data_2rsg_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 2rsg _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 ' 25' ' ' GLU . . . . . 0.886 ' HB3' ' HB2' ' A' ' 48' ' ' LYS . 1.7 pm0 . . . . . 0 N--CA 1.44 -0.927 0 CA-C-O 121.313 0.578 . . . . 73.540000000000006 111.626 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 3.7 tpm_? -92.73 109.21 20.63 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.69 -1.226 . . . . 65.450000000000003 107.69 165.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.582 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 4.8 p -117.45 113.28 21.82 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.965 -0.561 . . . . 65.439999999999998 109.863 -177.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -161.92 170.66 37.65 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.091 -1.052 . . . . 63.240000000000002 112.478 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.804 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 1.3 m -95.57 133.25 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.545 0.688 . . . . 72.200000000000003 111.49 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.475 HD21 ' HE ' ' A' ' 43' ' ' ARG . 54.5 tp -112.83 115.3 28.26 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.826 -1.079 . . . . 70.140000000000001 109.706 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.1 m -74.65 102.71 4.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.903 0.382 . . . . 74.219999999999999 110.689 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.4 tptt . . . . . 0 C--N 1.326 -0.45 0 N-CA-C 109.005 -0.739 . . . . 71.109999999999999 109.005 179.731 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 109.456 -0.572 . . . . 43.030000000000001 109.456 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.804 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 8.9 p-10 -89.05 108.28 19.5 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.518 0.675 . . . . 74.239999999999995 110.243 177.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.475 ' HE ' HD21 ' A' ' 30' ' ' LEU . 37.7 ptt180 -100.59 145.03 28.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.642 -0.708 . . . . 72.349999999999994 109.652 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.585 ' HE3' HG13 ' A' ' 29' ' ' VAL . 73.5 t-105 -92.25 120.24 32.62 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 120.512 -0.475 . . . . 73.150000000000006 110.793 -172.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.534 HG11 ' HB2' ' A' ' 54' ' ' TYR . 20.0 m -115.33 142.58 27.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 120.942 0.401 . . . . 74.530000000000001 110.848 -178.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.498 ' O ' HD13 ' A' ' 52' ' ' LEU . 79.3 t -133.62 120.67 38.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.196 -0.911 . . . . 74.0 110.54 -178.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.759 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 3.4 tm? -111.88 102.32 10.58 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.687 -0.486 . . . . 72.340000000000003 109.687 178.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.886 ' HB2' ' HB3' ' A' ' 25' ' ' GLU . 14.8 tptm -161.55 162.05 30.07 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.404 -0.221 . . . . 72.230000000000004 110.404 -173.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.582 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 14.8 m120 71.9 -68.2 0.23 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.88 0.872 . . . . 72.310000000000002 109.192 -174.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 2.8 t-20 174.35 22.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.58 -1.267 . . . . 74.430000000000007 107.58 168.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.24 152.9 49.17 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 114.862 -1.063 . . . . 75.409999999999997 109.925 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.581 ' HB2' HD23 ' A' ' 47' ' ' LEU . 63.0 tp -111.48 127.57 55.74 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.429 -0.805 . . . . 75.230000000000004 108.889 174.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.9 m -128.67 142.36 51.05 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 109.552 -0.536 . . . . 75.219999999999999 109.552 -175.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.638 ' HB3' ' HZ3' ' A' ' 95' ' ' TRP . 0.3 OUTLIER -132.96 146.65 51.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.581 0.705 . . . . 73.019999999999996 111.313 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -122.74 165.58 16.33 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.458 -1.246 . . . . 74.340000000000003 108.504 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -53.26 -46.04 69.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.938 0.347 . . . . 72.239999999999995 111.938 -176.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.9 p -153.7 -172.51 4.25 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.934 -0.395 . . . . 74.299999999999997 109.934 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.79 -14.43 45.06 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.567 0.542 . . . . 74.450000000000003 112.375 -172.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.548 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 6.5 t0 -75.04 -8.67 57.2 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 110.309 -0.256 . . . . 74.209999999999994 110.309 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.744 ' HG3' ' H ' ' A' ' 61' ' ' THR . 5.0 pt-20 26.12 -73.49 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 116.84 2.163 . . . . 72.099999999999994 116.84 172.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.744 ' H ' ' HG3' ' A' ' 60' ' ' GLU . 14.5 t -49.93 -41.21 45.69 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.585 0.958 . . . . 74.109999999999999 113.585 -167.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -81.74 -13.52 57.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.059 0.457 . . . . 63.509999999999998 111.054 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 59' ' ' ASP . 55.6 m-85 -87.46 -16.88 33.53 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.525 -0.546 . . . . 55.399999999999999 109.525 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.53 -84.05 1.6 Allowed Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.475 -0.784 . . . . 64.049999999999997 112.473 173.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.0 p -171.75 129.92 0.66 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.572 -0.529 . . . . 73.319999999999993 109.572 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.494 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 7.0 mmm180 -104.06 -34.55 8.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.096 0.474 . . . . 73.109999999999999 111.051 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -162.12 153.34 23.98 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.153 -0.779 . . . . 51.25 111.153 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.489 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 23.7 p -161.15 124.25 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.547 0.213 . . . . 71.019999999999996 110.564 -176.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.492 ' HB ' HG12 ' A' ' 90' ' ' VAL . 36.2 pt -121.14 156.32 24.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.37 -0.377 . . . . 72.109999999999999 111.152 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 52.3 m -97.72 121.62 39.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.76 -0.655 . . . . 74.239999999999995 110.451 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.728 HD11 ' HB1' ' A' ' 74' ' ' ALA . 4.4 mm? -84.16 56.41 3.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.094 0.473 . . . . 74.310000000000002 111.261 -176.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.9 m -109.65 -42.56 4.26 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.951 -0.568 . . . . 71.310000000000002 110.113 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.64 9.64 8.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.463 . . . . 73.400000000000006 110.741 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.728 ' HB1' HD11 ' A' ' 71' ' ' LEU . . . -73.1 109.21 6.46 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.613 -0.514 . . . . 74.450000000000003 109.613 175.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.9 t -80.4 126.52 39.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.089 -0.505 . . . . 61.240000000000002 111.065 -173.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.726 HD13 HD12 ' A' ' 112' ' ' ILE . 55.4 mt -77.75 96.63 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.058 -0.719 . . . . 74.040000000000006 109.058 174.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.7 m -96.77 115.8 65.83 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 116.11 -0.495 . . . . 61.340000000000003 111.063 -174.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.449 ' HA ' ' HD1' ' A' ' 86' ' ' PHE . 31.2 Cg_exo -60.26 126.02 19.02 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.473 2.116 . . . . 72.319999999999993 111.503 175.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -64.82 161.89 17.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.353 -0.385 . . . . 75.5 110.669 -176.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.44 -75.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.279 0.561 . . . . 74.340000000000003 111.488 -174.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -76.94 -16.4 59.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.528 -0.76 . . . . 75.310000000000002 111.772 -173.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.612 ' HB3' ' HB3' ' A' ' 85' ' ' ARG . 5.4 t70 -100.17 146.5 26.78 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.796 -0.362 . . . . 75.019999999999996 110.469 -175.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -97.06 -22.73 16.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.152 -0.476 . . . . 72.030000000000001 110.97 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 65.5 m -119.0 -1.01 11.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.568 -0.287 . . . . 75.109999999999999 111.556 -174.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.613 ' HG3' ' O ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -91.71 138.95 31.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.984 0.421 . . . . 65.200000000000003 110.501 176.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.449 ' HD1' ' HA ' ' A' ' 78' ' ' PRO . 80.4 m-85 -138.02 121.63 17.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.493 -0.776 . . . . 74.239999999999995 110.4 -174.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.73 112.78 24.84 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.054 -0.975 . . . . 64.319999999999993 109.823 -175.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.657 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 23.4 mm -83.83 108.27 16.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.588 -0.523 . . . . 74.010000000000005 109.588 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.9 p -112.0 120.89 43.42 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 112.766 0.654 . . . . 74.129999999999995 112.766 -173.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.551 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 14.7 p -153.19 134.45 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.309 -0.86 . . . . 72.549999999999997 109.007 173.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 61.45 23.04 13.36 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.967 0.413 . . . . 63.329999999999998 111.009 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.8 t70 70.09 4.41 4.82 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.075 -0.966 . . . . 71.349999999999994 111.32 -173.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.8 m -78.59 100.12 6.83 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.92 -0.77 . . . . 63.32 108.92 172.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.5 t -93.9 115.2 32.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.864 -0.607 . . . . 74.129999999999995 110.706 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.657 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 23.8 m95 -101.42 100.26 10.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.749 -0.66 . . . . 75.430000000000007 109.813 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -71.84 86.36 0.97 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.222 -0.445 . . . . 72.430000000000007 110.492 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.613 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 3.8 mm? -94.67 169.22 10.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.285 -0.635 . . . . 73.329999999999998 109.285 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.602 ' HG3' ' CA ' ' A' ' 85' ' ' ARG . 44.2 ttt-85 -156.98 149.81 23.63 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.706 -0.479 . . . . 63.299999999999997 109.706 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.42 124.1 19.32 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.832 -0.803 . . . . 51.420000000000002 108.832 171.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.487 ' H ' ' NE2' ' A' ' 100' ' ' GLN . 2.3 mp0 . . . . . 0 C--O 1.234 0.256 0 O-C-N 123.791 0.682 . . . . 73.209999999999994 111.597 -173.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 58.0 ttp180 . . . . . 0 C--O 1.235 0.306 0 CA-C-O 121.138 0.494 . . . . 74.530000000000001 110.469 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -63.84 -16.69 61.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.416 -0.811 . . . . 63.340000000000003 111.93 -173.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -60.96 -46.27 91.37 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 108.792 -0.818 . . . . 73.540000000000006 108.792 174.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 16.8 m95 -76.0 -41.77 50.12 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 114.967 -1.015 . . . . 73.549999999999997 109.299 -175.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 105' ' ' ARG . 34.1 mm -59.14 -58.5 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 115.116 -0.947 . . . . 73.239999999999995 109.957 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.24 -45.4 91.26 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.191 -0.459 . . . . 74.010000000000005 111.027 -178.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.0 -62.26 1.87 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.82 0.343 . . . . 71.549999999999997 110.967 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.726 HD12 HD13 ' A' ' 76' ' ' ILE . 46.8 mt -61.8 -43.25 97.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 CA-C-N 116.611 -0.268 . . . . 74.109999999999999 110.751 -176.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.74 -37.24 75.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.726 0.298 . . . . 75.319999999999993 111.802 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -85.94 -11.61 52.65 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.831 0.348 . . . . 74.200000000000003 111.214 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.49 ' HB3' ' O ' ' A' ' 49' ' ' ASN . 42.4 m-70 -95.5 -35.66 11.6 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.512 0.56 . . . . 74.530000000000001 112.512 176.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 168.83 18.75 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.267 0.556 . . . . 73.319999999999993 112.334 -168.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.232 -0.895 . . . . 74.140000000000001 109.684 176.078 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.618 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 2.8 pm0 . . . . . 0 N--CA 1.447 -0.617 0 CA-C-O 121.734 0.778 . . . . 71.129999999999995 111.691 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.664 ' HG2' ' CH2' ' A' ' 108' ' ' TRP . 5.9 tpm_? -121.69 116.51 24.68 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.582 -1.19 . . . . 70.230000000000004 109.621 175.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.478 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 5.1 p -117.82 114.76 23.75 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 108.89 -0.781 . . . . 74.319999999999993 108.89 175.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.72 166.16 38.86 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.217 -0.992 . . . . 62.409999999999997 112.306 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.467 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 2.5 m -90.72 131.43 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.756 0.789 . . . . 73.5 111.974 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.75 HD12 HD11 ' A' ' 97' ' ' LEU . 48.8 tp -97.81 116.59 30.34 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.619 -1.173 . . . . 75.420000000000002 109.536 176.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 9.2 p -83.46 107.02 15.67 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.919 -0.582 . . . . 65.420000000000002 109.874 176.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 tptp . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 116.162 -0.472 . . . . 73.420000000000002 110.564 -178.097 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.488 ' O ' ' HA ' ' A' ' 31' ' ' SER . 2.0 pt20 . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 109.008 -0.738 . . . . 60.329999999999998 109.008 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.467 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 8.0 p-10 -120.78 116.02 24.42 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.666 0.746 . . . . 73.129999999999995 109.878 177.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.565 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 4.3 ptp180 -109.51 139.61 44.3 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.897 -1.047 . . . . 70.230000000000004 109.658 -178.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.478 ' CZ2' ' HB2' ' A' ' 27' ' ' CYS . 71.7 t-105 -85.25 115.73 23.19 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.478 -0.489 . . . . 73.310000000000002 109.982 -174.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.614 HG23 ' HB2' ' A' ' 54' ' ' TYR . 96.6 t -114.64 131.5 66.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 120.959 0.409 . . . . 71.239999999999995 111.117 -173.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.545 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 49.2 t -122.45 125.86 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.271 -0.877 . . . . 74.150000000000006 110.715 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.672 HD21 HD12 ' A' ' 52' ' ' LEU . 3.2 tm? -125.42 110.81 14.38 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.374 -0.376 . . . . 74.219999999999999 110.32 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.618 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 14.5 tptm 177.26 163.06 0.51 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.919 -0.771 . . . . 72.209999999999994 108.919 -176.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.531 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 14.3 m120 69.65 14.21 8.19 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.699 0.4 . . . . 71.120000000000005 110.161 -176.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.812 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 3.0 t-20 70.79 5.58 5.5 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.484 -0.78 . . . . 72.109999999999999 109.668 -173.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.09 150.55 27.65 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.26 -0.882 . . . . 65.329999999999998 110.154 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.672 HD12 HD21 ' A' ' 47' ' ' LEU . 43.5 tp -122.7 127.86 49.81 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.598 -0.728 . . . . 64.329999999999998 109.308 176.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.571 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 10.1 p -141.96 124.79 16.06 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.596 -0.729 . . . . 73.420000000000002 110.39 -173.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.614 ' HB2' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -125.65 152.34 45.33 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.287 0.565 . . . . 64.519999999999996 110.645 178.482 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -128.2 160.26 32.64 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.275 -1.009 . . . . 74.329999999999998 108.275 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.553 ' HG2' ' HG3' ' A' ' 66' ' ' ARG . 13.2 mmmm -54.63 -42.69 71.53 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.347 0.499 . . . . 70.129999999999995 112.347 -176.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.524 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 15.9 m -144.96 177.47 8.73 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.296 -0.261 . . . . 72.340000000000003 110.296 -177.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.86 -24.54 66.98 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.417 0.448 . . . . 71.299999999999997 111.794 -176.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.609 ' OD1' ' HG2' ' A' ' 62' ' ' GLU . 5.2 t70 -51.34 -40.15 58.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.414 -0.357 . . . . 73.409999999999997 110.814 177.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 49.76 -46.94 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.351 1.861 . . . . 73.120000000000005 115.905 -176.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.8 t -58.86 -50.52 73.7 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.386 0.884 . . . . 72.120000000000005 113.386 -170.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.609 ' HG2' ' OD1' ' A' ' 59' ' ' ASP . 15.4 pt-20 -86.23 -15.91 39.36 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.424 -0.51 . . . . 71.340000000000003 111.03 -176.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.524 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 49.1 m-85 -82.07 -35.84 28.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.24 -0.437 . . . . 73.530000000000001 110.803 -179.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.08 170.89 39.71 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.506 -0.854 . . . . 74.450000000000003 112.239 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.1 p -72.59 104.55 3.91 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.516 0.674 . . . . 71.510000000000005 111.032 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.553 ' HG3' ' HG2' ' A' ' 56' ' ' LYS . 10.4 mmt180 -85.4 -21.88 28.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.27 -0.877 . . . . 61.32 110.184 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.571 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -149.29 112.91 0.58 Allowed Glycine 0 N--CA 1.439 -1.11 0 N-CA-C 110.597 -1.001 . . . . 72.450000000000003 110.597 175.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.8 p -129.22 110.62 12.13 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.185 0.517 . . . . 71.519999999999996 110.342 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.628 HD13 HD21 ' A' ' 52' ' ' LEU . 45.8 pt -129.15 176.61 7.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.713 -0.676 . . . . 64.299999999999997 110.62 -178.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.463 ' SG ' ' HD3' ' A' ' 73' ' ' LYS . 12.0 p -122.82 138.99 54.49 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.045 -0.525 . . . . 71.310000000000002 110.879 -178.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.645 ' HG ' HG12 ' A' ' 112' ' ' ILE . 4.0 mm? -90.79 14.76 12.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.859 -0.609 . . . . 73.439999999999998 110.098 177.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.9 t -66.13 -49.11 68.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.249 -0.887 . . . . 62.200000000000003 110.96 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.542 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -125.49 19.72 8.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.677 -0.692 . . . . 73.109999999999999 109.892 -176.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.63 150.39 43.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.305 -0.861 . . . . 60.229999999999997 111.608 -176.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.76 ' HB ' ' HG ' ' A' ' 89' ' ' SER . 47.4 t -104.83 109.6 28.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.948 -0.569 . . . . 74.400000000000006 110.105 176.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.424 HD13 HD11 ' A' ' 112' ' ' ILE . 60.0 mt -83.33 120.68 35.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.971 -0.559 . . . . 72.329999999999998 110.494 179.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.918 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 24.1 m -110.37 101.87 49.68 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 116.087 -0.506 . . . . 75.329999999999998 111.074 178.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.6 130.6 26.94 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.017 1.812 . . . . 70.329999999999998 111.151 175.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -68.97 150.68 47.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.188 0.518 . . . . 75.109999999999999 110.373 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.34 -58.15 3.4 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.416 -0.811 . . . . 75.349999999999994 111.49 -175.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -77.42 -9.13 58.69 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.492 0.553 . . . . 74.010000000000005 112.492 -176.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -128.74 142.04 51.13 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.432 -0.507 . . . . 73.420000000000002 111.142 -175.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -103.86 7.67 36.93 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.701 -0.682 . . . . 74.340000000000003 110.709 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 73.8 m -120.83 -26.49 5.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.454 -0.339 . . . . 74.239999999999995 111.313 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.53 ' CA ' ' HG3' ' A' ' 98' ' ' ARG . 63.6 ttt-85 -80.16 147.58 31.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.06 0.457 . . . . 73.329999999999998 111.525 -178.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -149.92 139.91 21.98 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.591 -0.731 . . . . 74.439999999999998 110.426 177.789 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.918 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 7.3 t70 -99.18 135.25 40.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.908 -1.042 . . . . 73.430000000000007 109.405 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.814 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 3.8 mp -114.85 96.64 4.79 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-N 116.209 -0.451 . . . . 74.140000000000001 109.882 -176.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.76 ' HG ' ' HB ' ' A' ' 75' ' ' VAL . 63.3 p -101.76 102.95 13.66 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 120.381 -0.527 . . . . 74.200000000000003 110.703 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.9 m -101.33 -172.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.889 -0.596 . . . . 72.530000000000001 109.782 176.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -36.5 -61.43 0.52 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 124.248 0.968 . . . . 74.530000000000001 112.814 -175.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -129.18 10.61 5.84 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.065 0.395 . . . . 74.219999999999999 112.065 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 t -136.54 129.42 30.9 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.567 -0.453 . . . . 75.329999999999998 111.222 -173.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.9 t -109.4 127.74 65.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.118 -0.492 . . . . 72.209999999999994 110.134 174.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.814 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 12.9 m95 -112.94 147.53 36.9 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.89 -0.595 . . . . 75.450000000000003 110.148 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -124.63 92.72 3.71 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.122 -0.695 . . . . 72.430000000000007 109.122 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.75 HD11 HD12 ' A' ' 30' ' ' LEU . 36.4 tp -119.57 171.43 8.37 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.811 -0.355 . . . . 61.140000000000001 110.259 -173.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.53 ' HG3' ' CA ' ' A' ' 85' ' ' ARG . 20.6 ttt180 -153.75 151.48 29.65 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.46 -0.571 . . . . 71.439999999999998 109.46 -177.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.7 144.68 47.6 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.998 -0.371 . . . . 72.25 109.998 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.54 ' H ' ' NE2' ' A' ' 100' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 115.729 -0.668 . . . . 72.150000000000006 110.304 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.518 ' HB2' ' CD1' ' A' ' 108' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.449 0 CA-C-O 120.723 0.297 . . . . 72.519999999999996 111.463 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -66.66 -10.98 51.76 Favored 'General case' 0 N--CA 1.46 0.071 0 CA-C-N 116.595 -0.275 . . . . 75.409999999999997 110.511 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -51.51 -50.11 60.6 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.283 -0.636 . . . . 72.230000000000004 109.283 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.664 ' CH2' ' HG2' ' A' ' 26' ' ' ARG . 7.9 m95 -73.16 -44.53 59.85 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.17 -0.923 . . . . 74.549999999999997 109.256 -176.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 39.0 mm -54.45 -59.83 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.191 -0.913 . . . . 72.299999999999997 110.054 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -54.9 -53.55 54.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.526 . . . . 74.340000000000003 111.079 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.75 -60.72 2.98 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.308 0.575 . . . . 64.409999999999997 111.137 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.645 HG12 ' HG ' ' A' ' 71' ' ' LEU . 31.7 mt -63.49 -53.16 48.75 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-N 116.239 -0.437 . . . . 63.43 111.118 -174.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -52.76 -44.01 66.19 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.749 0.277 . . . . 75.209999999999994 111.749 -177.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -74.85 -30.06 61.24 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.805 0.298 . . . . 71.420000000000002 111.805 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.812 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 89.6 m-70 -96.82 -20.54 18.11 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 114.139 1.163 . . . . 70.109999999999999 114.139 -173.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.427 ' HB3' HD22 ' A' ' 50' ' ' ASN . 1.2 pptt? -82.23 170.8 15.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 118.328 0.513 . . . . 73.129999999999995 111.822 -175.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.253 1.265 0 CA-C-N 115.534 -0.757 . . . . 73.010000000000005 109.77 176.557 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.711 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 1.6 pm0 . . . . . 0 N--CA 1.439 -1.017 0 CA-C-O 121.663 0.744 . . . . 51.200000000000003 111.656 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.673 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 2.2 tpm_? -106.93 111.07 23.4 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 114.831 -1.077 . . . . 72.340000000000003 108.232 170.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.589 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 3.1 p -123.33 107.59 11.81 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 123.498 0.499 . . . . 74.120000000000005 110.275 -177.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.18 171.18 35.66 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.456 -0.878 . . . . 36.609999999999999 112.479 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.531 HG12 ' HE3' ' A' ' 44' ' ' TRP . 0.8 OUTLIER -88.91 133.2 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.671 0.748 . . . . 74.439999999999998 111.514 -179.851 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.626 HD23 HD22 ' A' ' 97' ' ' LEU . 53.1 tp -115.84 122.25 44.84 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.673 -1.149 . . . . 62.43 109.772 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 p -76.87 99.71 5.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.985 -0.552 . . . . 55.130000000000003 109.998 176.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? . . . . . 0 C--N 1.325 -0.5 0 CA-C-N 116.29 -0.414 . . . . 74.120000000000005 110.875 -177.052 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.46 HE21 ' HB2' ' A' ' 41' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.52 0 N-CA-C 108.939 -0.763 . . . . 63.439999999999998 108.939 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -94.86 98.58 10.83 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.446 -0.575 . . . . 73.239999999999995 109.446 177.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.518 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 10.4 ptp180 -97.43 150.28 21.21 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.857 -0.61 . . . . 64.439999999999998 110.01 -176.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.531 ' HE3' HG12 ' A' ' 29' ' ' VAL . 68.2 t-105 -97.18 110.94 23.39 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.304 -0.559 . . . . 63.43 110.291 -174.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.589 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 18.4 m -109.02 145.21 16.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 C-N-CA 120.8 -0.36 . . . . 60.409999999999997 110.804 -174.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.673 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 57.0 t -133.27 122.81 45.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.464 -0.789 . . . . 70.329999999999998 111.071 -177.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.711 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 5.3 tt -113.01 105.45 13.5 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.904 -0.406 . . . . 73.329999999999998 109.904 177.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.557 ' HB2' ' HB3' ' A' ' 25' ' ' GLU . 15.3 tptt -164.54 151.5 11.28 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.515 -0.55 . . . . 72.530000000000001 109.515 -178.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.471 ' OD1' ' HG3' ' A' ' 48' ' ' LYS . 16.4 m120 64.34 19.63 11.86 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 122.81 0.444 . . . . 54.240000000000002 110.447 -173.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.645 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 16.3 t-20 64.81 18.0 11.25 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.364 -0.835 . . . . 73.25 109.848 -175.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.92 126.1 53.45 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.159 -0.928 . . . . 74.450000000000003 109.344 175.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.63 ' HB2' HD23 ' A' ' 71' ' ' LEU . 53.7 tp -101.66 125.78 48.38 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.95 -0.759 . . . . 74.239999999999995 108.95 176.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.9 m -131.19 167.44 19.16 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.503 -0.771 . . . . 73.299999999999997 109.099 -175.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.417 ' HA ' ' O ' ' A' ' 44' ' ' TRP . 2.4 p90 -148.82 154.41 39.48 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.048 -0.661 . . . . 71.340000000000003 111.2 177.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.472 ' CD1' ' HD1' ' A' ' 44' ' ' TRP . 9.5 m-85 -124.66 163.62 21.63 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.832 -1.077 . . . . 75.329999999999998 108.319 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -60.65 -28.77 68.83 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.111 0.412 . . . . 43.200000000000003 112.111 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.431 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 22.0 t -168.93 -170.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.452 -0.573 . . . . 71.230000000000004 109.452 178.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -67.57 -20.07 65.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.064 -0.516 . . . . 73.540000000000006 111.013 -174.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.407 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 7.6 t0 -81.73 49.71 1.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.803 0.811 . . . . 74.510000000000005 109.488 176.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -49.18 -23.83 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.834 -1.076 . . . . 71.329999999999998 112.061 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -41.54 70.64 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.419 0.525 . . . . 74.129999999999995 112.419 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -106.58 -24.81 12.06 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.576 -0.45 . . . . 61.520000000000003 111.627 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.431 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 32.0 m-85 -75.09 -38.74 61.14 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.84 -0.344 . . . . 75.310000000000002 111.636 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.47 162.94 7.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.852 -0.69 . . . . 63.43 112.526 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.8 t -62.82 124.23 20.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.183 0.516 . . . . 75.019999999999996 110.323 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.495 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 4.3 mmm180 -98.82 -20.52 16.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.768 -0.651 . . . . 74.129999999999995 111.404 -175.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -175.4 152.46 13.43 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.901 -0.88 . . . . 63.329999999999998 110.901 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.463 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 17.1 p -151.53 153.22 34.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.925 0.363 . . . . 74.209999999999994 111.389 -176.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 22.3 pt -142.05 161.21 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.768 -0.651 . . . . 73.230000000000004 110.38 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 55.6 m -98.31 139.43 34.09 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.862 -0.421 . . . . 74.319999999999993 109.862 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.63 HD23 ' HB2' ' A' ' 52' ' ' LEU . 4.2 mm? -87.87 -0.32 56.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.724 0.638 . . . . 75.430000000000007 112.724 -172.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -68.54 -59.05 3.42 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.972 -0.291 . . . . 44.119999999999997 110.762 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -93.4 19.85 7.84 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.99 0.367 . . . . 72.120000000000005 111.99 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.64 123.13 32.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.729 0.299 . . . . 73.209999999999994 110.284 177.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.411 ' HB ' ' HG ' ' A' ' 89' ' ' SER . 61.9 t -83.06 117.42 28.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.431 -0.35 . . . . 71.329999999999998 110.89 -177.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.6 mt -83.75 110.26 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 65.310000000000002 110.151 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.8 m -118.4 118.82 33.6 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 116.299 -0.41 . . . . 73.099999999999994 110.373 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -57.31 128.8 31.03 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.069 1.846 . . . . 63.409999999999997 111.414 176.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -70.87 145.94 49.93 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.272 -0.64 . . . . 75.230000000000004 109.272 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -75.36 -57.27 3.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.08 0.467 . . . . 74.239999999999995 110.985 -174.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -68.31 -22.2 64.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.526 -0.761 . . . . 71.430000000000007 111.525 -176.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.847 ' HB2' ' HB3' ' A' ' 85' ' ' ARG . 32.1 m-20 -128.55 117.35 21.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.465 -0.334 . . . . 53.530000000000001 110.57 -176.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -75.41 -24.66 57.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.074 0.464 . . . . 75.310000000000002 111.134 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 80.8 m -96.67 3.22 52.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.346 -0.388 . . . . 54.119999999999997 111.005 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.847 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 2.1 ttp180 -104.37 137.28 42.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.327 -0.397 . . . . 73.319999999999993 110.298 178.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.52 ' CE1' ' HG3' ' A' ' 105' ' ' ARG . 23.3 m-85 -122.85 128.09 49.91 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.513 0.673 . . . . 74.549999999999997 111.429 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -90.4 115.56 27.67 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.556 -1.202 . . . . 54.100000000000001 109.664 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.743 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 39.9 mm -100.22 95.61 4.24 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 115.367 -0.833 . . . . 74.120000000000005 109.687 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.411 ' HG ' ' HB ' ' A' ' 75' ' ' VAL . 80.6 p -103.29 107.96 18.99 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 120.109 -0.636 . . . . 72.25 111.139 -177.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.749 HG21 ' H ' ' A' ' 91' ' ' ASN . 6.3 p -116.04 -173.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 107.741 -1.207 . . . . 71.319999999999993 107.741 172.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.749 ' H ' HG21 ' A' ' 90' ' ' VAL . 7.3 m-20 -50.25 105.06 0.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 122.51 0.324 . . . . 70.310000000000002 111.249 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.5 t70 72.2 -20.08 0.26 Allowed 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.11 0.781 . . . . 62.340000000000003 113.11 173.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.535 ' HB3' ' HE1' ' A' ' 95' ' ' TRP . 33.6 m -107.99 114.05 27.69 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.741 -0.6 . . . . 73.409999999999997 111.134 -175.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.9 t -110.22 117.98 55.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.039 -0.528 . . . . 74.219999999999999 109.679 176.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.743 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 28.8 m95 -111.09 109.01 18.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.819 0.342 . . . . 65.319999999999993 110.898 -174.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.503 ' HB3' ' HD2' ' A' ' 85' ' ' ARG . 80.0 m-85 -85.3 78.8 9.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.248 -0.433 . . . . 71.25 110.575 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.626 HD22 HD23 ' A' ' 30' ' ' LEU . 88.4 mt -81.69 161.04 23.54 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.877 -0.416 . . . . 70.150000000000006 109.877 -177.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.492 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 5.2 ttm-85 -137.72 151.55 48.32 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.406 -0.59 . . . . 74.430000000000007 109.406 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.57 -174.53 0.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.487 0.492 . . . . 72.420000000000002 110.808 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 73.040000000000006 110.156 -178.461 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.52 ' HG3' ' CE1' ' A' ' 86' ' ' PHE . 31.6 ttm180 . . . . . 0 C--O 1.239 0.513 0 CA-C-O 121.803 0.811 . . . . 70.230000000000004 109.454 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -61.0 -9.58 4.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.346 -1.297 . . . . 72.420000000000002 112.052 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -54.42 -45.28 72.94 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.947 -0.39 . . . . 70.200000000000003 109.947 174.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.494 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 13.1 m95 -74.85 -40.21 61.13 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 115.741 -0.663 . . . . 75.200000000000003 109.695 -175.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.3 mm -60.71 -56.8 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 115.306 -0.861 . . . . 61.409999999999997 109.495 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -56.49 -49.11 75.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.76 -0.654 . . . . 73.140000000000001 110.913 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.494 ' HB1' HD22 ' A' ' 47' ' ' LEU . . . -55.9 -58.8 6.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 71.340000000000003 111.298 -179.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.508 HG21 ' HB3' ' A' ' 71' ' ' LEU . 43.6 mt -67.44 -51.15 55.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.604 -0.271 . . . . 73.319999999999993 111.24 -174.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 65.2 mm-40 -51.96 -45.41 64.38 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 111.722 0.267 . . . . 63.539999999999999 111.722 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -77.84 -28.51 50.15 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.973 0.36 . . . . 71.540000000000006 111.973 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.645 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 7.2 m-70 -86.64 -24.0 25.47 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.603 0.594 . . . . 73.319999999999993 112.603 -177.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 113' ' ' GLU . 0.9 OUTLIER -71.2 171.0 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.159 0.504 . . . . 72.409999999999997 111.815 -173.003 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 32.8 p . . . . . 0 C--O 1.249 1.034 0 CA-C-N 115.646 -0.706 . . . . 72.409999999999997 110.502 -178.727 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.6 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 6.3 pm0 . . . . . 0 N--CA 1.443 -0.792 0 CA-C-O 121.891 0.853 . . . . 72.439999999999998 111.564 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.54 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -123.32 110.5 15.26 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 114.938 -1.028 . . . . 64.140000000000001 109.028 175.197 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.499 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 6.2 p -120.79 108.08 13.51 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.086 -0.506 . . . . 42.240000000000002 110.03 -177.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.82 169.84 38.91 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.783 -0.722 . . . . 54.409999999999997 111.807 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.823 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 2.4 m -90.57 132.26 35.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.674 0.749 . . . . 72.230000000000004 111.941 -178.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.3 tp -107.43 120.4 42.07 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.655 -1.157 . . . . 72.409999999999997 109.204 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -78.9 100.15 7.09 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.873 -0.603 . . . . 72.340000000000003 110.944 -177.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HD2' ' HA ' ' A' ' 32' ' ' LYS . 31.5 tptt . . . . . 0 C--N 1.328 -0.354 0 C-N-CA 121.059 -0.256 . . . . 72.129999999999995 110.318 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.307 -0.627 . . . . 74.010000000000005 109.307 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.823 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 6.1 m-20 -91.32 102.98 15.68 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.309 -0.626 . . . . 75.099999999999994 109.309 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.459 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 38.1 ptt180 -95.32 146.83 24.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.689 -0.687 . . . . 74.349999999999994 110.247 -176.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.539 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 70.1 t-105 -89.89 112.92 24.43 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.724 -0.39 . . . . 75.239999999999995 110.809 -171.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 17.2 m -110.36 143.12 20.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.997 0.427 . . . . 73.430000000000007 111.029 -176.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.54 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 73.8 t -132.87 114.09 21.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.192 -0.913 . . . . 63.229999999999997 110.406 -178.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.571 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 4.2 tt -112.97 111.63 22.51 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.023 -0.362 . . . . 75.310000000000002 110.023 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.6 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 5.6 tptt -172.97 154.99 2.97 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.358 -0.608 . . . . 74.219999999999999 109.358 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 58.9 24.76 12.86 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.845 0.458 . . . . 70.239999999999995 111.584 -175.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.734 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 4.5 t-20 71.66 10.22 6.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.292 -0.867 . . . . 72.109999999999999 110.798 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.19 139.09 50.23 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.565 -0.743 . . . . 51.149999999999999 109.859 176.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.564 HD23 HD11 ' A' ' 69' ' ' ILE . 60.8 tp -119.01 129.45 55.14 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.228 -0.656 . . . . 74.239999999999995 109.228 175.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.8 m -140.15 148.62 41.91 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 116.254 -0.43 . . . . 72.319999999999993 109.926 -176.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.539 ' HA ' ' O ' ' A' ' 44' ' ' TRP . 2.1 p90 -130.98 154.15 48.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.5 0.667 . . . . 74.329999999999998 110.96 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.526 ' HD2' ' HD1' ' A' ' 44' ' ' TRP . 21.7 m-85 -127.35 171.21 11.71 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.853 -1.067 . . . . 73.200000000000003 108.526 -177.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 29.3 mmmt -58.74 -73.61 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.786 0.662 . . . . 73.230000000000004 112.786 -176.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.535 ' O ' ' HB2' ' A' ' 44' ' ' TRP . 6.1 p -105.82 -85.58 0.49 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.721 0.296 . . . . 52.109999999999999 111.561 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -153.95 -28.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.157 -0.474 . . . . 74.439999999999998 110.066 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.518 ' HB3' ' HE2' ' A' ' 63' ' ' TYR . 4.6 t70 -38.14 -48.08 1.21 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.048 -0.978 . . . . 63.340000000000003 112.157 175.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 39.02 22.15 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.961 1.467 . . . . 74.310000000000002 114.961 -177.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 t -108.63 -31.91 7.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 119.125 0.875 . . . . 73.150000000000006 111.118 -176.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -109.3 -9.65 14.97 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.557 -0.457 . . . . 64.150000000000006 111.344 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.518 ' HE2' ' HB3' ' A' ' 59' ' ' ASP . 47.4 m-85 -85.52 -11.34 54.4 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.469 -0.332 . . . . 73.310000000000002 111.234 -177.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.442 ' O ' ' HE1' ' A' ' 55' ' ' TYR . . . 70.47 -82.18 0.38 Allowed Glycine 0 C--O 1.227 -0.289 0 CA-C-N 116.131 -0.486 . . . . 44.119999999999997 112.446 178.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.4 p -175.34 113.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.176 0.591 . . . . 55.020000000000003 109.481 177.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.483 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 3.0 mmm180 -81.44 -27.1 34.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.226 0.536 . . . . 73.439999999999998 110.735 -175.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.416 ' HA3' ' CD1' ' A' ' 54' ' ' TYR . . . -143.77 154.96 25.92 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 110.598 -1.001 . . . . 70.109999999999999 110.598 176.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.9 p -164.63 110.39 0.98 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.078 0.466 . . . . 75.519999999999996 110.793 -176.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.573 ' HB ' HG13 ' A' ' 90' ' ' VAL . 43.3 pt -124.56 160.04 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.037 -0.528 . . . . 73.409999999999997 110.424 178.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 80.2 m -115.0 131.97 56.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.935 -0.575 . . . . 74.310000000000002 110.264 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.662 ' HG ' HG12 ' A' ' 112' ' ' ILE . 4.3 mm? -75.3 8.53 2.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 73.349999999999994 111.712 -176.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.5 m -66.49 -38.16 86.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 71.109999999999999 110.91 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.485 ' HE2' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -132.15 16.64 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.22 0.533 . . . . 61.100000000000001 110.847 178.743 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.734 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -84.22 107.95 16.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.896 -0.593 . . . . 72.439999999999998 109.824 177.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 50.2 t -71.45 125.34 29.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.888 -0.596 . . . . 74.420000000000002 110.707 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.428 HD11 HD11 ' A' ' 112' ' ' ILE . 44.3 mt -86.18 100.76 9.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.774 -0.648 . . . . 73.549999999999997 109.887 176.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.5 m -92.53 113.16 58.62 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 110.156 -0.313 . . . . 74.530000000000001 110.156 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.509 ' HA ' ' CD1' ' A' ' 86' ' ' PHE . 21.3 Cg_exo -64.82 130.99 27.64 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.435 2.09 . . . . 71.219999999999999 111.44 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -70.98 151.08 45.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.418 -0.586 . . . . 75.140000000000001 109.418 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -77.81 -63.36 1.4 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.842 0.353 . . . . 55.109999999999999 111.567 -174.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -72.13 -35.77 69.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.077 -0.51 . . . . 73.349999999999994 111.489 -178.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.49 131.67 35.41 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.984 -0.553 . . . . 74.329999999999998 111.622 -173.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -84.19 -37.0 22.41 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.319 -0.855 . . . . 75.340000000000003 110.016 176.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 56.9 m -96.37 18.41 13.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.4 -0.818 . . . . 74.340000000000003 111.732 -174.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.719 ' HB2' ' HG3' ' A' ' 98' ' ' ARG . 32.1 ttt180 -121.41 146.56 46.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.505 0.669 . . . . 72.219999999999999 111.921 -178.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.598 ' HD2' ' HD1' ' A' ' 108' ' ' TRP . 8.9 m-85 -141.57 125.78 17.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.59 -1.186 . . . . 75.540000000000006 110.131 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.425 ' OD2' ' HD1' ' A' ' 96' ' ' TYR . 8.4 m-20 -96.28 103.82 15.75 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.928 -0.578 . . . . 75.209999999999994 109.615 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 26.0 mm -78.17 141.99 14.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.904 -0.589 . . . . 73.219999999999999 109.539 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.8 p -143.55 112.53 6.66 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.969 -0.692 . . . . 72.209999999999994 112.055 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.734 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 7.3 p -145.88 130.75 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 72.109999999999999 110.224 177.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.444 ' O ' ' HB2' ' A' ' 92' ' ' ASP . 51.7 m-80 58.21 26.91 14.39 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.942 0.401 . . . . 65.420000000000002 111.164 -176.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 91' ' ' ASN . 86.4 m-20 72.45 1.37 3.94 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.191 -0.913 . . . . 74.140000000000001 112.386 -175.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.6 m -79.03 99.95 7.11 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.667 -0.864 . . . . 71.0 108.667 171.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.527 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 48.0 t -97.37 118.71 44.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.87 -0.604 . . . . 62.219999999999999 110.416 -177.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.536 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 17.6 m95 -108.52 101.48 10.64 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.868 -0.605 . . . . 73.409999999999997 109.799 -177.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.425 ' HD1' ' OD2' ' A' ' 87' ' ' ASP . 6.6 m-85 -73.32 84.15 1.42 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.418 -0.586 . . . . 74.540000000000006 109.418 177.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.556 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 24.5 tp -100.59 142.71 31.68 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.228 -0.286 . . . . 72.400000000000006 110.228 -169.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.719 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 18.2 ttp180 -143.0 154.44 44.01 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.024 -0.362 . . . . 72.319999999999993 110.024 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.86 136.97 57.08 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.133 -0.321 . . . . 64.409999999999997 110.133 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.494 ' H ' ' NE2' ' A' ' 100' ' ' GLN . 2.0 mp0 . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.103 -0.499 . . . . 54.399999999999999 111.407 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.596 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 3.6 ppt_? . . . . . 0 C--O 1.236 0.344 0 CA-C-O 121.121 0.486 . . . . 75.540000000000006 111.225 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -55.87 -25.62 43.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.461 -0.79 . . . . 74.319999999999993 111.607 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -57.95 -40.83 81.5 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.039 0.447 . . . . 73.239999999999995 110.041 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.598 ' HD1' ' HD2' ' A' ' 86' ' ' PHE . 9.1 m95 -76.1 -42.72 46.27 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 109.114 -0.699 . . . . 73.25 109.114 -176.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 33.2 mm -59.35 -53.68 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 115.091 -0.959 . . . . 75.430000000000007 109.987 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 114' ' ' GLN . 6.1 t70 -56.9 -47.4 80.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.692 -0.685 . . . . 73.329999999999998 110.645 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.76 -61.7 2.19 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.553 0.692 . . . . 71.319999999999993 110.962 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.662 HG12 ' HG ' ' A' ' 71' ' ' LEU . 30.4 mt -67.39 -47.21 81.68 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 115.917 -0.583 . . . . 74.230000000000004 111.779 -172.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.744 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 72.6 mm-40 -56.13 -44.61 79.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 54.119999999999997 111.16 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 2.6 mp0 -76.46 -16.24 59.71 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.474 -0.491 . . . . 75.129999999999995 111.657 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.734 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 94.4 m-70 -111.89 6.85 19.78 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 114.145 1.165 . . . . 73.319999999999993 114.145 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.744 ' HE2' ' O ' ' A' ' 113' ' ' GLU . 28.3 mtmt -49.97 166.99 0.06 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 122.196 0.998 . . . . 73.120000000000005 112.898 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.312 -1.044 0 CA-C-N 114.363 -1.289 . . . . 73.140000000000001 110.848 -166.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 121.223 0.535 . . . . 65.530000000000001 110.372 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.548 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 4.4 tpm_? -128.56 120.79 27.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.744 -0.662 . . . . 75.329999999999998 109.979 178.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.0 p -139.04 109.51 6.55 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.761 -0.654 . . . . 63.310000000000002 109.307 172.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.28 175.84 41.67 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.384 -0.912 . . . . 75.219999999999999 112.2 -177.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.468 HG12 ' HE3' ' A' ' 44' ' ' TRP . 1.9 m -92.76 132.57 36.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.493 0.663 . . . . 70.239999999999995 111.742 -178.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.51 HD11 ' N ' ' A' ' 31' ' ' SER . 1.9 tm? -105.83 130.74 53.74 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.058 -0.974 . . . . 73.409999999999997 108.76 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.51 ' N ' HD11 ' A' ' 30' ' ' LEU . 1.1 p -95.64 88.95 5.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.862 -0.608 . . . . 71.540000000000006 110.951 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.467 ' HE3' ' CE2' ' A' ' 96' ' ' TYR . 27.4 tptp . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.233 -0.44 . . . . 75.049999999999997 110.884 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 . . . . . 0 CA--C 1.51 -0.578 0 N-CA-C 109.689 -0.486 . . . . 73.140000000000001 109.689 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -103.9 112.57 25.6 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.68 0.752 . . . . 71.310000000000002 110.334 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -116.0 148.9 39.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.187 -0.915 . . . . 62.409999999999997 109.618 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.468 ' HE3' HG12 ' A' ' 29' ' ' VAL . 67.7 t-105 -90.78 111.66 23.13 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.942 -0.392 . . . . 75.109999999999999 109.942 -175.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 p -110.25 142.71 21.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-O 121.213 0.53 . . . . 72.439999999999998 110.714 -175.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.548 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 37.8 t -136.22 130.93 48.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.25 -0.886 . . . . 74.319999999999993 110.92 -175.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.9 tt -115.11 125.41 53.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.859 -0.793 . . . . 75.230000000000004 108.859 175.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -164.51 163.59 22.0 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 110.509 -0.182 . . . . 75.219999999999999 110.509 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.55 ' O ' ' HB3' ' A' ' 115' ' ' HIS . 13.5 m120 64.5 -90.81 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.011 0.524 . . . . 72.430000000000007 110.061 -178.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.509 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 2.8 t-20 -162.01 36.46 0.12 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 106.246 -1.761 . . . . 74.230000000000004 106.246 164.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -134.82 158.27 44.64 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 113.826 -1.534 . . . . 63.5 110.187 -176.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 46' ' ' VAL . 31.5 tp -121.74 130.45 53.44 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.563 -0.744 . . . . 74.230000000000004 109.157 177.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.9 m -129.4 157.95 40.52 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.901 -0.591 . . . . 65.329999999999998 109.46 -176.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.602 ' HB3' ' HZ3' ' A' ' 95' ' ' TRP . 1.2 p90 -146.73 155.78 42.66 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.183 -0.607 . . . . 72.340000000000003 110.382 176.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.41 ' HD2' ' O ' ' A' ' 64' ' ' GLY . 10.3 m-85 -130.63 163.74 26.5 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.264 -1.013 . . . . 70.239999999999995 108.264 -177.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -55.19 -47.68 74.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.842 0.354 . . . . 71.219999999999999 111.193 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.4 m -156.55 -167.27 2.35 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.651 -0.499 . . . . 65.329999999999998 109.651 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.445 ' C ' ' H ' ' A' ' 60' ' ' GLU . 35.1 tt0 -63.86 -21.38 66.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.812 0.339 . . . . 70.230000000000004 110.665 -176.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.476 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 5.5 m-20 -74.14 42.1 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.079 0.466 . . . . 72.030000000000001 110.672 176.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -60.83 -21.58 63.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.904 -0.589 . . . . 73.420000000000002 111.055 -178.811 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.73 -34.54 62.62 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.745 -1.116 . . . . 72.310000000000002 111.783 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -114.62 -24.36 8.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.361 -0.381 . . . . 73.239999999999995 111.195 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.476 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 8.3 m-85 -69.23 -39.73 78.35 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 121.023 -0.271 . . . . 75.109999999999999 111.418 -178.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.41 ' O ' ' HD2' ' A' ' 55' ' ' TYR . . . 75.65 170.43 28.6 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.53 -0.843 . . . . 61.119999999999997 111.516 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.7 p -69.7 118.82 13.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.378 0.609 . . . . 64.409999999999997 110.742 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.498 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 12.7 mmm180 -81.48 -34.63 31.24 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.612 -0.722 . . . . 71.439999999999998 110.228 178.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.58 148.98 21.01 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.012 -0.995 . . . . 72.530000000000001 110.988 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.6 t -154.78 106.99 2.73 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.844 -0.428 . . . . 63.409999999999997 109.844 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.584 ' HB ' HG11 ' A' ' 90' ' ' VAL . 26.8 pt -111.49 156.14 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.922 0.392 . . . . 74.5 111.324 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 57.1 m -94.79 121.48 36.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.527 -0.761 . . . . 75.219999999999999 110.055 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.806 HD23 HG12 ' A' ' 112' ' ' ILE . 6.6 mp -86.24 16.66 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.065 0.46 . . . . 64.120000000000005 110.936 -176.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.1 m -64.97 -45.95 83.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.805 -0.634 . . . . 72.120000000000005 110.727 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.24 15.75 5.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.38 -0.373 . . . . 75.200000000000003 111.39 -178.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.29 130.45 43.37 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.289 -0.414 . . . . 73.420000000000002 110.464 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.7 t -85.76 114.19 25.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.212 -0.449 . . . . 74.150000000000006 110.478 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.494 HG21 ' HD2' ' A' ' 86' ' ' PHE . 50.5 mt -81.36 99.35 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.364 -0.606 . . . . 71.400000000000006 109.364 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.421 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 14.6 m -102.43 113.14 66.02 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.125 -0.489 . . . . 73.219999999999999 110.953 -174.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 77' ' ' THR . 13.9 Cg_endo -57.58 130.93 41.37 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.118 1.879 . . . . 63.539999999999999 110.892 175.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -63.02 -24.53 67.96 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.25 -0.278 . . . . 71.430000000000007 110.25 -178.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.1 t70 73.28 -56.82 0.65 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.895 0.878 . . . . 71.239999999999995 111.845 171.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -66.9 -18.58 65.45 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.006 -0.738 . . . . 74.310000000000002 109.006 173.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -119.17 141.85 48.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.071 -0.968 . . . . 71.400000000000006 108.835 173.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -95.33 -16.01 22.7 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.135 -0.484 . . . . 75.209999999999994 110.694 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 65.7 m -116.04 -0.58 12.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.087 -0.506 . . . . 71.439999999999998 111.435 -174.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.536 ' HB2' ' HG3' ' A' ' 98' ' ' ARG . 56.8 ttm-85 -111.19 140.18 45.96 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.475 0.655 . . . . 72.340000000000003 111.846 176.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.494 ' HD2' HG21 ' A' ' 76' ' ' ILE . 10.1 m-85 -131.7 130.67 42.29 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.905 -1.043 . . . . 64.340000000000003 109.983 176.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.485 ' HA ' ' O ' ' A' ' 95' ' ' TRP . 1.4 m-20 -94.99 125.69 39.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.125 -0.489 . . . . 72.439999999999998 110.032 -178.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.77 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 33.1 mm -98.17 103.49 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.586 -0.279 . . . . 73.409999999999997 110.438 -178.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.3 m -106.25 114.34 28.4 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 121.223 0.535 . . . . 71.430000000000007 111.556 -176.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.584 HG11 ' HB ' ' A' ' 69' ' ' ILE . 14.8 p -140.09 128.56 26.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.05 -0.722 . . . . 61.409999999999997 109.05 174.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.414 HD21 HG23 ' A' ' 90' ' ' VAL . 50.9 m-80 61.31 22.63 12.97 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.466 0.174 . . . . 53.130000000000003 111.247 -176.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.8 t70 75.28 2.31 3.86 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 123.817 0.698 . . . . 64.239999999999995 111.601 -175.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 48.9 m -82.65 99.75 9.78 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.948 -0.76 . . . . 74.109999999999999 108.948 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 40.0 t -89.6 124.3 42.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.805 -0.634 . . . . 74.409999999999997 111.082 -175.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.77 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 25.3 m95 -109.21 165.03 11.92 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.653 -0.703 . . . . 73.420000000000002 109.24 177.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.467 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 2.4 m-85 -133.67 96.16 3.63 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.773 -0.371 . . . . 74.120000000000005 110.428 -176.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.7 mt -100.44 121.19 41.13 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.027 -0.36 . . . . 73.209999999999994 110.027 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.536 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 2.0 ttp180 -114.65 167.21 10.95 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.936 -0.394 . . . . 73.129999999999995 109.936 -178.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.532 ' HB3' ' NE ' ' A' ' 105' ' ' ARG . . . -76.47 129.95 37.26 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.207 -0.451 . . . . 74.129999999999995 110.735 176.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 N-CA-C 107.943 -1.132 . . . . 71.530000000000001 107.943 173.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.793 ' NE ' ' HA ' ' A' ' 105' ' ' ARG . 3.9 mmp_? . . . . . 0 C--O 1.237 0.416 0 CA-C-O 121.624 0.726 . . . . 73.329999999999998 111.977 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -61.55 -18.29 58.57 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.378 -1.283 . . . . 72.120000000000005 110.68 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -53.96 -43.46 69.93 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.412 -0.813 . . . . 72.409999999999997 110.315 177.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.721 ' HE1' ' HD3' ' A' ' 105' ' ' ARG . 14.0 m95 -75.46 -40.68 57.12 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.819 -0.628 . . . . 72.129999999999995 109.581 -175.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 29.7 mm -55.92 -56.86 10.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.339 -0.846 . . . . 73.530000000000001 109.417 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -55.89 -51.33 67.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.633 -0.712 . . . . 71.450000000000003 111.064 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.0 -53.87 51.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.338 -0.392 . . . . 71.239999999999995 111.708 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.806 HG12 HD23 ' A' ' 71' ' ' LEU . 45.7 mt -70.89 -44.91 75.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.678 -0.237 . . . . 74.209999999999994 111.423 -174.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.46 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 23.3 mm-40 -64.33 -28.63 69.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 73.150000000000006 111.049 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -89.73 -16.98 29.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.715 0.293 . . . . 63.0 111.289 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.55 ' HB3' ' O ' ' A' ' 49' ' ' ASN . 10.1 m-70 -97.81 -0.28 45.48 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.193 0.442 . . . . 74.239999999999995 112.193 175.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.98 ' HE2' ' HA ' ' A' ' 116' ' ' LYS . 8.1 mmpt? -40.57 133.04 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.434 0.901 . . . . 75.030000000000001 113.434 177.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.249 1.055 0 CA-C-N 114.443 -1.253 . . . . 61.399999999999999 109.079 177.647 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.635 ' HG2' ' HA ' ' A' ' 48' ' ' LYS . 4.6 mm-40 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 121.16 0.505 . . . . 74.230000000000004 110.559 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.471 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 5.2 tpm_? -163.69 127.12 2.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.803 -0.635 . . . . 63.350000000000001 109.529 176.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.4 p -143.78 110.12 5.45 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.884 -0.413 . . . . 74.329999999999998 109.884 174.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.29 172.03 44.85 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.289 -0.958 . . . . 73.109999999999999 112.138 -178.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.438 HG13 ' HE3' ' A' ' 44' ' ' TRP . 3.3 m -84.88 130.18 36.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.663 0.744 . . . . 70.129999999999995 111.116 179.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.417 HD22 ' O ' ' A' ' 96' ' ' TYR . 45.0 tp -114.92 135.29 54.37 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.862 -1.063 . . . . 63.130000000000003 109.366 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.3 m -89.31 114.16 25.52 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.057 0.456 . . . . 73.450000000000003 111.007 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HE3' ' CD1' ' A' ' 96' ' ' TYR . 25.2 tptp . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 109.487 -0.56 . . . . 74.040000000000006 109.487 177.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 109.801 -0.444 . . . . 71.120000000000005 109.801 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -102.0 123.51 46.01 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.403 -0.592 . . . . 73.140000000000001 109.403 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.608 ' HD2' ' CE2' ' A' ' 54' ' ' TYR . 27.0 ptt180 -127.07 149.02 50.12 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.782 -0.645 . . . . 74.519999999999996 110.525 -174.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.438 ' HE3' HG13 ' A' ' 29' ' ' VAL . 68.3 t-105 -88.16 113.29 23.64 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.838 0.352 . . . . 70.340000000000003 110.261 -176.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.0 t -109.08 131.69 59.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 116.004 -0.544 . . . . 75.400000000000006 111.17 -174.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.54 ' O ' HD13 ' A' ' 52' ' ' LEU . 31.0 t -129.08 122.79 57.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-N 115.39 -0.823 . . . . 64.010000000000005 111.162 -179.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 48' ' ' LYS . 5.9 tt -116.66 130.83 56.96 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.995 -0.743 . . . . 74.049999999999997 108.995 176.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.635 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 52.1 pttt 179.74 161.79 0.9 Allowed 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.347 0.404 . . . . 71.25 110.876 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 56.28 32.6 20.69 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.512 0.507 . . . . 74.230000000000004 112.06 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.546 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 3.4 t-20 63.41 23.24 13.63 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.78 0.8 . . . . 65.409999999999997 110.263 -178.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.13 163.33 27.91 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.294 -0.866 . . . . 74.340000000000003 110.48 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.699 HD23 HD13 ' A' ' 69' ' ' ILE . 64.6 tp -140.48 134.76 31.15 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.305 -0.628 . . . . 73.0 109.305 177.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 49.6 m -149.45 145.95 27.18 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.331 -0.395 . . . . 73.299999999999997 109.992 -177.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.608 ' CE2' ' HD2' ' A' ' 43' ' ' ARG . 1.7 p90 -133.44 156.54 47.52 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.389 0.614 . . . . 75.310000000000002 110.917 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.43 ' CD1' ' HB3' ' A' ' 60' ' ' GLU . 4.1 m-85 -137.16 -179.71 5.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.091 -0.959 . . . . 72.439999999999998 109.616 -171.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -72.75 -38.0 67.5 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.196 0.443 . . . . 62.5 112.196 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.488 ' HB3' ' HE2' ' A' ' 63' ' ' TYR . 8.6 t -162.01 -168.58 1.95 Allowed 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.791 -0.364 . . . . 63.240000000000002 110.533 -176.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.75 -24.19 67.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.854 -0.612 . . . . 72.099999999999994 112.102 -172.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.425 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 9.8 m-20 -81.64 42.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.163 0.506 . . . . 73.040000000000006 110.79 176.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.43 ' HB3' ' CD1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -46.86 -33.39 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.118 -0.946 . . . . 72.400000000000006 113.336 -178.56 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.1 t -58.0 -26.86 62.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.233 0.456 . . . . 74.450000000000003 112.233 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -113.37 1.66 15.2 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.513 -0.475 . . . . 64.319999999999993 111.265 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.488 ' HE2' ' HB3' ' A' ' 57' ' ' SER . 16.3 m-85 -99.39 6.06 46.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.208 0.527 . . . . 74.219999999999999 110.528 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.83 -112.58 4.84 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.269 -0.878 . . . . 71.120000000000005 112.482 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.5 p -163.56 116.94 1.52 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.14 -0.689 . . . . 75.349999999999994 109.14 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 -90.99 -8.64 48.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.693 0.758 . . . . 75.430000000000007 109.89 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -172.92 129.51 1.71 Allowed Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 114.711 -1.131 . . . . 63.439999999999998 110.51 176.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.7 t -142.91 129.45 20.18 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.751 0.31 . . . . 73.129999999999995 110.286 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.699 HD13 HD23 ' A' ' 52' ' ' LEU . 16.5 pt -134.43 156.29 40.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.932 -0.577 . . . . 64.409999999999997 111.003 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 99.3 m -104.99 125.88 51.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.009 -0.541 . . . . 51.439999999999998 110.018 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.971 HD23 HG12 ' A' ' 112' ' ' ILE . 6.3 mp -82.9 10.54 7.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.763 -0.653 . . . . 73.109999999999999 111.734 -171.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.9 t -83.73 -13.12 54.76 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.851 -0.425 . . . . 72.040000000000006 109.851 174.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.4 22.25 2.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.215 0.531 . . . . 74.219999999999999 110.287 175.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.957 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -92.59 106.6 18.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.704 -0.68 . . . . 61.009999999999998 110.288 179.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.2 t -81.41 123.25 37.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.91 -0.587 . . . . 71.420000000000002 110.538 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.596 HD11 HD11 ' A' ' 112' ' ' ILE . 59.8 mt -81.96 106.18 12.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.011 -0.541 . . . . 71.409999999999997 110.691 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 90.3 m -94.07 124.15 57.01 Favored Pre-proline 0 C--N 1.317 -0.823 0 CA-C-N 115.816 -0.629 . . . . 74.310000000000002 109.702 176.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 16.7 Cg_exo -66.78 135.68 39.19 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.29 1.993 . . . . 74.319999999999993 111.52 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.525 ' HD2' ' N ' ' A' ' 81' ' ' PHE . 30.2 p-80 -44.44 161.53 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.343 0.592 . . . . 75.140000000000001 112.233 172.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -107.58 -6.93 16.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.959 -0.564 . . . . 71.299999999999997 109.977 174.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.525 ' N ' ' HD2' ' A' ' 79' ' ' HIS . 0.4 OUTLIER -152.13 -56.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.789 0.662 . . . . 74.25 112.789 -171.562 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.58 ' HB3' ' CB ' ' A' ' 85' ' ' ARG . 13.7 t70 -65.92 130.0 41.73 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 120.939 0.399 . . . . 71.5 111.686 -171.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -65.58 -22.59 66.7 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.698 -0.683 . . . . 75.049999999999997 112.06 -172.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 59.4 m -119.89 0.92 10.93 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.85 -0.34 . . . . 72.530000000000001 111.842 -175.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.58 ' CB ' ' HB3' ' A' ' 82' ' ' ASP . 20.9 ttm180 -84.19 142.94 29.96 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.762 0.792 . . . . 72.340000000000003 112.849 -176.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.537 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 7.5 m-85 -138.7 118.07 12.83 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.154 -1.385 . . . . 74.400000000000006 108.556 166.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -88.41 121.19 30.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.562 -0.745 . . . . 62.530000000000001 110.195 -173.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.771 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 31.8 mm -91.25 139.84 17.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.799 -0.445 . . . . 54.539999999999999 109.799 -179.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.7 p -133.74 114.57 13.57 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.388 0.613 . . . . 70.109999999999999 110.798 176.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.957 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 1.9 p -158.3 134.65 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.546 -0.752 . . . . 73.239999999999995 109.926 -177.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 59.66 26.88 16.02 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.059 0.456 . . . . 73.409999999999997 110.773 -178.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.5 t70 65.45 11.31 7.28 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.012 -0.994 . . . . 60.32 111.287 -175.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.3 m -96.87 113.23 24.76 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.371 -0.603 . . . . 62.210000000000001 109.371 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 48.6 t -94.1 123.36 46.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.157 0.503 . . . . 73.420000000000002 110.458 -178.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.771 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 28.6 m95 -111.08 155.74 22.36 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.687 -0.688 . . . . 71.030000000000001 109.906 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.461 ' CD1' ' HE3' ' A' ' 32' ' ' LYS . 41.8 m-85 -123.82 92.83 3.76 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 109.699 -0.482 . . . . 71.219999999999999 109.699 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.403 HD21 HG12 ' A' ' 88' ' ' ILE . 4.6 mm? -90.9 148.77 22.24 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.835 -0.432 . . . . 74.430000000000007 109.835 -178.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -140.19 136.23 33.22 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.097 -0.501 . . . . 74.120000000000005 110.159 -177.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.33 172.48 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.548 -0.296 . . . . 74.129999999999995 110.446 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 75.099999999999994 111.243 -176.427 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.63 HH11 HG13 ' A' ' 109' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.238 0.459 0 CA-C-O 121.076 0.465 . . . . 72.109999999999999 110.826 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -50.55 -19.67 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.265 -0.879 . . . . 65.430000000000007 112.658 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -49.62 -49.8 45.51 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-O 120.969 0.414 . . . . 71.109999999999999 110.689 176.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.43 ' O ' HG13 ' A' ' 112' ' ' ILE . 10.6 m95 -70.02 -46.16 65.68 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.752 -0.658 . . . . 74.230000000000004 109.805 -174.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.63 HG13 HH11 ' A' ' 105' ' ' ARG . 17.6 mm -59.79 -58.63 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.149 -0.932 . . . . 73.340000000000003 110.085 -177.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -55.48 -49.4 72.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.64 -0.709 . . . . 72.120000000000005 111.112 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.51 -59.49 4.38 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.216 -0.447 . . . . 60.530000000000001 111.041 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.971 HG12 HD23 ' A' ' 71' ' ' LEU . 19.8 mt -67.68 -48.79 74.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.686 -0.406 . . . . 75.329999999999998 111.346 -174.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -54.25 -41.82 69.22 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.874 0.369 . . . . 72.010000000000005 111.898 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -83.48 -26.98 29.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.254 -0.43 . . . . 74.230000000000004 111.861 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 16.6 m-70 -91.5 -23.96 19.8 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.108 0.781 . . . . 72.549999999999997 113.108 -176.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.477 ' HE3' ' O ' ' A' ' 116' ' ' LYS . 0.9 OUTLIER -69.56 152.46 44.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.133 0.492 . . . . 73.129999999999995 110.634 -177.455 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 37.6 p . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.789 -0.624 . . . . 72.340000000000003 110.495 -179.311 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.244 0.545 . . . . 72.329999999999998 109.921 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 3.0 tpm_? -154.62 129.22 9.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.602 -0.727 . . . . 73.430000000000007 109.782 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 12.6 p -139.67 115.34 10.07 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.47 -0.567 . . . . 55.420000000000002 109.47 174.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -162.83 176.43 39.12 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.551 -0.833 . . . . 71.099999999999994 111.972 -178.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.1 m -88.95 137.46 21.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.627 0.727 . . . . 72.519999999999996 111.441 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.1 tp -116.79 131.44 56.95 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.95 -1.023 . . . . 74.430000000000007 109.361 176.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 p -99.06 113.74 26.09 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.105 -0.498 . . . . 52.43 110.699 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HD2' ' HA ' ' A' ' 32' ' ' LYS . 36.0 tptt . . . . . 0 C--N 1.326 -0.447 0 N-CA-C 109.505 -0.554 . . . . 75.519999999999996 109.505 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.476 ' HB3' HH21 ' A' ' 43' ' ' ARG . 16.4 tt0 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 120.909 0.385 . . . . 71.25 110.07 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -86.82 151.54 23.27 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.085 -0.709 . . . . 70.109999999999999 109.085 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.546 ' HB2' ' HD1' ' A' ' 54' ' ' TYR . 3.0 ptp180 -147.48 142.74 27.27 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.996 -0.547 . . . . 71.340000000000003 109.592 175.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.646 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 68.7 t-105 -89.01 110.7 21.36 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.627 -0.429 . . . . 74.219999999999999 110.043 -174.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 18.6 m -105.2 138.33 30.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-O 121.11 0.481 . . . . 72.519999999999996 110.476 -176.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.512 HG13 ' HB2' ' A' ' 53' ' ' SER . 7.1 p -139.06 126.44 25.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.712 -0.676 . . . . 72.510000000000005 110.317 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.409 HD21 ' N ' ' A' ' 48' ' ' LYS . 5.9 tt -106.31 129.54 54.31 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.075 -0.713 . . . . 74.409999999999997 109.075 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.48 ' HG3' HD21 ' A' ' 49' ' ' ASN . 52.6 tptt -173.27 146.11 1.38 Allowed 'General case' 0 C--N 1.333 -0.135 0 O-C-N 123.253 0.346 . . . . 74.120000000000005 110.234 -178.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.48 HD21 ' HG3' ' A' ' 48' ' ' LYS . 35.7 m-80 59.84 27.11 16.38 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.141 0.423 . . . . 64.310000000000002 112.141 178.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.447 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 2.8 t-20 73.68 3.59 4.54 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.363 0.665 . . . . 75.239999999999995 110.712 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.18 148.74 29.48 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.561 -0.745 . . . . 74.219999999999999 109.742 177.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.42 ' HB2' HD21 ' A' ' 71' ' ' LEU . 43.8 tp -119.76 131.45 55.35 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 109.65 -0.5 . . . . 75.140000000000001 109.65 178.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.512 ' HB2' HG13 ' A' ' 46' ' ' VAL . 75.8 m -127.13 155.88 42.64 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.48 -0.782 . . . . 71.150000000000006 110.205 -172.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.646 ' HA ' ' O ' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -148.38 148.11 29.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.367 0.603 . . . . 72.230000000000004 110.885 172.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -121.35 171.74 8.54 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.928 -1.033 . . . . 61.43 109.263 -178.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.489 ' HD2' ' CD1' ' A' ' 63' ' ' TYR . 95.7 mttt -60.39 -36.3 77.77 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.372 0.42 . . . . 74.510000000000005 111.087 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.7 t -167.91 -164.6 0.57 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.008 -0.738 . . . . 54.240000000000002 109.008 175.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -69.36 -32.55 71.67 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.244 0.34 . . . . 71.0 111.601 -171.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -78.57 54.88 1.54 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.875 0.845 . . . . 71.420000000000002 109.569 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HA ' ' HB2' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -51.33 -20.19 1.61 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.226 -1.352 . . . . 74.049999999999997 112.496 178.398 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -47.18 64.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.96 -0.564 . . . . 74.409999999999997 112.238 178.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -100.67 -0.81 36.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.014 0.435 . . . . 55.140000000000001 110.892 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.489 ' CD1' ' HD2' ' A' ' 56' ' ' LYS . 16.9 m-85 -99.86 -8.74 23.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.224 -0.443 . . . . 74.150000000000006 111.343 -176.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.16 -91.15 0.19 Allowed Glycine 0 C--N 1.331 0.305 0 O-C-N 123.549 0.531 . . . . 73.299999999999997 112.704 173.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.8 p -167.68 149.87 5.72 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.584 -0.525 . . . . 70.0 109.584 176.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.497 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 11.3 mmm180 -119.08 -46.66 2.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.204 0.526 . . . . 72.219999999999999 111.373 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -144.48 145.46 14.97 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.323 -0.942 . . . . 74.239999999999995 112.462 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.2 p -149.39 113.72 5.24 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.92 -0.4 . . . . 62.210000000000001 109.92 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 44.8 pt -116.16 164.24 12.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.086 -0.506 . . . . 74.129999999999995 110.927 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.1 m -109.45 126.7 53.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.823 -0.626 . . . . 75.400000000000006 110.103 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.44 ' HG ' HG12 ' A' ' 112' ' ' ILE . 4.1 mm? -73.14 10.16 1.03 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.292 -0.413 . . . . 75.549999999999997 111.883 -177.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 p -73.9 -58.42 3.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.266 -0.425 . . . . 74.310000000000002 111.111 178.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.94 -6.29 22.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.335 -0.393 . . . . 65.230000000000004 111.199 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.31 112.94 8.81 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.768 -0.456 . . . . 74.310000000000002 109.768 176.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 69.3 t -77.05 124.71 35.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.146 -0.479 . . . . 64.319999999999993 111.423 -173.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.449 HD11 HD11 ' A' ' 112' ' ' ILE . 47.0 mt -79.96 100.04 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.678 -0.692 . . . . 75.120000000000005 109.601 173.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.41 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 18.0 m -101.09 107.8 51.71 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 116.053 -0.522 . . . . 74.329999999999998 109.856 177.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 77' ' ' THR . 18.8 Cg_endo -59.47 130.15 34.36 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.261 1.974 . . . . 52.329999999999998 110.885 176.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.423 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 18.7 t60 -75.32 138.69 41.97 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.507 -0.553 . . . . 74.209999999999994 109.507 -178.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -85.17 -44.49 12.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.084 0.469 . . . . 73.400000000000006 110.727 -174.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -71.27 -31.74 67.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.722 -0.672 . . . . 75.439999999999998 110.463 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.423 ' H ' ' HD2' ' A' ' 79' ' ' HIS . 1.5 m-20 -115.0 108.33 16.55 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.598 -0.728 . . . . 64.420000000000002 109.687 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.56 -37.59 71.06 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.282 0.563 . . . . 71.310000000000002 110.046 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 31.5 m -82.19 12.55 4.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.594 -0.73 . . . . 70.010000000000005 111.353 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.72 ' HD3' ' HB3' ' A' ' 96' ' ' TYR . 30.7 ttm-85 -120.6 141.69 50.09 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.407 0.623 . . . . 71.120000000000005 111.248 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -127.78 131.91 49.56 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.156 -0.929 . . . . 73.019999999999996 109.422 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.492 ' OD1' HG23 ' A' ' 94' ' ' VAL . 17.5 t70 -104.32 132.93 50.03 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.717 -0.674 . . . . 72.209999999999994 110.8 -175.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.715 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 32.2 mm -111.9 101.51 12.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 CA-C-N 116.046 -0.525 . . . . 74.140000000000001 110.198 -178.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.1 p -108.23 118.57 37.11 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 120.803 0.335 . . . . 73.239999999999995 111.411 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.7 p -132.45 123.82 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.32 -0.622 . . . . 71.310000000000002 109.32 174.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.9 p30 43.59 -78.62 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.734 1.214 . . . . 64.340000000000003 113.759 -169.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -126.07 -18.27 5.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.314 0.578 . . . . 74.530000000000001 110.62 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.482 ' HB3' ' HE1' ' A' ' 95' ' ' TRP . 18.7 m -80.09 117.17 20.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.45 -0.795 . . . . 70.299999999999997 110.005 -177.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.492 HG23 ' OD1' ' A' ' 87' ' ' ASP . 9.8 p -124.05 121.9 63.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.416 0.627 . . . . 72.109999999999999 110.163 -176.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.715 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 17.6 m95 -118.66 100.97 7.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.102 -0.499 . . . . 73.439999999999998 111.41 -168.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.72 ' HB3' ' HD3' ' A' ' 85' ' ' ARG . 33.4 m-85 -87.75 80.6 7.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.424 -0.353 . . . . 70.319999999999993 111.162 -178.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -89.25 142.83 27.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 75.040000000000006 110.955 -175.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.493 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 0.5 OUTLIER -121.45 155.76 34.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.451 -0.341 . . . . 75.230000000000004 110.675 -178.072 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.482 ' O ' ' HG2' ' A' ' 100' ' ' GLN . . . -79.87 49.5 1.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 75.519999999999996 111.338 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 99' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.775 0 C-N-CA 124.983 1.313 . . . . 75.329999999999998 113.01 -176.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 . . . . . 0 C--O 1.244 0.808 0 CA-C-O 121.37 0.605 . . . . 74.420000000000002 111.323 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -62.94 -11.01 15.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.318 -0.855 . . . . 71.109999999999999 110.87 -172.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -53.22 -45.84 68.82 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.277 -0.42 . . . . 71.230000000000004 110.203 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -72.92 -41.3 64.7 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.138 -0.69 . . . . 75.040000000000006 109.138 -176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.8 mm -59.12 -56.67 15.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.218 -0.901 . . . . 74.340000000000003 110.229 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -62.11 -47.88 82.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.564 -0.744 . . . . 74.5 111.103 -176.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.04 -58.47 7.76 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.434 0.635 . . . . 72.549999999999997 110.847 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.449 HD11 HD11 ' A' ' 76' ' ' ILE . 43.7 mt -66.11 -45.53 90.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.825 -0.625 . . . . 71.530000000000001 111.162 -174.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.482 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 4.9 mm-40 -58.05 -39.58 78.82 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.45 0.537 . . . . 73.120000000000005 112.45 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -81.09 -20.33 41.75 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 120.645 -0.422 . . . . 62.420000000000002 111.471 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 22.7 m-70 -101.74 -18.65 15.71 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 114.266 1.21 . . . . 63.149999999999999 114.266 -178.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.567 ' HD2' ' C ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -67.33 160.52 27.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.303 0.573 . . . . 62.439999999999998 112.093 -172.495 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 C--O 1.252 1.193 0 CA-C-N 115.385 -0.825 . . . . 72.209999999999994 110.021 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.618 -0.512 . . . . 73.010000000000005 109.618 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.14 117.68 22.03 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.271 -0.422 . . . . 72.439999999999998 109.934 174.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 p -132.25 118.43 19.49 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.296 -0.631 . . . . 72.209999999999994 109.296 175.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.33 -177.72 39.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.091 -1.052 . . . . 71.450000000000003 112.493 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.671 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 0.4 OUTLIER -97.91 134.97 34.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.385 0.612 . . . . 63.329999999999998 111.893 -179.531 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.455 HD22 ' HE ' ' A' ' 43' ' ' ARG . 61.4 tp -114.07 116.24 28.84 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.054 -0.975 . . . . 71.439999999999998 109.585 177.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 p -80.3 106.73 12.54 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.235 -0.439 . . . . 71.129999999999995 111.044 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.602 ' HE2' ' CD1' ' A' ' 96' ' ' TYR . 6.1 tmtm? . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.48 -0.327 . . . . 74.25 110.244 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 . . . . . 0 CA--C 1.508 -0.655 0 CA-C-O 121.199 0.523 . . . . 74.319999999999993 110.939 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.671 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 12.4 p-10 -92.24 95.88 9.97 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.046 -0.979 . . . . 75.040000000000006 109.249 175.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.496 ' HD2' ' CD2' ' A' ' 54' ' ' TYR . 33.0 ptt180 -89.94 152.34 21.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.323 -0.853 . . . . 71.129999999999995 109.786 -175.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -92.43 113.44 25.72 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.188 -0.605 . . . . 74.109999999999999 110.328 -173.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 29.0 m -109.71 140.37 28.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.232 0.539 . . . . 72.430000000000007 110.674 -177.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.454 ' O ' HD12 ' A' ' 52' ' ' LEU . 40.1 t -133.54 123.38 46.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.043 -0.98 . . . . 44.219999999999999 111.086 -176.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.2 tt -108.8 119.03 38.33 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.361 -0.977 . . . . 64.010000000000005 108.361 173.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -160.48 157.37 27.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.99 -0.096 . . . . 64.319999999999993 110.899 -175.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.611 ' O ' ' HB3' ' A' ' 115' ' ' HIS . 88.9 m-20 65.94 -78.77 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.238 0.615 . . . . 74.409999999999997 110.979 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.469 ' OD1' ' HA ' ' A' ' 116' ' ' LYS . 3.7 t-20 -174.73 33.4 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.223 -1.769 . . . . 74.209999999999994 106.223 171.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.09 150.31 46.75 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 113.811 -1.54 . . . . 55.240000000000002 110.295 -176.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' A' ' 68' ' ' SER . 56.9 tp -116.65 131.16 57.02 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.669 -0.696 . . . . 70.430000000000007 109.148 176.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.0 m -137.39 159.45 41.89 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.745 -0.465 . . . . 61.5 109.745 -177.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.623 ' HB3' ' HZ3' ' A' ' 95' ' ' TRP . 1.5 p90 -143.83 154.96 43.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.315 0.579 . . . . 74.310000000000002 110.701 176.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.424 ' CD2' ' HB3' ' A' ' 60' ' ' GLU . 11.6 m-85 -130.17 165.52 22.16 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.249 -0.887 . . . . 73.439999999999998 109.213 -176.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.79 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . 8.5 mmpt? -59.2 -35.34 73.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.268 -0.424 . . . . 72.319999999999993 111.349 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.664 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 11.0 t -163.95 -161.86 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.448 -0.575 . . . . 71.030000000000001 109.448 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 43.4 tt0 -72.16 -29.63 64.2 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 122.713 0.405 . . . . 63.020000000000003 111.545 -170.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -77.14 52.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.735 0.778 . . . . 74.450000000000003 109.781 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.424 ' HB3' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -44.07 -38.82 3.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.456 -1.247 . . . . 72.310000000000002 114.304 -179.275 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.0 t -66.71 -30.46 70.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.82 0.343 . . . . 72.140000000000001 111.564 -177.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -85.7 -32.13 22.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.349 0.595 . . . . 73.129999999999995 110.184 178.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.664 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 29.1 m-85 -87.18 -28.93 22.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.462 -0.79 . . . . 70.239999999999995 112.073 -172.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.26 153.23 8.62 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.043 -0.598 . . . . 74.109999999999999 112.411 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.5 p -69.09 101.03 1.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.464 0.649 . . . . 72.450000000000003 110.066 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.511 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 5.2 mmm180 -71.84 -30.56 65.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.317 -0.856 . . . . 74.450000000000003 110.649 -174.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -150.4 150.37 22.38 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.305 -1.118 . . . . 62.310000000000002 110.305 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 12.2 p -164.73 125.14 2.0 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.847 0.324 . . . . 74.329999999999998 110.947 -176.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 34.2 pt -128.47 155.87 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.947 0.404 . . . . 72.109999999999999 111.281 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 57.4 m -89.89 126.38 35.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.741 -0.663 . . . . 65.129999999999995 110.488 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.885 HD12 HG12 ' A' ' 112' ' ' ILE . 92.6 mt -82.18 46.7 1.05 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.799 -0.637 . . . . 74.540000000000006 111.464 -176.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.2 t -109.77 -37.73 5.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.299 0.571 . . . . 45.530000000000001 110.096 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -123.72 18.66 9.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.601 -0.727 . . . . 75.329999999999998 109.545 -179.435 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.26 109.05 20.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.246 -0.888 . . . . 71.120000000000005 109.68 178.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t -82.98 135.47 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.0 0.429 . . . . 74.140000000000001 111.14 -175.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.675 HD11 HD12 ' A' ' 112' ' ' ILE . 41.7 mt -87.04 99.77 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.692 -0.686 . . . . 74.519999999999996 109.832 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.6 m -105.61 118.96 54.17 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.275 -0.42 . . . . 74.310000000000002 110.992 -177.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.2 129.41 31.48 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.343 2.029 . . . . 60.420000000000002 111.464 176.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.481 ' HB2' ' HG2' ' A' ' 85' ' ' ARG . 13.1 t60 -70.14 147.58 49.74 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.989 -0.374 . . . . 74.439999999999998 109.989 -176.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -70.24 -55.99 7.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.207 -0.452 . . . . 74.299999999999997 111.793 -173.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -90.01 -6.29 55.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.43 0.633 . . . . 75.329999999999998 110.803 -175.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.635 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . 4.8 m-20 -125.76 112.78 16.46 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.711 -0.677 . . . . 74.219999999999999 110.288 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -75.4 -41.14 56.87 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.199 0.523 . . . . 65.230000000000004 110.734 -176.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 69.4 m -82.74 -4.23 57.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.91 -0.586 . . . . 74.420000000000002 110.804 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.638 ' HG3' ' O ' ' A' ' 97' ' ' LEU . 21.0 ttm180 -99.22 143.11 29.85 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.487 0.661 . . . . 75.099999999999994 110.697 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -134.59 123.37 23.72 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.663 -1.153 . . . . 75.340000000000003 110.213 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.425 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 45.8 m-20 -87.05 107.43 18.43 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.002 -0.999 . . . . 74.439999999999998 109.788 -178.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.864 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 34.0 mm -79.15 98.0 2.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.095 -0.706 . . . . 74.530000000000001 109.095 176.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.8 p -104.53 106.44 16.93 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-O 121.526 0.679 . . . . 74.129999999999995 112.177 -171.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.672 HG23 ' H ' ' A' ' 91' ' ' ASN . 5.2 p -104.29 -173.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 106.998 -1.482 . . . . 75.349999999999994 106.998 169.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.672 ' H ' HG23 ' A' ' 90' ' ' VAL . 5.0 m-80 -53.05 103.04 0.06 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.393 0.542 . . . . 73.409999999999997 111.09 -178.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.6 t70 75.03 -25.32 0.2 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.903 0.881 . . . . 73.209999999999994 112.883 174.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.559 ' HB2' HG11 ' A' ' 90' ' ' VAL . 20.2 m -96.07 110.02 22.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.934 0.397 . . . . 74.340000000000003 111.026 -176.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.425 ' CG1' ' HB3' ' A' ' 87' ' ' ASP . 45.3 t -106.64 122.63 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.138 0.494 . . . . 72.099999999999994 110.156 177.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.864 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 29.8 m95 -104.22 98.04 7.91 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.003 -0.544 . . . . 72.540000000000006 110.592 -178.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.602 ' CD1' ' HE2' ' A' ' 32' ' ' LYS . 1.8 m-85 -74.18 75.93 1.79 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.819 -0.628 . . . . 71.239999999999995 110.216 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.638 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 15.9 tp -89.1 166.93 13.54 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.429 -0.952 . . . . 72.540000000000006 108.429 -176.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.496 ' HA ' ' HA ' ' A' ' 85' ' ' ARG . 6.2 ttm180 -152.91 145.71 24.39 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.8 -0.76 . . . . 70.25 110.938 -176.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -79.1 128.84 33.79 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.971 -0.752 . . . . 75.310000000000002 108.971 172.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.493 ' CD ' ' H ' ' A' ' 100' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 123.734 0.646 . . . . 74.040000000000006 112.54 -175.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 . . . . . 0 N--CA 1.469 0.516 0 N-CA-C 112.594 0.591 . . . . 74.530000000000001 112.594 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -55.56 -23.98 29.95 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.191 0.812 . . . . 64.540000000000006 113.191 -171.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -58.04 -47.43 83.12 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.288 0.566 . . . . 72.420000000000002 110.184 177.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -76.43 -41.17 48.52 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 115.271 -0.877 . . . . 73.420000000000002 109.56 -174.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.9 mm -57.7 -56.7 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-N 115.114 -0.948 . . . . 73.299999999999997 109.578 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -55.38 -50.76 68.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.947 -0.569 . . . . 75.099999999999994 111.084 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.09 -60.74 2.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.416 0.626 . . . . 72.209999999999994 111.521 -178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.885 HG12 HD12 ' A' ' 71' ' ' LEU . 20.0 mt -69.31 -44.92 80.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.091 -0.504 . . . . 70.230000000000004 111.187 -174.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.575 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 5.6 mm-40 -61.43 -29.75 70.14 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.779 0.323 . . . . 72.200000000000003 111.774 -178.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -85.09 -29.08 25.17 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.761 -0.376 . . . . 73.540000000000006 110.802 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.611 ' HB3' ' O ' ' A' ' 49' ' ' ASN . 8.0 m-70 -93.63 -23.24 18.34 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 114.801 1.408 . . . . 74.430000000000007 114.801 -174.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.575 ' HE2' ' O ' ' A' ' 113' ' ' GLU . 0.0 OUTLIER -67.97 157.9 34.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.135 0.493 . . . . 65.219999999999999 111.768 -174.805 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.1 p . . . . . 0 C--O 1.247 0.922 0 CA-C-N 115.505 -0.77 . . . . 62.140000000000001 110.326 -177.754 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.69 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 1.7 pm0 . . . . . 0 N--CA 1.44 -0.96 0 CA-C-O 121.553 0.692 . . . . 74.120000000000005 110.743 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.528 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 1.4 tpm_? -94.76 111.14 22.94 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.899 -1.046 . . . . 71.519999999999996 108.535 174.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.51 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 15.1 p -120.74 108.05 13.51 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 109.4 -0.593 . . . . 74.519999999999996 109.4 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.82 165.92 35.34 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 119.92 -1.133 . . . . 74.230000000000004 112.839 -176.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.608 HG12 ' HE3' ' A' ' 44' ' ' TRP . 1.3 m -91.77 133.47 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.517 0.675 . . . . 72.120000000000005 111.34 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 56.8 tp -109.67 118.16 35.81 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.812 -1.086 . . . . 72.049999999999997 109.296 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.7 p -81.36 107.09 13.85 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.212 0.53 . . . . 74.439999999999998 110.542 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.3 tptp . . . . . 0 C--N 1.326 -0.432 0 N-CA-C 109.109 -0.701 . . . . 73.239999999999995 109.109 -179.6 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.541 0 N-CA-C 109.318 -0.623 . . . . 74.430000000000007 109.318 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.514 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 10.8 p-10 -103.26 98.68 8.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.614 -0.721 . . . . 62.509999999999998 109.992 178.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.587 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 13.3 ptp180 -90.85 139.76 30.44 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.557 -0.747 . . . . 71.219999999999999 110.4 -176.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.608 ' HE3' HG12 ' A' ' 29' ' ' VAL . 69.6 t-105 -92.5 112.27 24.15 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 120.33 -0.548 . . . . 70.219999999999999 110.498 -175.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 21.4 m -106.3 143.03 17.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.995 0.426 . . . . 70.150000000000006 110.509 -176.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.555 ' O ' HD13 ' A' ' 52' ' ' LEU . 84.8 t -129.96 116.82 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.975 -1.011 . . . . 75.409999999999997 110.454 -178.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.69 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 3.5 tm? -117.81 113.13 21.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.061 -0.518 . . . . 73.409999999999997 110.156 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.596 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 13.6 tptm -174.82 154.21 1.87 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.169 -0.678 . . . . 62.100000000000001 109.169 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 67.84 21.35 9.1 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.007 0.432 . . . . 73.230000000000004 110.444 176.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 69.27 14.29 8.57 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.146 -0.934 . . . . 71.099999999999994 110.237 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.55 155.49 30.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.981 -0.554 . . . . 72.340000000000003 110.243 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 46' ' ' VAL . 60.5 tp -138.28 134.47 34.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.831 -0.622 . . . . 74.299999999999997 109.558 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.7 m -148.01 152.27 37.15 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.444 -0.344 . . . . 74.099999999999994 110.11 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.587 ' HD2' ' HB2' ' A' ' 43' ' ' ARG . 2.6 p90 -135.36 153.69 51.75 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.263 -0.575 . . . . 74.299999999999997 111.782 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -128.55 178.05 6.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.152 -0.931 . . . . 74.230000000000004 109.973 -175.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.687 ' HE2' HH21 ' A' ' 66' ' ' ARG . 89.1 mttt -53.06 -50.79 63.63 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.456 0.472 . . . . 71.420000000000002 110.59 175.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 t -167.17 -165.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.296 -0.631 . . . . 74.329999999999998 109.296 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.457 ' C ' ' H ' ' A' ' 60' ' ' GLU . 35.5 tt0 -62.34 -31.16 71.75 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 122.992 0.517 . . . . 71.450000000000003 112.388 -170.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.27 44.66 0.43 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.849 0.833 . . . . 61.420000000000002 110.088 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.55 ' HA ' ' HB2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -56.19 -20.64 18.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.688 -1.142 . . . . 75.430000000000007 113.041 -177.355 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 t -53.11 -38.96 63.07 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.429 0.456 . . . . 75.430000000000007 112.055 -174.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -114.71 6.11 15.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 70.549999999999997 111.142 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CD2' ' HB2' ' A' ' 56' ' ' LYS . 15.1 m-30 -92.05 -37.28 12.89 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.924 -0.311 . . . . 74.319999999999993 111.431 -175.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.04 159.5 22.56 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.426 -0.892 . . . . 72.120000000000005 111.743 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.8 p -81.97 133.36 35.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.319 0.58 . . . . 73.510000000000005 111.285 -176.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.687 HH21 ' HE2' ' A' ' 56' ' ' LYS . 19.3 mmt85 -90.64 -29.23 17.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.507 -0.769 . . . . 73.430000000000007 110.482 178.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -157.43 147.55 15.86 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.614 -0.721 . . . . 72.040000000000006 111.466 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.8 p -148.03 132.44 17.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.613 0.244 . . . . 73.540000000000006 110.786 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.507 HD11 HD21 ' A' ' 52' ' ' LEU . 40.1 pt -137.76 167.21 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.049 0.452 . . . . 74.129999999999995 111.279 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 59.0 m -115.75 130.93 57.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.558 -0.746 . . . . 74.230000000000004 109.756 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.593 ' HB3' HG23 ' A' ' 112' ' ' ILE . 4.1 mm? -84.22 18.66 2.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.363 -0.381 . . . . 74.510000000000005 111.231 -175.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.2 m -84.43 -16.46 42.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.371 -0.377 . . . . 74.450000000000003 110.923 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.22 4.31 1.61 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.874 0.368 . . . . 74.420000000000002 111.586 178.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.645 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -74.2 139.56 44.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.318 -0.401 . . . . 65.430000000000007 111.144 178.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.7 t -97.15 115.22 36.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.199 -0.455 . . . . 72.409999999999997 110.612 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.424 HG23 ' HD2' ' A' ' 86' ' ' PHE . 41.8 mt -72.55 110.66 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 73.439999999999998 109.766 176.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.8 m -106.75 111.8 63.73 Favored Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 120.869 -0.332 . . . . 75.510000000000005 111.274 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.3 113.12 2.12 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.133 1.889 . . . . 74.310000000000002 109.814 171.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.91 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 6.9 t60 -63.08 137.52 58.27 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.681 -0.407 . . . . 71.310000000000002 109.949 -175.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -63.64 -45.08 91.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.139 -0.482 . . . . 74.420000000000002 111.384 -169.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -81.81 -18.45 43.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.074 -0.512 . . . . 73.400000000000006 111.08 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.91 ' HB2' ' HB3' ' A' ' 79' ' ' HIS . 3.1 m-20 -114.2 115.12 26.96 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.783 0.661 . . . . 64.120000000000005 112.783 -166.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -80.84 -23.76 38.9 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.583 -0.735 . . . . 64.510000000000005 110.264 174.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.5 m -96.49 -6.25 37.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.036 -0.529 . . . . 71.319999999999993 111.084 -178.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.809 ' HD2' ' HB3' ' A' ' 96' ' ' TYR . 13.0 ttp180 -115.8 134.89 54.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.84 0.829 . . . . 74.409999999999997 112.275 -174.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.424 ' HD2' HG23 ' A' ' 76' ' ' ILE . 30.1 m-85 -129.94 116.69 18.99 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.157 -1.383 . . . . 74.530000000000001 108.831 176.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.553 ' HA ' ' O ' ' A' ' 95' ' ' TRP . 2.8 p-10 -91.71 113.32 25.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.034 0.921 . . . . 65.430000000000007 111.006 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.552 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 31.0 mm -83.17 102.33 9.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 114.533 -1.212 . . . . 74.530000000000001 109.878 -179.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.0 t -100.21 117.19 33.92 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.99 0.424 . . . . 71.430000000000007 110.728 -176.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.741 HG23 HD21 ' A' ' 91' ' ' ASN . 11.0 p -150.82 130.1 3.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.886 -0.597 . . . . 74.409999999999997 110.015 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.741 HD21 HG23 ' A' ' 90' ' ' VAL . 39.3 m-80 56.72 31.02 18.61 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.387 0.514 . . . . 64.129999999999995 112.387 177.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.4 t70 72.19 19.36 4.51 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.858 0.837 . . . . 71.409999999999997 111.194 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.4 m -110.56 101.01 9.72 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.067 -0.716 . . . . 73.109999999999999 109.067 171.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.422 ' CG1' ' HB2' ' A' ' 87' ' ' ASP . 38.7 t -96.47 116.38 38.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.131 -0.486 . . . . 63.210000000000001 110.355 -178.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.58 ' CZ3' ' HB3' ' A' ' 54' ' ' TYR . 28.1 m95 -104.57 98.66 8.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.133 -0.485 . . . . 74.519999999999996 111.036 -175.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.809 ' HB3' ' HD2' ' A' ' 85' ' ' ARG . 57.1 m-85 -75.82 78.25 2.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.29 -0.414 . . . . 73.120000000000005 110.965 -178.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 85' ' ' ARG . 86.9 mt -80.14 145.04 32.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.304 -0.258 . . . . 73.349999999999994 110.304 -177.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.705 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 5.7 mtm180 -131.17 145.56 52.0 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.306 -0.257 . . . . 65.129999999999995 110.306 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.04 172.7 12.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.03 -0.532 . . . . 74.450000000000003 110.646 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--N 1.326 -0.421 0 CA-C-O 121.082 0.468 . . . . 74.099999999999994 111.095 -176.287 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.475 0 CA-C-O 121.564 0.697 . . . . 75.549999999999997 109.693 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -54.16 -17.1 2.46 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 114.935 -1.029 . . . . 75.329999999999998 112.212 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -53.25 -45.42 68.79 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 110.247 -0.279 . . . . 73.329999999999998 110.247 177.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.522 ' HZ3' ' HG2' ' A' ' 26' ' ' ARG . 14.1 m95 -70.07 -41.81 73.63 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.501 -0.555 . . . . 73.340000000000003 109.501 -175.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.2 mm -60.74 -60.99 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.112 -0.949 . . . . 70.239999999999995 110.245 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.81 -42.25 88.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.922 -0.581 . . . . 63.310000000000002 111.361 -176.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.65 -57.68 11.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.063 0.458 . . . . 71.230000000000004 110.878 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.593 HG23 ' HB3' ' A' ' 71' ' ' LEU . 56.9 mt -66.42 -44.09 90.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.34 -0.391 . . . . 75.019999999999996 110.299 -175.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.06 -42.14 76.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.026 0.441 . . . . 71.010000000000005 111.803 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -83.43 -21.67 32.89 Favored 'General case' 0 C--N 1.314 -0.961 0 C-N-CA 120.855 -0.338 . . . . 71.219999999999999 111.636 -177.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -94.36 -27.74 15.91 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.381 0.882 . . . . 72.340000000000003 113.381 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.49 151.03 33.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.235 0.54 . . . . 73.420000000000002 111.224 -175.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 35.8 p . . . . . 0 C--O 1.249 1.075 0 CA-C-N 115.326 -0.852 . . . . 74.129999999999995 110.339 -176.09 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.197 0.522 . . . . 75.409999999999997 109.785 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.689 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 8.6 tpm_? -136.46 120.82 18.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.007 -0.542 . . . . 73.129999999999995 110.861 174.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.488 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 7.2 p -126.38 120.73 30.59 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.558 -0.746 . . . . 71.540000000000006 109.107 170.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.49 171.06 41.98 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.488 -0.863 . . . . 51.329999999999998 111.959 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.02 152.64 3.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.32 0.581 . . . . 75.140000000000001 111.374 178.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.651 HD11 ' O ' ' A' ' 96' ' ' TYR . 33.7 tp -122.51 109.94 14.97 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 114.934 -1.03 . . . . 71.319999999999993 109.658 178.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 m -80.74 108.91 14.79 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.756 -0.656 . . . . 75.349999999999994 110.191 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HD2' ' HA ' ' A' ' 32' ' ' LYS . 34.1 tptt . . . . . 0 C--N 1.328 -0.352 0 N-CA-C 109.564 -0.532 . . . . 71.219999999999999 109.564 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.237 0.42 0 CA-C-O 120.858 0.361 . . . . 75.129999999999995 110.804 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -95.21 97.26 9.76 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.491 -0.929 . . . . 61.439999999999998 108.491 171.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.788 ' HD2' ' CE2' ' A' ' 54' ' ' TYR . 20.3 ptt180 -101.45 151.03 22.43 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.01 -0.541 . . . . 74.409999999999997 110.384 -174.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.773 ' HB2' ' HA ' ' A' ' 58' ' ' GLU . 63.2 t-105 -85.42 130.89 34.48 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.483 -0.487 . . . . 75.400000000000006 110.489 -169.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.64 HG23 ' HB2' ' A' ' 54' ' ' TYR . 60.8 t -127.81 130.64 70.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.155 0.503 . . . . 75.209999999999994 110.919 -177.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.453 ' O ' HD13 ' A' ' 52' ' ' LEU . 25.4 t -126.06 128.85 72.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.399 -0.819 . . . . 73.239999999999995 111.169 -178.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.8 tt -112.14 123.36 50.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.893 -0.78 . . . . 55.340000000000003 108.893 175.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -166.3 140.99 4.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.7 -0.227 . . . . 64.340000000000003 110.893 -176.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 58.92 29.11 18.48 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.24 -0.436 . . . . 74.439999999999998 111.833 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.702 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 3.0 t-20 72.29 4.06 4.88 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.784 -0.644 . . . . 70.409999999999997 110.65 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -107.8 140.23 41.19 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.961 -0.563 . . . . 73.340000000000003 109.619 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.707 ' HB2' HD21 ' A' ' 71' ' ' LEU . 29.5 tp -111.81 132.71 54.5 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.882 -0.785 . . . . 74.530000000000001 108.882 177.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.543 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 30.3 m -140.7 136.13 32.29 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.841 -0.429 . . . . 72.530000000000001 109.841 -177.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.788 ' CE2' ' HD2' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -130.38 157.53 42.34 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.438 -0.505 . . . . 75.299999999999997 110.901 -177.777 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.518 ' CD1' ' HD1' ' A' ' 44' ' ' TRP . 3.7 m-85 -129.48 154.76 46.68 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.325 -0.991 . . . . 73.530000000000001 108.325 -174.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -36.47 55.27 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.451 0.538 . . . . 74.340000000000003 112.451 -174.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.465 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 33.4 t -146.92 166.62 26.22 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.406 -0.59 . . . . 55.100000000000001 109.406 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.773 ' HA ' ' HB2' ' A' ' 44' ' ' TRP . 34.7 tt0 -58.86 -25.29 63.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.134 0.492 . . . . 74.439999999999998 111.363 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.715 ' HB2' ' HE2' ' A' ' 63' ' ' TYR . 2.2 m-20 -58.07 -26.71 62.88 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.777 -0.647 . . . . 65.349999999999994 110.673 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 48.77 -53.48 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 116.671 2.101 . . . . 74.219999999999999 116.671 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.499 HG21 ' H ' ' A' ' 62' ' ' GLU . 3.8 t -40.79 -62.29 0.82 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.145 1.165 . . . . 73.230000000000004 114.145 -170.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.499 ' H ' HG21 ' A' ' 61' ' ' THR . 9.2 pt-20 -90.54 5.39 47.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.071 0.462 . . . . 64.319999999999993 111.522 -173.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.715 ' HE2' ' HB2' ' A' ' 59' ' ' ASP . 61.3 m-85 -98.67 -28.85 13.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.283 -0.417 . . . . 72.150000000000006 110.497 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.25 165.23 7.82 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.947 -0.644 . . . . 62.119999999999997 112.915 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 p -73.56 91.33 1.82 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.794 0.807 . . . . 55.420000000000002 110.798 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -69.02 -46.09 68.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.85 -1.068 . . . . 75.530000000000001 110.082 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.543 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -112.0 141.22 16.59 Favored Glycine 0 N--CA 1.439 -1.134 0 CA-C-N 115.124 -0.943 . . . . 74.510000000000005 111.09 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 2.8 p -152.13 114.23 4.46 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.893 0.378 . . . . 75.340000000000003 110.483 -179.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.561 ' HB ' HG12 ' A' ' 90' ' ' VAL . 36.6 pt -134.33 165.25 32.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.074 -0.512 . . . . 63.229999999999997 110.815 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.8 p -108.97 130.69 55.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.567 -0.742 . . . . 71.430000000000007 109.973 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.707 HD21 ' HB2' ' A' ' 52' ' ' LEU . 3.9 mm? -83.86 9.44 12.07 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.156 -0.474 . . . . 53.340000000000003 110.512 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -62.41 -43.59 98.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.782 -0.645 . . . . 71.200000000000003 111.319 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.49 22.08 4.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.216 0.531 . . . . 61.119999999999997 110.577 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.443 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -74.76 132.12 41.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.719 -0.673 . . . . 51.030000000000001 110.268 174.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.0 t -90.31 124.04 42.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.548 -0.297 . . . . 74.129999999999995 110.647 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 53.7 mt -86.0 95.82 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.189 -0.459 . . . . 74.150000000000006 110.242 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.717 ' HB ' ' HB2' ' A' ' 87' ' ' ASP . 14.7 m -89.35 120.74 69.73 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.148 -0.478 . . . . 74.420000000000002 110.645 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.49 ' HA ' ' CD1' ' A' ' 86' ' ' PHE . 43.9 Cg_endo -70.32 118.91 5.96 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 121.807 1.672 . . . . 73.540000000000006 111.154 174.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.941 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 6.1 t60 -63.34 144.62 56.8 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 120.021 -0.672 . . . . 74.5 110.139 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.76 -69.88 0.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.491 -0.777 . . . . 64.340000000000003 111.763 -170.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -83.35 -16.27 46.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.108 0.48 . . . . 74.200000000000003 110.757 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.941 ' HB2' ' HB3' ' A' ' 79' ' ' HIS . 6.0 m-20 -83.78 149.46 26.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.278 0.561 . . . . 65.340000000000003 111.592 -176.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -118.39 -23.18 7.31 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.186 -0.916 . . . . 65.340000000000003 109.584 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.5 m -100.85 -8.63 22.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.801 -0.636 . . . . 73.310000000000002 110.703 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.459 ' HB3' ' CB ' ' A' ' 82' ' ' ASP . 37.4 ttm180 -103.31 149.3 24.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.364 0.602 . . . . 73.140000000000001 111.82 -174.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.49 ' CD1' ' HA ' ' A' ' 78' ' ' PRO . 0.4 OUTLIER -142.4 123.92 14.9 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.832 -1.077 . . . . 74.409999999999997 108.964 178.257 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.717 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 1.9 m-20 -88.55 101.48 13.98 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.904 -0.589 . . . . 71.340000000000003 110.198 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.719 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 35.4 mm -82.3 100.93 6.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.974 -0.557 . . . . 70.450000000000003 110.131 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.0 p -105.75 112.5 25.59 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.323 0.583 . . . . 74.019999999999996 111.741 -173.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.561 HG12 ' HB ' ' A' ' 69' ' ' ILE . 13.7 p -143.64 129.63 16.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.88 -0.6 . . . . 74.209999999999994 110.403 178.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.495 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 67.1 m-80 53.96 40.2 31.33 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.455 -0.339 . . . . 74.239999999999995 111.262 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.495 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 21.3 t70 75.88 -11.04 1.18 Allowed 'General case' 0 C--N 1.319 -0.748 0 O-C-N 123.676 0.61 . . . . 71.340000000000003 111.958 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.3 m -85.21 108.89 17.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.964 -0.384 . . . . 74.25 109.964 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 40.6 t -102.81 120.17 52.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.095 0.474 . . . . 73.310000000000002 110.476 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.719 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 25.2 m95 -104.63 110.02 22.16 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.83 -0.623 . . . . 70.439999999999998 110.301 -176.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.651 ' O ' HD11 ' A' ' 30' ' ' LEU . 7.1 m-85 -81.28 71.75 8.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.083 -0.508 . . . . 73.120000000000005 110.297 -177.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.628 HD13 HD12 ' A' ' 30' ' ' LEU . 2.9 mm? -77.93 155.1 31.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.034 0.445 . . . . 53.43 111.475 -174.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -134.52 146.95 50.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.007 -0.542 . . . . 72.030000000000001 110.005 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.62 163.21 12.75 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.228 -0.442 . . . . 63.340000000000003 109.916 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.49 ' H ' ' NE2' ' A' ' 100' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 121.346 0.593 . . . . 75.010000000000005 109.541 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.479 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . 14.0 mmm180 . . . . . 0 C--O 1.242 0.696 0 N-CA-C 107.499 -1.297 . . . . 70.329999999999998 107.499 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -68.7 -6.4 26.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 113.247 -1.797 . . . . 53.509999999999998 112.417 -168.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -49.86 -54.92 16.47 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 108.385 -0.969 . . . . 73.120000000000005 108.385 168.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.689 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 22.2 m95 -76.33 -45.16 33.52 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.43 -1.259 . . . . 75.299999999999997 109.544 -172.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 27.9 mm -56.09 -56.24 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.445 -0.798 . . . . 72.150000000000006 110.285 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.53 -52.09 66.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.998 -0.546 . . . . 72.319999999999993 111.068 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.77 -54.91 31.51 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.483 0.659 . . . . 71.340000000000003 111.384 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.672 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 60.3 mt -66.92 -51.83 50.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.924 -0.58 . . . . 74.219999999999999 111.447 -175.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.585 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 75.1 mm-40 -59.03 -30.3 67.92 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.617 0.246 . . . . 73.519999999999996 111.543 -176.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -81.37 -29.93 33.88 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.75 -0.38 . . . . 70.549999999999997 111.438 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.702 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 22.6 m-70 -94.6 -16.06 23.53 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 115.477 1.658 . . . . 74.219999999999999 115.477 -174.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.672 ' HG3' ' O ' ' A' ' 112' ' ' ILE . 30.0 mtmt -44.05 126.11 4.75 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.341 0.867 . . . . 63.530000000000001 113.341 -171.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.232 -0.895 . . . . 73.019999999999996 110.295 -179.76 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.801 ' HG2' ' HA ' ' A' ' 48' ' ' LYS . 4.0 mm-40 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 121.071 0.462 . . . . 75.230000000000004 110.111 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.547 ' HD3' ' CH2' ' A' ' 108' ' ' TRP . 2.3 tpt180 -121.94 137.6 54.73 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.86 -0.609 . . . . 72.140000000000001 110.075 178.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.8 p -147.18 109.2 4.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.82 -0.437 . . . . 75.420000000000002 109.82 174.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -169.42 172.59 43.57 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.413 -0.898 . . . . 62.109999999999999 112.305 -178.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.535 HG12 ' HE3' ' A' ' 44' ' ' TRP . 1.1 m -89.74 150.41 3.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.461 0.648 . . . . 63.439999999999998 112.011 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.6 tp -125.48 123.06 38.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.016 -0.993 . . . . 64.310000000000002 109.514 176.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.8 m -87.64 105.25 17.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.02 0.438 . . . . 62.329999999999998 110.564 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.9 tptp . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.955 -0.566 . . . . 62.439999999999998 109.6 178.217 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.412 HE21 ' HB2' ' A' ' 41' ' ' GLN . 2.8 pt20 . . . . . 0 N--CA 1.447 -0.61 0 N-CA-C 109.415 -0.587 . . . . 71.310000000000002 109.415 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -103.54 110.82 23.01 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.565 -0.743 . . . . 72.120000000000005 109.542 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -108.41 146.93 32.33 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.255 -0.884 . . . . 55.109999999999999 109.865 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.535 ' HE3' HG12 ' A' ' 29' ' ' VAL . 69.5 t-105 -93.98 113.1 25.03 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.681 -0.407 . . . . 74.450000000000003 109.983 -176.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.2 m -105.08 140.5 22.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.461 0.648 . . . . 74.219999999999999 110.654 -176.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.508 HG12 ' HD2' ' A' ' 48' ' ' LYS . 25.2 t -132.37 117.87 33.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.976 -1.011 . . . . 62.340000000000003 110.576 -178.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.541 ' HB3' ' HB3' ' A' ' 26' ' ' ARG . 3.2 tm? -103.31 127.36 50.67 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.297 -1.001 . . . . 71.209999999999994 108.297 177.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.801 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -171.06 162.02 6.99 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 109.81 -0.441 . . . . 63.130000000000003 109.81 177.038 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 53.15 -148.23 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.121 -1.437 . . . . 74.120000000000005 107.121 -168.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -98.68 34.04 2.14 Favored 'General case' 0 C--N 1.307 -1.251 0 C-N-CA 119.651 -0.82 . . . . 41.219999999999999 109.135 171.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.83 154.39 49.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.468 0.651 . . . . 71.430000000000007 111.855 -175.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.452 HD12 HD23 ' A' ' 47' ' ' LEU . 61.9 tp -127.05 132.99 50.56 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.554 -0.748 . . . . 74.120000000000005 109.278 176.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.511 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 5.0 m -131.64 163.35 28.3 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.178 -0.465 . . . . 72.420000000000002 109.904 -176.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.443 ' HD1' ' CH2' ' A' ' 95' ' ' TRP . 2.7 p90 -147.65 155.9 42.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.034 0.445 . . . . 74.439999999999998 110.213 172.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -131.9 168.96 16.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.407 -0.815 . . . . 75.219999999999999 108.935 -174.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -62.87 -41.84 99.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.491 -0.322 . . . . 73.409999999999997 111.188 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.579 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 23.8 m -152.51 178.15 9.88 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.919 -0.4 . . . . 55.039999999999999 109.919 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.98 -27.85 69.41 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.432 0.53 . . . . 74.219999999999999 112.432 -173.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.607 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 30.1 t70 -53.02 -34.97 58.8 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 110.46 -0.2 . . . . 75.239999999999995 110.46 178.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? 50.48 -42.95 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 116.933 2.197 . . . . 73.530000000000001 116.933 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 t -54.96 -52.12 64.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.855 0.752 . . . . 75.129999999999995 112.616 -173.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.47 ' HG2' ' OD2' ' A' ' 59' ' ' ASP . 7.2 pt-20 -90.3 2.36 55.57 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.429 -0.508 . . . . 72.430000000000007 111.171 -177.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.607 ' CE2' ' HB3' ' A' ' 59' ' ' ASP . 38.4 m-85 -99.22 -30.68 12.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.551 -0.295 . . . . 63.539999999999999 110.697 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.18 155.31 3.96 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.887 -0.597 . . . . 63.340000000000003 112.486 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.6 p -67.69 102.83 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.503 0.668 . . . . 71.230000000000004 110.019 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.433 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 13.8 mmt180 -77.8 -19.48 54.94 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.177 -0.92 . . . . 74.129999999999995 110.769 -175.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.511 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -157.81 129.62 2.38 Favored Glycine 0 N--CA 1.438 -1.169 0 N-CA-C 110.175 -1.17 . . . . 62.32 110.175 175.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 8.3 t -141.6 124.82 16.42 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.679 -0.489 . . . . 73.209999999999994 109.679 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.623 ' HB ' HG13 ' A' ' 90' ' ' VAL . 34.2 pt -127.12 153.89 36.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.115 -0.493 . . . . 72.530000000000001 111.309 -176.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 63.4 m -98.47 123.44 42.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.952 -0.567 . . . . 75.420000000000002 110.039 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.509 ' HG ' HG12 ' A' ' 112' ' ' ILE . 4.2 mm? -75.53 0.57 16.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.113 -0.494 . . . . 74.420000000000002 111.937 -175.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.6 m -68.44 -37.57 80.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.889 0.376 . . . . 73.129999999999995 110.561 178.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.88 14.74 14.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 73.510000000000005 111.135 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.25 125.57 35.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.97 0.414 . . . . 61.329999999999998 110.728 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.6 t -89.59 116.7 31.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.922 -0.581 . . . . 74.430000000000007 110.438 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 54.3 mt -82.92 101.57 7.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.806 -0.634 . . . . 74.519999999999996 109.952 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.1 m -103.18 104.14 38.78 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 116.323 -0.398 . . . . 65.519999999999996 110.309 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.67 141.61 73.39 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.314 2.009 . . . . 73.450000000000003 111.836 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.692 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 10.6 t60 -77.7 145.74 36.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.741 -0.837 . . . . 74.450000000000003 108.741 176.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -83.25 -54.3 5.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.732 0.301 . . . . 74.150000000000006 110.669 -174.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -60.83 -40.86 94.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.072 0.463 . . . . 75.209999999999994 110.426 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.692 ' H ' ' HD2' ' A' ' 79' ' ' HIS . 36.2 m-20 -106.74 106.71 17.37 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 116.04 -0.527 . . . . 74.409999999999997 110.249 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -70.43 -22.11 62.75 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.044 0.449 . . . . 74.329999999999998 110.33 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 63.8 m -87.18 -12.15 47.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.889 -0.596 . . . . 63.229999999999997 111.227 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 35.5 ttm-85 -95.26 138.17 33.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 71.239999999999995 110.493 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -135.44 119.27 17.28 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.921 -0.581 . . . . 61.539999999999999 110.292 -176.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -89.69 118.41 29.28 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.598 -0.728 . . . . 64.450000000000003 109.775 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.838 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 26.3 mm -102.84 105.47 18.25 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 115.912 -0.585 . . . . 54.130000000000003 110.448 -176.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.4 p -110.03 126.3 53.83 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.334 0.588 . . . . 74.109999999999999 111.058 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.623 HG13 ' HB ' ' A' ' 69' ' ' ILE . 4.9 p -147.48 116.39 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.744 -0.662 . . . . 72.430000000000007 110.697 -176.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.532 ' ND2' HG21 ' A' ' 90' ' ' VAL . 50.4 m-80 63.61 -75.95 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.681 -0.691 . . . . 61.119999999999997 110.912 -175.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -136.88 -28.29 0.97 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.936 -1.029 . . . . 72.25 109.881 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.0 m -75.48 134.98 40.7 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.542 -0.754 . . . . 54.229999999999997 110.896 -172.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 77.3 t -123.72 117.2 50.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.583 -0.735 . . . . 64.239999999999995 109.793 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.838 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 17.6 m95 -109.93 101.91 10.71 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.962 -0.563 . . . . 74.230000000000004 110.685 -175.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -76.07 80.02 2.91 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.268 -0.641 . . . . 74.340000000000003 109.268 175.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 27.3 tp -93.67 169.48 10.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.163 -0.471 . . . . 74.109999999999999 109.745 -173.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -153.0 143.59 22.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.025 0.441 . . . . 55.25 110.479 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.09 170.38 16.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.739 -0.664 . . . . 71.140000000000001 110.127 175.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 . . . . . 0 C--N 1.321 -0.669 0 CA-C-N 116.17 -0.468 . . . . 73.519999999999996 110.74 -178.449 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 . . . . . 0 C--O 1.241 0.649 0 N-CA-C 107.797 -1.186 . . . . 62.539999999999999 107.797 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -56.83 -3.15 0.1 Allowed 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 113.253 -1.794 . . . . 75.409999999999997 112.097 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -45.48 -52.68 9.92 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.662 -0.866 . . . . 74.540000000000006 108.662 167.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.547 ' CH2' ' HD3' ' A' ' 26' ' ' ARG . 11.4 m95 -71.48 -50.42 31.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.045 -0.98 . . . . 74.530000000000001 109.949 -176.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.7 mm -57.0 -58.05 7.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.571 -0.741 . . . . 61.43 110.912 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -63.44 -44.88 93.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.803 -0.635 . . . . 64.510000000000005 111.428 -176.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.74 -56.29 24.08 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.213 0.53 . . . . 44.539999999999999 110.645 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.509 HG12 ' HG ' ' A' ' 71' ' ' LEU . 45.5 mt -65.69 -45.77 91.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.997 -0.547 . . . . 64.120000000000005 111.16 -175.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.504 ' HA ' ' OE1' ' A' ' 113' ' ' GLU . 3.9 mm-40 -58.78 -43.07 90.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.82 0.343 . . . . 62.109999999999999 111.653 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -78.03 -15.23 59.1 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 120.47 -0.492 . . . . 63.420000000000002 111.561 -178.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -104.9 -14.7 15.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 114.182 1.178 . . . . 75.219999999999999 114.182 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.472 ' HD2' ' C ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -72.58 156.61 38.81 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.061 0.457 . . . . 74.340000000000003 110.952 -175.55 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 56.6 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.665 -0.683 . . . . 71.120000000000005 110.434 -176.223 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.377 0.608 . . . . 61.210000000000001 109.952 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -140.16 122.24 15.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.378 -0.828 . . . . 73.129999999999995 110.025 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.9 p -135.15 105.29 6.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.976 -0.556 . . . . 75.030000000000001 109.641 174.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.3 177.5 39.25 Favored Glycine 0 CA--C 1.506 -0.519 0 C-N-CA 120.122 -1.037 . . . . 75.109999999999999 111.972 -176.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 43' ' ' ARG . 27.8 m -91.1 143.24 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-O 121.735 0.778 . . . . 73.120000000000005 111.657 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.572 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 60.3 tp -112.64 114.81 27.6 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.802 -1.09 . . . . 71.140000000000001 109.029 174.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.509 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 49.0 p -84.2 108.13 16.91 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.025 -0.534 . . . . 75.349999999999994 109.669 174.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.554 ' HZ2' ' HB2' ' A' ' 96' ' ' TYR . 10.8 tptm . . . . . 0 C--N 1.324 -0.508 0 C-N-CA 120.878 -0.329 . . . . 74.450000000000003 110.316 177.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.509 ' O ' ' HA ' ' A' ' 31' ' ' SER . 1.1 pt20 . . . . . 0 C--O 1.235 0.321 0 N-CA-C 109.555 -0.535 . . . . 73.239999999999995 109.555 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -97.93 124.4 42.35 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.469 0.652 . . . . 72.200000000000003 109.628 174.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.572 ' HG2' ' O ' ' A' ' 30' ' ' LEU . 15.5 ptp180 -124.21 153.83 41.04 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.266 -0.879 . . . . 71.430000000000007 109.268 -178.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -89.82 130.3 36.08 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.097 -0.641 . . . . 72.409999999999997 109.421 -177.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.585 HG23 ' HB2' ' A' ' 54' ' ' TYR . 54.2 t -127.53 129.25 70.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 120.959 0.409 . . . . 75.329999999999998 110.904 -177.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.455 ' O ' HD12 ' A' ' 52' ' ' LEU . 46.4 t -124.39 126.8 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.371 -0.831 . . . . 64.0 111.099 -178.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.7 tt -114.03 118.44 34.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.682 -0.859 . . . . 65.230000000000004 108.682 174.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -168.53 149.3 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.631 -0.259 . . . . 74.319999999999993 110.667 -174.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 58.34 30.35 19.45 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.163 0.431 . . . . 74.299999999999997 112.163 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.61 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 3.4 t-20 66.29 15.8 10.22 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.696 0.76 . . . . 63.450000000000003 110.443 -178.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.44 152.85 37.4 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.64 -0.709 . . . . 73.450000000000003 109.716 177.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 46' ' ' VAL . 31.8 tp -123.29 131.08 53.54 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 108.812 -0.81 . . . . 73.209999999999994 108.812 175.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -142.89 134.81 26.95 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 109.615 -0.513 . . . . 75.420000000000002 109.615 -175.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.585 ' HB2' HG23 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -129.36 150.4 50.73 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.398 0.618 . . . . 74.209999999999994 110.805 -177.677 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -135.39 -174.02 3.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.1 -0.955 . . . . 64.25 109.543 -173.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -73.76 -51.89 15.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.93 -0.577 . . . . 73.340000000000003 110.098 173.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.669 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 16.4 m -142.85 -178.06 5.63 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.495 -0.187 . . . . 70.230000000000004 110.495 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -70.37 -25.82 63.43 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 122.469 0.308 . . . . 74.209999999999994 111.409 -175.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -75.61 49.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.455 0.645 . . . . 75.439999999999998 110.006 173.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.529 ' HA ' ' HB2' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -54.57 -8.52 0.24 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 114.47 1.285 . . . . 71.150000000000006 114.47 -175.392 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.0 t -67.66 -31.44 71.44 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.464 -0.494 . . . . 75.400000000000006 110.638 177.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -101.93 -1.62 31.57 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.056 0.455 . . . . 74.140000000000001 110.321 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.669 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 41.8 m-85 -110.05 -10.03 14.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.994 -0.548 . . . . 65.129999999999995 110.568 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.84 -102.89 1.19 Allowed Glycine 0 C--N 1.335 0.499 0 CA-C-N 115.639 -0.71 . . . . 62.32 112.283 170.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 51.0 t -169.84 117.81 0.59 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.722 -0.844 . . . . 63.240000000000002 108.722 175.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.434 ' HA ' ' HD3' ' A' ' 66' ' ' ARG . 25.0 mmt85 -90.25 -15.2 31.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.059 -0.519 . . . . 75.150000000000006 110.336 -175.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.89 132.1 2.12 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.447 -0.797 . . . . 65.019999999999996 111.354 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 p -142.44 120.25 11.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.868 0.366 . . . . 73.340000000000003 110.885 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.586 ' HB ' HG13 ' A' ' 90' ' ' VAL . 24.8 pt -128.31 152.99 37.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.177 -0.465 . . . . 63.020000000000003 111.536 -178.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 85.1 m -98.95 122.25 41.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.768 -0.651 . . . . 74.030000000000001 109.941 175.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.989 HD22 HG12 ' A' ' 112' ' ' ILE . 5.1 mp -74.75 1.61 12.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.766 -0.652 . . . . 74.019999999999996 111.639 -174.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.8 t -79.89 -36.17 36.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.234 -0.439 . . . . 74.219999999999999 110.247 176.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.488 ' HB2' HG22 ' A' ' 90' ' ' VAL . 2.0 mmmm -92.51 -20.17 21.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.207 0.527 . . . . 64.040000000000006 109.982 -179.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.767 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -70.56 138.64 51.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.47 -0.786 . . . . 64.409999999999997 112.194 -172.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.4 t -97.66 132.33 42.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.521 -0.763 . . . . 53.299999999999997 109.333 175.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.451 HD11 ' HZ ' ' A' ' 86' ' ' PHE . 21.4 mt -85.84 121.06 36.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.248 0.547 . . . . 61.340000000000003 111.242 -178.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.84 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 51.0 m -116.52 95.94 46.94 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.524 -0.762 . . . . 74.519999999999996 110.336 175.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.439 ' HD3' HG22 ' A' ' 76' ' ' ILE . 50.7 Cg_endo -70.66 125.98 12.24 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 121.776 1.651 . . . . 72.230000000000004 110.516 175.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.552 ' HB2' ' HG2' ' A' ' 85' ' ' ARG . 20.1 t60 -62.47 140.72 58.6 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.141 -0.624 . . . . 74.420000000000002 109.798 -179.281 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -78.32 -60.65 2.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.073 -0.512 . . . . 65.120000000000005 111.673 -174.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -64.87 -20.72 66.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.571 -0.286 . . . . 74.420000000000002 111.735 -177.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.576 ' HB3' ' HB3' ' A' ' 85' ' ' ARG . 9.9 t70 -109.95 145.41 36.97 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.29 -0.564 . . . . 71.019999999999996 110.567 -177.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -92.21 -6.73 50.02 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.988 -0.551 . . . . 73.420000000000002 111.777 -173.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.59 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 59.2 m -138.48 -17.19 1.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.916 0.709 . . . . 65.109999999999999 112.916 -178.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.576 ' HB3' ' HB3' ' A' ' 82' ' ' ASP . 0.8 OUTLIER -61.61 133.46 55.67 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.306 0.574 . . . . 74.430000000000007 109.852 175.314 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.51 ' HD1' ' HD2' ' A' ' 105' ' ' ARG . 55.3 t80 -135.65 124.0 23.3 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.266 -0.879 . . . . 75.230000000000004 110.432 -169.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.84 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 10.0 t70 -105.16 135.75 45.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.165 -0.471 . . . . 75.340000000000003 110.124 -177.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.469 HD12 ' HD2' ' A' ' 86' ' ' PHE . 3.7 mp -125.34 113.94 37.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.733 -0.667 . . . . 74.530000000000001 109.51 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.2 p -115.72 119.45 36.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.225 0.536 . . . . 61.539999999999999 112.017 -174.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.767 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 7.2 p -160.71 140.09 3.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 115.875 -0.602 . . . . 72.25 110.769 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.515 ' ND2' HG23 ' A' ' 90' ' ' VAL . 62.7 m-80 52.09 34.53 14.31 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.122 0.415 . . . . 75.109999999999999 112.122 -178.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.7 t70 74.55 -11.38 1.03 Allowed 'General case' 0 C--N 1.319 -0.731 0 O-C-N 123.68 0.613 . . . . 51.140000000000001 111.821 -176.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.7 m -81.25 108.79 15.18 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.71 -0.478 . . . . 72.5 109.71 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 42.5 t -104.25 114.03 42.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.939 -0.573 . . . . 71.120000000000005 109.956 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.433 ' CZ3' ' HB3' ' A' ' 54' ' ' TYR . 14.2 m95 -99.54 132.55 44.8 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.499 -0.773 . . . . 74.450000000000003 110.222 -177.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.554 ' HB2' ' HZ2' ' A' ' 32' ' ' LYS . 2.2 m-85 -114.71 84.49 2.08 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.941 -0.304 . . . . 73.219999999999999 110.182 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.469 HD23 HG13 ' A' ' 45' ' ' VAL . 10.6 mp -95.99 -174.07 3.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.206 -0.452 . . . . 74.409999999999997 110.246 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 85' ' ' ARG . 22.8 ttt180 -157.25 143.11 17.64 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.383 -0.599 . . . . 62.539999999999999 109.383 177.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.59 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . . . -80.76 -172.7 3.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.074 -0.512 . . . . 75.230000000000004 110.442 176.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 . . . . . 0 N--CA 1.464 0.261 0 O-C-N 124.128 0.893 . . . . 74.120000000000005 111.801 -175.41 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.587 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . 44.1 ttp180 . . . . . 0 C--O 1.241 0.635 0 N-CA-C 108.523 -0.917 . . . . 72.109999999999999 108.523 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.473 ' HA ' HG12 ' A' ' 109' ' ' ILE . 15.5 pt20 -62.98 -8.22 6.81 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 114.479 -1.237 . . . . 74.219999999999999 111.59 -174.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -50.87 -46.11 60.23 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.105 0.478 . . . . 72.140000000000001 109.862 173.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.473 ' O ' HG13 ' A' ' 112' ' ' ILE . 11.0 m95 -73.13 -38.25 66.34 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.158 -0.682 . . . . 73.129999999999995 109.158 -177.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.473 HG12 ' HA ' ' A' ' 106' ' ' GLN . 36.5 mm -57.8 -58.35 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.628 -0.715 . . . . 73.099999999999994 109.893 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -55.55 -50.64 69.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.557 -0.292 . . . . 74.140000000000001 111.363 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.67 -56.62 17.24 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.265 0.555 . . . . 64.450000000000003 111.432 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.989 HG12 HD22 ' A' ' 71' ' ' LEU . 30.1 mt -68.51 -46.06 80.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.188 -0.46 . . . . 70.310000000000002 111.099 -175.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -55.61 -40.72 72.45 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.787 0.327 . . . . 62.020000000000003 111.45 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -81.04 -25.58 37.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.358 -0.383 . . . . 74.129999999999995 111.966 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.61 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 21.4 m-70 -93.44 -22.94 18.59 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.629 0.974 . . . . 74.120000000000005 113.629 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.33 164.9 23.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.108 0.48 . . . . 61.409999999999997 111.34 -175.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.5 p . . . . . 0 C--O 1.25 1.127 0 CA-C-N 115.752 -0.658 . . . . 74.430000000000007 110.548 -179.154 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 121.231 0.539 . . . . 74.340000000000003 109.722 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.674 ' HG2' ' CH2' ' A' ' 108' ' ' TRP . 3.4 tpm_? -159.76 128.09 4.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.477 -0.783 . . . . 75.319999999999993 109.699 179.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 p -142.19 114.01 8.01 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.568 -0.53 . . . . 55.409999999999997 109.568 174.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -165.33 173.82 41.12 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.246 -0.978 . . . . 75.239999999999995 112.258 -177.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.423 HG12 ' HE3' ' A' ' 44' ' ' TRP . 3.0 m -86.69 137.26 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.461 0.648 . . . . 71.439999999999998 110.932 178.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 96' ' ' TYR . 10.4 tt -117.53 121.29 40.59 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.116 -0.947 . . . . 61.509999999999998 108.986 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 17.6 m -92.54 108.19 19.79 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.096 0.474 . . . . 70.400000000000006 110.917 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.7 tptt . . . . . 0 C--N 1.325 -0.499 0 N-CA-C 109.358 -0.608 . . . . 73.150000000000006 109.358 178.949 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.424 ' O ' ' HA ' ' A' ' 31' ' ' SER . 59.3 tp60 . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 109.582 -0.525 . . . . 64.099999999999994 109.582 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 4.3 p-10 -95.2 125.23 39.7 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.487 -0.778 . . . . 73.209999999999994 109.564 177.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.445 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 17.5 ptt180 -127.5 141.77 51.57 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.688 -0.687 . . . . 71.299999999999997 109.821 178.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.518 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 72.1 t-105 -84.95 119.2 25.11 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.877 -0.329 . . . . 74.420000000000002 110.18 -173.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.552 HG11 ' HB2' ' A' ' 54' ' ' TYR . 21.9 m -115.39 139.73 40.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-O 121.135 0.493 . . . . 72.510000000000005 110.29 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.474 HG12 ' HB2' ' A' ' 53' ' ' SER . 7.2 p -138.69 133.07 41.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.697 -0.683 . . . . 74.549999999999997 110.286 -177.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.3 tt -119.34 125.31 48.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.527 -0.546 . . . . 73.519999999999996 109.527 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -172.57 149.23 2.07 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.745 -0.465 . . . . 63.399999999999999 109.745 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.6 m120 64.13 22.93 13.04 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.269 0.356 . . . . 73.510000000000005 110.865 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.813 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 16.4 t-20 68.49 11.48 8.36 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.999 0.904 . . . . 73.439999999999998 110.353 -178.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.54 137.73 47.86 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.359 -0.837 . . . . 60.399999999999999 109.795 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' A' ' 68' ' ' SER . 49.7 tp -110.48 135.42 51.18 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.44 -0.578 . . . . 75.230000000000004 109.44 177.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.474 ' HB2' HG12 ' A' ' 46' ' ' VAL . 72.6 m -135.52 147.52 48.84 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.095 -0.502 . . . . 75.120000000000005 110.406 -173.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.554 ' HB3' ' CZ3' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -140.89 150.79 43.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.496 0.665 . . . . 73.329999999999998 111.177 175.373 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.503 ' CD1' ' HD1' ' A' ' 44' ' ' TRP . 10.5 m-85 -128.12 162.14 27.62 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 114.628 -1.169 . . . . 72.439999999999998 108.13 -177.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.506 ' HB2' ' CD1' ' A' ' 63' ' ' TYR . 2.3 mmmp? -59.54 -21.31 60.07 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.717 1.006 . . . . 74.219999999999999 113.717 -173.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.1 t -174.26 -175.09 0.95 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.243 -1.021 . . . . 70.030000000000001 108.243 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.42 -28.07 67.98 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.515 0.561 . . . . 63.109999999999999 112.515 -172.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.561 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 15.7 t70 -46.03 -43.87 14.78 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.24 0.337 . . . . 71.420000000000002 111.479 -178.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.51 ' HA ' ' HD2' ' A' ' 63' ' ' TYR . 8.0 pt-20 49.12 -36.08 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.608 1.963 . . . . 72.430000000000007 116.067 -175.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.452 ' H ' ' C ' ' A' ' 59' ' ' ASP . 2.4 p -63.61 -43.48 96.78 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.196 0.813 . . . . 71.200000000000003 113.196 -171.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.462 ' HG2' ' OD1' ' A' ' 59' ' ' ASP . 10.0 pt-20 -80.73 -15.17 57.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.311 0.577 . . . . 72.109999999999999 110.132 -177.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 59' ' ' ASP . 23.7 m-85 -86.77 -32.92 20.12 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.383 -0.826 . . . . 70.230000000000004 111.198 -173.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.439 ' O ' ' HE2' ' A' ' 55' ' ' TYR . . . 75.52 -70.31 1.94 Allowed Glycine 0 C--O 1.229 -0.188 0 C-N-CA 121.194 -0.527 . . . . 71.329999999999998 111.838 -178.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 21.7 p -175.14 127.85 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.772 -0.825 . . . . 74.230000000000004 108.772 173.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.49 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 14.9 mmt85 -111.57 -8.35 14.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.251 0.548 . . . . 62.130000000000003 110.848 -174.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.77 135.64 3.6 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.495 -1.042 . . . . 54.549999999999997 110.495 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.477 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 25.5 t -150.93 137.63 18.88 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 110.026 -0.361 . . . . 71.219999999999999 110.026 -178.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.52 ' HB ' HG11 ' A' ' 90' ' ' VAL . 20.2 pt -138.52 153.88 26.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.198 -0.456 . . . . 74.200000000000003 110.309 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 84.0 m -99.13 125.2 44.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.216 -0.447 . . . . 52.229999999999997 109.99 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.983 HD21 HG12 ' A' ' 112' ' ' ILE . 6.8 mp -83.14 27.7 0.55 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.952 -0.567 . . . . 74.140000000000001 111.023 -175.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.2 t -60.94 -60.46 3.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 74.329999999999998 110.305 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.27 19.31 9.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.325 -0.398 . . . . 74.200000000000003 110.668 178.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.46 110.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 72.219999999999999 109.884 176.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 50.5 t -70.94 120.89 19.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.0 -0.545 . . . . 70.230000000000004 110.879 -174.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.52 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 55.9 mt -82.24 110.11 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.954 -0.566 . . . . 70.049999999999997 109.753 176.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 1.04 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 1.1 m -93.9 103.78 11.28 Favored Pre-proline 0 C--N 1.313 -1.001 0 CA-C-N 115.923 -0.58 . . . . 62.219999999999999 109.698 176.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.52 ' HD3' ' O ' ' A' ' 76' ' ' ILE . 12.3 Cg_exo -70.46 111.36 2.93 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.408 2.072 . . . . 71.349999999999994 111.417 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.479 ' HB3' ' HB3' ' A' ' 85' ' ' ARG . 2.0 t60 -74.7 103.05 4.83 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.723 -0.843 . . . . 74.0 108.723 178.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -72.64 -45.43 59.02 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.359 -0.837 . . . . 72.049999999999997 111.37 -165.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -66.82 -24.42 66.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.796 -0.638 . . . . 73.340000000000003 110.573 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' A' ' 84' ' ' CYS . 11.4 t70 -86.21 -38.29 17.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.277 -0.419 . . . . 64.319999999999993 110.222 -177.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 75.54 -31.55 0.2 Allowed 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.258 1.023 . . . . 74.129999999999995 111.733 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.431 ' H ' ' C ' ' A' ' 82' ' ' ASP . 57.4 m -107.6 -13.28 15.09 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.249 -0.432 . . . . 73.109999999999999 111.238 -176.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.479 ' HB3' ' HB3' ' A' ' 79' ' ' HIS . 15.4 ttm-85 -94.08 143.18 26.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.428 0.633 . . . . 55.420000000000002 111.821 -174.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.628 ' HE2' ' HB2' ' A' ' 105' ' ' ARG . 43.7 m-85 -133.77 127.33 32.51 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.967 -1.015 . . . . 73.519999999999996 109.915 177.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 1.04 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 11.6 t70 -94.93 136.07 35.69 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.662 -1.154 . . . . 71.239999999999995 109.88 -178.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.718 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 27.3 mm -114.48 106.5 20.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 110.177 -0.305 . . . . 74.109999999999999 110.177 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.3 p -114.14 111.11 21.05 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.584 0.707 . . . . 73.129999999999995 111.487 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.52 HG11 ' HB ' ' A' ' 69' ' ' ILE . 12.4 p -137.83 123.23 24.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.556 -0.747 . . . . 65.219999999999999 109.798 178.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.5 HD21 HG23 ' A' ' 90' ' ' VAL . 57.1 m-80 60.87 28.88 18.63 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.663 -0.244 . . . . 60.240000000000002 111.193 -178.144 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.9 t70 75.42 -6.55 1.95 Allowed 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.717 0.635 . . . . 73.310000000000002 111.659 -175.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.9 m -74.87 112.92 11.57 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.008 -0.738 . . . . 74.299999999999997 109.008 173.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.5 t -107.43 124.78 63.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.014 0.435 . . . . 64.400000000000006 111.501 -172.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.718 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 24.7 m95 -116.75 115.59 25.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.837 -0.62 . . . . 75.340000000000003 110.377 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.412 ' O ' HD12 ' A' ' 30' ' ' LEU . 21.0 m-85 -92.98 97.28 10.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.618 -0.265 . . . . 74.319999999999993 110.439 -179.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.8 mp -106.69 158.74 16.74 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.08 -0.341 . . . . 75.219999999999999 110.08 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.477 ' HG3' ' CA ' ' A' ' 85' ' ' ARG . 1.8 ttp85 -145.93 155.08 42.62 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.884 -0.326 . . . . 75.120000000000005 110.73 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.707 ' HB3' ' HB3' ' A' ' 105' ' ' ARG . . . -72.36 158.0 36.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.048 -0.524 . . . . 75.510000000000005 110.488 175.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.013 -0.54 . . . . 61.329999999999998 110.865 -178.535 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.707 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 2.2 ppt_? . . . . . 0 C--O 1.237 0.41 0 CA-C-O 121.374 0.607 . . . . 73.439999999999998 110.161 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -55.27 -12.26 0.96 Allowed 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.006 -0.997 . . . . 65.25 111.028 170.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -46.04 -54.14 8.95 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.777 -0.453 . . . . 63.329999999999998 109.777 170.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.674 ' CH2' ' HG2' ' A' ' 26' ' ' ARG . 14.5 m95 -70.21 -46.58 64.22 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.404 -0.816 . . . . 75.219999999999999 109.49 -173.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.409 ' O ' ' HG2' ' A' ' 113' ' ' GLU . 26.6 mm -55.61 -62.8 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.367 -0.833 . . . . 71.319999999999993 110.474 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -60.3 -41.28 93.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.748 -0.66 . . . . 71.150000000000006 111.046 -174.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.12 -54.99 40.49 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 121.036 0.446 . . . . 72.349999999999994 110.741 178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.983 HG12 HD21 ' A' ' 71' ' ' LEU . 43.9 mt -67.67 -46.44 82.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.419 -0.355 . . . . 72.420000000000002 111.15 -176.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 109' ' ' ILE . 8.7 mm-40 -58.8 -36.81 75.06 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.852 0.358 . . . . 73.219999999999999 111.374 -178.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -79.95 -31.4 39.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.553 -0.294 . . . . 74.019999999999996 111.196 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.813 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 58.5 m-70 -91.86 2.53 56.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.922 0.342 . . . . 70.549999999999997 111.922 -179.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.899 ' HE2' ' HA ' ' A' ' 116' ' ' LYS . 7.5 mmpt? -42.07 141.55 0.87 Allowed 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.47 0.915 . . . . 74.299999999999997 113.47 175.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.247 0.939 0 CA-C-N 114.449 -1.25 . . . . 72.420000000000002 108.849 178.853 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.997 0.427 . . . . 75.319999999999993 109.944 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.672 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 3.3 tpm_? -143.55 132.21 22.48 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.159 -0.473 . . . . 73.340000000000003 110.017 168.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.0 p -145.26 120.96 10.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.992 -0.549 . . . . 72.120000000000005 109.787 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -176.71 169.82 42.38 Favored Glycine 0 C--O 1.228 -0.281 0 C-N-CA 120.127 -1.035 . . . . 73.230000000000004 112.606 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.913 HG13 ' HE3' ' A' ' 44' ' ' TRP . 2.7 m -92.46 150.32 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.091 0.472 . . . . 71.439999999999998 110.883 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 42' ' ' ASP . 3.6 pp -128.63 142.77 50.93 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.581 -0.736 . . . . 71.439999999999998 109.138 173.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.6 p -105.5 102.61 12.07 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.826 -0.625 . . . . 75.319999999999993 110.219 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.289 -0.414 . . . . 71.430000000000007 110.381 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 N--CA 1.447 -0.578 0 CA-C-O 121.255 0.55 . . . . 73.329999999999998 110.837 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.447 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 4.2 m-20 -97.84 117.88 33.16 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.744 -1.117 . . . . 71.030000000000001 109.159 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -126.09 147.87 49.49 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.08 -0.509 . . . . 74.129999999999995 110.171 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.913 ' HE3' HG13 ' A' ' 29' ' ' VAL . 64.8 t-105 -96.34 118.69 33.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.304 -0.407 . . . . 74.439999999999998 110.085 -173.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.9 m -111.56 141.72 26.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.456 0.646 . . . . 73.0 111.42 -176.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.491 ' O ' HD12 ' A' ' 52' ' ' LEU . 46.3 t -129.97 122.95 55.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 114.88 -1.055 . . . . 71.219999999999999 110.633 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 tt -107.68 111.22 23.31 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.671 -0.863 . . . . 74.109999999999999 108.671 176.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -157.64 143.19 17.19 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.044 -0.262 . . . . 75.239999999999995 111.016 -177.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 54.76 35.61 24.45 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.179 -0.464 . . . . 60.420000000000002 111.397 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.526 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 2.7 t-20 68.0 5.7 4.73 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.142 -0.936 . . . . 60.420000000000002 111.125 178.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.36 124.59 52.82 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.225 0.536 . . . . 75.540000000000006 109.948 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.491 HD12 ' O ' ' A' ' 46' ' ' VAL . 51.6 tp -99.68 131.19 45.83 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.977 -0.749 . . . . 71.219999999999999 108.977 177.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.5 m -141.77 139.41 32.79 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.17 -0.468 . . . . 72.409999999999997 109.835 -175.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.641 ' HB3' ' CZ3' ' A' ' 95' ' ' TRP . 3.0 p90 -124.84 156.07 38.45 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.057 -0.657 . . . . 71.25 111.025 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -127.79 165.64 19.71 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 114.904 -1.043 . . . . 75.540000000000006 109.043 -177.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 63' ' ' TYR . 29.4 tptp -57.41 -32.46 66.88 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 123.619 0.574 . . . . 75.420000000000002 111.466 -178.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.581 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 8.1 t -171.81 -163.79 0.28 Allowed 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.702 -0.481 . . . . 71.519999999999996 109.702 176.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.445 ' C ' ' H ' ' A' ' 60' ' ' GLU . 33.8 tt0 -67.35 -28.21 67.77 Favored 'General case' 0 N--CA 1.461 0.116 0 O-C-N 123.117 0.261 . . . . 70.099999999999994 111.362 -173.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.501 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 5.6 m-20 -74.72 47.91 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.358 0.599 . . . . 64.209999999999994 110.397 173.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' ' 58' ' ' GLU . 4.8 pt-20 -46.21 -37.76 7.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.722 -1.126 . . . . 72.25 112.409 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.5 p -56.94 -34.87 68.43 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.284 0.476 . . . . 75.209999999999994 112.284 -177.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -111.91 4.86 18.53 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.918 -0.313 . . . . 63.229999999999997 111.625 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.581 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 9.7 m-85 -104.11 -24.53 13.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.693 0.282 . . . . 72.0 110.937 177.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.81 160.23 9.09 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 121.005 -0.617 . . . . 71.540000000000006 113.016 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.4 p -72.34 109.96 6.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.137 0.494 . . . . 74.420000000000002 110.187 178.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -91.03 -17.64 25.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.916 -0.584 . . . . 73.150000000000006 110.762 -175.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -157.84 148.8 18.75 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.978 -0.849 . . . . 70.409999999999997 110.978 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 13.2 p -159.43 121.79 3.47 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 117.013 0.407 . . . . 73.5 110.759 -176.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.3 pt -128.7 156.87 41.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.148 -0.478 . . . . 72.519999999999996 111.251 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 85.2 m -99.08 119.39 37.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.47 -0.786 . . . . 63.340000000000003 109.676 175.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.9 HD22 HG12 ' A' ' 112' ' ' ILE . 8.2 mp -84.08 25.52 0.82 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.29 0.567 . . . . 73.239999999999995 110.699 -175.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.4 m -77.46 -31.76 53.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.378 -0.828 . . . . 74.450000000000003 110.452 177.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.22 4.28 4.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.595 -0.73 . . . . 75.540000000000006 110.908 -177.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.658 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -65.7 133.5 51.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.122 -0.49 . . . . 52.140000000000001 110.946 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.1 t -85.97 108.82 17.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.675 -0.693 . . . . 61.119999999999997 110.387 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.8 mt -77.21 107.86 9.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.047 -0.524 . . . . 74.430000000000007 109.75 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.2 m -109.2 99.98 38.68 Favored Pre-proline 0 C--N 1.316 -0.889 0 CA-C-N 116.264 -0.426 . . . . 75.129999999999995 110.917 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.25 125.1 13.46 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.148 1.898 . . . . 64.049999999999997 109.998 172.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.401 ' HB2' ' HD2' ' A' ' 85' ' ' ARG . 34.1 t60 -63.38 137.03 58.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.849 -0.426 . . . . 75.019999999999996 109.849 -177.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.54 -49.86 43.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.947 0.403 . . . . 62.100000000000001 111.13 -172.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -83.15 -11.38 57.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.254 -0.43 . . . . 75.209999999999994 111.635 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -128.27 107.79 10.06 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 120.665 0.269 . . . . 73.5 110.553 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -76.84 -25.69 53.48 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.094 -0.503 . . . . 54.130000000000003 110.689 -177.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 98' ' ' ARG . 72.6 m -85.07 -13.69 49.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.107 -0.497 . . . . 64.030000000000001 110.81 178.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.401 ' HD2' ' HB2' ' A' ' 79' ' ' HIS . 9.3 ttm180 -94.55 132.44 39.24 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.36 0.6 . . . . 55.140000000000001 110.599 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -125.41 126.74 45.45 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.494 -0.776 . . . . 74.109999999999999 110.335 178.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -108.55 115.54 30.3 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.65 -0.704 . . . . 62.310000000000002 109.641 -178.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.462 ' N ' HD12 ' A' ' 88' ' ' ILE . 4.1 mp -108.01 113.52 44.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 CA-C-N 115.273 -0.876 . . . . 75.310000000000002 109.694 -173.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.1 p -120.37 117.9 28.96 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.211 0.529 . . . . 64.25 111.884 -173.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.658 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 12.5 p -147.16 129.63 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.327 -0.62 . . . . 72.409999999999997 109.327 175.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.533 HD21 HG23 ' A' ' 90' ' ' VAL . 48.4 m-80 59.86 27.99 17.41 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.692 0.282 . . . . 73.239999999999995 111.329 -178.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 91' ' ' ASN . 5.3 m-20 70.92 2.35 4.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.695 -0.684 . . . . 71.120000000000005 112.4 -175.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.8 m -80.06 101.29 8.63 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.644 -0.873 . . . . 61.420000000000002 108.644 173.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.1 t -99.19 117.15 43.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.661 -0.7 . . . . 74.049999999999997 110.962 -174.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.641 ' CZ3' ' HB3' ' A' ' 54' ' ' TYR . 26.4 m95 -106.64 133.82 50.74 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.468 -0.787 . . . . 73.219999999999999 110.26 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -109.47 94.74 5.19 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.005 -0.368 . . . . 61.130000000000003 110.005 177.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 79.2 mt -95.9 162.58 13.52 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.254 -0.43 . . . . 70.540000000000006 110.058 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 1.1 ttp180 -140.87 138.53 34.01 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.024 -0.732 . . . . 71.340000000000003 109.024 175.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.65 139.46 53.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.64 0.257 . . . . 73.140000000000001 110.313 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.372 0 CA-C-O 121.106 0.479 . . . . 72.030000000000001 110.474 -178.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 . . . . . 0 C--O 1.236 0.38 0 CA-C-O 121.677 0.751 . . . . 64.430000000000007 109.307 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -25.14 8.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.249 -1.341 . . . . 74.409999999999997 112.491 -174.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -49.86 -50.57 45.16 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.599 0.562 . . . . 74.200000000000003 110.688 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.672 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 10.9 m95 -70.21 -49.61 48.46 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.535 -0.757 . . . . 74.239999999999995 109.676 -175.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.3 mm -56.06 -55.64 17.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.366 -0.834 . . . . 64.040000000000006 110.325 -176.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -61.61 -52.7 63.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.705 -0.68 . . . . 63.140000000000001 111.213 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.99 -54.49 38.26 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.354 0.597 . . . . 53.539999999999999 111.252 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.9 HG12 HD22 ' A' ' 71' ' ' LEU . 38.2 mt -68.83 -49.14 66.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.926 -0.579 . . . . 75.140000000000001 111.656 -174.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -58.78 -37.65 76.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.673 0.273 . . . . 75.530000000000001 111.607 -178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -79.53 -28.34 41.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.487 -0.324 . . . . 64.430000000000007 111.754 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.526 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 31.9 m-70 -91.01 -23.31 20.42 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 113.473 0.916 . . . . 73.349999999999994 113.473 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.552 ' HE3' ' O ' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -69.57 166.88 18.01 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.291 0.567 . . . . 71.400000000000006 111.654 -173.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.251 1.159 0 CA-C-N 115.638 -0.71 . . . . 44.030000000000001 109.601 176.479 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HG2' ' HA ' ' A' ' 48' ' ' LYS . 6.4 mm-40 . . . . . 0 CA--C 1.521 -0.167 0 CA-C-O 121.26 0.553 . . . . 74.519999999999996 110.006 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.586 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -156.04 128.46 7.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.791 -0.64 . . . . 71.129999999999995 109.886 172.787 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 4.3 p -140.02 123.78 17.38 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.149 -0.478 . . . . 64.040000000000006 109.793 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.55 170.7 43.76 Favored Glycine 0 C--N 1.319 -0.364 0 C-N-CA 120.192 -1.004 . . . . 60.509999999999998 112.576 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.889 HG13 ' HE3' ' A' ' 44' ' ' TRP . 1.7 m -95.66 141.08 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.146 0.498 . . . . 74.439999999999998 111.639 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.592 HD22 ' HA ' ' A' ' 97' ' ' LEU . 34.1 tp -119.98 130.29 54.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.521 -0.763 . . . . 53.509999999999998 110.232 174.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.5 p -76.51 94.5 3.71 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.011 -0.54 . . . . 74.109999999999999 110.233 176.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 tptp . . . . . 0 C--N 1.324 -0.511 0 N-CA-C 109.492 -0.558 . . . . 75.439999999999998 109.492 179.526 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 108.084 -1.08 . . . . 75.319999999999993 108.084 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.643 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 65.7 m-20 -93.68 107.44 19.31 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.154 0.502 . . . . 74.349999999999994 110.562 -176.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.51 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 3.1 ptm180 -93.91 137.12 33.48 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.374 -0.83 . . . . 73.129999999999995 109.481 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.889 ' HE3' HG13 ' A' ' 29' ' ' VAL . 69.1 t-105 -93.0 112.88 25.0 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 109.614 -0.513 . . . . 75.140000000000001 109.614 -176.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 22.1 m -109.71 141.21 25.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-O 121.242 0.544 . . . . 74.25 110.792 -175.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.456 ' O ' HD12 ' A' ' 52' ' ' LEU . 36.4 t -131.44 118.55 40.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.106 -0.952 . . . . 65.010000000000005 110.689 -177.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.7 tt -103.29 121.78 43.43 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.525 -0.917 . . . . 75.019999999999996 108.525 174.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.4 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 57.6 tptt -169.01 141.95 2.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.695 -0.229 . . . . 72.0 110.472 -177.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.52 24.57 14.1 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.387 -0.369 . . . . 72.400000000000006 111.169 175.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.585 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 4.1 t-20 72.36 5.03 5.18 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.523 0.729 . . . . 61.219999999999999 110.593 -178.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.97 150.3 25.82 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.75 -0.659 . . . . 52.020000000000003 109.481 177.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 46' ' ' VAL . 32.1 tp -124.86 132.03 53.37 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.273 -0.64 . . . . 63.420000000000002 109.273 176.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.6 m -137.66 153.9 49.77 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.71 -0.677 . . . . 71.409999999999997 109.565 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.64 ' HB3' ' CZ3' ' A' ' 95' ' ' TRP . 0.7 OUTLIER -137.09 152.58 50.19 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.228 -0.589 . . . . 74.519999999999996 110.5 178.133 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.512 ' HD2' ' HD1' ' A' ' 44' ' ' TRP . 25.7 m-85 -129.35 167.43 17.77 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.236 -0.893 . . . . 73.25 108.592 -174.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.589 ' HB2' ' CG ' ' A' ' 63' ' ' TYR . 31.6 mmmt -58.02 -35.31 71.09 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 123.538 0.524 . . . . 53.149999999999999 111.413 -179.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.577 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 15.8 t -171.74 -168.44 0.59 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.396 -0.366 . . . . 73.430000000000007 110.043 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.433 ' C ' ' H ' ' A' ' 60' ' ' GLU . 35.4 tt0 -59.76 -28.48 67.43 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 123.349 0.66 . . . . 74.019999999999996 111.538 -173.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.527 ' OD2' ' HB3' ' A' ' 62' ' ' GLU . 12.7 t70 -78.59 48.8 0.82 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.893 0.854 . . . . 75.099999999999994 109.581 178.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 58' ' ' GLU . 3.3 pt-20 -46.13 -32.99 3.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.252 -1.34 . . . . 75.299999999999997 113.236 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 p -58.35 -45.81 87.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.785 0.326 . . . . 65.420000000000002 111.552 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.527 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.4 tp10 -85.29 -47.38 10.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.383 -0.371 . . . . 74.299999999999997 110.728 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.589 ' CG ' ' HB2' ' A' ' 56' ' ' LYS . 18.2 m-85 -60.9 -31.33 70.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.412 0.523 . . . . 74.329999999999998 112.412 -173.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.68 160.06 10.26 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.494 -0.86 . . . . 36.990000000000002 113.449 173.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.9 m -64.28 117.95 7.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.219 0.533 . . . . 72.019999999999996 110.596 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.456 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 24.1 mmt180 -105.18 -6.43 19.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.815 -0.629 . . . . 72.519999999999996 110.844 -178.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -164.63 146.01 10.9 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.318 -0.856 . . . . 63.299999999999997 111.178 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.6 t -151.8 125.64 9.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.866 0.365 . . . . 74.209999999999994 110.818 -178.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.489 HD12 ' CD1' ' A' ' 95' ' ' TRP . 28.6 pt -136.12 153.84 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.121 -0.49 . . . . 73.030000000000001 110.423 176.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 73.5 m -104.93 116.98 32.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.963 -0.562 . . . . 62.240000000000002 110.309 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.683 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . 8.3 mp -78.75 9.3 4.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.834 -0.621 . . . . 72.409999999999997 111.353 -174.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.0 m -66.03 -32.07 73.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.813 -0.63 . . . . 72.25 110.654 176.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -132.69 6.91 4.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.631 -0.713 . . . . 74.310000000000002 110.574 -179.053 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.683 ' HB2' ' HA ' ' A' ' 71' ' ' LEU . . . -79.93 125.59 29.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.917 -0.583 . . . . 75.530000000000001 110.162 177.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.3 t -83.35 120.14 34.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.846 0.355 . . . . 74.430000000000007 111.077 -174.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.529 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 53.7 mt -75.04 118.45 20.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.102 -0.499 . . . . 74.430000000000007 110.009 176.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.471 ' HB ' ' CG ' ' A' ' 87' ' ' ASP . 91.5 m -104.77 96.54 10.76 Favored Pre-proline 0 C--N 1.318 -0.767 0 N-CA-C 109.949 -0.389 . . . . 61.200000000000003 109.949 173.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.529 ' HD3' ' O ' ' A' ' 76' ' ' ILE . 6.1 Cg_exo -78.41 116.49 3.87 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.381 2.054 . . . . 64.5 110.619 176.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.517 ' HB2' ' HD2' ' A' ' 85' ' ' ARG . 4.1 t60 -59.13 132.02 52.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.999 0.428 . . . . 75.129999999999995 109.931 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -78.75 -32.87 46.82 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.25 0.547 . . . . 72.430000000000007 110.447 -173.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -75.99 -26.04 56.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.642 -0.708 . . . . 72.329999999999998 110.819 176.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.484 ' HB2' ' HB3' ' A' ' 85' ' ' ARG . 11.3 m-20 -117.58 107.48 14.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.38 -0.373 . . . . 75.310000000000002 111.105 -176.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 105' ' ' ARG . 47.1 mm-40 -64.59 -22.74 67.05 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.047 -0.524 . . . . 74.329999999999998 111.752 -177.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.628 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 64.4 m -104.02 -10.66 17.9 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.747 -0.381 . . . . 74.120000000000005 111.715 -177.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.517 ' HD2' ' HB2' ' A' ' 79' ' ' HIS . 2.0 ttm180 -93.19 142.29 27.47 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.45 -0.5 . . . . 65.549999999999997 110.933 -175.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.735 ' CE1' ' HB3' ' A' ' 97' ' ' LEU . 1.7 p90 -148.38 158.4 44.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.614 -0.721 . . . . 73.099999999999994 109.462 176.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.471 ' CG ' ' HB ' ' A' ' 77' ' ' THR . 3.4 p30 -137.04 127.33 26.39 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.272 0.558 . . . . 75.349999999999994 110.179 175.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.771 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 42.8 mm -86.05 99.16 7.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.826 -0.624 . . . . 74.120000000000005 110.419 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.0 p -95.72 103.1 14.96 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.563 0.697 . . . . 74.030000000000001 110.954 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.755 HG23 ' H ' ' A' ' 91' ' ' ASN . 7.4 p -117.31 -173.96 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.253 -1.017 . . . . 75.319999999999993 108.253 175.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.755 ' H ' HG23 ' A' ' 90' ' ' VAL . 17.3 m-20 -44.27 101.86 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.492 0.717 . . . . 65.120000000000005 112.002 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.4 t70 51.34 32.2 8.1 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 123.408 0.683 . . . . 65.099999999999994 112.051 177.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.477 ' HB2' ' CG1' ' A' ' 90' ' ' VAL . 39.3 m -146.33 107.44 4.18 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.012 -0.43 . . . . 72.310000000000002 110.579 178.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.8 t -106.77 114.61 46.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.779 -0.452 . . . . 65.299999999999997 109.779 177.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.771 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 21.9 m95 -103.08 96.06 6.54 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.215 -0.448 . . . . 71.519999999999996 111.735 -174.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -73.38 139.78 46.17 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.022 -0.535 . . . . 64.510000000000005 110.12 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.735 ' HB3' ' CE1' ' A' ' 86' ' ' PHE . 45.0 tp -165.07 176.36 8.61 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.782 -0.821 . . . . 71.310000000000002 108.782 175.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.554 ' H ' ' HG ' ' A' ' 97' ' ' LEU . 23.2 ttm-85 -154.72 150.27 27.43 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.692 -0.485 . . . . 61.439999999999998 109.692 -176.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.628 ' HB1' ' HB3' ' A' ' 84' ' ' CYS . . . -67.93 151.98 46.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.257 -0.428 . . . . 61.109999999999999 109.875 174.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.48 ' H ' HE21 ' A' ' 100' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 115.646 -0.706 . . . . 72.540000000000006 112.183 -177.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.471 ' O ' HG12 ' A' ' 109' ' ' ILE . 8.1 ptt180 . . . . . 0 N--CA 1.466 0.345 0 CA-C-O 120.791 0.329 . . . . 73.040000000000006 111.742 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -55.0 -26.15 34.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.903 -0.59 . . . . 74.219999999999999 112.403 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -49.18 -56.29 9.71 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 122.335 1.064 . . . . 74.329999999999998 109.964 171.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.555 ' CH2' ' HG2' ' A' ' 26' ' ' ARG . 8.3 m95 -78.95 -39.72 33.79 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 113.77 -1.559 . . . . 74.140000000000001 109.782 -170.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 105' ' ' ARG . 39.8 mm -55.65 -52.78 44.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.959 -0.564 . . . . 73.340000000000003 109.779 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.17 -50.76 69.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.411 -0.359 . . . . 51.539999999999999 111.498 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.78 -55.84 27.65 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-O 121.533 0.682 . . . . 75.099999999999994 111.148 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.675 HG12 HD23 ' A' ' 71' ' ' LEU . 55.1 mt -65.03 -51.55 64.86 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 CA-C-N 115.75 -0.659 . . . . 75.0 110.703 -176.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.64 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 4.9 mm-40 -50.63 -44.67 57.39 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.176 0.512 . . . . 72.239999999999995 111.4 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -76.45 -18.79 58.61 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.087 -0.506 . . . . 55.340000000000003 111.591 -177.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.585 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 11.2 m-70 -97.07 -23.86 16.05 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 114.143 1.164 . . . . 73.510000000000005 114.143 176.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.64 ' HE2' ' O ' ' A' ' 113' ' ' GLU . 0.0 OUTLIER -86.14 169.76 12.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 118.662 0.664 . . . . 73.319999999999993 111.563 -176.622 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 66.9 p . . . . . 0 C--O 1.252 1.235 0 CA-C-N 115.023 -0.99 . . . . 62.420000000000002 110.617 -174.027 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.624 ' HG2' ' HA ' ' A' ' 48' ' ' LYS . 4.0 mm-40 . . . . . 0 CA--C 1.52 -0.183 0 CA-C-O 121.271 0.558 . . . . 54.530000000000001 110.2 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.675 ' HE ' ' HA ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -141.03 119.51 12.3 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.322 -0.621 . . . . 75.349999999999994 109.322 177.84 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 3.6 p -135.88 115.33 12.68 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.471 -0.331 . . . . 74.430000000000007 110.199 -179.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -168.48 163.51 37.23 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 119.861 -1.161 . . . . 61.420000000000002 113.065 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.85 HG12 ' HE3' ' A' ' 44' ' ' TRP . 4.5 m -92.74 143.85 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.893 0.378 . . . . 74.400000000000006 110.566 176.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.588 ' O ' ' HA ' ' A' ' 42' ' ' ASP . 2.5 pt? -139.7 165.57 26.91 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.984 -0.553 . . . . 62.5 110.545 177.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.9 p -97.37 110.77 23.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.409 0.623 . . . . 64.040000000000006 111.345 -174.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.8 tptm . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 115.933 -0.576 . . . . 75.430000000000007 109.845 176.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 120.953 0.406 . . . . 74.129999999999995 110.425 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.588 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 8.5 p-10 -94.35 136.47 34.61 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.541 -0.754 . . . . 74.239999999999995 110.91 -173.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.565 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 18.9 ptp180 -130.41 150.06 51.81 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.123 -0.944 . . . . 74.329999999999998 109.205 176.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.85 ' HE3' HG12 ' A' ' 29' ' ' VAL . 63.4 t-105 -99.47 120.4 39.56 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 123.463 0.477 . . . . 71.200000000000003 109.964 -175.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.487 HG11 ' HB2' ' A' ' 54' ' ' TYR . 29.0 m -116.5 144.15 24.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.086 0.469 . . . . 74.340000000000003 111.03 -177.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.564 ' O ' HD13 ' A' ' 52' ' ' LEU . 77.2 t -130.0 115.23 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.1 -0.955 . . . . 75.200000000000003 111.247 -176.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -101.09 123.47 45.3 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.64 -0.874 . . . . 74.549999999999997 108.64 175.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.624 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 60.6 pttt -177.77 160.0 1.47 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 110.082 -0.34 . . . . 75.310000000000002 110.082 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 56.67 26.14 10.9 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.281 0.474 . . . . 60.509999999999998 112.281 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.556 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 2.8 t-20 67.89 13.64 9.22 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.381 0.61 . . . . 74.329999999999998 110.479 -177.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -123.39 172.08 8.95 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.744 -0.662 . . . . 75.120000000000005 110.21 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.564 HD13 ' O ' ' A' ' 46' ' ' VAL . 56.0 tp -143.43 138.75 29.55 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.962 -0.563 . . . . 72.409999999999997 109.511 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.6 p -142.77 151.45 41.24 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 110.058 -0.349 . . . . 75.099999999999994 110.058 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.647 ' HB3' ' CZ3' ' A' ' 95' ' ' TRP . 1.4 p90 -131.71 151.42 51.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.47 0.652 . . . . 74.420000000000002 110.922 177.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.488 ' HD1' ' HD1' ' A' ' 44' ' ' TRP . 15.5 m-85 -133.41 173.73 11.16 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.878 -1.055 . . . . 74.430000000000007 109.317 -174.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -62.78 -49.8 73.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.664 -0.698 . . . . 71.409999999999997 111.277 178.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.635 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 50.5 m -147.44 179.79 7.41 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.296 -0.411 . . . . 70.329999999999998 110.44 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.408 ' HG3' ' CH2' ' A' ' 44' ' ' TRP . 38.7 tt0 -60.19 -26.69 66.55 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.967 0.728 . . . . 73.5 112.967 -171.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.547 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 16.3 t70 -52.08 -37.74 54.89 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.054 0.39 . . . . 62.539999999999999 112.054 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 59.46 -63.59 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.286 1.034 . . . . 72.540000000000006 113.629 -173.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.4 t -49.25 -51.9 30.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 114.042 1.127 . . . . 74.329999999999998 114.042 -163.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -100.2 16.27 24.8 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.883 -0.727 . . . . 44.299999999999997 111.267 -177.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.635 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 20.7 m-85 -106.91 -8.04 16.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.625 -0.716 . . . . 73.120000000000005 109.859 172.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.34 -114.61 3.89 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.617 -0.72 . . . . 52.109999999999999 112.428 171.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 41.6 t -169.32 112.88 0.52 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.335 -0.987 . . . . 73.319999999999993 108.335 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -91.35 -11.35 38.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.916 0.389 . . . . 71.109999999999999 111.465 -170.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 178.01 145.22 5.85 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.21 -0.756 . . . . 62.399999999999999 111.21 177.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.5 t -154.81 139.66 17.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.055 0.455 . . . . 75.299999999999997 110.307 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.479 ' HB ' HG12 ' A' ' 90' ' ' VAL . 38.6 pt -134.9 171.22 18.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.677 -0.692 . . . . 74.010000000000005 110.234 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.479 ' HB3' ' HD3' ' A' ' 73' ' ' LYS . 8.8 t -120.88 132.28 54.88 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.783 -0.451 . . . . 73.040000000000006 109.783 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.579 ' HG ' HG12 ' A' ' 112' ' ' ILE . 4.2 mm? -77.82 -1.69 32.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.29 -0.414 . . . . 74.209999999999994 111.484 -176.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.4 m -66.02 -26.94 67.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.212 -0.449 . . . . 63.039999999999999 110.949 177.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.479 ' HD3' ' HB3' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -127.13 -10.33 5.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 72.030000000000001 111.554 -177.761 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.737 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -70.83 141.44 51.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.885 0.374 . . . . 54.530000000000001 111.454 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.5 t -106.16 126.4 61.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.069 -0.514 . . . . 71.010000000000005 110.438 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.423 HD13 ' CD1' ' A' ' 112' ' ' ILE . 59.4 mt -80.64 117.39 26.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.028 -0.533 . . . . 63.420000000000002 110.011 177.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.68 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 6.5 m -111.57 99.43 44.52 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 116.133 -0.485 . . . . 74.340000000000003 110.637 -177.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -65.14 134.8 40.9 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.47 2.114 . . . . 74.450000000000003 112.201 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -86.47 114.72 23.46 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.043 -0.725 . . . . 75.329999999999998 109.043 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -75.26 -30.4 60.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.76 0.314 . . . . 71.340000000000003 111.208 -173.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -70.07 -15.4 62.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.246 0.546 . . . . 74.310000000000002 109.812 174.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -115.5 -174.32 2.49 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.204 -1.036 . . . . 65.430000000000007 108.204 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -134.27 -19.44 1.94 Allowed 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.166 0.508 . . . . 71.349999999999994 109.923 178.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.711 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 59.1 m -122.46 1.42 9.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.741 -0.663 . . . . 61.149999999999999 110.951 -177.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.502 ' HB2' ' HG3' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -95.59 133.0 40.14 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.425 0.631 . . . . 52.109999999999999 111.081 -179.709 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -138.9 118.17 12.73 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.938 -1.028 . . . . 74.209999999999994 110.421 -174.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.68 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 12.9 t70 -90.28 119.3 30.47 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.814 -1.084 . . . . 74.25 110.11 -176.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.829 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 20.2 mm -96.73 110.24 24.48 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 N-CA-C 109.488 -0.56 . . . . 72.109999999999999 109.488 -178.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.8 p -115.45 123.32 48.3 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 119.767 -0.773 . . . . 74.030000000000001 111.506 -176.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.741 HG23 HD21 ' A' ' 91' ' ' ASN . 9.2 p -164.04 136.63 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.342 -0.845 . . . . 72.129999999999995 109.401 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.741 HD21 HG23 ' A' ' 90' ' ' VAL . 28.0 m-80 60.02 23.55 12.71 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.019 0.378 . . . . 70.530000000000001 112.019 178.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.515 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 13.7 t70 75.09 -7.35 1.78 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.717 0.635 . . . . 72.239999999999995 111.285 -174.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.9 m -79.09 119.58 22.42 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.161 -0.681 . . . . 71.439999999999998 109.161 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.39 120.09 59.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.144 -0.48 . . . . 64.040000000000006 110.729 -175.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.829 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 35.2 m95 -115.09 106.84 14.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.955 0.407 . . . . 72.530000000000001 111.024 -175.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -83.18 94.23 7.82 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.581 -0.281 . . . . 73.439999999999998 110.687 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.14 153.01 17.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.368 -0.378 . . . . 75.150000000000006 110.097 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.502 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 7.1 ttp85 -149.67 146.68 27.39 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.887 -0.412 . . . . 75.109999999999999 109.887 176.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.711 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . . . -68.19 152.8 44.93 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.17 -0.468 . . . . 74.120000000000005 110.055 174.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 C--N 1.325 -0.458 0 N-CA-C 109.977 -0.379 . . . . 73.439999999999998 109.977 -176.539 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 112.894 0.701 . . . . 74.109999999999999 112.894 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -56.67 -24.3 47.88 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.032 0.382 . . . . 65.109999999999999 112.032 -174.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -57.49 -48.47 79.13 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.223 0.535 . . . . 73.340000000000003 109.634 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.508 ' CH2' ' HG2' ' A' ' 26' ' ' ARG . 13.9 m95 -72.09 -48.38 44.44 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.33 -0.85 . . . . 74.420000000000002 109.426 -174.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 26.5 mm -56.01 -56.28 13.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.178 -0.919 . . . . 65.140000000000001 110.316 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -60.48 -50.87 71.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.752 -0.658 . . . . 62.450000000000003 111.297 -177.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.96 -55.13 34.11 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.194 0.521 . . . . 74.519999999999996 111.031 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.579 HG12 ' HG ' ' A' ' 71' ' ' LEU . 61.1 mt -65.89 -51.88 55.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.994 -0.548 . . . . 73.340000000000003 111.396 -175.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -60.43 -29.25 68.89 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.05 0.389 . . . . 73.319999999999993 112.05 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -86.33 -23.19 26.33 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.709 -0.396 . . . . 74.319999999999993 111.778 177.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.556 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 58.1 m-70 -94.58 -18.22 21.61 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.506 0.928 . . . . 73.209999999999994 113.506 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.462 ' HE3' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -63.26 160.88 14.81 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.114 0.483 . . . . 74.510000000000005 111.948 -177.234 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.633 -1.175 . . . . 75.049999999999997 109.193 -176.172 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 . . . . . 0 CA--C 1.521 -0.146 0 CA-C-O 121.431 0.634 . . . . 71.299999999999997 110.122 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.711 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 7.4 tpm_? -136.8 121.24 18.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.685 -0.689 . . . . 72.129999999999995 110.494 175.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.2 p -127.46 116.97 21.24 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.245 -1.02 . . . . 70.510000000000005 108.245 170.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.54 169.88 40.81 Favored Glycine 0 CA--C 1.506 -0.506 0 C-N-CA 119.746 -1.216 . . . . 74.510000000000005 112.713 -178.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.593 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 5.4 m -92.24 136.21 25.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.445 0.64 . . . . 75.109999999999999 111.804 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.8 tp -108.13 118.91 38.0 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.96 -1.018 . . . . 73.040000000000006 108.914 175.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -88.46 102.05 14.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.933 -0.576 . . . . 74.310000000000002 110.491 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.3 tptt . . . . . 0 C--N 1.326 -0.433 0 N-CA-C 108.741 -0.837 . . . . 75.349999999999994 108.741 -177.929 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 . . . . . 0 N--CA 1.445 -0.719 0 N-CA-C 108.123 -1.065 . . . . 75.040000000000006 108.123 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.593 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 8.2 p-10 -93.25 132.37 37.49 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.097 0.475 . . . . 72.010000000000005 110.291 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.466 ' HD2' ' CD2' ' A' ' 54' ' ' TYR . 25.4 ptt180 -122.76 150.72 42.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.842 -0.617 . . . . 75.030000000000001 109.737 177.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.416 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 61.9 t-105 -92.49 116.99 29.48 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.726 -0.389 . . . . 70.209999999999994 110.938 -171.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.1 m -110.61 140.12 31.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.145 0.497 . . . . 62.229999999999997 110.775 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 42.1 t -131.59 124.71 54.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.314 -0.857 . . . . 70.299999999999997 111.045 -177.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.1 tp -109.37 127.42 54.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.047 -0.524 . . . . 54.399999999999999 110.224 176.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -163.22 156.92 19.75 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.62 -0.264 . . . . 64.430000000000007 110.418 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.701 ' O ' ' HB3' ' A' ' 115' ' ' HIS . 14.9 m120 70.42 -74.29 0.09 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.729 0.812 . . . . 75.420000000000002 110.563 -179.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -176.71 22.71 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 106.543 -1.651 . . . . 63.119999999999997 106.543 171.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.19 147.02 51.87 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.064 -1.425 . . . . 72.549999999999997 110.306 -173.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' A' ' 68' ' ' SER . 30.9 tp -113.95 133.76 55.27 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.838 -0.619 . . . . 74.400000000000006 109.948 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 m -127.23 166.52 17.58 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.034 -0.53 . . . . 73.430000000000007 109.599 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.466 ' CD2' ' HD2' ' A' ' 43' ' ' ARG . 1.4 p90 -150.25 150.7 31.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.324 0.583 . . . . 64.109999999999999 111.257 175.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -131.22 179.64 5.89 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.798 -1.092 . . . . 72.540000000000006 108.548 -178.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.424 ' HB2' ' CD1' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -64.43 -44.37 91.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.627 0.251 . . . . 74.420000000000002 111.566 177.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.7 t -162.74 -171.32 2.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.555 -0.293 . . . . 72.450000000000003 110.45 -176.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.61 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 22.7 tt0 -54.57 -37.14 65.13 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.036 0.754 . . . . 74.420000000000002 113.036 -173.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.583 ' OD1' ' HG2' ' A' ' 62' ' ' GLU . 11.4 t70 -47.58 -46.06 27.77 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.472 0.545 . . . . 70.209999999999994 112.472 -174.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.61 ' HG3' ' O ' ' A' ' 58' ' ' GLU . 38.5 mt-10 62.98 -51.42 0.19 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.476 1.11 . . . . 73.439999999999998 113.774 -176.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.1 t -61.33 -40.22 93.44 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.288 0.847 . . . . 65.329999999999998 113.288 -166.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.583 ' HG2' ' OD1' ' A' ' 59' ' ' ASP . 11.0 pt-20 -89.87 6.85 40.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.49 0.662 . . . . 63.210000000000001 110.103 -179.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.525 ' CE2' ' HB3' ' A' ' 59' ' ' ASP . 22.4 m-85 -108.12 -33.12 7.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.198 -0.91 . . . . 73.200000000000003 110.131 178.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.02 -86.27 1.28 Allowed Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.218 -0.753 . . . . 54.409999999999997 111.218 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.2 t -172.13 133.2 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.537 -0.912 . . . . 73.319999999999993 108.537 174.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.519 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 9.9 mmm180 -96.38 -33.17 12.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.013 0.435 . . . . 74.340000000000003 110.909 -176.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -169.57 155.6 25.84 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.728 -0.748 . . . . 50.310000000000002 111.808 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 51.7 p -155.81 134.6 11.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.529 0.204 . . . . 65.329999999999998 110.784 -178.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.7 pt -127.46 157.07 39.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.38 -0.373 . . . . 64.140000000000001 110.359 178.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.511 ' HB3' ' HE2' ' A' ' 73' ' ' LYS . 39.7 t -102.53 133.45 47.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.868 0.366 . . . . 72.230000000000004 110.124 177.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.557 HD12 ' HB1' ' A' ' 74' ' ' ALA . 4.3 mm? -80.66 4.78 17.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.239 -0.437 . . . . 51.549999999999997 111.279 -178.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.2 t -77.89 -23.24 48.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.925 0.393 . . . . 62.200000000000003 110.241 177.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.511 ' HE2' ' HB3' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -133.21 11.23 4.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.308 -0.405 . . . . 73.310000000000002 111.126 177.635 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.557 ' HB1' HD12 ' A' ' 71' ' ' LEU . . . -94.73 128.49 41.45 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.427 -0.583 . . . . 71.010000000000005 109.427 175.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.4 t -90.56 123.67 42.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.853 0.359 . . . . 73.140000000000001 111.173 -176.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.442 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 57.1 mt -82.38 104.63 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.12 -0.491 . . . . 74.230000000000004 110.021 174.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.793 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 8.9 m -98.3 104.56 23.9 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 116.074 -0.512 . . . . 73.030000000000001 110.337 177.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 76' ' ' ILE . 33.7 Cg_exo -61.44 128.87 26.14 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.516 2.144 . . . . 74.040000000000006 111.781 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.767 ' HB3' ' HB3' ' A' ' 85' ' ' ARG . 4.4 t60 -86.48 141.28 29.21 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.757 -0.831 . . . . 75.329999999999998 108.757 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -93.59 -42.82 9.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.994 0.426 . . . . 55.329999999999998 111.161 -174.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -60.51 -26.21 66.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.661 -0.7 . . . . 73.430000000000007 110.563 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.737 ' HB3' ' HB2' ' A' ' 85' ' ' ARG . 26.1 t0 -128.99 121.84 28.81 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 108.894 -0.78 . . . . 72.420000000000002 108.894 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.53 -19.18 60.97 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 123.68 0.612 . . . . 73.030000000000001 110.357 -176.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.666 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . 67.2 m -103.84 -2.96 25.5 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.685 -0.689 . . . . 62.409999999999997 111.135 -177.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.767 ' HB3' ' HB3' ' A' ' 79' ' ' HIS . 1.4 tpp180 -87.63 136.84 32.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 64.230000000000004 111.966 -177.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.757 ' HE2' ' HB2' ' A' ' 105' ' ' ARG . 42.2 m-85 -135.39 125.52 26.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.23 0.538 . . . . 72.109999999999999 110.676 174.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.793 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 9.4 t70 -92.49 103.08 15.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.171 -0.922 . . . . 70.150000000000006 110.019 -178.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.809 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 29.0 mm -91.04 93.07 4.17 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 CA-C-N 115.839 -0.619 . . . . 72.510000000000005 110.207 -178.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.26 107.82 17.72 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 121.816 0.817 . . . . 60.409999999999997 112.186 -174.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.684 HG23 ' H ' ' A' ' 91' ' ' ASN . 9.8 p -100.24 -174.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 106.66 -1.607 . . . . 65.349999999999994 106.66 167.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.684 ' H ' HG23 ' A' ' 90' ' ' VAL . 1.3 p-10 -55.72 121.39 9.04 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 118.794 0.725 . . . . 65.099999999999994 110.865 175.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.7 t70 75.32 -39.78 0.41 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.286 -1.324 . . . . 72.519999999999996 112.693 173.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.4 m -97.13 122.33 40.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 75.409999999999997 111.732 -171.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.9 t -118.0 121.4 67.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.962 -0.563 . . . . 75.319999999999993 110.077 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.809 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 30.4 m95 -112.72 105.21 13.3 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.677 0.275 . . . . 72.099999999999994 110.648 -175.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -80.67 83.76 6.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.422 -0.354 . . . . 74.0 110.262 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.1 mt -84.46 161.21 20.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.118 -0.492 . . . . 72.140000000000001 109.909 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.475 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 5.2 ttt180 -157.3 151.93 25.38 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.874 -0.33 . . . . 72.549999999999997 110.432 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.666 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . . . -62.53 139.94 58.62 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.39 -0.596 . . . . 63.420000000000002 109.39 171.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 116.281 -0.418 . . . . 63.420000000000002 110.772 -174.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.757 ' HB2' ' HE2' ' A' ' 86' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.47 0 N-CA-C 112.143 0.423 . . . . 54.32 112.143 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -64.2 -5.62 5.26 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.99 0.367 . . . . 64.099999999999994 111.99 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -51.42 -46.73 63.04 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.109 -0.7 . . . . 70.409999999999997 109.109 170.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.711 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 14.1 m95 -68.83 -46.84 67.52 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.347 -0.842 . . . . 74.319999999999993 109.281 -176.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 23.8 mm -57.49 -60.4 2.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.147 -0.933 . . . . 72.510000000000005 110.289 -177.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.8 -51.55 69.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.242 -0.435 . . . . 73.409999999999997 110.997 -176.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.11 -57.68 11.52 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.968 0.413 . . . . 72.340000000000003 111.031 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 49.8 mt -62.96 -53.07 51.3 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.66 0 CA-C-N 116.412 -0.358 . . . . 75.530000000000001 110.942 -176.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -55.73 -36.0 66.77 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.704 0.288 . . . . 72.340000000000003 111.599 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -76.85 -30.36 56.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.742 0.306 . . . . 62.530000000000001 111.172 177.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.701 ' HB3' ' O ' ' A' ' 49' ' ' ASN . 10.0 m-70 -90.15 -20.26 23.29 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.805 1.039 . . . . 74.510000000000005 113.805 -175.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.44 ' H ' ' HG3' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -76.68 159.09 30.51 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.588 0.709 . . . . 43.32 112.221 -176.658 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 46.4 p . . . . . 0 C--O 1.25 1.104 0 CA-C-N 114.803 -1.09 . . . . 72.200000000000003 110.543 -177.037 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 120.881 0.372 . . . . 55.240000000000002 111.64 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 3.9 tpm_? -141.67 122.95 14.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.44 -0.346 . . . . 72.109999999999999 110.451 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.2 p -146.52 101.75 3.5 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.178 -0.465 . . . . 73.329999999999998 110.26 174.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.96 167.67 39.53 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.63 -0.795 . . . . 50.149999999999999 112.363 -176.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.852 HG11 ' HE3' ' A' ' 44' ' ' TRP . 2.9 m -84.79 132.85 30.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.529 0.681 . . . . 74.329999999999998 111.74 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.552 HD22 HD12 ' A' ' 97' ' ' LEU . 61.7 tp -110.75 126.72 54.88 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.098 -0.955 . . . . 74.299999999999997 109.353 177.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.544 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 14.4 p -85.76 114.9 23.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.939 0.399 . . . . 60.310000000000002 110.817 178.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.449 ' HZ2' ' NH2' ' A' ' 85' ' ' ARG . 48.2 tptt . . . . . 0 C--N 1.324 -0.541 0 N-CA-C 108.742 -0.836 . . . . 61.439999999999998 108.742 178.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.544 ' O ' ' HA ' ' A' ' 31' ' ' SER . 16.8 mm-40 . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 121.086 0.469 . . . . 55.43 110.845 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.625 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 42.2 m-20 -103.96 116.31 32.02 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.115 -0.948 . . . . 73.549999999999997 109.878 -178.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.7 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 11.6 ptm180 -107.94 132.52 53.4 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.704 -0.68 . . . . 74.109999999999999 109.662 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.852 ' HE3' HG11 ' A' ' 29' ' ' VAL . 68.5 t-105 -81.07 110.1 16.27 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.506 -0.553 . . . . 71.129999999999995 109.506 -176.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.583 HG12 HD11 ' A' ' 97' ' ' LEU . 3.0 t -108.65 128.34 64.43 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-O 121.21 0.529 . . . . 73.450000000000003 111.101 -173.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.564 ' O ' HD12 ' A' ' 52' ' ' LEU . 45.9 t -124.52 125.14 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.238 -0.892 . . . . 74.120000000000005 111.082 -178.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.442 HD21 HD11 ' A' ' 52' ' ' LEU . 3.3 tm? -121.9 119.45 31.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.813 -0.63 . . . . 70.439999999999998 109.839 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -174.88 179.66 1.59 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.237 0.335 . . . . 75.109999999999999 111.069 175.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 62.68 -75.92 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.45 0.7 . . . . 63.299999999999997 111.185 -175.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 3.7 t-20 -179.75 28.72 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 105.811 -1.922 . . . . 71.030000000000001 105.811 172.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -139.31 151.35 46.34 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 113.987 -1.46 . . . . 74.209999999999994 110.662 -173.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 46' ' ' VAL . 62.5 tp -120.28 132.15 55.2 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.789 -1.096 . . . . 74.409999999999997 108.711 177.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.503 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 20.3 m -141.67 135.38 29.84 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.414 -0.357 . . . . 64.340000000000003 110.08 -174.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.7 ' HD2' ' HB2' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -127.06 154.7 44.35 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.421 -0.512 . . . . 75.120000000000005 110.841 -179.127 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.433 ' CD1' ' HD1' ' A' ' 44' ' ' TRP . 10.1 m-85 -135.02 175.26 9.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.432 -0.803 . . . . 72.219999999999999 109.792 -172.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.546 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . 3.4 mmpt? -61.85 -53.01 61.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 71.120000000000005 111.319 178.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.551 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 69.9 m -154.75 -164.25 1.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.63 -0.259 . . . . 70.450000000000003 110.726 -178.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -66.81 -33.64 76.06 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.331 0.493 . . . . 75.239999999999995 112.331 -168.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -78.14 53.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 122.184 0.993 . . . . 74.329999999999998 109.262 175.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.73 -20.36 3.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.048 -1.433 . . . . 73.340000000000003 113.728 -177.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.7 t -64.77 -45.63 85.56 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.611 0.226 . . . . 74.409999999999997 111.611 -178.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -86.96 -24.79 24.62 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.224 0.535 . . . . 64.25 110.393 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 18.5 m-85 -78.31 -23.41 47.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.122 -0.49 . . . . 74.430000000000007 111.697 -175.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.36 153.12 3.78 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.998 -0.62 . . . . 70.319999999999993 113.211 173.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.4 p -71.92 104.59 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.44 0.638 . . . . 65.150000000000006 110.395 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.447 ' HA ' ' HD3' ' A' ' 66' ' ' ARG . 20.4 mmt180 -77.26 -40.62 44.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.24 -0.891 . . . . 72.340000000000003 110.464 -177.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.503 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -134.98 130.46 5.48 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 110.515 -1.034 . . . . 61.119999999999997 110.515 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.4 p -144.59 115.28 7.72 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.17 0.509 . . . . 74.120000000000005 110.277 -176.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.458 HD12 ' CD1' ' A' ' 95' ' ' TRP . 18.7 pt -121.22 151.42 24.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.898 -0.592 . . . . 72.219999999999999 111.654 -177.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 67.7 m -99.35 122.9 43.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.222 -0.899 . . . . 53.240000000000002 109.549 178.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.971 HD21 HG12 ' A' ' 112' ' ' ILE . 7.9 mp -85.98 27.24 0.91 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.803 -0.635 . . . . 75.219999999999999 111.288 -173.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.8 m -78.38 -28.95 47.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.805 -0.634 . . . . 63.409999999999997 110.051 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.72 14.69 3.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.575 -0.739 . . . . 74.349999999999994 110.582 -177.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.8 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -71.74 124.85 25.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.763 -0.653 . . . . 74.0 110.743 177.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.8 t -85.39 119.2 33.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.842 -0.617 . . . . 75.120000000000005 110.569 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.3 mt -80.68 108.84 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.26 0.552 . . . . 73.219999999999999 109.855 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.7 m -113.5 108.02 52.56 Favored Pre-proline 0 C--N 1.316 -0.868 0 CA-C-N 115.423 -0.808 . . . . 73.150000000000006 111.175 -174.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -59.9 131.19 38.26 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.047 1.831 . . . . 72.219999999999999 110.681 174.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.499 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 32.5 t60 -76.96 153.45 34.58 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.965 -0.694 . . . . 75.530000000000001 109.972 -178.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.15 -69.28 0.54 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.99 -0.55 . . . . 74.209999999999994 111.113 -172.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -70.62 -34.86 72.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.152 0.501 . . . . 75.319999999999993 111.071 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.499 ' H ' ' HD2' ' A' ' 79' ' ' HIS . 7.7 m-20 -98.45 113.68 25.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.016 -0.538 . . . . 73.109999999999999 109.884 -177.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -82.35 -27.12 32.36 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.124 0.488 . . . . 65.140000000000001 110.903 -176.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 98' ' ' ARG . 20.1 m -86.69 1.2 52.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.342 0.591 . . . . 65.120000000000005 109.556 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.812 ' HD2' ' HB3' ' A' ' 96' ' ' TYR . 9.7 tpp180 -104.87 129.35 53.22 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.989 -1.005 . . . . 72.5 111.193 -175.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.521 ' CE1' ' HG3' ' A' ' 105' ' ' ARG . 5.4 m-85 -127.92 125.84 40.35 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.255 -0.884 . . . . 74.319999999999993 109.027 174.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.48 ' HA ' ' O ' ' A' ' 95' ' ' TRP . 27.4 t0 -102.21 129.07 48.5 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.023 -0.989 . . . . 70.25 111.002 -173.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.59 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 4.3 mp -104.73 106.77 21.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 CA-C-N 114.658 -1.156 . . . . 72.439999999999998 109.372 -176.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.8 m -106.74 116.38 31.83 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.434 0.635 . . . . 73.430000000000007 111.352 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.8 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 11.5 p -159.16 145.76 7.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 108.554 -0.906 . . . . 62.350000000000001 108.554 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 12.3 m120 63.94 21.16 12.52 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.456 0.169 . . . . 74.349999999999994 111.456 177.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 31.4 t70 72.05 -1.07 3.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.438 0.637 . . . . 54.310000000000002 110.669 -172.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.3 m -89.28 128.29 35.85 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 109.659 -0.497 . . . . 63.009999999999998 109.659 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.4 t -110.28 122.73 65.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.706 -0.679 . . . . 72.209999999999994 110.426 -175.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.659 ' HZ3' ' HB3' ' A' ' 54' ' ' TYR . 44.0 m95 -119.46 101.59 8.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.776 0.322 . . . . 74.439999999999998 111.858 -174.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.812 ' HB3' ' HD2' ' A' ' 85' ' ' ARG . 52.6 m-85 -83.83 91.94 7.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.599 -0.273 . . . . 71.420000000000002 110.908 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.583 HD11 HG12 ' A' ' 45' ' ' VAL . 4.3 mm? -96.32 159.69 14.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.74 0.305 . . . . 71.109999999999999 110.988 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 3.2 mtm180 -135.33 149.77 49.82 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.03 -0.359 . . . . 75.299999999999997 110.03 176.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.84 142.69 51.24 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.8 -0.444 . . . . 71.109999999999999 109.8 175.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 72.319999999999993 110.336 -178.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.521 ' HG3' ' CE1' ' A' ' 86' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.375 0 N-CA-C 112.435 0.532 . . . . 75.200000000000003 112.435 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -53.26 -17.33 1.68 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.424 -0.353 . . . . 75.430000000000007 111.836 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -50.83 -52.42 41.46 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.075 0.464 . . . . 74.439999999999998 110.338 173.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.443 ' O ' HG13 ' A' ' 112' ' ' ILE . 14.6 m95 -71.91 -42.88 66.21 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.565 -0.743 . . . . 74.340000000000003 109.62 -174.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 28.1 mm -58.77 -60.73 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.365 -0.834 . . . . 75.140000000000001 109.98 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -54.41 -48.0 72.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.819 -0.628 . . . . 63.130000000000003 111.401 -179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.96 -62.29 1.75 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.465 -0.334 . . . . 74.140000000000001 110.928 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.971 HG12 HD21 ' A' ' 71' ' ' LEU . 26.1 mt -62.88 -50.37 79.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.624 0 C-N-CA 121.049 -0.26 . . . . 75.109999999999999 110.859 -175.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.564 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 7.6 mm-40 -55.06 -37.98 67.44 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.848 0.356 . . . . 72.010000000000005 111.69 -177.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -85.58 -17.65 35.64 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.811 0.339 . . . . 70.329999999999998 111.461 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -91.43 -29.84 16.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.305 0.854 . . . . 72.329999999999998 113.305 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.615 ' C ' ' HE3' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -86.24 179.45 6.91 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.436 -0.506 . . . . 73.109999999999999 111.439 -176.483 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 C--O 1.251 1.138 0 CA-C-N 115.977 -0.556 . . . . 74.120000000000005 110.09 -178.307 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.766 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 9.2 pt-20 . . . . . 0 N--CA 1.445 -0.695 0 CA-C-O 121.119 0.485 . . . . 71.109999999999999 111.103 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 2.8 tpm_? -110.16 111.57 22.99 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.428 -0.953 . . . . 64.209999999999994 108.428 165.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.608 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 2.3 p -118.8 109.21 15.78 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 123.573 0.546 . . . . 61.43 110.218 -177.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -161.58 161.89 33.51 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.337 -0.935 . . . . 62.329999999999998 112.415 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.865 HG11 ' HE3' ' A' ' 44' ' ' TRP . 0.3 OUTLIER -88.18 133.17 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.733 0.778 . . . . 74.540000000000006 111.709 179.793 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.43 HD23 HD23 ' A' ' 97' ' ' LEU . 57.6 tp -104.56 119.86 39.95 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.76 -1.109 . . . . 75.129999999999995 109.576 177.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.8 m -83.56 98.92 9.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.852 -0.613 . . . . 62.140000000000001 109.907 176.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HE3' ' CD1' ' A' ' 96' ' ' TYR . 25.5 tptp . . . . . 0 C--N 1.32 -0.691 0 N-CA-C 109.496 -0.557 . . . . 72.25 109.496 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 109.806 -0.442 . . . . 64.099999999999994 109.806 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.429 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 16.1 m-20 -106.49 96.12 6.23 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.507 -0.77 . . . . 72.140000000000001 109.335 -178.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.489 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 16.7 ptp180 -93.37 139.24 30.89 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.413 -0.812 . . . . 75.450000000000003 110.387 -175.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.865 ' HE3' HG11 ' A' ' 29' ' ' VAL . 67.3 t-105 -94.05 112.12 23.91 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.487 -0.485 . . . . 75.019999999999996 110.747 -171.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.731 HG21 HD11 ' A' ' 97' ' ' LEU . 17.1 m -105.25 142.78 17.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 120.924 0.393 . . . . 72.420000000000002 110.917 -174.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 52.9 t -131.03 117.04 35.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.491 -0.777 . . . . 61.350000000000001 110.804 178.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.766 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 5.7 tt -108.24 105.83 15.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.458 -0.337 . . . . 75.519999999999996 110.152 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 49' ' ' ASN . 57.6 tttt -162.3 168.38 22.37 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.814 -0.439 . . . . 63.43 109.814 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 48' ' ' LYS . 16.6 m120 71.38 -72.63 0.11 Allowed 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.17 -0.678 . . . . 62.219999999999999 109.17 -172.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.563 ' HA ' ' HB3' ' A' ' 115' ' ' HIS . 3.5 t-20 177.5 23.78 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.207 -1.405 . . . . 75.209999999999994 107.207 170.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -133.86 147.14 51.14 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 114.658 -1.155 . . . . 72.109999999999999 110.175 -176.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' A' ' 47' ' ' LEU . 63.8 tp -109.81 125.56 52.86 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.619 -0.882 . . . . 74.530000000000001 108.619 173.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 8.6 m -133.87 131.85 39.65 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.022 -0.535 . . . . 65.319999999999993 109.751 -172.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.489 ' HD2' ' HB2' ' A' ' 43' ' ' ARG . 3.6 p90 -116.35 152.91 32.95 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.001 -0.68 . . . . 75.420000000000002 111.448 -177.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -122.85 170.53 10.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.073 -0.967 . . . . 75.140000000000001 108.877 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 63' ' ' TYR . 3.4 tmtp? -60.28 -43.04 96.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.806 -0.633 . . . . 73.540000000000006 110.591 -178.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.631 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 41.2 m -154.72 -178.99 7.59 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.572 -0.285 . . . . 72.340000000000003 110.891 -178.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 38.8 tt0 -59.32 -29.43 67.63 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.947 0.721 . . . . 64.329999999999998 112.947 -172.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.607 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 12.6 t70 -56.21 -31.61 63.64 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.808 0.299 . . . . 75.519999999999996 111.808 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 58' ' ' GLU . 30.6 mt-10 63.22 -65.35 0.1 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.143 0.977 . . . . 73.140000000000001 113.387 -177.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.7 t -57.47 -50.01 74.42 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.824 1.046 . . . . 70.120000000000005 113.824 -163.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.56 ' HG2' ' OD2' ' A' ' 59' ' ' ASP . 8.1 pt-20 -84.92 1.46 47.18 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.426 -0.51 . . . . 72.219999999999999 111.215 -175.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.631 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 38.3 m-85 -104.62 -29.77 10.41 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.193 -0.458 . . . . 74.109999999999999 111.046 -179.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.55 162.22 13.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.081 -0.58 . . . . 71.099999999999994 112.908 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.8 p -76.66 115.73 16.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.289 0.566 . . . . 73.120000000000005 109.886 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -88.6 -22.78 23.32 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.683 -0.69 . . . . 65.209999999999994 111.261 -174.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.424 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -167.41 149.64 15.19 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.498 -0.641 . . . . 61.299999999999997 111.498 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 12.6 p -150.96 127.59 10.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.834 0.35 . . . . 71.209999999999994 110.632 -179.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.447 HD11 ' CD1' ' A' ' 95' ' ' TRP . 15.1 pt -118.4 148.87 20.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.242 -0.435 . . . . 75.140000000000001 110.908 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.9 m -91.63 117.55 29.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.545 -0.752 . . . . 75.25 110.502 -178.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.728 ' HB3' HG22 ' A' ' 112' ' ' ILE . 4.1 mm? -80.34 68.53 6.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.261 0.553 . . . . 75.310000000000002 111.262 -178.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 m -126.08 -62.89 1.14 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.814 -0.63 . . . . 72.25 109.823 176.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 18.46 22.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.098 0.475 . . . . 72.209999999999994 110.323 175.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.5 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -76.79 113.71 14.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.641 -0.709 . . . . 71.450000000000003 109.287 174.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.1 t -76.83 118.89 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.183 -0.462 . . . . 74.420000000000002 111.48 -172.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.572 HG21 ' HD2' ' A' ' 86' ' ' PHE . 59.4 mt -84.63 108.37 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.733 -0.667 . . . . 63.219999999999999 110.022 177.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.9 m -116.06 105.73 50.59 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 116.416 -0.357 . . . . 74.230000000000004 110.295 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.49 140.36 94.35 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.235 1.956 . . . . 63.5 111.218 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.561 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 9.8 t60 -76.91 153.83 34.29 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.637 -0.425 . . . . 74.230000000000004 110.155 -174.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -80.69 -45.04 17.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.177 -0.465 . . . . 73.0 111.728 -174.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -85.55 -30.58 23.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.821 0.343 . . . . 73.120000000000005 111.243 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.755 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . 12.6 m-20 -95.61 114.55 26.32 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.153 -0.314 . . . . 71.129999999999995 110.153 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -79.59 -25.81 41.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.958 0.409 . . . . 72.030000000000001 110.396 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 37.1 m -91.11 -13.84 32.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.876 -0.602 . . . . 64.439999999999998 110.772 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.755 ' HB3' ' CB ' ' A' ' 82' ' ' ASP . 23.9 ttm180 -98.69 146.52 25.79 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.025 0.917 . . . . 75.0 112.123 -173.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.631 ' CE2' HD13 ' A' ' 88' ' ' ILE . 0.4 OUTLIER -131.39 139.97 49.57 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 113.933 -1.485 . . . . 65.430000000000007 109.099 176.354 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -102.84 126.75 50.11 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.545 -0.752 . . . . 73.510000000000005 109.783 -177.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.817 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 32.2 mm -103.12 109.93 28.26 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 CA-C-N 115.861 -0.609 . . . . 73.109999999999999 110.216 179.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.9 p -113.23 105.37 13.35 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.622 0.725 . . . . 71.319999999999993 110.798 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.5 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 6.3 p -136.65 120.59 23.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.501 -0.772 . . . . 73.219999999999999 110.461 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.405 ' N ' HD21 ' A' ' 91' ' ' ASN . 0.9 OUTLIER 63.2 22.28 13.28 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 111.6 0.222 . . . . 72.230000000000004 111.6 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.7 t70 75.35 6.57 4.09 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 123.305 0.642 . . . . 72.409999999999997 111.012 -174.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.0 m -84.95 110.96 19.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.41 -0.959 . . . . 62.210000000000001 108.41 169.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.8 t -104.77 126.26 59.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.243 -0.435 . . . . 74.239999999999995 111.184 -172.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.817 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 37.1 m95 -120.3 109.67 15.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.076 -0.511 . . . . 65.109999999999999 111.191 -178.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.41 ' CD1' ' HE3' ' A' ' 32' ' ' LYS . 12.0 m-85 -90.83 84.16 5.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.168 -0.469 . . . . 75.310000000000002 110.229 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.731 HD11 HG21 ' A' ' 45' ' ' VAL . 2.7 mm? -103.55 157.32 17.13 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.457 -0.497 . . . . 63.219999999999999 109.912 -176.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.653 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 12.9 ttm180 -142.97 144.0 32.17 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.527 -0.469 . . . . 63.43 110.825 -174.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.85 174.11 8.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.847 -0.615 . . . . 63.149999999999999 110.339 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.076 -0.511 . . . . 64.0 110.4 -178.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 . . . . . 0 C--O 1.235 0.302 0 CA-C-O 121.63 0.728 . . . . 65.329999999999998 109.585 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -54.92 -19.37 6.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.755 -1.111 . . . . 75.329999999999998 112.325 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -54.29 -41.64 69.15 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.024 0.44 . . . . 60.43 109.926 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 17.0 m95 -73.07 -43.58 61.71 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.468 -0.787 . . . . 73.230000000000004 109.92 -175.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.7 mm -60.73 -56.71 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 114.773 -1.103 . . . . 73.349999999999994 109.776 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -57.12 -46.96 82.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.77 -0.65 . . . . 74.010000000000005 111.112 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.06 -64.58 0.78 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.269 -0.423 . . . . 71.219999999999999 110.716 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.735 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 29.2 mt -62.24 -49.02 85.71 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 CA-C-N 116.586 -0.279 . . . . 65.109999999999999 110.82 -175.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.597 ' HA ' ' HE2' ' A' ' 116' ' ' LYS . 22.6 mm-40 -55.12 -34.24 63.54 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.298 0.481 . . . . 72.319999999999993 112.298 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -89.33 -15.3 33.74 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.858 0.361 . . . . 73.420000000000002 111.185 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.563 ' HB3' ' HA ' ' A' ' 50' ' ' ASN . 11.5 m-70 -90.73 -35.57 14.81 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.833 0.679 . . . . 73.109999999999999 112.833 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.735 ' HG3' ' O ' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -88.55 159.92 17.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.503 0.668 . . . . 75.510000000000005 111.984 -174.604 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.245 0.828 0 CA-C-N 115.001 -1.0 . . . . 63.210000000000001 110.149 -173.908 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.432 ' CD ' ' HE2' ' A' ' 115' ' ' HIS . 1.9 mp0 . . . . . 0 CA--C 1.518 -0.283 0 CA-C-O 121.063 0.459 . . . . 74.5 110.491 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.59 118.4 36.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.95 -0.568 . . . . 65.340000000000003 110.449 -175.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.4 p -138.67 119.63 14.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.059 -0.519 . . . . 54.219999999999999 109.75 175.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -173.56 171.24 44.34 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 119.785 -1.198 . . . . 73.109999999999999 112.886 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.595 HG11 ' HE3' ' A' ' 44' ' ' TRP . 0.9 OUTLIER -89.61 134.72 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.664 0.745 . . . . 74.450000000000003 111.8 -179.452 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.1 tp -110.57 107.36 16.94 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.889 -1.05 . . . . 74.519999999999996 108.739 174.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.3 m -78.85 100.95 7.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.912 -0.585 . . . . 75.519999999999996 109.739 178.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 44.3 tptt . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 116.026 -0.534 . . . . 75.239999999999995 109.79 -176.92 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 . . . . . 0 CA--C 1.512 -0.507 0 N-CA-C 109.816 -0.438 . . . . 65.150000000000006 109.816 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.413 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 13.8 p-10 -96.75 106.19 18.44 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.684 0.754 . . . . 63.020000000000003 109.51 176.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.413 ' HD2' ' CD2' ' A' ' 54' ' ' TYR . 38.2 ptt180 -102.51 148.92 24.94 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.414 -0.812 . . . . 71.340000000000003 109.753 -177.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.595 ' HE3' HG11 ' A' ' 29' ' ' VAL . 65.8 t-105 -93.15 110.59 22.09 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 120.09 -0.644 . . . . 73.239999999999995 110.369 -172.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.9 m -103.19 141.49 18.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 121.285 0.564 . . . . 51.149999999999999 110.421 -176.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.524 ' O ' HD13 ' A' ' 52' ' ' LEU . 10.7 t -138.65 132.54 40.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.049 -0.978 . . . . 72.109999999999999 110.978 -173.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.2 tt -123.02 124.75 43.84 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.465 -0.568 . . . . 74.230000000000004 109.465 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -168.61 142.66 3.16 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.412 0.445 . . . . 62.409999999999997 110.414 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 59.69 27.51 16.78 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.835 0.454 . . . . 74.319999999999993 112.052 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.805 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 10.5 t-20 72.01 13.57 5.9 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.753 0.787 . . . . 74.209999999999994 110.319 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.67 127.27 56.07 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.506 -0.77 . . . . 62.539999999999999 109.392 174.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.663 HD21 HD12 ' A' ' 69' ' ' ILE . 46.4 tp -106.91 132.75 52.51 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.66 -0.867 . . . . 73.450000000000003 108.66 176.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.4 m -142.64 162.91 34.25 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 116.309 -0.405 . . . . 75.530000000000001 110.067 -174.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 95' ' ' TRP . 3.1 p90 -145.41 156.2 43.62 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.447 -0.501 . . . . 74.319999999999993 110.058 175.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -126.36 169.62 12.76 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.839 -0.8 . . . . 75.239999999999995 108.839 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.412 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 2.9 mmmp? -56.8 -49.06 76.49 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 123.16 0.287 . . . . 70.319999999999993 111.734 -178.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.541 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 22.9 t -152.77 -169.04 3.22 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.768 -0.456 . . . . 74.319999999999993 109.768 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 35.9 tt0 -59.8 -33.32 71.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.306 0.642 . . . . 63.350000000000001 112.416 -172.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -81.73 46.86 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.47 0.652 . . . . 64.099999999999994 110.519 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -37.76 -35.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 114.48 1.289 . . . . 72.349999999999994 114.48 179.37 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.0 t -56.54 -36.36 69.15 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.37 0.507 . . . . 74.209999999999994 112.37 -177.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -95.53 -9.5 32.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.336 . . . . 74.150000000000006 111.06 -178.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 30.4 m-85 -94.75 -40.18 9.9 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.189 0.44 . . . . 64.109999999999999 112.189 -174.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.4 156.59 22.48 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.355 -0.926 . . . . 63.539999999999999 111.858 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.1 p -67.03 111.71 3.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.334 0.588 . . . . 75.200000000000003 111.383 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.529 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 9.9 mmm180 -71.28 -53.45 14.23 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.158 -0.928 . . . . 73.510000000000005 110.845 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -136.41 138.61 9.99 Favored Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 114.579 -1.191 . . . . 71.140000000000001 111.417 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 m -133.35 119.53 19.83 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.254 -0.276 . . . . 74.400000000000006 110.254 -177.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.663 HD12 HD21 ' A' ' 52' ' ' LEU . 15.9 pt -121.59 143.67 33.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.073 0.464 . . . . 64.109999999999999 110.727 177.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 65.0 m -96.83 129.58 44.24 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.776 -0.647 . . . . 74.150000000000006 110.035 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 1.062 HD12 HG12 ' A' ' 112' ' ' ILE . 86.0 mt -80.89 24.22 0.51 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.571 -0.741 . . . . 64.129999999999995 111.393 -175.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.7 m -80.21 -33.39 38.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.044 -0.525 . . . . 64.120000000000005 111.062 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.65 12.68 3.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 73.510000000000005 110.962 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.655 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -69.76 126.61 30.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.465 . . . . 72.510000000000005 110.252 177.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.3 t -86.59 111.97 22.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.135 0.493 . . . . 70.310000000000002 110.94 -175.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.1 mt -74.02 102.64 2.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.614 -0.721 . . . . 64.430000000000007 109.562 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.506 ' HB ' ' HB2' ' A' ' 87' ' ' ASP . 12.5 m -96.01 109.57 47.45 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.192 -0.458 . . . . 75.099999999999994 111.025 -177.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.85 116.28 4.38 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.407 2.071 . . . . 64.310000000000002 111.586 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -78.15 139.39 38.99 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.671 -0.492 . . . . 65.549999999999997 109.671 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -89.35 -44.09 10.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.867 0.365 . . . . 74.299999999999997 111.069 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -73.73 -12.42 60.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.106 -0.497 . . . . 74.349999999999994 110.823 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.623 ' HB2' ' HB3' ' A' ' 85' ' ' ARG . 31.7 m-20 -129.03 107.19 9.4 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.273 -0.64 . . . . 74.030000000000001 109.273 177.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.55 -20.76 59.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.912 0.387 . . . . 72.140000000000001 111.41 -173.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 19.7 m -98.16 1.27 47.28 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.466 -0.334 . . . . 71.129999999999995 110.869 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.623 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 67.4 ttt180 -108.59 148.47 30.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.022 0.915 . . . . 72.349999999999994 113.23 -167.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -139.32 126.86 21.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.711 -1.586 . . . . 72.120000000000005 109.756 175.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.506 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 18.9 m-20 -95.53 108.15 20.37 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.868 -0.419 . . . . 73.519999999999996 109.868 177.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.619 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 34.9 mm -83.93 96.65 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.032 -0.359 . . . . 71.200000000000003 110.032 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.46 ' HA ' ' HA ' ' A' ' 94' ' ' VAL . 5.9 p -103.37 112.59 25.54 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.315 0.579 . . . . 54.219999999999999 111.803 -175.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.655 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 7.7 p -141.93 128.27 19.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.636 -0.711 . . . . 65.010000000000005 110.074 177.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.49 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 0.9 OUTLIER 60.31 33.01 20.89 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 111.587 0.217 . . . . 62.439999999999998 111.587 176.809 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.49 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 26.4 t70 76.06 -8.95 1.53 Allowed 'General case' 0 C--N 1.319 -0.751 0 O-C-N 123.896 0.748 . . . . 74.439999999999998 111.824 -177.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.0 m -85.25 101.93 12.92 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.479 -0.563 . . . . 74.0 109.479 175.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 89' ' ' SER . 4.2 p -99.69 122.74 51.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.469 0.652 . . . . 73.540000000000006 110.734 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.619 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 22.2 m95 -106.03 105.53 15.6 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.769 -0.65 . . . . 72.140000000000001 110.245 -176.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.19 89.73 4.28 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.83 -0.623 . . . . 60.420000000000002 110.11 -179.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.6 mt -100.55 149.85 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.854 0.359 . . . . 64.120000000000005 110.461 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.617 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 14.5 ttm-85 -137.27 147.47 45.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.907 -0.405 . . . . 74.430000000000007 109.907 177.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.73 161.72 30.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.136 0.493 . . . . 72.120000000000005 111.118 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.632 ' H ' ' NE2' ' A' ' 100' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.566 -0.743 . . . . 74.340000000000003 111.512 -176.348 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.6 ' HD3' ' H ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.776 0.798 . . . . 75.129999999999995 109.126 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.444 ' HA ' HG12 ' A' ' 109' ' ' ILE . 14.1 pt20 -60.5 -6.25 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.131 -0.94 . . . . 70.409999999999997 111.545 174.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -50.78 -44.33 58.74 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.031 0.443 . . . . 71.409999999999997 109.873 170.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.409 ' O ' HG13 ' A' ' 112' ' ' ILE . 14.0 m95 -70.63 -41.78 71.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.693 -0.685 . . . . 75.120000000000005 109.408 -177.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.444 HG12 ' HA ' ' A' ' 106' ' ' GLN . 25.4 mm -60.02 -54.77 30.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.619 -0.718 . . . . 74.530000000000001 110.313 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 114' ' ' GLN . 21.0 t70 -58.36 -49.07 78.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.548 -0.751 . . . . 73.319999999999993 111.019 -178.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.49 -54.44 40.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.268 0.556 . . . . 70.439999999999998 111.014 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 1.062 HG12 HD12 ' A' ' 71' ' ' LEU . 66.0 mt -66.99 -49.15 76.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.074 -0.512 . . . . 75.25 111.49 -175.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.468 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 46.5 mm-40 -62.31 -34.1 75.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.723 0.297 . . . . 74.329999999999998 111.595 -178.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 2.9 mp0 -81.64 -21.45 38.21 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.924 -0.31 . . . . 71.25 111.058 178.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.805 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 25.0 m-70 -98.08 -0.62 44.15 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.771 0.656 . . . . 72.409999999999997 112.771 177.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.961 ' HE2' ' HA ' ' A' ' 116' ' ' LYS . 7.5 mmpt? -35.49 126.84 0.63 Allowed 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.528 0.936 . . . . 74.319999999999993 113.528 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.247 0.97 0 CA-C-N 114.25 -1.341 . . . . 71.219999999999999 109.096 -178.718 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 121.319 0.581 . . . . 71.019999999999996 111.095 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.886 ' HB3' ' HB2' ' A' ' 48' ' ' LYS . 1.7 pm0 -79.94 141.36 36.11 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 114.763 -1.108 . . . . 73.540000000000006 111.626 175.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 3.7 tpm_? -92.73 109.21 20.63 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.69 -1.226 . . . . 65.450000000000003 107.69 165.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.582 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 4.8 p -117.45 113.28 21.82 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.965 -0.561 . . . . 65.439999999999998 109.863 -177.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -161.92 170.66 37.65 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.091 -1.052 . . . . 63.240000000000002 112.478 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.804 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 1.3 m -95.57 133.25 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.545 0.688 . . . . 72.200000000000003 111.49 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.475 HD21 ' HE ' ' A' ' 43' ' ' ARG . 54.5 tp -112.83 115.3 28.26 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.826 -1.079 . . . . 70.140000000000001 109.706 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.1 m -74.65 102.71 4.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.903 0.382 . . . . 74.219999999999999 110.689 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.459 ' HE3' ' CZ3' ' A' ' 33' ' ' TRP . 40.4 tptt -159.53 163.29 35.32 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.005 -0.739 . . . . 71.109999999999999 109.005 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.671 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 9.2 p90 -71.89 145.46 48.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.149 0.5 . . . . 74.530000000000001 110.714 -176.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.2 p -102.62 -63.8 1.13 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.634 -0.712 . . . . 70.530000000000001 110.444 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -115.96 -56.21 2.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.025 -0.534 . . . . 71.319999999999993 110.477 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.652 ' HB2' ' HA3' ' A' ' 39' ' ' GLY . 11.5 m-85 -70.98 137.34 49.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.8 -0.636 . . . . 65.019999999999996 109.424 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.1 tt -62.18 -35.34 68.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.949 0.405 . . . . 74.200000000000003 110.949 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -101.55 11.98 38.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.055 0.455 . . . . 75.430000000000007 110.358 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.652 ' HA3' ' HB2' ' A' ' 36' ' ' TYR . . . -98.03 48.99 1.41 Allowed Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.889 -0.672 . . . . 73.129999999999995 111.614 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.671 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 16.8 p-90 -69.28 126.97 31.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.097 0.475 . . . . 74.400000000000006 110.54 178.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -138.0 175.9 9.18 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.754 -0.657 . . . . 43.030000000000001 109.456 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.804 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 8.9 p-10 -89.05 108.28 19.5 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.518 0.675 . . . . 74.239999999999995 110.243 177.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.475 ' HE ' HD21 ' A' ' 30' ' ' LEU . 37.7 ptt180 -100.59 145.03 28.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.642 -0.708 . . . . 72.349999999999994 109.652 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.585 ' HE3' HG13 ' A' ' 29' ' ' VAL . 73.5 t-105 -92.25 120.24 32.62 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 120.512 -0.475 . . . . 73.150000000000006 110.793 -172.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.534 HG11 ' HB2' ' A' ' 54' ' ' TYR . 20.0 m -115.33 142.58 27.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 120.942 0.401 . . . . 74.530000000000001 110.848 -178.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.498 ' O ' HD13 ' A' ' 52' ' ' LEU . 79.3 t -133.62 120.67 38.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.196 -0.911 . . . . 74.0 110.54 -178.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.759 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 3.4 tm? -111.88 102.32 10.58 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.687 -0.486 . . . . 72.340000000000003 109.687 178.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.886 ' HB2' ' HB3' ' A' ' 25' ' ' GLU . 14.8 tptm -161.55 162.05 30.07 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.404 -0.221 . . . . 72.230000000000004 110.404 -173.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.582 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 14.8 m120 71.9 -68.2 0.23 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.88 0.872 . . . . 72.310000000000002 109.192 -174.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 2.8 t-20 174.35 22.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.58 -1.267 . . . . 74.430000000000007 107.58 168.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.24 152.9 49.17 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 114.862 -1.063 . . . . 75.409999999999997 109.925 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.581 ' HB2' HD23 ' A' ' 47' ' ' LEU . 63.0 tp -111.48 127.57 55.74 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.429 -0.805 . . . . 75.230000000000004 108.889 174.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.9 m -128.67 142.36 51.05 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 109.552 -0.536 . . . . 75.219999999999999 109.552 -175.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.638 ' HB3' ' HZ3' ' A' ' 95' ' ' TRP . 0.3 OUTLIER -132.96 146.65 51.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.581 0.705 . . . . 73.019999999999996 111.313 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -122.74 165.58 16.33 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.458 -1.246 . . . . 74.340000000000003 108.504 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -53.26 -46.04 69.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.938 0.347 . . . . 72.239999999999995 111.938 -176.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.9 p -153.7 -172.51 4.25 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.934 -0.395 . . . . 74.299999999999997 109.934 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.79 -14.43 45.06 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.567 0.542 . . . . 74.450000000000003 112.375 -172.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.548 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 6.5 t0 -75.04 -8.67 57.2 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 110.309 -0.256 . . . . 74.209999999999994 110.309 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.744 ' HG3' ' H ' ' A' ' 61' ' ' THR . 5.0 pt-20 26.12 -73.49 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 116.84 2.163 . . . . 72.099999999999994 116.84 172.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.744 ' H ' ' HG3' ' A' ' 60' ' ' GLU . 14.5 t -49.93 -41.21 45.69 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.585 0.958 . . . . 74.109999999999999 113.585 -167.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -81.74 -13.52 57.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.059 0.457 . . . . 63.509999999999998 111.054 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 59' ' ' ASP . 55.6 m-85 -87.46 -16.88 33.53 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.525 -0.546 . . . . 55.399999999999999 109.525 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.53 -84.05 1.6 Allowed Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.475 -0.784 . . . . 64.049999999999997 112.473 173.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.0 p -171.75 129.92 0.66 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.572 -0.529 . . . . 73.319999999999993 109.572 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.494 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 7.0 mmm180 -104.06 -34.55 8.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.096 0.474 . . . . 73.109999999999999 111.051 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -162.12 153.34 23.98 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.153 -0.779 . . . . 51.25 111.153 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.489 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 23.7 p -161.15 124.25 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.547 0.213 . . . . 71.019999999999996 110.564 -176.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.492 ' HB ' HG12 ' A' ' 90' ' ' VAL . 36.2 pt -121.14 156.32 24.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.37 -0.377 . . . . 72.109999999999999 111.152 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 52.3 m -97.72 121.62 39.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.76 -0.655 . . . . 74.239999999999995 110.451 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.728 HD11 ' HB1' ' A' ' 74' ' ' ALA . 4.4 mm? -84.16 56.41 3.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.094 0.473 . . . . 74.310000000000002 111.261 -176.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.9 m -109.65 -42.56 4.26 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.951 -0.568 . . . . 71.310000000000002 110.113 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.64 9.64 8.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.463 . . . . 73.400000000000006 110.741 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.728 ' HB1' HD11 ' A' ' 71' ' ' LEU . . . -73.1 109.21 6.46 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.613 -0.514 . . . . 74.450000000000003 109.613 175.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.9 t -80.4 126.52 39.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.089 -0.505 . . . . 61.240000000000002 111.065 -173.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.726 HD13 HD12 ' A' ' 112' ' ' ILE . 55.4 mt -77.75 96.63 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.058 -0.719 . . . . 74.040000000000006 109.058 174.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.7 m -96.77 115.8 65.83 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 116.11 -0.495 . . . . 61.340000000000003 111.063 -174.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.449 ' HA ' ' HD1' ' A' ' 86' ' ' PHE . 31.2 Cg_exo -60.26 126.02 19.02 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.473 2.116 . . . . 72.319999999999993 111.503 175.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -64.82 161.89 17.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.353 -0.385 . . . . 75.5 110.669 -176.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.44 -75.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.279 0.561 . . . . 74.340000000000003 111.488 -174.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -76.94 -16.4 59.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.528 -0.76 . . . . 75.310000000000002 111.772 -173.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.612 ' HB3' ' HB3' ' A' ' 85' ' ' ARG . 5.4 t70 -100.17 146.5 26.78 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.796 -0.362 . . . . 75.019999999999996 110.469 -175.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -97.06 -22.73 16.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.152 -0.476 . . . . 72.030000000000001 110.97 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 65.5 m -119.0 -1.01 11.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.568 -0.287 . . . . 75.109999999999999 111.556 -174.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.613 ' HG3' ' O ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -91.71 138.95 31.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.984 0.421 . . . . 65.200000000000003 110.501 176.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.449 ' HD1' ' HA ' ' A' ' 78' ' ' PRO . 80.4 m-85 -138.02 121.63 17.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.493 -0.776 . . . . 74.239999999999995 110.4 -174.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.73 112.78 24.84 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.054 -0.975 . . . . 64.319999999999993 109.823 -175.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.657 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 23.4 mm -83.83 108.27 16.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.588 -0.523 . . . . 74.010000000000005 109.588 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.9 p -112.0 120.89 43.42 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 112.766 0.654 . . . . 74.129999999999995 112.766 -173.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.551 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 14.7 p -153.19 134.45 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.309 -0.86 . . . . 72.549999999999997 109.007 173.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 61.45 23.04 13.36 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.967 0.413 . . . . 63.329999999999998 111.009 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.8 t70 70.09 4.41 4.82 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.075 -0.966 . . . . 71.349999999999994 111.32 -173.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.8 m -78.59 100.12 6.83 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.92 -0.77 . . . . 63.32 108.92 172.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.5 t -93.9 115.2 32.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.864 -0.607 . . . . 74.129999999999995 110.706 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.657 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 23.8 m95 -101.42 100.26 10.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.749 -0.66 . . . . 75.430000000000007 109.813 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -71.84 86.36 0.97 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.222 -0.445 . . . . 72.430000000000007 110.492 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.613 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 3.8 mm? -94.67 169.22 10.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.285 -0.635 . . . . 73.329999999999998 109.285 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.602 ' HG3' ' CA ' ' A' ' 85' ' ' ARG . 44.2 ttt-85 -156.98 149.81 23.63 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.706 -0.479 . . . . 63.299999999999997 109.706 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.413 ' HB2' ' HB2' ' A' ' 103' ' ' ASP . . . -60.42 124.1 19.32 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.832 -0.803 . . . . 51.420000000000002 108.832 171.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.487 ' H ' ' NE2' ' A' ' 100' ' ' GLN . 2.3 mp0 -49.05 -51.73 29.55 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.791 0.682 . . . . 73.209999999999994 111.597 -173.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.609 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 36.3 t70 -177.59 -54.76 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.411 0 CA-C-N 116.281 -0.418 . . . . 72.150000000000006 110.859 172.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 95.3 Cg_endo -83.99 1.75 8.62 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.044 1.83 . . . . 54.340000000000003 111.746 176.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.707 ' HB3' ' HG3' ' A' ' 107' ' ' GLN . 5.6 m-20 -92.19 174.83 7.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.237 -0.892 . . . . 73.239999999999995 111.153 -175.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -142.65 -170.38 3.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.31 -0.859 . . . . 72.400000000000006 109.215 174.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 58.0 ttp180 -65.37 -29.75 70.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.138 0.494 . . . . 74.530000000000001 110.469 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -63.84 -16.69 61.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.416 -0.811 . . . . 63.340000000000003 111.93 -173.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.707 ' HG3' ' HB3' ' A' ' 103' ' ' ASP . 9.0 mm100 -60.96 -46.27 91.37 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 108.792 -0.818 . . . . 73.540000000000006 108.792 174.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 16.8 m95 -76.0 -41.77 50.12 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 114.967 -1.015 . . . . 73.549999999999997 109.299 -175.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 105' ' ' ARG . 34.1 mm -59.14 -58.5 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 115.116 -0.947 . . . . 73.239999999999995 109.957 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.24 -45.4 91.26 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.191 -0.459 . . . . 74.010000000000005 111.027 -178.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.0 -62.26 1.87 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.82 0.343 . . . . 71.549999999999997 110.967 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.726 HD12 HD13 ' A' ' 76' ' ' ILE . 46.8 mt -61.8 -43.25 97.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 CA-C-N 116.611 -0.268 . . . . 74.109999999999999 110.751 -176.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.74 -37.24 75.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.726 0.298 . . . . 75.319999999999993 111.802 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -85.94 -11.61 52.65 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.831 0.348 . . . . 74.200000000000003 111.214 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.49 ' HB3' ' O ' ' A' ' 49' ' ' ASN . 42.4 m-70 -95.5 -35.66 11.6 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.512 0.56 . . . . 74.530000000000001 112.512 176.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 168.83 18.75 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.267 0.556 . . . . 73.319999999999993 112.334 -168.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.232 -0.895 . . . . 74.140000000000001 109.684 176.078 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 109.987 -0.375 . . . . 73.310000000000002 109.987 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.618 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 2.8 pm0 -55.82 132.77 50.29 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.734 0.778 . . . . 71.129999999999995 111.691 -179.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.664 ' HG2' ' CH2' ' A' ' 108' ' ' TRP . 5.9 tpm_? -121.69 116.51 24.68 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.582 -1.19 . . . . 70.230000000000004 109.621 175.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.478 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 5.1 p -117.82 114.76 23.75 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 108.89 -0.781 . . . . 74.319999999999993 108.89 175.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.72 166.16 38.86 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.217 -0.992 . . . . 62.409999999999997 112.306 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.467 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 2.5 m -90.72 131.43 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.756 0.789 . . . . 73.5 111.974 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.75 HD12 HD11 ' A' ' 97' ' ' LEU . 48.8 tp -97.81 116.59 30.34 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.619 -1.173 . . . . 75.420000000000002 109.536 176.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.51 ' HB2' ' HE3' ' A' ' 40' ' ' TRP . 9.2 p -83.46 107.02 15.67 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.919 -0.582 . . . . 65.420000000000002 109.874 176.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -133.09 140.8 47.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.162 -0.472 . . . . 73.420000000000002 110.564 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 11.5 m-90 -56.42 123.64 15.4 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.072 -0.513 . . . . 73.420000000000002 110.171 176.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.14 -79.95 0.18 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.32 -0.4 . . . . 75.519999999999996 110.67 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -129.89 -33.93 1.75 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.949 0.404 . . . . 73.329999999999998 110.525 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.45 ' HB3' ' HA3' ' A' ' 39' ' ' GLY . 35.1 t80 -81.96 151.85 27.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.894 -0.594 . . . . 75.310000000000002 110.089 -178.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.5 tp -50.15 -51.08 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 112.574 0.583 . . . . 72.109999999999999 112.574 -174.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -113.26 30.33 7.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.703 0.763 . . . . 75.200000000000003 109.239 175.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.45 ' HA3' ' HB3' ' A' ' 36' ' ' TYR . . . -82.92 67.56 3.72 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.281 -0.872 . . . . 75.030000000000001 111.898 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.51 ' HE3' ' HB2' ' A' ' 31' ' ' SER . 46.5 m95 -67.14 118.7 10.93 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.184 -0.302 . . . . 73.209999999999994 110.184 177.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.488 ' O ' ' HA ' ' A' ' 31' ' ' SER . 2.0 pt20 -101.07 166.24 10.9 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.008 -0.738 . . . . 60.329999999999998 109.008 169.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.467 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 8.0 p-10 -120.78 116.02 24.42 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.666 0.746 . . . . 73.129999999999995 109.878 177.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.565 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 4.3 ptp180 -109.51 139.61 44.3 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.897 -1.047 . . . . 70.230000000000004 109.658 -178.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.478 ' CZ2' ' HB2' ' A' ' 27' ' ' CYS . 71.7 t-105 -85.25 115.73 23.19 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.478 -0.489 . . . . 73.310000000000002 109.982 -174.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.614 HG23 ' HB2' ' A' ' 54' ' ' TYR . 96.6 t -114.64 131.5 66.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 120.959 0.409 . . . . 71.239999999999995 111.117 -173.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.545 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 49.2 t -122.45 125.86 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.271 -0.877 . . . . 74.150000000000006 110.715 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.672 HD21 HD12 ' A' ' 52' ' ' LEU . 3.2 tm? -125.42 110.81 14.38 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.374 -0.376 . . . . 74.219999999999999 110.32 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.618 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 14.5 tptm 177.26 163.06 0.51 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.919 -0.771 . . . . 72.209999999999994 108.919 -176.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.531 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 14.3 m120 69.65 14.21 8.19 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.699 0.4 . . . . 71.120000000000005 110.161 -176.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.812 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 3.0 t-20 70.79 5.58 5.5 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.484 -0.78 . . . . 72.109999999999999 109.668 -173.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.09 150.55 27.65 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.26 -0.882 . . . . 65.329999999999998 110.154 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.672 HD12 HD21 ' A' ' 47' ' ' LEU . 43.5 tp -122.7 127.86 49.81 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.598 -0.728 . . . . 64.329999999999998 109.308 176.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.571 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 10.1 p -141.96 124.79 16.06 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.596 -0.729 . . . . 73.420000000000002 110.39 -173.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.614 ' HB2' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -125.65 152.34 45.33 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.287 0.565 . . . . 64.519999999999996 110.645 178.482 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -128.2 160.26 32.64 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.275 -1.009 . . . . 74.329999999999998 108.275 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.553 ' HG2' ' HG3' ' A' ' 66' ' ' ARG . 13.2 mmmm -54.63 -42.69 71.53 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.347 0.499 . . . . 70.129999999999995 112.347 -176.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.524 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 15.9 m -144.96 177.47 8.73 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.296 -0.261 . . . . 72.340000000000003 110.296 -177.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.86 -24.54 66.98 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.417 0.448 . . . . 71.299999999999997 111.794 -176.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.609 ' OD1' ' HG2' ' A' ' 62' ' ' GLU . 5.2 t70 -51.34 -40.15 58.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.414 -0.357 . . . . 73.409999999999997 110.814 177.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 49.76 -46.94 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.351 1.861 . . . . 73.120000000000005 115.905 -176.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.8 t -58.86 -50.52 73.7 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.386 0.884 . . . . 72.120000000000005 113.386 -170.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.609 ' HG2' ' OD1' ' A' ' 59' ' ' ASP . 15.4 pt-20 -86.23 -15.91 39.36 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.424 -0.51 . . . . 71.340000000000003 111.03 -176.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.524 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 49.1 m-85 -82.07 -35.84 28.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.24 -0.437 . . . . 73.530000000000001 110.803 -179.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.08 170.89 39.71 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.506 -0.854 . . . . 74.450000000000003 112.239 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.1 p -72.59 104.55 3.91 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.516 0.674 . . . . 71.510000000000005 111.032 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.553 ' HG3' ' HG2' ' A' ' 56' ' ' LYS . 10.4 mmt180 -85.4 -21.88 28.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.27 -0.877 . . . . 61.32 110.184 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.571 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -149.29 112.91 0.58 Allowed Glycine 0 N--CA 1.439 -1.11 0 N-CA-C 110.597 -1.001 . . . . 72.450000000000003 110.597 175.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.8 p -129.22 110.62 12.13 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.185 0.517 . . . . 71.519999999999996 110.342 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.628 HD13 HD21 ' A' ' 52' ' ' LEU . 45.8 pt -129.15 176.61 7.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.713 -0.676 . . . . 64.299999999999997 110.62 -178.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.463 ' SG ' ' HD3' ' A' ' 73' ' ' LYS . 12.0 p -122.82 138.99 54.49 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.045 -0.525 . . . . 71.310000000000002 110.879 -178.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.645 ' HG ' HG12 ' A' ' 112' ' ' ILE . 4.0 mm? -90.79 14.76 12.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.859 -0.609 . . . . 73.439999999999998 110.098 177.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.9 t -66.13 -49.11 68.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.249 -0.887 . . . . 62.200000000000003 110.96 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.542 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -125.49 19.72 8.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.677 -0.692 . . . . 73.109999999999999 109.892 -176.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.63 150.39 43.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.305 -0.861 . . . . 60.229999999999997 111.608 -176.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.76 ' HB ' ' HG ' ' A' ' 89' ' ' SER . 47.4 t -104.83 109.6 28.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.948 -0.569 . . . . 74.400000000000006 110.105 176.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.424 HD13 HD11 ' A' ' 112' ' ' ILE . 60.0 mt -83.33 120.68 35.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.971 -0.559 . . . . 72.329999999999998 110.494 179.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.918 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 24.1 m -110.37 101.87 49.68 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 116.087 -0.506 . . . . 75.329999999999998 111.074 178.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.6 130.6 26.94 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.017 1.812 . . . . 70.329999999999998 111.151 175.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -68.97 150.68 47.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.188 0.518 . . . . 75.109999999999999 110.373 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.34 -58.15 3.4 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.416 -0.811 . . . . 75.349999999999994 111.49 -175.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -77.42 -9.13 58.69 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.492 0.553 . . . . 74.010000000000005 112.492 -176.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -128.74 142.04 51.13 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.432 -0.507 . . . . 73.420000000000002 111.142 -175.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -103.86 7.67 36.93 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.701 -0.682 . . . . 74.340000000000003 110.709 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 104' ' ' HIS . 73.8 m -120.83 -26.49 5.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.454 -0.339 . . . . 74.239999999999995 111.313 177.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.53 ' CA ' ' HG3' ' A' ' 98' ' ' ARG . 63.6 ttt-85 -80.16 147.58 31.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.06 0.457 . . . . 73.329999999999998 111.525 -178.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -149.92 139.91 21.98 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.591 -0.731 . . . . 74.439999999999998 110.426 177.789 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.918 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 7.3 t70 -99.18 135.25 40.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.908 -1.042 . . . . 73.430000000000007 109.405 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.814 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 3.8 mp -114.85 96.64 4.79 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-N 116.209 -0.451 . . . . 74.140000000000001 109.882 -176.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.76 ' HG ' ' HB ' ' A' ' 75' ' ' VAL . 63.3 p -101.76 102.95 13.66 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 120.381 -0.527 . . . . 74.200000000000003 110.703 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.9 m -101.33 -172.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.889 -0.596 . . . . 72.530000000000001 109.782 176.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -36.5 -61.43 0.52 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 124.248 0.968 . . . . 74.530000000000001 112.814 -175.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -129.18 10.61 5.84 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.065 0.395 . . . . 74.219999999999999 112.065 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 t -136.54 129.42 30.9 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.567 -0.453 . . . . 75.329999999999998 111.222 -173.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.9 t -109.4 127.74 65.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.118 -0.492 . . . . 72.209999999999994 110.134 174.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.814 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 12.9 m95 -112.94 147.53 36.9 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.89 -0.595 . . . . 75.450000000000003 110.148 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -124.63 92.72 3.71 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.122 -0.695 . . . . 72.430000000000007 109.122 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.75 HD11 HD12 ' A' ' 30' ' ' LEU . 36.4 tp -119.57 171.43 8.37 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.811 -0.355 . . . . 61.140000000000001 110.259 -173.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.53 ' HG3' ' CA ' ' A' ' 85' ' ' ARG . 20.6 ttt180 -153.75 151.48 29.65 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.46 -0.571 . . . . 71.439999999999998 109.46 -177.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.7 144.68 47.6 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.998 -0.371 . . . . 72.25 109.998 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.54 ' H ' ' NE2' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -127.9 0.14 5.98 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.729 -0.668 . . . . 72.150000000000006 110.304 -179.518 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -85.52 165.95 32.9 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.403 -0.817 . . . . 75.0 109.558 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -69.17 54.3 0.94 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.953 2.435 . . . . 72.450000000000003 111.694 173.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.432 ' OD2' ' HG2' ' A' ' 106' ' ' GLN . 27.7 t70 -149.14 168.64 22.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.599 -0.728 . . . . 54.240000000000002 109.175 -175.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.433 ' O ' ' HA ' ' A' ' 84' ' ' CYS . 87.4 m-70 -70.83 -73.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.78 -0.452 . . . . 71.310000000000002 109.78 174.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.518 ' HB2' ' CD1' ' A' ' 108' ' ' TRP . 0.0 OUTLIER -170.3 20.27 0.02 OUTLIER 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.723 0.297 . . . . 72.519999999999996 111.463 177.361 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.432 ' HG2' ' OD2' ' A' ' 103' ' ' ASP . 9.2 pt20 -66.66 -10.98 51.76 Favored 'General case' 0 N--CA 1.46 0.071 0 CA-C-N 116.595 -0.275 . . . . 75.409999999999997 110.511 -176.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -51.51 -50.11 60.6 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.283 -0.636 . . . . 72.230000000000004 109.283 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.664 ' CH2' ' HG2' ' A' ' 26' ' ' ARG . 7.9 m95 -73.16 -44.53 59.85 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.17 -0.923 . . . . 74.549999999999997 109.256 -176.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 39.0 mm -54.45 -59.83 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.191 -0.913 . . . . 72.299999999999997 110.054 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -54.9 -53.55 54.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.526 . . . . 74.340000000000003 111.079 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.75 -60.72 2.98 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.308 0.575 . . . . 64.409999999999997 111.137 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.645 HG12 ' HG ' ' A' ' 71' ' ' LEU . 31.7 mt -63.49 -53.16 48.75 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-N 116.239 -0.437 . . . . 63.43 111.118 -174.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -52.76 -44.01 66.19 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.749 0.277 . . . . 75.209999999999994 111.749 -177.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -74.85 -30.06 61.24 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.805 0.298 . . . . 71.420000000000002 111.805 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.812 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 89.6 m-70 -96.82 -20.54 18.11 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 114.139 1.163 . . . . 70.109999999999999 114.139 -173.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.427 ' HB3' HD22 ' A' ' 50' ' ' ASN . 1.2 pptt? -82.23 170.8 15.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 118.328 0.513 . . . . 73.129999999999995 111.822 -175.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.253 1.265 0 CA-C-N 115.534 -0.757 . . . . 73.010000000000005 109.77 176.557 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.0 m . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 121.094 0.473 . . . . 75.450000000000003 111.034 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.711 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 1.6 pm0 -64.18 132.19 49.65 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 114.751 -1.113 . . . . 51.200000000000003 111.656 175.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.673 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 2.2 tpm_? -106.93 111.07 23.4 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 114.831 -1.077 . . . . 72.340000000000003 108.232 170.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.589 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 3.1 p -123.33 107.59 11.81 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 123.498 0.499 . . . . 74.120000000000005 110.275 -177.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.18 171.18 35.66 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.456 -0.878 . . . . 36.609999999999999 112.479 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.531 HG12 ' HE3' ' A' ' 44' ' ' TRP . 0.8 OUTLIER -88.91 133.2 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.671 0.748 . . . . 74.439999999999998 111.514 -179.851 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.626 HD23 HD22 ' A' ' 97' ' ' LEU . 53.1 tp -115.84 122.25 44.84 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.673 -1.149 . . . . 62.43 109.772 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 p -76.87 99.71 5.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.985 -0.552 . . . . 55.130000000000003 109.998 176.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.574 ' HZ2' ' HE3' ' A' ' 33' ' ' TRP . 7.6 tmtm? -141.1 149.69 41.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.29 -0.414 . . . . 74.120000000000005 110.875 -177.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.574 ' HE3' ' HZ2' ' A' ' 32' ' ' LYS . 1.5 t90 -50.05 136.75 18.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.881 -1.054 . . . . 75.319999999999993 111.795 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.604 ' HB ' ' HG2' ' A' ' 41' ' ' GLN . 4.9 t -137.22 -6.42 1.81 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.186 0.517 . . . . 73.349999999999994 110.398 177.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.462 ' HB3' ' HB2' ' A' ' 38' ' ' HIS . 24.6 t-20 -169.94 155.37 5.62 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.485 -0.931 . . . . 74.310000000000002 108.485 -175.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -82.71 -54.22 5.31 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.922 0.391 . . . . 73.430000000000007 110.627 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 53.3 mt -65.7 -28.09 43.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.684 . . . . 63.0 110.502 -177.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.462 ' HB2' ' HB3' ' A' ' 35' ' ' ASN . 0.3 OUTLIER -94.1 -42.67 8.87 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.691 -0.686 . . . . 73.25 111.281 -179.795 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.66 -110.24 3.79 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.55 -0.833 . . . . 51.350000000000001 112.473 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 35.4 p90 -105.98 169.9 8.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.046 0.451 . . . . 73.329999999999998 111.476 -173.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.604 ' HG2' ' HB ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -148.73 162.96 38.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.342 -0.845 . . . . 63.439999999999998 108.939 168.468 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -94.86 98.58 10.83 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.446 -0.575 . . . . 73.239999999999995 109.446 177.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.518 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 10.4 ptp180 -97.43 150.28 21.21 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.857 -0.61 . . . . 64.439999999999998 110.01 -176.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.531 ' HE3' HG12 ' A' ' 29' ' ' VAL . 68.2 t-105 -97.18 110.94 23.39 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.304 -0.559 . . . . 63.43 110.291 -174.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.589 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 18.4 m -109.02 145.21 16.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 C-N-CA 120.8 -0.36 . . . . 60.409999999999997 110.804 -174.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.673 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 57.0 t -133.27 122.81 45.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.464 -0.789 . . . . 70.329999999999998 111.071 -177.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.711 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 5.3 tt -113.01 105.45 13.5 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.904 -0.406 . . . . 73.329999999999998 109.904 177.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.557 ' HB2' ' HB3' ' A' ' 25' ' ' GLU . 15.3 tptt -164.54 151.5 11.28 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.515 -0.55 . . . . 72.530000000000001 109.515 -178.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.471 ' OD1' ' HG3' ' A' ' 48' ' ' LYS . 16.4 m120 64.34 19.63 11.86 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 122.81 0.444 . . . . 54.240000000000002 110.447 -173.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.645 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 16.3 t-20 64.81 18.0 11.25 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.364 -0.835 . . . . 73.25 109.848 -175.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.92 126.1 53.45 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.159 -0.928 . . . . 74.450000000000003 109.344 175.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.63 ' HB2' HD23 ' A' ' 71' ' ' LEU . 53.7 tp -101.66 125.78 48.38 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.95 -0.759 . . . . 74.239999999999995 108.95 176.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.9 m -131.19 167.44 19.16 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.503 -0.771 . . . . 73.299999999999997 109.099 -175.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.417 ' HA ' ' O ' ' A' ' 44' ' ' TRP . 2.4 p90 -148.82 154.41 39.48 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.048 -0.661 . . . . 71.340000000000003 111.2 177.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.472 ' CD1' ' HD1' ' A' ' 44' ' ' TRP . 9.5 m-85 -124.66 163.62 21.63 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.832 -1.077 . . . . 75.329999999999998 108.319 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -60.65 -28.77 68.83 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.111 0.412 . . . . 43.200000000000003 112.111 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.431 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 22.0 t -168.93 -170.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.452 -0.573 . . . . 71.230000000000004 109.452 178.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -67.57 -20.07 65.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.064 -0.516 . . . . 73.540000000000006 111.013 -174.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.407 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 7.6 t0 -81.73 49.71 1.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.803 0.811 . . . . 74.510000000000005 109.488 176.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -49.18 -23.83 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.834 -1.076 . . . . 71.329999999999998 112.061 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -41.54 70.64 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.419 0.525 . . . . 74.129999999999995 112.419 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -106.58 -24.81 12.06 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.576 -0.45 . . . . 61.520000000000003 111.627 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.431 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 32.0 m-85 -75.09 -38.74 61.14 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.84 -0.344 . . . . 75.310000000000002 111.636 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.47 162.94 7.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.852 -0.69 . . . . 63.43 112.526 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.8 t -62.82 124.23 20.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.183 0.516 . . . . 75.019999999999996 110.323 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.495 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 4.3 mmm180 -98.82 -20.52 16.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.768 -0.651 . . . . 74.129999999999995 111.404 -175.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -175.4 152.46 13.43 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.901 -0.88 . . . . 63.329999999999998 110.901 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.463 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 17.1 p -151.53 153.22 34.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.925 0.363 . . . . 74.209999999999994 111.389 -176.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 22.3 pt -142.05 161.21 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.768 -0.651 . . . . 73.230000000000004 110.38 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 55.6 m -98.31 139.43 34.09 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.862 -0.421 . . . . 74.319999999999993 109.862 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.63 HD23 ' HB2' ' A' ' 52' ' ' LEU . 4.2 mm? -87.87 -0.32 56.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.724 0.638 . . . . 75.430000000000007 112.724 -172.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -68.54 -59.05 3.42 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.972 -0.291 . . . . 44.119999999999997 110.762 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -93.4 19.85 7.84 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.99 0.367 . . . . 72.120000000000005 111.99 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.64 123.13 32.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.729 0.299 . . . . 73.209999999999994 110.284 177.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.411 ' HB ' ' HG ' ' A' ' 89' ' ' SER . 61.9 t -83.06 117.42 28.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.431 -0.35 . . . . 71.329999999999998 110.89 -177.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.6 mt -83.75 110.26 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 65.310000000000002 110.151 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.8 m -118.4 118.82 33.6 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 116.299 -0.41 . . . . 73.099999999999994 110.373 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -57.31 128.8 31.03 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.069 1.846 . . . . 63.409999999999997 111.414 176.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -70.87 145.94 49.93 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.272 -0.64 . . . . 75.230000000000004 109.272 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -75.36 -57.27 3.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.08 0.467 . . . . 74.239999999999995 110.985 -174.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -68.31 -22.2 64.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.526 -0.761 . . . . 71.430000000000007 111.525 -176.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.847 ' HB2' ' HB3' ' A' ' 85' ' ' ARG . 32.1 m-20 -128.55 117.35 21.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.465 -0.334 . . . . 53.530000000000001 110.57 -176.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -75.41 -24.66 57.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.074 0.464 . . . . 75.310000000000002 111.134 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 80.8 m -96.67 3.22 52.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.346 -0.388 . . . . 54.119999999999997 111.005 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.847 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 2.1 ttp180 -104.37 137.28 42.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.327 -0.397 . . . . 73.319999999999993 110.298 178.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.52 ' CE1' ' HG3' ' A' ' 105' ' ' ARG . 23.3 m-85 -122.85 128.09 49.91 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.513 0.673 . . . . 74.549999999999997 111.429 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -90.4 115.56 27.67 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.556 -1.202 . . . . 54.100000000000001 109.664 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.743 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 39.9 mm -100.22 95.61 4.24 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 115.367 -0.833 . . . . 74.120000000000005 109.687 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.411 ' HG ' ' HB ' ' A' ' 75' ' ' VAL . 80.6 p -103.29 107.96 18.99 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 120.109 -0.636 . . . . 72.25 111.139 -177.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.749 HG21 ' H ' ' A' ' 91' ' ' ASN . 6.3 p -116.04 -173.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 107.741 -1.207 . . . . 71.319999999999993 107.741 172.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.749 ' H ' HG21 ' A' ' 90' ' ' VAL . 7.3 m-20 -50.25 105.06 0.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 122.51 0.324 . . . . 70.310000000000002 111.249 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.5 t70 72.2 -20.08 0.26 Allowed 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.11 0.781 . . . . 62.340000000000003 113.11 173.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.535 ' HB3' ' HE1' ' A' ' 95' ' ' TRP . 33.6 m -107.99 114.05 27.69 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.741 -0.6 . . . . 73.409999999999997 111.134 -175.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.9 t -110.22 117.98 55.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.039 -0.528 . . . . 74.219999999999999 109.679 176.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.743 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 28.8 m95 -111.09 109.01 18.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.819 0.342 . . . . 65.319999999999993 110.898 -174.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.503 ' HB3' ' HD2' ' A' ' 85' ' ' ARG . 80.0 m-85 -85.3 78.8 9.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.248 -0.433 . . . . 71.25 110.575 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.626 HD22 HD23 ' A' ' 30' ' ' LEU . 88.4 mt -81.69 161.04 23.54 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.877 -0.416 . . . . 70.150000000000006 109.877 -177.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.492 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 5.2 ttm-85 -137.72 151.55 48.32 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.406 -0.59 . . . . 74.430000000000007 109.406 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.57 -174.53 0.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.487 0.492 . . . . 72.420000000000002 110.808 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' A' ' 101' ' ' ASP . 69.1 mm-40 -53.66 -56.65 15.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 73.040000000000006 110.156 -178.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.796 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 27.7 t70 176.02 -57.05 0.0 OUTLIER Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 115.182 -0.917 . . . . 62.350000000000001 110.137 172.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.796 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 4.6 Cg_exo -78.9 -47.97 0.09 OUTLIER 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.292 1.994 . . . . 73.129999999999995 112.171 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 104' ' ' HIS . 5.4 p-10 -157.28 -149.39 0.24 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.972 -0.558 . . . . 64.299999999999997 110.076 -177.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' A' ' 103' ' ' ASP . 9.4 m80 71.58 62.2 0.15 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.938 0.875 . . . . 65.219999999999999 110.763 -176.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.52 ' HG3' ' CE1' ' A' ' 86' ' ' PHE . 31.6 ttm180 -81.29 -34.86 31.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.344 -1.298 . . . . 70.230000000000004 109.454 175.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -61.0 -9.58 4.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.346 -1.297 . . . . 72.420000000000002 112.052 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.412 ' OE1' ' HD2' ' A' ' 104' ' ' HIS . 12.2 mm100 -54.42 -45.28 72.94 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.947 -0.39 . . . . 70.200000000000003 109.947 174.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.494 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 13.1 m95 -74.85 -40.21 61.13 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 115.741 -0.663 . . . . 75.200000000000003 109.695 -175.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.3 mm -60.71 -56.8 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 115.306 -0.861 . . . . 61.409999999999997 109.495 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -56.49 -49.11 75.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.76 -0.654 . . . . 73.140000000000001 110.913 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.494 ' HB1' HD22 ' A' ' 47' ' ' LEU . . . -55.9 -58.8 6.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 71.340000000000003 111.298 -179.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.508 HG21 ' HB3' ' A' ' 71' ' ' LEU . 43.6 mt -67.44 -51.15 55.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.604 -0.271 . . . . 73.319999999999993 111.24 -174.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 65.2 mm-40 -51.96 -45.41 64.38 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 111.722 0.267 . . . . 63.539999999999999 111.722 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -77.84 -28.51 50.15 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.973 0.36 . . . . 71.540000000000006 111.973 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.645 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 7.2 m-70 -86.64 -24.0 25.47 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.603 0.594 . . . . 73.319999999999993 112.603 -177.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 113' ' ' GLU . 0.9 OUTLIER -71.2 171.0 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.159 0.504 . . . . 72.409999999999997 111.815 -173.003 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 32.8 p . . . . . 0 C--O 1.249 1.034 0 CA-C-N 115.646 -0.706 . . . . 72.409999999999997 110.502 -178.727 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.414 ' H2 ' ' HA ' ' A' ' 111' ' ' ALA . 11.4 p . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 109.809 -0.441 . . . . 74.439999999999998 109.809 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.6 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 6.3 pm0 -49.07 132.98 18.97 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 121.891 0.853 . . . . 72.439999999999998 111.564 175.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.54 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -123.32 110.5 15.26 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 114.938 -1.028 . . . . 64.140000000000001 109.028 175.197 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.499 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 6.2 p -120.79 108.08 13.51 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.086 -0.506 . . . . 42.240000000000002 110.03 -177.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.82 169.84 38.91 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.783 -0.722 . . . . 54.409999999999997 111.807 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.823 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 2.4 m -90.57 132.26 35.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.674 0.749 . . . . 72.230000000000004 111.941 -178.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.3 tp -107.43 120.4 42.07 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.655 -1.157 . . . . 72.409999999999997 109.204 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -78.9 100.15 7.09 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.873 -0.603 . . . . 72.340000000000003 110.944 -177.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.469 ' HE3' ' CZ3' ' A' ' 33' ' ' TRP . 31.5 tptt -159.99 170.28 21.65 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.059 -0.256 . . . . 72.129999999999995 110.318 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.56 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 15.3 p90 -74.67 148.08 40.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.911 0.386 . . . . 73.219999999999999 110.926 -179.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 p -115.67 -6.58 12.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.239 -0.437 . . . . 71.219999999999999 111.792 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -152.46 -80.14 0.1 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.6 -0.273 . . . . 74.430000000000007 111.16 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.431 ' O ' ' HB2' ' A' ' 33' ' ' TRP . 24.0 m-85 -77.08 155.53 32.38 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 122.293 -0.255 . . . . 74.25 110.531 175.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.2 pt -61.67 -22.77 29.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 112.038 0.384 . . . . 73.140000000000001 112.038 -176.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -117.01 24.56 11.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.872 0.367 . . . . 75.430000000000007 111.113 176.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -101.05 66.6 0.49 Allowed Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.634 -0.986 . . . . 74.409999999999997 110.634 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.56 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 3.9 m0 -85.03 141.07 30.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.17 0.51 . . . . 75.329999999999998 111.317 -172.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -152.64 164.99 36.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.455 -0.793 . . . . 74.010000000000005 109.307 172.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.823 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 6.1 m-20 -91.32 102.98 15.68 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.309 -0.626 . . . . 75.099999999999994 109.309 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.459 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 38.1 ptt180 -95.32 146.83 24.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.689 -0.687 . . . . 74.349999999999994 110.247 -176.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.539 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 70.1 t-105 -89.89 112.92 24.43 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.724 -0.39 . . . . 75.239999999999995 110.809 -171.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 17.2 m -110.36 143.12 20.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.997 0.427 . . . . 73.430000000000007 111.029 -176.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.54 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 73.8 t -132.87 114.09 21.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.192 -0.913 . . . . 63.229999999999997 110.406 -178.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.571 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 4.2 tt -112.97 111.63 22.51 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.023 -0.362 . . . . 75.310000000000002 110.023 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.6 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 5.6 tptt -172.97 154.99 2.97 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.358 -0.608 . . . . 74.219999999999999 109.358 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 58.9 24.76 12.86 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.845 0.458 . . . . 70.239999999999995 111.584 -175.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.734 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 4.5 t-20 71.66 10.22 6.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.292 -0.867 . . . . 72.109999999999999 110.798 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.19 139.09 50.23 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.565 -0.743 . . . . 51.149999999999999 109.859 176.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.564 HD23 HD11 ' A' ' 69' ' ' ILE . 60.8 tp -119.01 129.45 55.14 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.228 -0.656 . . . . 74.239999999999995 109.228 175.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.8 m -140.15 148.62 41.91 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 116.254 -0.43 . . . . 72.319999999999993 109.926 -176.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.539 ' HA ' ' O ' ' A' ' 44' ' ' TRP . 2.1 p90 -130.98 154.15 48.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.5 0.667 . . . . 74.329999999999998 110.96 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.526 ' HD2' ' HD1' ' A' ' 44' ' ' TRP . 21.7 m-85 -127.35 171.21 11.71 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.853 -1.067 . . . . 73.200000000000003 108.526 -177.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 29.3 mmmt -58.74 -73.61 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.786 0.662 . . . . 73.230000000000004 112.786 -176.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.535 ' O ' ' HB2' ' A' ' 44' ' ' TRP . 6.1 p -105.82 -85.58 0.49 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.721 0.296 . . . . 52.109999999999999 111.561 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -153.95 -28.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.157 -0.474 . . . . 74.439999999999998 110.066 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.518 ' HB3' ' HE2' ' A' ' 63' ' ' TYR . 4.6 t70 -38.14 -48.08 1.21 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.048 -0.978 . . . . 63.340000000000003 112.157 175.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 39.02 22.15 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.961 1.467 . . . . 74.310000000000002 114.961 -177.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 t -108.63 -31.91 7.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 119.125 0.875 . . . . 73.150000000000006 111.118 -176.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -109.3 -9.65 14.97 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.557 -0.457 . . . . 64.150000000000006 111.344 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.518 ' HE2' ' HB3' ' A' ' 59' ' ' ASP . 47.4 m-85 -85.52 -11.34 54.4 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.469 -0.332 . . . . 73.310000000000002 111.234 -177.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.442 ' O ' ' HE1' ' A' ' 55' ' ' TYR . . . 70.47 -82.18 0.38 Allowed Glycine 0 C--O 1.227 -0.289 0 CA-C-N 116.131 -0.486 . . . . 44.119999999999997 112.446 178.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.4 p -175.34 113.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.176 0.591 . . . . 55.020000000000003 109.481 177.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.483 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 3.0 mmm180 -81.44 -27.1 34.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.226 0.536 . . . . 73.439999999999998 110.735 -175.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.416 ' HA3' ' CD1' ' A' ' 54' ' ' TYR . . . -143.77 154.96 25.92 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 110.598 -1.001 . . . . 70.109999999999999 110.598 176.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.9 p -164.63 110.39 0.98 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.078 0.466 . . . . 75.519999999999996 110.793 -176.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.573 ' HB ' HG13 ' A' ' 90' ' ' VAL . 43.3 pt -124.56 160.04 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.037 -0.528 . . . . 73.409999999999997 110.424 178.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 80.2 m -115.0 131.97 56.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.935 -0.575 . . . . 74.310000000000002 110.264 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.662 ' HG ' HG12 ' A' ' 112' ' ' ILE . 4.3 mm? -75.3 8.53 2.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 73.349999999999994 111.712 -176.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.5 m -66.49 -38.16 86.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 71.109999999999999 110.91 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.485 ' HE2' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -132.15 16.64 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.22 0.533 . . . . 61.100000000000001 110.847 178.743 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.734 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -84.22 107.95 16.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.896 -0.593 . . . . 72.439999999999998 109.824 177.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 50.2 t -71.45 125.34 29.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.888 -0.596 . . . . 74.420000000000002 110.707 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.428 HD11 HD11 ' A' ' 112' ' ' ILE . 44.3 mt -86.18 100.76 9.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.774 -0.648 . . . . 73.549999999999997 109.887 176.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.5 m -92.53 113.16 58.62 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 110.156 -0.313 . . . . 74.530000000000001 110.156 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.509 ' HA ' ' CD1' ' A' ' 86' ' ' PHE . 21.3 Cg_exo -64.82 130.99 27.64 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.435 2.09 . . . . 71.219999999999999 111.44 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -70.98 151.08 45.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.418 -0.586 . . . . 75.140000000000001 109.418 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -77.81 -63.36 1.4 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.842 0.353 . . . . 55.109999999999999 111.567 -174.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -72.13 -35.77 69.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.077 -0.51 . . . . 73.349999999999994 111.489 -178.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.49 131.67 35.41 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.984 -0.553 . . . . 74.329999999999998 111.622 -173.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -84.19 -37.0 22.41 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.319 -0.855 . . . . 75.340000000000003 110.016 176.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 56.9 m -96.37 18.41 13.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.4 -0.818 . . . . 74.340000000000003 111.732 -174.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.719 ' HB2' ' HG3' ' A' ' 98' ' ' ARG . 32.1 ttt180 -121.41 146.56 46.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.505 0.669 . . . . 72.219999999999999 111.921 -178.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.598 ' HD2' ' HD1' ' A' ' 108' ' ' TRP . 8.9 m-85 -141.57 125.78 17.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.59 -1.186 . . . . 75.540000000000006 110.131 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.425 ' OD2' ' HD1' ' A' ' 96' ' ' TYR . 8.4 m-20 -96.28 103.82 15.75 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.928 -0.578 . . . . 75.209999999999994 109.615 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 26.0 mm -78.17 141.99 14.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.904 -0.589 . . . . 73.219999999999999 109.539 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.8 p -143.55 112.53 6.66 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.969 -0.692 . . . . 72.209999999999994 112.055 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.734 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 7.3 p -145.88 130.75 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 72.109999999999999 110.224 177.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.444 ' O ' ' HB2' ' A' ' 92' ' ' ASP . 51.7 m-80 58.21 26.91 14.39 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.942 0.401 . . . . 65.420000000000002 111.164 -176.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 91' ' ' ASN . 86.4 m-20 72.45 1.37 3.94 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.191 -0.913 . . . . 74.140000000000001 112.386 -175.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.6 m -79.03 99.95 7.11 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.667 -0.864 . . . . 71.0 108.667 171.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.527 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 48.0 t -97.37 118.71 44.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.87 -0.604 . . . . 62.219999999999999 110.416 -177.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.536 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 17.6 m95 -108.52 101.48 10.64 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.868 -0.605 . . . . 73.409999999999997 109.799 -177.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.425 ' HD1' ' OD2' ' A' ' 87' ' ' ASP . 6.6 m-85 -73.32 84.15 1.42 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.418 -0.586 . . . . 74.540000000000006 109.418 177.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.556 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 24.5 tp -100.59 142.71 31.68 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.228 -0.286 . . . . 72.400000000000006 110.228 -169.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.719 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 18.2 ttp180 -143.0 154.44 44.01 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.024 -0.362 . . . . 72.319999999999993 110.024 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 103' ' ' ASP . . . -57.86 136.97 57.08 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.133 -0.321 . . . . 64.409999999999997 110.133 174.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.494 ' H ' ' NE2' ' A' ' 100' ' ' GLN . 2.0 mp0 -64.31 -71.34 0.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.103 -0.499 . . . . 54.399999999999999 111.407 -175.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.72 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 19.0 t70 -148.3 -63.6 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.451 0 N-CA-C 111.894 0.331 . . . . 63.009999999999998 111.894 -177.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 89.5 Cg_endo -89.55 8.25 3.8 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.101 1.867 . . . . 72.109999999999999 111.778 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.502 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . 6.0 m-20 -96.05 161.27 14.05 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.229 -0.896 . . . . 74.409999999999997 111.346 -173.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.523 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 28.5 m170 -119.8 175.97 5.63 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.319 -0.993 . . . . 74.319999999999993 108.319 168.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.596 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 3.6 ppt_? -68.27 -12.77 61.56 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.338 -0.545 . . . . 75.540000000000006 111.225 -178.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HG2' ' HB2' ' A' ' 104' ' ' HIS . 7.5 pt20 -55.87 -25.62 43.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.461 -0.79 . . . . 74.319999999999993 111.607 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 8.9 mm100 -57.95 -40.83 81.5 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.039 0.447 . . . . 73.239999999999995 110.041 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.598 ' HD1' ' HD2' ' A' ' 86' ' ' PHE . 9.1 m95 -76.1 -42.72 46.27 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 109.114 -0.699 . . . . 73.25 109.114 -176.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 33.2 mm -59.35 -53.68 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 115.091 -0.959 . . . . 75.430000000000007 109.987 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 114' ' ' GLN . 6.1 t70 -56.9 -47.4 80.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.692 -0.685 . . . . 73.329999999999998 110.645 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.414 ' HA ' ' H2 ' ' A' ' 24' ' ' VAL . . . -55.76 -61.7 2.19 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.553 0.692 . . . . 71.319999999999993 110.962 178.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.662 HG12 ' HG ' ' A' ' 71' ' ' LEU . 30.4 mt -67.39 -47.21 81.68 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 115.917 -0.583 . . . . 74.230000000000004 111.779 -172.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.744 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 72.6 mm-40 -56.13 -44.61 79.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 54.119999999999997 111.16 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 2.6 mp0 -76.46 -16.24 59.71 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.474 -0.491 . . . . 75.129999999999995 111.657 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.734 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 94.4 m-70 -111.89 6.85 19.78 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 114.145 1.165 . . . . 73.319999999999993 114.145 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.744 ' HE2' ' O ' ' A' ' 113' ' ' GLU . 28.3 mtmt -49.97 166.99 0.06 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 122.196 0.998 . . . . 73.120000000000005 112.898 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.312 -1.044 0 CA-C-N 114.363 -1.289 . . . . 73.140000000000001 110.848 -166.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.106 -0.331 . . . . 73.140000000000001 110.106 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -72.34 -70.59 0.33 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.223 0.535 . . . . 65.530000000000001 110.372 -174.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.548 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 4.4 tpm_? -128.56 120.79 27.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.744 -0.662 . . . . 75.329999999999998 109.979 178.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.0 p -139.04 109.51 6.55 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.761 -0.654 . . . . 63.310000000000002 109.307 172.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.28 175.84 41.67 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.384 -0.912 . . . . 75.219999999999999 112.2 -177.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.468 HG12 ' HE3' ' A' ' 44' ' ' TRP . 1.9 m -92.76 132.57 36.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.493 0.663 . . . . 70.239999999999995 111.742 -178.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.51 HD11 ' N ' ' A' ' 31' ' ' SER . 1.9 tm? -105.83 130.74 53.74 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.058 -0.974 . . . . 73.409999999999997 108.76 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.51 ' N ' HD11 ' A' ' 30' ' ' LEU . 1.1 p -95.64 88.95 5.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.862 -0.608 . . . . 71.540000000000006 110.951 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.467 ' HE3' ' CE2' ' A' ' 96' ' ' TYR . 27.4 tptp -113.37 131.8 55.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.233 -0.44 . . . . 75.049999999999997 110.884 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.556 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 2.9 m-90 -63.47 146.08 54.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.699 -0.682 . . . . 64.519999999999996 110.246 177.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.9 t -169.75 -28.24 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.268 -0.424 . . . . 71.230000000000004 110.612 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.635 ' HB2' ' HB2' ' A' ' 38' ' ' HIS . 14.9 m120 -111.08 120.84 43.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.38 -0.6 . . . . 60.039999999999999 109.38 176.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -57.17 -51.17 70.4 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 111.88 0.326 . . . . 63.240000000000002 111.88 -177.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.58 HG13 ' HD2' ' A' ' 38' ' ' HIS . 29.7 pt -76.14 3.65 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.991 0.424 . . . . 74.409999999999997 111.744 -175.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.635 ' HB2' ' HB2' ' A' ' 35' ' ' ASN . 23.6 m170 -116.03 -46.65 2.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.426 0.632 . . . . 74.439999999999998 110.273 178.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.465 ' O ' ' HA ' ' A' ' 33' ' ' TRP . . . 98.3 -116.31 5.52 Favored Glycine 0 N--CA 1.438 -1.214 0 N-CA-C 110.22 -1.152 . . . . 63.520000000000003 110.22 -170.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.599 ' HZ3' ' HB3' ' A' ' 42' ' ' ASP . 67.2 p-90 -83.27 143.77 30.19 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.91 0.386 . . . . 70.219999999999999 110.517 177.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -112.87 149.97 32.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.889 -0.596 . . . . 73.140000000000001 109.689 170.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.599 ' HB3' ' HZ3' ' A' ' 40' ' ' TRP . 12.1 p-10 -103.9 112.57 25.6 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.68 0.752 . . . . 71.310000000000002 110.334 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -116.0 148.9 39.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.187 -0.915 . . . . 62.409999999999997 109.618 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.468 ' HE3' HG12 ' A' ' 29' ' ' VAL . 67.7 t-105 -90.78 111.66 23.13 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.942 -0.392 . . . . 75.109999999999999 109.942 -175.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 p -110.25 142.71 21.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-O 121.213 0.53 . . . . 72.439999999999998 110.714 -175.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.548 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 37.8 t -136.22 130.93 48.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.25 -0.886 . . . . 74.319999999999993 110.92 -175.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.9 tt -115.11 125.41 53.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.859 -0.793 . . . . 75.230000000000004 108.859 175.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -164.51 163.59 22.0 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 110.509 -0.182 . . . . 75.219999999999999 110.509 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.55 ' O ' ' HB3' ' A' ' 115' ' ' HIS . 13.5 m120 64.5 -90.81 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.011 0.524 . . . . 72.430000000000007 110.061 -178.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.509 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 2.8 t-20 -162.01 36.46 0.12 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 106.246 -1.761 . . . . 74.230000000000004 106.246 164.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -134.82 158.27 44.64 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 113.826 -1.534 . . . . 63.5 110.187 -176.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 46' ' ' VAL . 31.5 tp -121.74 130.45 53.44 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.563 -0.744 . . . . 74.230000000000004 109.157 177.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.9 m -129.4 157.95 40.52 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.901 -0.591 . . . . 65.329999999999998 109.46 -176.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.602 ' HB3' ' HZ3' ' A' ' 95' ' ' TRP . 1.2 p90 -146.73 155.78 42.66 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.183 -0.607 . . . . 72.340000000000003 110.382 176.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.41 ' HD2' ' O ' ' A' ' 64' ' ' GLY . 10.3 m-85 -130.63 163.74 26.5 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.264 -1.013 . . . . 70.239999999999995 108.264 -177.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -55.19 -47.68 74.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.842 0.354 . . . . 71.219999999999999 111.193 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.4 m -156.55 -167.27 2.35 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.651 -0.499 . . . . 65.329999999999998 109.651 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.445 ' C ' ' H ' ' A' ' 60' ' ' GLU . 35.1 tt0 -63.86 -21.38 66.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.812 0.339 . . . . 70.230000000000004 110.665 -176.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.476 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 5.5 m-20 -74.14 42.1 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.079 0.466 . . . . 72.030000000000001 110.672 176.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -60.83 -21.58 63.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.904 -0.589 . . . . 73.420000000000002 111.055 -178.811 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.73 -34.54 62.62 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.745 -1.116 . . . . 72.310000000000002 111.783 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -114.62 -24.36 8.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.361 -0.381 . . . . 73.239999999999995 111.195 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.476 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 8.3 m-85 -69.23 -39.73 78.35 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 121.023 -0.271 . . . . 75.109999999999999 111.418 -178.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.41 ' O ' ' HD2' ' A' ' 55' ' ' TYR . . . 75.65 170.43 28.6 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.53 -0.843 . . . . 61.119999999999997 111.516 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.7 p -69.7 118.82 13.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.378 0.609 . . . . 64.409999999999997 110.742 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.498 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 12.7 mmm180 -81.48 -34.63 31.24 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.612 -0.722 . . . . 71.439999999999998 110.228 178.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -147.58 148.98 21.01 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.012 -0.995 . . . . 72.530000000000001 110.988 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.6 t -154.78 106.99 2.73 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.844 -0.428 . . . . 63.409999999999997 109.844 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.584 ' HB ' HG11 ' A' ' 90' ' ' VAL . 26.8 pt -111.49 156.14 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.922 0.392 . . . . 74.5 111.324 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 57.1 m -94.79 121.48 36.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.527 -0.761 . . . . 75.219999999999999 110.055 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.806 HD23 HG12 ' A' ' 112' ' ' ILE . 6.6 mp -86.24 16.66 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.065 0.46 . . . . 64.120000000000005 110.936 -176.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.1 m -64.97 -45.95 83.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.805 -0.634 . . . . 72.120000000000005 110.727 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.24 15.75 5.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.38 -0.373 . . . . 75.200000000000003 111.39 -178.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.29 130.45 43.37 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.289 -0.414 . . . . 73.420000000000002 110.464 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.7 t -85.76 114.19 25.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.212 -0.449 . . . . 74.150000000000006 110.478 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.494 HG21 ' HD2' ' A' ' 86' ' ' PHE . 50.5 mt -81.36 99.35 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.364 -0.606 . . . . 71.400000000000006 109.364 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.421 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 14.6 m -102.43 113.14 66.02 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.125 -0.489 . . . . 73.219999999999999 110.953 -174.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 77' ' ' THR . 13.9 Cg_endo -57.58 130.93 41.37 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.118 1.879 . . . . 63.539999999999999 110.892 175.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -63.02 -24.53 67.96 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.25 -0.278 . . . . 71.430000000000007 110.25 -178.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.1 t70 73.28 -56.82 0.65 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.895 0.878 . . . . 71.239999999999995 111.845 171.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -66.9 -18.58 65.45 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.006 -0.738 . . . . 74.310000000000002 109.006 173.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -119.17 141.85 48.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.071 -0.968 . . . . 71.400000000000006 108.835 173.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -95.33 -16.01 22.7 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.135 -0.484 . . . . 75.209999999999994 110.694 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 65.7 m -116.04 -0.58 12.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.087 -0.506 . . . . 71.439999999999998 111.435 -174.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.536 ' HB2' ' HG3' ' A' ' 98' ' ' ARG . 56.8 ttm-85 -111.19 140.18 45.96 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.475 0.655 . . . . 72.340000000000003 111.846 176.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.494 ' HD2' HG21 ' A' ' 76' ' ' ILE . 10.1 m-85 -131.7 130.67 42.29 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.905 -1.043 . . . . 64.340000000000003 109.983 176.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.485 ' HA ' ' O ' ' A' ' 95' ' ' TRP . 1.4 m-20 -94.99 125.69 39.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.125 -0.489 . . . . 72.439999999999998 110.032 -178.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.77 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 33.1 mm -98.17 103.49 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.586 -0.279 . . . . 73.409999999999997 110.438 -178.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.3 m -106.25 114.34 28.4 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 121.223 0.535 . . . . 71.430000000000007 111.556 -176.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.584 HG11 ' HB ' ' A' ' 69' ' ' ILE . 14.8 p -140.09 128.56 26.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.05 -0.722 . . . . 61.409999999999997 109.05 174.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.414 HD21 HG23 ' A' ' 90' ' ' VAL . 50.9 m-80 61.31 22.63 12.97 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.466 0.174 . . . . 53.130000000000003 111.247 -176.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.8 t70 75.28 2.31 3.86 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 123.817 0.698 . . . . 64.239999999999995 111.601 -175.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 48.9 m -82.65 99.75 9.78 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.948 -0.76 . . . . 74.109999999999999 108.948 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 40.0 t -89.6 124.3 42.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.805 -0.634 . . . . 74.409999999999997 111.082 -175.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.77 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 25.3 m95 -109.21 165.03 11.92 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.653 -0.703 . . . . 73.420000000000002 109.24 177.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.467 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 2.4 m-85 -133.67 96.16 3.63 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.773 -0.371 . . . . 74.120000000000005 110.428 -176.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.7 mt -100.44 121.19 41.13 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.027 -0.36 . . . . 73.209999999999994 110.027 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.536 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 2.0 ttp180 -114.65 167.21 10.95 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.936 -0.394 . . . . 73.129999999999995 109.936 -178.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.532 ' HB3' ' NE ' ' A' ' 105' ' ' ARG . . . -76.47 129.95 37.26 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.207 -0.451 . . . . 74.129999999999995 110.735 176.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.31 -45.7 79.42 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 107.943 -1.132 . . . . 71.530000000000001 107.943 173.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.532 ' O ' ' HB1' ' A' ' 99' ' ' ALA . 11.5 p-10 -105.82 120.93 47.53 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 114.475 -1.239 . . . . 72.430000000000007 108.237 169.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 31.6 Cg_exo -58.7 94.32 0.08 OUTLIER 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 123.317 2.678 . . . . 73.510000000000005 114.194 -170.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.455 ' CG ' ' H ' ' A' ' 104' ' ' HIS . 7.7 t70 -161.59 -163.58 1.0 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.894 -0.78 . . . . 73.209999999999994 108.894 174.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.455 ' H ' ' CG ' ' A' ' 103' ' ' ASP . 73.0 m80 -63.21 146.49 53.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.94 0.4 . . . . 72.109999999999999 110.789 -176.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.793 ' NE ' ' HA ' ' A' ' 105' ' ' ARG . 3.9 mmp_? -90.24 34.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.624 0.726 . . . . 73.329999999999998 111.977 -178.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -61.55 -18.29 58.57 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.378 -1.283 . . . . 72.120000000000005 110.68 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -53.96 -43.46 69.93 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.412 -0.813 . . . . 72.409999999999997 110.315 177.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.721 ' HE1' ' HD3' ' A' ' 105' ' ' ARG . 14.0 m95 -75.46 -40.68 57.12 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.819 -0.628 . . . . 72.129999999999995 109.581 -175.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 29.7 mm -55.92 -56.86 10.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.339 -0.846 . . . . 73.530000000000001 109.417 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -55.89 -51.33 67.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.633 -0.712 . . . . 71.450000000000003 111.064 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.0 -53.87 51.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.338 -0.392 . . . . 71.239999999999995 111.708 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.806 HG12 HD23 ' A' ' 71' ' ' LEU . 45.7 mt -70.89 -44.91 75.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.678 -0.237 . . . . 74.209999999999994 111.423 -174.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.46 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 23.3 mm-40 -64.33 -28.63 69.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 73.150000000000006 111.049 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -89.73 -16.98 29.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.715 0.293 . . . . 63.0 111.289 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.55 ' HB3' ' O ' ' A' ' 49' ' ' ASN . 10.1 m-70 -97.81 -0.28 45.48 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.193 0.442 . . . . 74.239999999999995 112.193 175.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.98 ' HE2' ' HA ' ' A' ' 116' ' ' LYS . 8.1 mmpt? -40.57 133.04 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.434 0.901 . . . . 75.030000000000001 113.434 177.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.249 1.055 0 CA-C-N 114.443 -1.253 . . . . 61.399999999999999 109.079 177.647 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 109.701 -0.481 . . . . 74.299999999999997 109.701 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.635 ' HG2' ' HA ' ' A' ' 48' ' ' LYS . 4.6 mm-40 -78.19 -34.5 49.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.16 0.505 . . . . 74.230000000000004 110.559 -173.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.471 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 5.2 tpm_? -163.69 127.12 2.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.803 -0.635 . . . . 63.350000000000001 109.529 176.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.4 p -143.78 110.12 5.45 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.884 -0.413 . . . . 74.329999999999998 109.884 174.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.29 172.03 44.85 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.289 -0.958 . . . . 73.109999999999999 112.138 -178.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.438 HG13 ' HE3' ' A' ' 44' ' ' TRP . 3.3 m -84.88 130.18 36.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.663 0.744 . . . . 70.129999999999995 111.116 179.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.417 HD22 ' O ' ' A' ' 96' ' ' TYR . 45.0 tp -114.92 135.29 54.37 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.862 -1.063 . . . . 63.130000000000003 109.366 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.3 m -89.31 114.16 25.52 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.057 0.456 . . . . 73.450000000000003 111.007 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HE3' ' CD1' ' A' ' 96' ' ' TYR . 25.2 tptp -140.89 122.29 14.97 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.487 -0.56 . . . . 74.040000000000006 109.487 177.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.646 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 3.9 p90 -74.78 129.6 37.98 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.05 0.452 . . . . 72.219999999999999 109.959 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.7 t -134.41 22.87 3.73 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.849 0.833 . . . . 75.439999999999998 108.764 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -140.77 -62.65 0.48 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.816 -1.084 . . . . 75.120000000000005 109.396 -178.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.526 ' O ' ' HB2' ' A' ' 33' ' ' TRP . 91.7 m-85 -141.24 159.8 41.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.866 -0.607 . . . . 75.530000000000001 109.571 175.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 68.3 mt -57.84 -47.53 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 120.715 0.293 . . . . 75.329999999999998 111.56 -177.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -81.48 -20.9 39.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.119 0.485 . . . . 74.329999999999998 110.224 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.36 72.45 0.95 Allowed Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.756 -0.735 . . . . 65.120000000000005 111.638 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.646 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 22.1 p90 -80.45 144.01 32.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.31 0.576 . . . . 65.420000000000002 110.671 178.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -98.95 144.79 27.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.77 -0.65 . . . . 71.120000000000005 109.801 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -102.0 123.51 46.01 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.403 -0.592 . . . . 73.140000000000001 109.403 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.608 ' HD2' ' CE2' ' A' ' 54' ' ' TYR . 27.0 ptt180 -127.07 149.02 50.12 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.782 -0.645 . . . . 74.519999999999996 110.525 -174.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.438 ' HE3' HG13 ' A' ' 29' ' ' VAL . 68.3 t-105 -88.16 113.29 23.64 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.838 0.352 . . . . 70.340000000000003 110.261 -176.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.0 t -109.08 131.69 59.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 116.004 -0.544 . . . . 75.400000000000006 111.17 -174.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.54 ' O ' HD13 ' A' ' 52' ' ' LEU . 31.0 t -129.08 122.79 57.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-N 115.39 -0.823 . . . . 64.010000000000005 111.162 -179.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 48' ' ' LYS . 5.9 tt -116.66 130.83 56.96 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.995 -0.743 . . . . 74.049999999999997 108.995 176.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.635 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 52.1 pttt 179.74 161.79 0.9 Allowed 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.347 0.404 . . . . 71.25 110.876 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 56.28 32.6 20.69 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.512 0.507 . . . . 74.230000000000004 112.06 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.546 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 3.4 t-20 63.41 23.24 13.63 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.78 0.8 . . . . 65.409999999999997 110.263 -178.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.13 163.33 27.91 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.294 -0.866 . . . . 74.340000000000003 110.48 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.699 HD23 HD13 ' A' ' 69' ' ' ILE . 64.6 tp -140.48 134.76 31.15 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.305 -0.628 . . . . 73.0 109.305 177.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 49.6 m -149.45 145.95 27.18 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.331 -0.395 . . . . 73.299999999999997 109.992 -177.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.608 ' CE2' ' HD2' ' A' ' 43' ' ' ARG . 1.7 p90 -133.44 156.54 47.52 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.389 0.614 . . . . 75.310000000000002 110.917 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.43 ' CD1' ' HB3' ' A' ' 60' ' ' GLU . 4.1 m-85 -137.16 -179.71 5.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.091 -0.959 . . . . 72.439999999999998 109.616 -171.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -72.75 -38.0 67.5 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.196 0.443 . . . . 62.5 112.196 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.488 ' HB3' ' HE2' ' A' ' 63' ' ' TYR . 8.6 t -162.01 -168.58 1.95 Allowed 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.791 -0.364 . . . . 63.240000000000002 110.533 -176.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.75 -24.19 67.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.854 -0.612 . . . . 72.099999999999994 112.102 -172.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.425 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 9.8 m-20 -81.64 42.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.163 0.506 . . . . 73.040000000000006 110.79 176.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.43 ' HB3' ' CD1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -46.86 -33.39 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.118 -0.946 . . . . 72.400000000000006 113.336 -178.56 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.1 t -58.0 -26.86 62.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.233 0.456 . . . . 74.450000000000003 112.233 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -113.37 1.66 15.2 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.513 -0.475 . . . . 64.319999999999993 111.265 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.488 ' HE2' ' HB3' ' A' ' 57' ' ' SER . 16.3 m-85 -99.39 6.06 46.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.208 0.527 . . . . 74.219999999999999 110.528 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.83 -112.58 4.84 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.269 -0.878 . . . . 71.120000000000005 112.482 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.5 p -163.56 116.94 1.52 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.14 -0.689 . . . . 75.349999999999994 109.14 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 -90.99 -8.64 48.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.693 0.758 . . . . 75.430000000000007 109.89 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -172.92 129.51 1.71 Allowed Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 114.711 -1.131 . . . . 63.439999999999998 110.51 176.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.7 t -142.91 129.45 20.18 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.751 0.31 . . . . 73.129999999999995 110.286 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.699 HD13 HD23 ' A' ' 52' ' ' LEU . 16.5 pt -134.43 156.29 40.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.932 -0.577 . . . . 64.409999999999997 111.003 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 99.3 m -104.99 125.88 51.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.009 -0.541 . . . . 51.439999999999998 110.018 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.971 HD23 HG12 ' A' ' 112' ' ' ILE . 6.3 mp -82.9 10.54 7.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.763 -0.653 . . . . 73.109999999999999 111.734 -171.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.9 t -83.73 -13.12 54.76 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.851 -0.425 . . . . 72.040000000000006 109.851 174.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.4 22.25 2.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.215 0.531 . . . . 74.219999999999999 110.287 175.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.957 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -92.59 106.6 18.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.704 -0.68 . . . . 61.009999999999998 110.288 179.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.2 t -81.41 123.25 37.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.91 -0.587 . . . . 71.420000000000002 110.538 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.596 HD11 HD11 ' A' ' 112' ' ' ILE . 59.8 mt -81.96 106.18 12.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.011 -0.541 . . . . 71.409999999999997 110.691 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 90.3 m -94.07 124.15 57.01 Favored Pre-proline 0 C--N 1.317 -0.823 0 CA-C-N 115.816 -0.629 . . . . 74.310000000000002 109.702 176.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 16.7 Cg_exo -66.78 135.68 39.19 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.29 1.993 . . . . 74.319999999999993 111.52 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.525 ' HD2' ' N ' ' A' ' 81' ' ' PHE . 30.2 p-80 -44.44 161.53 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.343 0.592 . . . . 75.140000000000001 112.233 172.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -107.58 -6.93 16.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.959 -0.564 . . . . 71.299999999999997 109.977 174.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.525 ' N ' ' HD2' ' A' ' 79' ' ' HIS . 0.4 OUTLIER -152.13 -56.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.789 0.662 . . . . 74.25 112.789 -171.562 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.58 ' HB3' ' CB ' ' A' ' 85' ' ' ARG . 13.7 t70 -65.92 130.0 41.73 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 120.939 0.399 . . . . 71.5 111.686 -171.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -65.58 -22.59 66.7 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.698 -0.683 . . . . 75.049999999999997 112.06 -172.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 59.4 m -119.89 0.92 10.93 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.85 -0.34 . . . . 72.530000000000001 111.842 -175.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.58 ' CB ' ' HB3' ' A' ' 82' ' ' ASP . 20.9 ttm180 -84.19 142.94 29.96 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.762 0.792 . . . . 72.340000000000003 112.849 -176.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.537 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 7.5 m-85 -138.7 118.07 12.83 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.154 -1.385 . . . . 74.400000000000006 108.556 166.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -88.41 121.19 30.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.562 -0.745 . . . . 62.530000000000001 110.195 -173.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.771 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 31.8 mm -91.25 139.84 17.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.799 -0.445 . . . . 54.539999999999999 109.799 -179.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.7 p -133.74 114.57 13.57 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.388 0.613 . . . . 70.109999999999999 110.798 176.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.957 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 1.9 p -158.3 134.65 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.546 -0.752 . . . . 73.239999999999995 109.926 -177.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 59.66 26.88 16.02 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.059 0.456 . . . . 73.409999999999997 110.773 -178.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.5 t70 65.45 11.31 7.28 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.012 -0.994 . . . . 60.32 111.287 -175.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.3 m -96.87 113.23 24.76 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.371 -0.603 . . . . 62.210000000000001 109.371 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 48.6 t -94.1 123.36 46.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.157 0.503 . . . . 73.420000000000002 110.458 -178.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.771 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 28.6 m95 -111.08 155.74 22.36 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.687 -0.688 . . . . 71.030000000000001 109.906 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.461 ' CD1' ' HE3' ' A' ' 32' ' ' LYS . 41.8 m-85 -123.82 92.83 3.76 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 109.699 -0.482 . . . . 71.219999999999999 109.699 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.403 HD21 HG12 ' A' ' 88' ' ' ILE . 4.6 mm? -90.9 148.77 22.24 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.835 -0.432 . . . . 74.430000000000007 109.835 -178.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -140.19 136.23 33.22 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.097 -0.501 . . . . 74.120000000000005 110.159 -177.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.33 172.48 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.548 -0.296 . . . . 74.129999999999995 110.446 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -56.77 -65.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 75.099999999999994 111.243 -176.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.657 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 20.3 t70 -166.38 -53.63 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.314 -0.403 . . . . 70.140000000000001 110.379 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.657 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 86.7 Cg_endo -85.89 -162.5 0.15 Allowed 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.202 1.935 . . . . 54.119999999999997 111.369 173.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -74.86 95.62 2.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.441 0.639 . . . . 73.430000000000007 110.692 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.45 29.36 0.78 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.74 0.781 . . . . 73.230000000000004 108.917 176.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.63 HH11 HG13 ' A' ' 109' ' ' ILE . 1.0 OUTLIER -67.49 -25.9 66.09 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.561 -1.199 . . . . 72.109999999999999 110.826 -179.672 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -50.55 -19.67 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.265 -0.879 . . . . 65.430000000000007 112.658 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -49.62 -49.8 45.51 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-O 120.969 0.414 . . . . 71.109999999999999 110.689 176.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.43 ' O ' HG13 ' A' ' 112' ' ' ILE . 10.6 m95 -70.02 -46.16 65.68 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.752 -0.658 . . . . 74.230000000000004 109.805 -174.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.63 HG13 HH11 ' A' ' 105' ' ' ARG . 17.6 mm -59.79 -58.63 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.149 -0.932 . . . . 73.340000000000003 110.085 -177.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -55.48 -49.4 72.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.64 -0.709 . . . . 72.120000000000005 111.112 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.51 -59.49 4.38 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.216 -0.447 . . . . 60.530000000000001 111.041 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.971 HG12 HD23 ' A' ' 71' ' ' LEU . 19.8 mt -67.68 -48.79 74.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.686 -0.406 . . . . 75.329999999999998 111.346 -174.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -54.25 -41.82 69.22 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.874 0.369 . . . . 72.010000000000005 111.898 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -83.48 -26.98 29.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.254 -0.43 . . . . 74.230000000000004 111.861 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 16.6 m-70 -91.5 -23.96 19.8 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.108 0.781 . . . . 72.549999999999997 113.108 -176.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.477 ' HE3' ' O ' ' A' ' 116' ' ' LYS . 0.9 OUTLIER -69.56 152.46 44.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.133 0.492 . . . . 73.129999999999995 110.634 -177.455 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 37.6 p . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.789 -0.624 . . . . 72.340000000000003 110.495 -179.311 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.625 0.25 . . . . 44.130000000000003 110.419 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -68.41 -55.78 10.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.244 0.545 . . . . 72.329999999999998 109.921 -177.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 3.0 tpm_? -154.62 129.22 9.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.602 -0.727 . . . . 73.430000000000007 109.782 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 12.6 p -139.67 115.34 10.07 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.47 -0.567 . . . . 55.420000000000002 109.47 174.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -162.83 176.43 39.12 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.551 -0.833 . . . . 71.099999999999994 111.972 -178.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.1 m -88.95 137.46 21.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.627 0.727 . . . . 72.519999999999996 111.441 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.1 tp -116.79 131.44 56.95 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.95 -1.023 . . . . 74.430000000000007 109.361 176.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 p -99.06 113.74 26.09 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.105 -0.498 . . . . 52.43 110.699 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HE3' ' CE3' ' A' ' 33' ' ' TRP . 36.0 tptt -158.43 165.57 34.33 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.505 -0.554 . . . . 75.519999999999996 109.505 177.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.855 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 3.5 p90 -62.07 152.14 33.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.079 0.466 . . . . 74.239999999999995 110.815 -174.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.657 ' HB ' ' NH2' ' A' ' 43' ' ' ARG . 10.1 t -125.93 -31.97 2.84 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.1 -0.5 . . . . 63.399999999999999 109.985 175.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.745 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 16.5 m120 -151.31 177.64 10.05 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.197 -1.038 . . . . 73.219999999999999 108.197 177.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -75.88 -60.01 2.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.11 0.481 . . . . 75.400000000000006 110.299 175.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.0 tp -81.52 -12.11 12.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.289 0.566 . . . . 71.219999999999999 111.34 -176.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.745 ' HB3' ' HB2' ' A' ' 35' ' ' ASN . 13.6 t-160 -94.06 -2.57 52.7 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.662 -0.496 . . . . 75.200000000000003 109.662 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.66 -157.06 42.24 Favored Glycine 0 C--O 1.239 0.431 0 CA-C-N 115.537 -0.756 . . . . 71.209999999999994 113.744 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.855 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 46.3 p90 -93.98 138.97 31.5 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.481 -0.562 . . . . 71.310000000000002 109.481 177.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.476 ' HB3' HH21 ' A' ' 43' ' ' ARG . 16.4 tt0 -132.36 165.78 23.46 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.909 0.385 . . . . 71.25 110.07 -175.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -86.82 151.54 23.27 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.085 -0.709 . . . . 70.109999999999999 109.085 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.657 ' NH2' ' HB ' ' A' ' 34' ' ' THR . 3.0 ptp180 -147.48 142.74 27.27 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.996 -0.547 . . . . 71.340000000000003 109.592 175.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.646 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 68.7 t-105 -89.01 110.7 21.36 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.627 -0.429 . . . . 74.219999999999999 110.043 -174.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 18.6 m -105.2 138.33 30.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-O 121.11 0.481 . . . . 72.519999999999996 110.476 -176.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.512 HG13 ' HB2' ' A' ' 53' ' ' SER . 7.1 p -139.06 126.44 25.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.712 -0.676 . . . . 72.510000000000005 110.317 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.409 HD21 ' N ' ' A' ' 48' ' ' LYS . 5.9 tt -106.31 129.54 54.31 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.075 -0.713 . . . . 74.409999999999997 109.075 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.48 ' HG3' HD21 ' A' ' 49' ' ' ASN . 52.6 tptt -173.27 146.11 1.38 Allowed 'General case' 0 C--N 1.333 -0.135 0 O-C-N 123.253 0.346 . . . . 74.120000000000005 110.234 -178.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.48 HD21 ' HG3' ' A' ' 48' ' ' LYS . 35.7 m-80 59.84 27.11 16.38 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.141 0.423 . . . . 64.310000000000002 112.141 178.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.447 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 2.8 t-20 73.68 3.59 4.54 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.363 0.665 . . . . 75.239999999999995 110.712 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.18 148.74 29.48 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.561 -0.745 . . . . 74.219999999999999 109.742 177.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.42 ' HB2' HD21 ' A' ' 71' ' ' LEU . 43.8 tp -119.76 131.45 55.35 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 109.65 -0.5 . . . . 75.140000000000001 109.65 178.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.512 ' HB2' HG13 ' A' ' 46' ' ' VAL . 75.8 m -127.13 155.88 42.64 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.48 -0.782 . . . . 71.150000000000006 110.205 -172.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.646 ' HA ' ' O ' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -148.38 148.11 29.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.367 0.603 . . . . 72.230000000000004 110.885 172.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -121.35 171.74 8.54 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.928 -1.033 . . . . 61.43 109.263 -178.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.489 ' HD2' ' CD1' ' A' ' 63' ' ' TYR . 95.7 mttt -60.39 -36.3 77.77 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.372 0.42 . . . . 74.510000000000005 111.087 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.7 t -167.91 -164.6 0.57 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.008 -0.738 . . . . 54.240000000000002 109.008 175.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -69.36 -32.55 71.67 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.244 0.34 . . . . 71.0 111.601 -171.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -78.57 54.88 1.54 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.875 0.845 . . . . 71.420000000000002 109.569 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HA ' ' HB2' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -51.33 -20.19 1.61 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.226 -1.352 . . . . 74.049999999999997 112.496 178.398 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -47.18 64.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.96 -0.564 . . . . 74.409999999999997 112.238 178.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -100.67 -0.81 36.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.014 0.435 . . . . 55.140000000000001 110.892 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.489 ' CD1' ' HD2' ' A' ' 56' ' ' LYS . 16.9 m-85 -99.86 -8.74 23.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.224 -0.443 . . . . 74.150000000000006 111.343 -176.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.16 -91.15 0.19 Allowed Glycine 0 C--N 1.331 0.305 0 O-C-N 123.549 0.531 . . . . 73.299999999999997 112.704 173.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.8 p -167.68 149.87 5.72 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.584 -0.525 . . . . 70.0 109.584 176.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.497 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 11.3 mmm180 -119.08 -46.66 2.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.204 0.526 . . . . 72.219999999999999 111.373 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -144.48 145.46 14.97 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.323 -0.942 . . . . 74.239999999999995 112.462 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.2 p -149.39 113.72 5.24 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.92 -0.4 . . . . 62.210000000000001 109.92 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 44.8 pt -116.16 164.24 12.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.086 -0.506 . . . . 74.129999999999995 110.927 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.1 m -109.45 126.7 53.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.823 -0.626 . . . . 75.400000000000006 110.103 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.44 ' HG ' HG12 ' A' ' 112' ' ' ILE . 4.1 mm? -73.14 10.16 1.03 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.292 -0.413 . . . . 75.549999999999997 111.883 -177.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 p -73.9 -58.42 3.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.266 -0.425 . . . . 74.310000000000002 111.111 178.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.94 -6.29 22.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.335 -0.393 . . . . 65.230000000000004 111.199 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.31 112.94 8.81 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.768 -0.456 . . . . 74.310000000000002 109.768 176.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 69.3 t -77.05 124.71 35.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.146 -0.479 . . . . 64.319999999999993 111.423 -173.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.449 HD11 HD11 ' A' ' 112' ' ' ILE . 47.0 mt -79.96 100.04 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.678 -0.692 . . . . 75.120000000000005 109.601 173.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.41 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 18.0 m -101.09 107.8 51.71 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 116.053 -0.522 . . . . 74.329999999999998 109.856 177.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 77' ' ' THR . 18.8 Cg_endo -59.47 130.15 34.36 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.261 1.974 . . . . 52.329999999999998 110.885 176.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.423 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 18.7 t60 -75.32 138.69 41.97 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.507 -0.553 . . . . 74.209999999999994 109.507 -178.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -85.17 -44.49 12.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.084 0.469 . . . . 73.400000000000006 110.727 -174.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -71.27 -31.74 67.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.722 -0.672 . . . . 75.439999999999998 110.463 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.423 ' H ' ' HD2' ' A' ' 79' ' ' HIS . 1.5 m-20 -115.0 108.33 16.55 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.598 -0.728 . . . . 64.420000000000002 109.687 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.56 -37.59 71.06 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.282 0.563 . . . . 71.310000000000002 110.046 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 31.5 m -82.19 12.55 4.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.594 -0.73 . . . . 70.010000000000005 111.353 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.72 ' HD3' ' HB3' ' A' ' 96' ' ' TYR . 30.7 ttm-85 -120.6 141.69 50.09 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.407 0.623 . . . . 71.120000000000005 111.248 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -127.78 131.91 49.56 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.156 -0.929 . . . . 73.019999999999996 109.422 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.492 ' OD1' HG23 ' A' ' 94' ' ' VAL . 17.5 t70 -104.32 132.93 50.03 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.717 -0.674 . . . . 72.209999999999994 110.8 -175.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.715 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 32.2 mm -111.9 101.51 12.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 CA-C-N 116.046 -0.525 . . . . 74.140000000000001 110.198 -178.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.1 p -108.23 118.57 37.11 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 120.803 0.335 . . . . 73.239999999999995 111.411 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.7 p -132.45 123.82 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.32 -0.622 . . . . 71.310000000000002 109.32 174.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.9 p30 43.59 -78.62 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.734 1.214 . . . . 64.340000000000003 113.759 -169.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -126.07 -18.27 5.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.314 0.578 . . . . 74.530000000000001 110.62 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.482 ' HB3' ' HE1' ' A' ' 95' ' ' TRP . 18.7 m -80.09 117.17 20.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.45 -0.795 . . . . 70.299999999999997 110.005 -177.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.492 HG23 ' OD1' ' A' ' 87' ' ' ASP . 9.8 p -124.05 121.9 63.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.416 0.627 . . . . 72.109999999999999 110.163 -176.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.715 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 17.6 m95 -118.66 100.97 7.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.102 -0.499 . . . . 73.439999999999998 111.41 -168.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.72 ' HB3' ' HD3' ' A' ' 85' ' ' ARG . 33.4 m-85 -87.75 80.6 7.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.424 -0.353 . . . . 70.319999999999993 111.162 -178.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -89.25 142.83 27.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 75.040000000000006 110.955 -175.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.493 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 0.5 OUTLIER -121.45 155.76 34.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.451 -0.341 . . . . 75.230000000000004 110.675 -178.072 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.482 ' O ' ' HG2' ' A' ' 100' ' ' GLN . . . -79.87 49.5 1.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 75.519999999999996 111.338 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.709 ' HG2' ' H ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER 48.48 -76.98 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.983 1.313 . . . . 75.329999999999998 113.01 -176.063 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.765 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 21.6 t70 -149.34 -55.09 0.02 OUTLIER Pre-proline 0 C--N 1.319 -0.726 0 O-C-N 122.061 -0.4 . . . . 74.230000000000004 111.097 -178.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.765 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 37.3 Cg_exo -62.28 121.04 8.88 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 121.862 1.708 . . . . 63.409999999999997 111.649 175.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.13 99.79 0.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 73.430000000000007 110.831 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.676 ' HB3' HE22 ' A' ' 106' ' ' GLN . 0.1 OUTLIER -168.28 91.08 0.3 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.356 -1.349 . . . . 74.420000000000002 107.356 176.84 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -92.28 -4.13 54.45 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 114.803 -1.089 . . . . 74.420000000000002 111.323 -163.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.676 HE22 ' HB3' ' A' ' 104' ' ' HIS . 5.6 pm0 -62.94 -11.01 15.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.318 -0.855 . . . . 71.109999999999999 110.87 -172.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -53.22 -45.84 68.82 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.277 -0.42 . . . . 71.230000000000004 110.203 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -72.92 -41.3 64.7 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.138 -0.69 . . . . 75.040000000000006 109.138 -176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.8 mm -59.12 -56.67 15.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.218 -0.901 . . . . 74.340000000000003 110.229 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -62.11 -47.88 82.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.564 -0.744 . . . . 74.5 111.103 -176.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.04 -58.47 7.76 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.434 0.635 . . . . 72.549999999999997 110.847 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.449 HD11 HD11 ' A' ' 76' ' ' ILE . 43.7 mt -66.11 -45.53 90.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.825 -0.625 . . . . 71.530000000000001 111.162 -174.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.482 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 4.9 mm-40 -58.05 -39.58 78.82 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.45 0.537 . . . . 73.120000000000005 112.45 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -81.09 -20.33 41.75 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 120.645 -0.422 . . . . 62.420000000000002 111.471 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 22.7 m-70 -101.74 -18.65 15.71 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 114.266 1.21 . . . . 63.149999999999999 114.266 -178.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.567 ' HD2' ' C ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -67.33 160.52 27.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.303 0.573 . . . . 62.439999999999998 112.093 -172.495 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 C--O 1.252 1.193 0 CA-C-N 115.385 -0.825 . . . . 72.209999999999994 110.021 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 120.652 0.263 . . . . 74.230000000000004 110.363 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -94.24 -70.86 0.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.618 -0.512 . . . . 73.010000000000005 109.618 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.14 117.68 22.03 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.271 -0.422 . . . . 72.439999999999998 109.934 174.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 p -132.25 118.43 19.49 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.296 -0.631 . . . . 72.209999999999994 109.296 175.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.33 -177.72 39.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.091 -1.052 . . . . 71.450000000000003 112.493 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.671 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 0.4 OUTLIER -97.91 134.97 34.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.385 0.612 . . . . 63.329999999999998 111.893 -179.531 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.455 HD22 ' HE ' ' A' ' 43' ' ' ARG . 61.4 tp -114.07 116.24 28.84 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.054 -0.975 . . . . 71.439999999999998 109.585 177.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 p -80.3 106.73 12.54 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.235 -0.439 . . . . 71.129999999999995 111.044 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.602 ' HE2' ' CD1' ' A' ' 96' ' ' TYR . 6.1 tmtm? -159.24 159.19 33.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.48 -0.327 . . . . 74.25 110.244 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.505 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 2.2 t90 -52.76 127.69 24.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.857 -0.61 . . . . 75.109999999999999 111.094 176.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 t -130.33 -12.56 3.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.851 -0.613 . . . . 72.049999999999997 110.305 176.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -145.01 -64.59 0.34 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 64.439999999999998 110.446 -174.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -119.96 153.65 35.64 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.543 -0.54 . . . . 63.520000000000003 109.543 177.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.9 tp -59.56 -42.11 87.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 N-CA-C 111.82 0.304 . . . . 75.450000000000003 111.82 -176.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -96.64 14.32 25.27 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.324 0.583 . . . . 74.209999999999994 110.252 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.65 47.33 1.04 Allowed Glycine 0 N--CA 1.441 -1.029 0 CA-C-N 115.152 -0.931 . . . . 43.140000000000001 110.883 178.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -70.06 140.6 52.81 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.181 0.515 . . . . 75.540000000000006 110.059 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -123.38 164.39 18.95 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.948 -0.569 . . . . 74.319999999999993 110.939 -175.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.671 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 12.4 p-10 -92.24 95.88 9.97 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.046 -0.979 . . . . 75.040000000000006 109.249 175.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.496 ' HD2' ' CD2' ' A' ' 54' ' ' TYR . 33.0 ptt180 -89.94 152.34 21.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.323 -0.853 . . . . 71.129999999999995 109.786 -175.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -92.43 113.44 25.72 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.188 -0.605 . . . . 74.109999999999999 110.328 -173.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 29.0 m -109.71 140.37 28.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.232 0.539 . . . . 72.430000000000007 110.674 -177.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.454 ' O ' HD12 ' A' ' 52' ' ' LEU . 40.1 t -133.54 123.38 46.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.043 -0.98 . . . . 44.219999999999999 111.086 -176.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.2 tt -108.8 119.03 38.33 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.361 -0.977 . . . . 64.010000000000005 108.361 173.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -160.48 157.37 27.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.99 -0.096 . . . . 64.319999999999993 110.899 -175.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.611 ' O ' ' HB3' ' A' ' 115' ' ' HIS . 88.9 m-20 65.94 -78.77 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.238 0.615 . . . . 74.409999999999997 110.979 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.469 ' OD1' ' HA ' ' A' ' 116' ' ' LYS . 3.7 t-20 -174.73 33.4 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.223 -1.769 . . . . 74.209999999999994 106.223 171.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.09 150.31 46.75 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 113.811 -1.54 . . . . 55.240000000000002 110.295 -176.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' A' ' 68' ' ' SER . 56.9 tp -116.65 131.16 57.02 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.669 -0.696 . . . . 70.430000000000007 109.148 176.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.0 m -137.39 159.45 41.89 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.745 -0.465 . . . . 61.5 109.745 -177.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.623 ' HB3' ' HZ3' ' A' ' 95' ' ' TRP . 1.5 p90 -143.83 154.96 43.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.315 0.579 . . . . 74.310000000000002 110.701 176.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.424 ' CD2' ' HB3' ' A' ' 60' ' ' GLU . 11.6 m-85 -130.17 165.52 22.16 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.249 -0.887 . . . . 73.439999999999998 109.213 -176.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.79 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . 8.5 mmpt? -59.2 -35.34 73.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.268 -0.424 . . . . 72.319999999999993 111.349 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.664 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 11.0 t -163.95 -161.86 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.448 -0.575 . . . . 71.030000000000001 109.448 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 43.4 tt0 -72.16 -29.63 64.2 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 122.713 0.405 . . . . 63.020000000000003 111.545 -170.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -77.14 52.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.735 0.778 . . . . 74.450000000000003 109.781 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.424 ' HB3' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -44.07 -38.82 3.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.456 -1.247 . . . . 72.310000000000002 114.304 -179.275 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.0 t -66.71 -30.46 70.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.82 0.343 . . . . 72.140000000000001 111.564 -177.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -85.7 -32.13 22.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.349 0.595 . . . . 73.129999999999995 110.184 178.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.664 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 29.1 m-85 -87.18 -28.93 22.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.462 -0.79 . . . . 70.239999999999995 112.073 -172.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.26 153.23 8.62 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.043 -0.598 . . . . 74.109999999999999 112.411 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.5 p -69.09 101.03 1.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.464 0.649 . . . . 72.450000000000003 110.066 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.511 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 5.2 mmm180 -71.84 -30.56 65.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.317 -0.856 . . . . 74.450000000000003 110.649 -174.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -150.4 150.37 22.38 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.305 -1.118 . . . . 62.310000000000002 110.305 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 12.2 p -164.73 125.14 2.0 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.847 0.324 . . . . 74.329999999999998 110.947 -176.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 34.2 pt -128.47 155.87 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.947 0.404 . . . . 72.109999999999999 111.281 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 57.4 m -89.89 126.38 35.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.741 -0.663 . . . . 65.129999999999995 110.488 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.885 HD12 HG12 ' A' ' 112' ' ' ILE . 92.6 mt -82.18 46.7 1.05 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.799 -0.637 . . . . 74.540000000000006 111.464 -176.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.2 t -109.77 -37.73 5.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.299 0.571 . . . . 45.530000000000001 110.096 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -123.72 18.66 9.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.601 -0.727 . . . . 75.329999999999998 109.545 -179.435 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.26 109.05 20.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.246 -0.888 . . . . 71.120000000000005 109.68 178.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t -82.98 135.47 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.0 0.429 . . . . 74.140000000000001 111.14 -175.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.675 HD11 HD12 ' A' ' 112' ' ' ILE . 41.7 mt -87.04 99.77 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.692 -0.686 . . . . 74.519999999999996 109.832 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.6 m -105.61 118.96 54.17 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.275 -0.42 . . . . 74.310000000000002 110.992 -177.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.2 129.41 31.48 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.343 2.029 . . . . 60.420000000000002 111.464 176.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.481 ' HB2' ' HG2' ' A' ' 85' ' ' ARG . 13.1 t60 -70.14 147.58 49.74 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.989 -0.374 . . . . 74.439999999999998 109.989 -176.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -70.24 -55.99 7.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.207 -0.452 . . . . 74.299999999999997 111.793 -173.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -90.01 -6.29 55.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.43 0.633 . . . . 75.329999999999998 110.803 -175.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.635 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . 4.8 m-20 -125.76 112.78 16.46 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.711 -0.677 . . . . 74.219999999999999 110.288 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -75.4 -41.14 56.87 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.199 0.523 . . . . 65.230000000000004 110.734 -176.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 69.4 m -82.74 -4.23 57.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.91 -0.586 . . . . 74.420000000000002 110.804 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.638 ' HG3' ' O ' ' A' ' 97' ' ' LEU . 21.0 ttm180 -99.22 143.11 29.85 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.487 0.661 . . . . 75.099999999999994 110.697 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -134.59 123.37 23.72 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.663 -1.153 . . . . 75.340000000000003 110.213 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.425 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 45.8 m-20 -87.05 107.43 18.43 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.002 -0.999 . . . . 74.439999999999998 109.788 -178.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.864 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 34.0 mm -79.15 98.0 2.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.095 -0.706 . . . . 74.530000000000001 109.095 176.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.8 p -104.53 106.44 16.93 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-O 121.526 0.679 . . . . 74.129999999999995 112.177 -171.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.672 HG23 ' H ' ' A' ' 91' ' ' ASN . 5.2 p -104.29 -173.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 106.998 -1.482 . . . . 75.349999999999994 106.998 169.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.672 ' H ' HG23 ' A' ' 90' ' ' VAL . 5.0 m-80 -53.05 103.04 0.06 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.393 0.542 . . . . 73.409999999999997 111.09 -178.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.6 t70 75.03 -25.32 0.2 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.903 0.881 . . . . 73.209999999999994 112.883 174.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.559 ' HB2' HG11 ' A' ' 90' ' ' VAL . 20.2 m -96.07 110.02 22.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.934 0.397 . . . . 74.340000000000003 111.026 -176.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.425 ' CG1' ' HB3' ' A' ' 87' ' ' ASP . 45.3 t -106.64 122.63 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.138 0.494 . . . . 72.099999999999994 110.156 177.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.864 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 29.8 m95 -104.22 98.04 7.91 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.003 -0.544 . . . . 72.540000000000006 110.592 -178.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.602 ' CD1' ' HE2' ' A' ' 32' ' ' LYS . 1.8 m-85 -74.18 75.93 1.79 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.819 -0.628 . . . . 71.239999999999995 110.216 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.638 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 15.9 tp -89.1 166.93 13.54 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.429 -0.952 . . . . 72.540000000000006 108.429 -176.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.496 ' HA ' ' HA ' ' A' ' 85' ' ' ARG . 6.2 ttm180 -152.91 145.71 24.39 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.8 -0.76 . . . . 70.25 110.938 -176.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -79.1 128.84 33.79 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.971 -0.752 . . . . 75.310000000000002 108.971 172.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.493 ' CD ' ' H ' ' A' ' 100' ' ' GLN . 0.4 OUTLIER -53.07 -68.25 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 123.734 0.646 . . . . 74.040000000000006 112.54 -175.848 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.784 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 28.0 t70 -163.15 -58.51 0.01 OUTLIER Pre-proline 0 N--CA 1.465 0.314 0 N-CA-C 111.915 0.339 . . . . 74.409999999999997 111.915 179.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.784 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 12.6 Cg_exo -71.31 -44.1 1.26 Allowed 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 122.01 1.806 . . . . 51.219999999999999 111.551 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.415 ' HB3' ' CG ' ' A' ' 107' ' ' GLN . 0.8 OUTLIER -76.45 158.92 30.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.444 -0.798 . . . . 73.310000000000002 109.484 179.469 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -139.58 -163.81 1.56 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.719 -0.219 . . . . 72.209999999999994 110.951 -177.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -43.96 -43.8 6.8 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.958 0.903 . . . . 74.530000000000001 112.594 -176.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -55.56 -23.98 29.95 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.191 0.812 . . . . 64.540000000000006 113.191 -171.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.415 ' CG ' ' HB3' ' A' ' 103' ' ' ASP . 28.3 mm-40 -58.04 -47.43 83.12 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.288 0.566 . . . . 72.420000000000002 110.184 177.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -76.43 -41.17 48.52 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 115.271 -0.877 . . . . 73.420000000000002 109.56 -174.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.9 mm -57.7 -56.7 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-N 115.114 -0.948 . . . . 73.299999999999997 109.578 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -55.38 -50.76 68.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.947 -0.569 . . . . 75.099999999999994 111.084 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.09 -60.74 2.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.416 0.626 . . . . 72.209999999999994 111.521 -178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.885 HG12 HD12 ' A' ' 71' ' ' LEU . 20.0 mt -69.31 -44.92 80.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.091 -0.504 . . . . 70.230000000000004 111.187 -174.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.575 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 5.6 mm-40 -61.43 -29.75 70.14 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.779 0.323 . . . . 72.200000000000003 111.774 -178.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -85.09 -29.08 25.17 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.761 -0.376 . . . . 73.540000000000006 110.802 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.611 ' HB3' ' O ' ' A' ' 49' ' ' ASN . 8.0 m-70 -93.63 -23.24 18.34 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 114.801 1.408 . . . . 74.430000000000007 114.801 -174.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.575 ' HE2' ' O ' ' A' ' 113' ' ' GLU . 0.0 OUTLIER -67.97 157.9 34.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.135 0.493 . . . . 65.219999999999999 111.768 -174.805 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.1 p . . . . . 0 C--O 1.247 0.922 0 CA-C-N 115.505 -0.77 . . . . 62.140000000000001 110.326 -177.754 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 121.33 0.586 . . . . 64.209999999999994 111.364 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.69 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 1.7 pm0 -82.2 127.37 33.1 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 114.916 -1.038 . . . . 74.120000000000005 110.743 172.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.528 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 1.4 tpm_? -94.76 111.14 22.94 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.899 -1.046 . . . . 71.519999999999996 108.535 174.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.51 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 15.1 p -120.74 108.05 13.51 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 109.4 -0.593 . . . . 74.519999999999996 109.4 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.82 165.92 35.34 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 119.92 -1.133 . . . . 74.230000000000004 112.839 -176.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.608 HG12 ' HE3' ' A' ' 44' ' ' TRP . 1.3 m -91.77 133.47 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.517 0.675 . . . . 72.120000000000005 111.34 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.433 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 56.8 tp -109.67 118.16 35.81 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.812 -1.086 . . . . 72.049999999999997 109.296 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.7 p -81.36 107.09 13.85 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.212 0.53 . . . . 74.439999999999998 110.542 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -144.36 144.79 31.61 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.109 -0.701 . . . . 73.239999999999995 109.109 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 1.065 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 29.9 p90 -69.48 149.76 47.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.986 0.422 . . . . 74.420000000000002 111.437 -174.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.547 ' HB ' ' NE2' ' A' ' 41' ' ' GLN . 5.5 t -128.18 -22.38 3.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.783 -0.644 . . . . 73.530000000000001 110.59 178.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -115.83 -83.95 0.62 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.96 0.41 . . . . 72.299999999999997 110.296 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 33' ' ' TRP . 7.4 t80 -105.34 176.96 4.99 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.096 -0.705 . . . . 74.439999999999998 109.096 178.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 67.1 mt -51.47 -49.34 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 112.101 0.408 . . . . 75.299999999999997 112.101 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -94.45 12.68 26.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.287 0.565 . . . . 70.150000000000006 110.403 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -97.02 58.85 1.19 Allowed Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.931 -0.868 . . . . 53.530000000000001 110.931 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 1.065 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 61.5 p-90 -91.9 155.21 18.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.881 0.372 . . . . 74.329999999999998 110.958 -177.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.547 ' NE2' ' HB ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -127.96 169.42 14.01 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.318 -0.623 . . . . 74.430000000000007 109.318 176.094 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.514 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 10.8 p-10 -103.26 98.68 8.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.614 -0.721 . . . . 62.509999999999998 109.992 178.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.587 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 13.3 ptp180 -90.85 139.76 30.44 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.557 -0.747 . . . . 71.219999999999999 110.4 -176.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.608 ' HE3' HG12 ' A' ' 29' ' ' VAL . 69.6 t-105 -92.5 112.27 24.15 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 120.33 -0.548 . . . . 70.219999999999999 110.498 -175.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 21.4 m -106.3 143.03 17.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.995 0.426 . . . . 70.150000000000006 110.509 -176.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.555 ' O ' HD13 ' A' ' 52' ' ' LEU . 84.8 t -129.96 116.82 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.975 -1.011 . . . . 75.409999999999997 110.454 -178.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.69 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 3.5 tm? -117.81 113.13 21.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.061 -0.518 . . . . 73.409999999999997 110.156 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.596 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 13.6 tptm -174.82 154.21 1.87 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.169 -0.678 . . . . 62.100000000000001 109.169 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 67.84 21.35 9.1 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.007 0.432 . . . . 73.230000000000004 110.444 176.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 69.27 14.29 8.57 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.146 -0.934 . . . . 71.099999999999994 110.237 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.55 155.49 30.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.981 -0.554 . . . . 72.340000000000003 110.243 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 46' ' ' VAL . 60.5 tp -138.28 134.47 34.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.831 -0.622 . . . . 74.299999999999997 109.558 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.7 m -148.01 152.27 37.15 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.444 -0.344 . . . . 74.099999999999994 110.11 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.587 ' HD2' ' HB2' ' A' ' 43' ' ' ARG . 2.6 p90 -135.36 153.69 51.75 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.263 -0.575 . . . . 74.299999999999997 111.782 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -128.55 178.05 6.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.152 -0.931 . . . . 74.230000000000004 109.973 -175.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.687 ' HE2' HH21 ' A' ' 66' ' ' ARG . 89.1 mttt -53.06 -50.79 63.63 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.456 0.472 . . . . 71.420000000000002 110.59 175.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 t -167.17 -165.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.296 -0.631 . . . . 74.329999999999998 109.296 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.457 ' C ' ' H ' ' A' ' 60' ' ' GLU . 35.5 tt0 -62.34 -31.16 71.75 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 122.992 0.517 . . . . 71.450000000000003 112.388 -170.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.27 44.66 0.43 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.849 0.833 . . . . 61.420000000000002 110.088 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.55 ' HA ' ' HB2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -56.19 -20.64 18.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.688 -1.142 . . . . 75.430000000000007 113.041 -177.355 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 t -53.11 -38.96 63.07 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.429 0.456 . . . . 75.430000000000007 112.055 -174.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -114.71 6.11 15.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 70.549999999999997 111.142 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CD2' ' HB2' ' A' ' 56' ' ' LYS . 15.1 m-30 -92.05 -37.28 12.89 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.924 -0.311 . . . . 74.319999999999993 111.431 -175.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.04 159.5 22.56 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.426 -0.892 . . . . 72.120000000000005 111.743 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.8 p -81.97 133.36 35.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.319 0.58 . . . . 73.510000000000005 111.285 -176.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.687 HH21 ' HE2' ' A' ' 56' ' ' LYS . 19.3 mmt85 -90.64 -29.23 17.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.507 -0.769 . . . . 73.430000000000007 110.482 178.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -157.43 147.55 15.86 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.614 -0.721 . . . . 72.040000000000006 111.466 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.8 p -148.03 132.44 17.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.613 0.244 . . . . 73.540000000000006 110.786 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.507 HD11 HD21 ' A' ' 52' ' ' LEU . 40.1 pt -137.76 167.21 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.049 0.452 . . . . 74.129999999999995 111.279 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 59.0 m -115.75 130.93 57.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.558 -0.746 . . . . 74.230000000000004 109.756 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.593 ' HB3' HG23 ' A' ' 112' ' ' ILE . 4.1 mm? -84.22 18.66 2.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.363 -0.381 . . . . 74.510000000000005 111.231 -175.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.2 m -84.43 -16.46 42.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.371 -0.377 . . . . 74.450000000000003 110.923 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.22 4.31 1.61 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.874 0.368 . . . . 74.420000000000002 111.586 178.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.645 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -74.2 139.56 44.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.318 -0.401 . . . . 65.430000000000007 111.144 178.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.7 t -97.15 115.22 36.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.199 -0.455 . . . . 72.409999999999997 110.612 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.424 HG23 ' HD2' ' A' ' 86' ' ' PHE . 41.8 mt -72.55 110.66 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 73.439999999999998 109.766 176.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.8 m -106.75 111.8 63.73 Favored Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 120.869 -0.332 . . . . 75.510000000000005 111.274 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.3 113.12 2.12 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.133 1.889 . . . . 74.310000000000002 109.814 171.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.91 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 6.9 t60 -63.08 137.52 58.27 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.681 -0.407 . . . . 71.310000000000002 109.949 -175.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -63.64 -45.08 91.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.139 -0.482 . . . . 74.420000000000002 111.384 -169.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -81.81 -18.45 43.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.074 -0.512 . . . . 73.400000000000006 111.08 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.91 ' HB2' ' HB3' ' A' ' 79' ' ' HIS . 3.1 m-20 -114.2 115.12 26.96 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.783 0.661 . . . . 64.120000000000005 112.783 -166.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -80.84 -23.76 38.9 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.583 -0.735 . . . . 64.510000000000005 110.264 174.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.753 ' SG ' ' HA ' ' A' ' 102' ' ' PRO . 71.5 m -96.49 -6.25 37.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.036 -0.529 . . . . 71.319999999999993 111.084 -178.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.809 ' HD2' ' HB3' ' A' ' 96' ' ' TYR . 13.0 ttp180 -115.8 134.89 54.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.84 0.829 . . . . 74.409999999999997 112.275 -174.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.424 ' HD2' HG23 ' A' ' 76' ' ' ILE . 30.1 m-85 -129.94 116.69 18.99 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.157 -1.383 . . . . 74.530000000000001 108.831 176.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.553 ' HA ' ' O ' ' A' ' 95' ' ' TRP . 2.8 p-10 -91.71 113.32 25.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.034 0.921 . . . . 65.430000000000007 111.006 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.552 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 31.0 mm -83.17 102.33 9.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 114.533 -1.212 . . . . 74.530000000000001 109.878 -179.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.0 t -100.21 117.19 33.92 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.99 0.424 . . . . 71.430000000000007 110.728 -176.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.741 HG23 HD21 ' A' ' 91' ' ' ASN . 11.0 p -150.82 130.1 3.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.886 -0.597 . . . . 74.409999999999997 110.015 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.741 HD21 HG23 ' A' ' 90' ' ' VAL . 39.3 m-80 56.72 31.02 18.61 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.387 0.514 . . . . 64.129999999999995 112.387 177.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.4 t70 72.19 19.36 4.51 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.858 0.837 . . . . 71.409999999999997 111.194 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.4 m -110.56 101.01 9.72 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.067 -0.716 . . . . 73.109999999999999 109.067 171.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.422 ' CG1' ' HB2' ' A' ' 87' ' ' ASP . 38.7 t -96.47 116.38 38.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.131 -0.486 . . . . 63.210000000000001 110.355 -178.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.58 ' CZ3' ' HB3' ' A' ' 54' ' ' TYR . 28.1 m95 -104.57 98.66 8.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.133 -0.485 . . . . 74.519999999999996 111.036 -175.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.809 ' HB3' ' HD2' ' A' ' 85' ' ' ARG . 57.1 m-85 -75.82 78.25 2.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.29 -0.414 . . . . 73.120000000000005 110.965 -178.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 85' ' ' ARG . 86.9 mt -80.14 145.04 32.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.304 -0.258 . . . . 73.349999999999994 110.304 -177.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.705 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 5.7 mtm180 -131.17 145.56 52.0 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.306 -0.257 . . . . 65.129999999999995 110.306 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.04 172.7 12.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.03 -0.532 . . . . 74.450000000000003 110.646 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -86.59 -5.98 59.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.082 0.468 . . . . 74.099999999999994 111.095 -176.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.853 ' HB2' ' HD2' ' A' ' 102' ' ' PRO . 6.2 p-10 -154.91 176.62 2.41 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.07 -0.514 . . . . 74.439999999999998 109.78 -175.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.853 ' HD2' ' HB2' ' A' ' 101' ' ' ASP . 39.6 Cg_endo -68.07 21.4 0.13 Allowed 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.702 2.268 . . . . 64.109999999999999 114.038 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.558 ' CG ' ' H ' ' A' ' 104' ' ' HIS . 47.1 t0 -165.75 -164.78 0.75 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.901 -0.778 . . . . 74.230000000000004 108.901 176.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.573 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 68.7 m80 68.74 25.0 6.47 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 123.011 0.524 . . . . 64.200000000000003 110.541 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -19.72 62.48 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.564 0.697 . . . . 75.549999999999997 109.693 175.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -54.16 -17.1 2.46 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 114.935 -1.029 . . . . 75.329999999999998 112.212 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 16.5 mm100 -53.25 -45.42 68.79 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 110.247 -0.279 . . . . 73.329999999999998 110.247 177.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.522 ' HZ3' ' HG2' ' A' ' 26' ' ' ARG . 14.1 m95 -70.07 -41.81 73.63 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.501 -0.555 . . . . 73.340000000000003 109.501 -175.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.2 mm -60.74 -60.99 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.112 -0.949 . . . . 70.239999999999995 110.245 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.81 -42.25 88.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.922 -0.581 . . . . 63.310000000000002 111.361 -176.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.65 -57.68 11.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.063 0.458 . . . . 71.230000000000004 110.878 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.593 HG23 ' HB3' ' A' ' 71' ' ' LEU . 56.9 mt -66.42 -44.09 90.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.34 -0.391 . . . . 75.019999999999996 110.299 -175.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.06 -42.14 76.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.026 0.441 . . . . 71.010000000000005 111.803 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -83.43 -21.67 32.89 Favored 'General case' 0 C--N 1.314 -0.961 0 C-N-CA 120.855 -0.338 . . . . 71.219999999999999 111.636 -177.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -94.36 -27.74 15.91 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.381 0.882 . . . . 72.340000000000003 113.381 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.49 151.03 33.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.235 0.54 . . . . 73.420000000000002 111.224 -175.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 35.8 p . . . . . 0 C--O 1.249 1.075 0 CA-C-N 115.326 -0.852 . . . . 74.129999999999995 110.339 -176.09 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.9 t . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 109.748 -0.464 . . . . 61.409999999999997 109.748 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.37 -58.34 3.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.197 0.522 . . . . 75.409999999999997 109.785 -176.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.689 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 8.6 tpm_? -136.46 120.82 18.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.007 -0.542 . . . . 73.129999999999995 110.861 174.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.488 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 7.2 p -126.38 120.73 30.59 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.558 -0.746 . . . . 71.540000000000006 109.107 170.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.49 171.06 41.98 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.488 -0.863 . . . . 51.329999999999998 111.959 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.02 152.64 3.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.32 0.581 . . . . 75.140000000000001 111.374 178.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.651 HD11 ' O ' ' A' ' 96' ' ' TYR . 33.7 tp -122.51 109.94 14.97 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 114.934 -1.03 . . . . 71.319999999999993 109.658 178.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 m -80.74 108.91 14.79 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.756 -0.656 . . . . 75.349999999999994 110.191 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.502 ' HE3' ' CZ3' ' A' ' 33' ' ' TRP . 34.1 tptt -170.51 170.42 6.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.564 -0.532 . . . . 71.219999999999999 109.564 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.576 ' HB3' ' HD1' ' A' ' 40' ' ' TRP . 7.9 p90 -68.87 138.4 54.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.124 0.488 . . . . 72.340000000000003 111.16 -177.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 t -121.82 -15.65 7.83 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.279 -1.008 . . . . 73.439999999999998 108.279 169.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.786 ' HB2' ' HB2' ' A' ' 38' ' ' HIS . 15.7 m120 -149.85 -167.09 2.73 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.488 -1.233 . . . . 74.519999999999996 108.115 177.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -115.26 -58.15 2.17 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.871 -0.331 . . . . 73.519999999999996 110.671 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 51.6 mt -70.0 -27.0 31.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.44 0.638 . . . . 72.209999999999994 109.746 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.786 ' HB2' ' HB2' ' A' ' 35' ' ' ASN . 55.7 m-70 -76.34 -26.24 55.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.564 -0.744 . . . . 64.439999999999998 109.723 176.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.28 -157.57 30.58 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.729 -0.669 . . . . 61.329999999999998 113.019 177.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.576 ' HD1' ' HB3' ' A' ' 33' ' ' TRP . 2.7 m-90 -89.12 124.46 34.34 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.384 -0.598 . . . . 74.120000000000005 109.384 178.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -107.88 156.71 18.88 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.858 0.361 . . . . 75.129999999999995 110.804 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -95.21 97.26 9.76 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.491 -0.929 . . . . 61.439999999999998 108.491 171.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.788 ' HD2' ' CE2' ' A' ' 54' ' ' TYR . 20.3 ptt180 -101.45 151.03 22.43 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.01 -0.541 . . . . 74.409999999999997 110.384 -174.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.773 ' HB2' ' HA ' ' A' ' 58' ' ' GLU . 63.2 t-105 -85.42 130.89 34.48 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.483 -0.487 . . . . 75.400000000000006 110.489 -169.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.64 HG23 ' HB2' ' A' ' 54' ' ' TYR . 60.8 t -127.81 130.64 70.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.155 0.503 . . . . 75.209999999999994 110.919 -177.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.453 ' O ' HD13 ' A' ' 52' ' ' LEU . 25.4 t -126.06 128.85 72.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.399 -0.819 . . . . 73.239999999999995 111.169 -178.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.8 tt -112.14 123.36 50.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.893 -0.78 . . . . 55.340000000000003 108.893 175.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -166.3 140.99 4.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.7 -0.227 . . . . 64.340000000000003 110.893 -176.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 58.92 29.11 18.48 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.24 -0.436 . . . . 74.439999999999998 111.833 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.702 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 3.0 t-20 72.29 4.06 4.88 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.784 -0.644 . . . . 70.409999999999997 110.65 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -107.8 140.23 41.19 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.961 -0.563 . . . . 73.340000000000003 109.619 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.707 ' HB2' HD21 ' A' ' 71' ' ' LEU . 29.5 tp -111.81 132.71 54.5 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.882 -0.785 . . . . 74.530000000000001 108.882 177.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.543 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 30.3 m -140.7 136.13 32.29 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.841 -0.429 . . . . 72.530000000000001 109.841 -177.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.788 ' CE2' ' HD2' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -130.38 157.53 42.34 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.438 -0.505 . . . . 75.299999999999997 110.901 -177.777 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.518 ' CD1' ' HD1' ' A' ' 44' ' ' TRP . 3.7 m-85 -129.48 154.76 46.68 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.325 -0.991 . . . . 73.530000000000001 108.325 -174.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -36.47 55.27 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.451 0.538 . . . . 74.340000000000003 112.451 -174.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.465 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 33.4 t -146.92 166.62 26.22 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.406 -0.59 . . . . 55.100000000000001 109.406 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.773 ' HA ' ' HB2' ' A' ' 44' ' ' TRP . 34.7 tt0 -58.86 -25.29 63.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.134 0.492 . . . . 74.439999999999998 111.363 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.715 ' HB2' ' HE2' ' A' ' 63' ' ' TYR . 2.2 m-20 -58.07 -26.71 62.88 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.777 -0.647 . . . . 65.349999999999994 110.673 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 48.77 -53.48 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 116.671 2.101 . . . . 74.219999999999999 116.671 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.499 HG21 ' H ' ' A' ' 62' ' ' GLU . 3.8 t -40.79 -62.29 0.82 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.145 1.165 . . . . 73.230000000000004 114.145 -170.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.499 ' H ' HG21 ' A' ' 61' ' ' THR . 9.2 pt-20 -90.54 5.39 47.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.071 0.462 . . . . 64.319999999999993 111.522 -173.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.715 ' HE2' ' HB2' ' A' ' 59' ' ' ASP . 61.3 m-85 -98.67 -28.85 13.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.283 -0.417 . . . . 72.150000000000006 110.497 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.25 165.23 7.82 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.947 -0.644 . . . . 62.119999999999997 112.915 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 p -73.56 91.33 1.82 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.794 0.807 . . . . 55.420000000000002 110.798 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -69.02 -46.09 68.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.85 -1.068 . . . . 75.530000000000001 110.082 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.543 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -112.0 141.22 16.59 Favored Glycine 0 N--CA 1.439 -1.134 0 CA-C-N 115.124 -0.943 . . . . 74.510000000000005 111.09 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 2.8 p -152.13 114.23 4.46 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.893 0.378 . . . . 75.340000000000003 110.483 -179.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.561 ' HB ' HG12 ' A' ' 90' ' ' VAL . 36.6 pt -134.33 165.25 32.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.074 -0.512 . . . . 63.229999999999997 110.815 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.8 p -108.97 130.69 55.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.567 -0.742 . . . . 71.430000000000007 109.973 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.707 HD21 ' HB2' ' A' ' 52' ' ' LEU . 3.9 mm? -83.86 9.44 12.07 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.156 -0.474 . . . . 53.340000000000003 110.512 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -62.41 -43.59 98.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.782 -0.645 . . . . 71.200000000000003 111.319 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.49 22.08 4.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.216 0.531 . . . . 61.119999999999997 110.577 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.443 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -74.76 132.12 41.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.719 -0.673 . . . . 51.030000000000001 110.268 174.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.0 t -90.31 124.04 42.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.548 -0.297 . . . . 74.129999999999995 110.647 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 53.7 mt -86.0 95.82 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.189 -0.459 . . . . 74.150000000000006 110.242 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.717 ' HB ' ' HB2' ' A' ' 87' ' ' ASP . 14.7 m -89.35 120.74 69.73 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.148 -0.478 . . . . 74.420000000000002 110.645 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.49 ' HA ' ' CD1' ' A' ' 86' ' ' PHE . 43.9 Cg_endo -70.32 118.91 5.96 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 121.807 1.672 . . . . 73.540000000000006 111.154 174.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.941 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 6.1 t60 -63.34 144.62 56.8 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 120.021 -0.672 . . . . 74.5 110.139 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.76 -69.88 0.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.491 -0.777 . . . . 64.340000000000003 111.763 -170.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -83.35 -16.27 46.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.108 0.48 . . . . 74.200000000000003 110.757 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.941 ' HB2' ' HB3' ' A' ' 79' ' ' HIS . 6.0 m-20 -83.78 149.46 26.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.278 0.561 . . . . 65.340000000000003 111.592 -176.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -118.39 -23.18 7.31 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.186 -0.916 . . . . 65.340000000000003 109.584 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.5 m -100.85 -8.63 22.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.801 -0.636 . . . . 73.310000000000002 110.703 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.459 ' HB3' ' CB ' ' A' ' 82' ' ' ASP . 37.4 ttm180 -103.31 149.3 24.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.364 0.602 . . . . 73.140000000000001 111.82 -174.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.49 ' CD1' ' HA ' ' A' ' 78' ' ' PRO . 0.4 OUTLIER -142.4 123.92 14.9 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.832 -1.077 . . . . 74.409999999999997 108.964 178.257 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.717 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 1.9 m-20 -88.55 101.48 13.98 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.904 -0.589 . . . . 71.340000000000003 110.198 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.719 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 35.4 mm -82.3 100.93 6.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.974 -0.557 . . . . 70.450000000000003 110.131 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.0 p -105.75 112.5 25.59 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.323 0.583 . . . . 74.019999999999996 111.741 -173.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.561 HG12 ' HB ' ' A' ' 69' ' ' ILE . 13.7 p -143.64 129.63 16.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.88 -0.6 . . . . 74.209999999999994 110.403 178.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.495 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 67.1 m-80 53.96 40.2 31.33 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.455 -0.339 . . . . 74.239999999999995 111.262 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.495 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 21.3 t70 75.88 -11.04 1.18 Allowed 'General case' 0 C--N 1.319 -0.748 0 O-C-N 123.676 0.61 . . . . 71.340000000000003 111.958 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.3 m -85.21 108.89 17.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.964 -0.384 . . . . 74.25 109.964 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 40.6 t -102.81 120.17 52.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.095 0.474 . . . . 73.310000000000002 110.476 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.719 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 25.2 m95 -104.63 110.02 22.16 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.83 -0.623 . . . . 70.439999999999998 110.301 -176.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.651 ' O ' HD11 ' A' ' 30' ' ' LEU . 7.1 m-85 -81.28 71.75 8.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.083 -0.508 . . . . 73.120000000000005 110.297 -177.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.628 HD13 HD12 ' A' ' 30' ' ' LEU . 2.9 mm? -77.93 155.1 31.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.034 0.445 . . . . 53.43 111.475 -174.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -134.52 146.95 50.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.007 -0.542 . . . . 72.030000000000001 110.005 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.62 163.21 12.75 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.228 -0.442 . . . . 63.340000000000003 109.916 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.49 ' H ' ' NE2' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -79.72 -9.13 59.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.346 0.593 . . . . 75.010000000000005 109.541 179.76 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.549 ' HB3' ' HB2' ' A' ' 104' ' ' HIS . 20.0 t70 -138.29 136.48 19.34 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.031 -0.986 . . . . 74.230000000000004 109.759 -175.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -24.66 29.29 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 54.039999999999999 113.218 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -95.11 -35.49 11.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.81 0.338 . . . . 74.439999999999998 111.113 -176.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.549 ' HB2' ' HB3' ' A' ' 101' ' ' ASP . 58.0 m80 -76.78 77.35 3.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.433 0.635 . . . . 74.099999999999994 110.782 -178.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.479 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . 14.0 mmm180 -83.24 -21.94 33.22 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 107.499 -1.297 . . . . 70.329999999999998 107.499 173.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -68.7 -6.4 26.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 113.247 -1.797 . . . . 53.509999999999998 112.417 -168.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -49.86 -54.92 16.47 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 108.385 -0.969 . . . . 73.120000000000005 108.385 168.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.689 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 22.2 m95 -76.33 -45.16 33.52 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.43 -1.259 . . . . 75.299999999999997 109.544 -172.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 27.9 mm -56.09 -56.24 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.445 -0.798 . . . . 72.150000000000006 110.285 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.53 -52.09 66.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.998 -0.546 . . . . 72.319999999999993 111.068 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.77 -54.91 31.51 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.483 0.659 . . . . 71.340000000000003 111.384 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.672 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 60.3 mt -66.92 -51.83 50.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.924 -0.58 . . . . 74.219999999999999 111.447 -175.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.585 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 75.1 mm-40 -59.03 -30.3 67.92 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.617 0.246 . . . . 73.519999999999996 111.543 -176.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -81.37 -29.93 33.88 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.75 -0.38 . . . . 70.549999999999997 111.438 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.702 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 22.6 m-70 -94.6 -16.06 23.53 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 115.477 1.658 . . . . 74.219999999999999 115.477 -174.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.672 ' HG3' ' O ' ' A' ' 112' ' ' ILE . 30.0 mtmt -44.05 126.11 4.75 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.341 0.867 . . . . 63.530000000000001 113.341 -171.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.232 -0.895 . . . . 73.019999999999996 110.295 -179.76 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.623 0.249 . . . . 74.230000000000004 110.425 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.801 ' HG2' ' HA ' ' A' ' 48' ' ' LYS . 4.0 mm-40 -95.55 -55.08 3.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.071 0.462 . . . . 75.230000000000004 110.111 -177.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.547 ' HD3' ' CH2' ' A' ' 108' ' ' TRP . 2.3 tpt180 -121.94 137.6 54.73 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.86 -0.609 . . . . 72.140000000000001 110.075 178.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.8 p -147.18 109.2 4.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.82 -0.437 . . . . 75.420000000000002 109.82 174.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -169.42 172.59 43.57 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.413 -0.898 . . . . 62.109999999999999 112.305 -178.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.535 HG12 ' HE3' ' A' ' 44' ' ' TRP . 1.1 m -89.74 150.41 3.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.461 0.648 . . . . 63.439999999999998 112.011 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.6 tp -125.48 123.06 38.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.016 -0.993 . . . . 64.310000000000002 109.514 176.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.8 m -87.64 105.25 17.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.02 0.438 . . . . 62.329999999999998 110.564 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -131.71 125.24 31.55 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.955 -0.566 . . . . 62.439999999999998 109.6 178.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 1.028 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 7.8 p90 -69.99 147.79 49.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.843 0.354 . . . . 72.409999999999997 110.309 -178.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -144.14 -169.87 3.22 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.297 -0.631 . . . . 62.509999999999998 109.297 -176.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -101.7 91.23 4.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.517 0.675 . . . . 75.349999999999994 109.903 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -169.2 147.88 3.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.673 -1.149 . . . . 64.409999999999997 108.304 -173.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.1 mt -70.45 82.68 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.769 0.795 . . . . 74.109999999999999 110.473 178.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -179.12 -20.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.259 -1.337 . . . . 55.420000000000002 108.542 178.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.66 -96.46 2.21 Favored Glycine 0 C--N 1.334 0.459 0 CA-C-N 115.561 -0.745 . . . . 54.439999999999998 111.535 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 1.028 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 28.3 p90 -86.8 154.63 20.76 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.377 -0.601 . . . . 75.319999999999993 109.377 176.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.412 HE21 ' HB2' ' A' ' 41' ' ' GLN . 2.8 pt20 -123.59 146.41 48.18 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.415 -0.587 . . . . 71.310000000000002 109.415 172.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -103.54 110.82 23.01 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.565 -0.743 . . . . 72.120000000000005 109.542 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -108.41 146.93 32.33 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.255 -0.884 . . . . 55.109999999999999 109.865 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.535 ' HE3' HG12 ' A' ' 29' ' ' VAL . 69.5 t-105 -93.98 113.1 25.03 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.681 -0.407 . . . . 74.450000000000003 109.983 -176.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.2 m -105.08 140.5 22.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.461 0.648 . . . . 74.219999999999999 110.654 -176.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.508 HG12 ' HD2' ' A' ' 48' ' ' LYS . 25.2 t -132.37 117.87 33.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.976 -1.011 . . . . 62.340000000000003 110.576 -178.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.541 ' HB3' ' HB3' ' A' ' 26' ' ' ARG . 3.2 tm? -103.31 127.36 50.67 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.297 -1.001 . . . . 71.209999999999994 108.297 177.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.801 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -171.06 162.02 6.99 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 109.81 -0.441 . . . . 63.130000000000003 109.81 177.038 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 53.15 -148.23 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.121 -1.437 . . . . 74.120000000000005 107.121 -168.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -98.68 34.04 2.14 Favored 'General case' 0 C--N 1.307 -1.251 0 C-N-CA 119.651 -0.82 . . . . 41.219999999999999 109.135 171.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.83 154.39 49.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.468 0.651 . . . . 71.430000000000007 111.855 -175.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.452 HD12 HD23 ' A' ' 47' ' ' LEU . 61.9 tp -127.05 132.99 50.56 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.554 -0.748 . . . . 74.120000000000005 109.278 176.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.511 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 5.0 m -131.64 163.35 28.3 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.178 -0.465 . . . . 72.420000000000002 109.904 -176.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.443 ' HD1' ' CH2' ' A' ' 95' ' ' TRP . 2.7 p90 -147.65 155.9 42.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.034 0.445 . . . . 74.439999999999998 110.213 172.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -131.9 168.96 16.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.407 -0.815 . . . . 75.219999999999999 108.935 -174.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -62.87 -41.84 99.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.491 -0.322 . . . . 73.409999999999997 111.188 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.579 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 23.8 m -152.51 178.15 9.88 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.919 -0.4 . . . . 55.039999999999999 109.919 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.98 -27.85 69.41 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.432 0.53 . . . . 74.219999999999999 112.432 -173.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.607 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 30.1 t70 -53.02 -34.97 58.8 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 110.46 -0.2 . . . . 75.239999999999995 110.46 178.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? 50.48 -42.95 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 116.933 2.197 . . . . 73.530000000000001 116.933 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 t -54.96 -52.12 64.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.855 0.752 . . . . 75.129999999999995 112.616 -173.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.47 ' HG2' ' OD2' ' A' ' 59' ' ' ASP . 7.2 pt-20 -90.3 2.36 55.57 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.429 -0.508 . . . . 72.430000000000007 111.171 -177.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.607 ' CE2' ' HB3' ' A' ' 59' ' ' ASP . 38.4 m-85 -99.22 -30.68 12.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.551 -0.295 . . . . 63.539999999999999 110.697 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.18 155.31 3.96 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.887 -0.597 . . . . 63.340000000000003 112.486 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.6 p -67.69 102.83 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.503 0.668 . . . . 71.230000000000004 110.019 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.433 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 13.8 mmt180 -77.8 -19.48 54.94 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.177 -0.92 . . . . 74.129999999999995 110.769 -175.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.511 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -157.81 129.62 2.38 Favored Glycine 0 N--CA 1.438 -1.169 0 N-CA-C 110.175 -1.17 . . . . 62.32 110.175 175.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 8.3 t -141.6 124.82 16.42 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.679 -0.489 . . . . 73.209999999999994 109.679 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.623 ' HB ' HG13 ' A' ' 90' ' ' VAL . 34.2 pt -127.12 153.89 36.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.115 -0.493 . . . . 72.530000000000001 111.309 -176.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 63.4 m -98.47 123.44 42.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.952 -0.567 . . . . 75.420000000000002 110.039 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.509 ' HG ' HG12 ' A' ' 112' ' ' ILE . 4.2 mm? -75.53 0.57 16.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.113 -0.494 . . . . 74.420000000000002 111.937 -175.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.6 m -68.44 -37.57 80.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.889 0.376 . . . . 73.129999999999995 110.561 178.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.88 14.74 14.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 73.510000000000005 111.135 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.25 125.57 35.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.97 0.414 . . . . 61.329999999999998 110.728 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.6 t -89.59 116.7 31.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.922 -0.581 . . . . 74.430000000000007 110.438 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 54.3 mt -82.92 101.57 7.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.806 -0.634 . . . . 74.519999999999996 109.952 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.1 m -103.18 104.14 38.78 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 116.323 -0.398 . . . . 65.519999999999996 110.309 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.67 141.61 73.39 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.314 2.009 . . . . 73.450000000000003 111.836 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.692 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 10.6 t60 -77.7 145.74 36.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.741 -0.837 . . . . 74.450000000000003 108.741 176.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -83.25 -54.3 5.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.732 0.301 . . . . 74.150000000000006 110.669 -174.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -60.83 -40.86 94.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.072 0.463 . . . . 75.209999999999994 110.426 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.692 ' H ' ' HD2' ' A' ' 79' ' ' HIS . 36.2 m-20 -106.74 106.71 17.37 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 116.04 -0.527 . . . . 74.409999999999997 110.249 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -70.43 -22.11 62.75 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.044 0.449 . . . . 74.329999999999998 110.33 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 63.8 m -87.18 -12.15 47.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.889 -0.596 . . . . 63.229999999999997 111.227 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 35.5 ttm-85 -95.26 138.17 33.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 71.239999999999995 110.493 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -135.44 119.27 17.28 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.921 -0.581 . . . . 61.539999999999999 110.292 -176.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -89.69 118.41 29.28 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.598 -0.728 . . . . 64.450000000000003 109.775 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.838 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 26.3 mm -102.84 105.47 18.25 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 115.912 -0.585 . . . . 54.130000000000003 110.448 -176.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.4 p -110.03 126.3 53.83 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.334 0.588 . . . . 74.109999999999999 111.058 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.623 HG13 ' HB ' ' A' ' 69' ' ' ILE . 4.9 p -147.48 116.39 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.744 -0.662 . . . . 72.430000000000007 110.697 -176.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.532 ' ND2' HG21 ' A' ' 90' ' ' VAL . 50.4 m-80 63.61 -75.95 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.681 -0.691 . . . . 61.119999999999997 110.912 -175.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -136.88 -28.29 0.97 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.936 -1.029 . . . . 72.25 109.881 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.0 m -75.48 134.98 40.7 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.542 -0.754 . . . . 54.229999999999997 110.896 -172.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 77.3 t -123.72 117.2 50.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.583 -0.735 . . . . 64.239999999999995 109.793 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.838 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 17.6 m95 -109.93 101.91 10.71 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.962 -0.563 . . . . 74.230000000000004 110.685 -175.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -76.07 80.02 2.91 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.268 -0.641 . . . . 74.340000000000003 109.268 175.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 27.3 tp -93.67 169.48 10.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.163 -0.471 . . . . 74.109999999999999 109.745 -173.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -153.0 143.59 22.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.025 0.441 . . . . 55.25 110.479 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.09 170.38 16.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.739 -0.664 . . . . 71.140000000000001 110.127 175.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -100.86 -23.69 14.52 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.17 -0.468 . . . . 73.519999999999996 110.74 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -144.37 137.86 14.24 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.941 -0.572 . . . . 75.450000000000003 109.907 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.17 -37.14 43.23 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 123.025 2.483 . . . . 64.430000000000007 112.876 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -66.34 -34.87 78.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.615 -0.266 . . . . 73.530000000000001 110.994 -176.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -122.82 68.48 0.97 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.773 0.797 . . . . 63.25 111.542 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -81.66 -18.16 45.51 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 107.797 -1.186 . . . . 62.539999999999999 107.797 168.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -56.83 -3.15 0.1 Allowed 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 113.253 -1.794 . . . . 75.409999999999997 112.097 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -45.48 -52.68 9.92 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.662 -0.866 . . . . 74.540000000000006 108.662 167.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.547 ' CH2' ' HD3' ' A' ' 26' ' ' ARG . 11.4 m95 -71.48 -50.42 31.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.045 -0.98 . . . . 74.530000000000001 109.949 -176.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.7 mm -57.0 -58.05 7.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.571 -0.741 . . . . 61.43 110.912 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -63.44 -44.88 93.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.803 -0.635 . . . . 64.510000000000005 111.428 -176.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.74 -56.29 24.08 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.213 0.53 . . . . 44.539999999999999 110.645 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.509 HG12 ' HG ' ' A' ' 71' ' ' LEU . 45.5 mt -65.69 -45.77 91.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.997 -0.547 . . . . 64.120000000000005 111.16 -175.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.504 ' HA ' ' OE1' ' A' ' 113' ' ' GLU . 3.9 mm-40 -58.78 -43.07 90.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.82 0.343 . . . . 62.109999999999999 111.653 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -78.03 -15.23 59.1 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 120.47 -0.492 . . . . 63.420000000000002 111.561 -178.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -104.9 -14.7 15.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 114.182 1.178 . . . . 75.219999999999999 114.182 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.472 ' HD2' ' C ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -72.58 156.61 38.81 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.061 0.457 . . . . 74.340000000000003 110.952 -175.55 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 56.6 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.665 -0.683 . . . . 71.120000000000005 110.434 -176.223 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.637 HG11 ' HD2' ' A' ' 48' ' ' LYS . 22.3 m . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 110.392 -0.225 . . . . 72.510000000000005 110.392 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -85.76 -46.44 10.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.377 0.608 . . . . 61.210000000000001 109.952 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -140.16 122.24 15.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.378 -0.828 . . . . 73.129999999999995 110.025 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.9 p -135.15 105.29 6.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.976 -0.556 . . . . 75.030000000000001 109.641 174.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.3 177.5 39.25 Favored Glycine 0 CA--C 1.506 -0.519 0 C-N-CA 120.122 -1.037 . . . . 75.109999999999999 111.972 -176.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 43' ' ' ARG . 27.8 m -91.1 143.24 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-O 121.735 0.778 . . . . 73.120000000000005 111.657 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.572 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 60.3 tp -112.64 114.81 27.6 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.802 -1.09 . . . . 71.140000000000001 109.029 174.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.509 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 49.0 p -84.2 108.13 16.91 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.025 -0.534 . . . . 75.349999999999994 109.669 174.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.554 ' HZ2' ' HB2' ' A' ' 96' ' ' TYR . 10.8 tptm -144.72 149.29 35.33 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.878 -0.329 . . . . 74.450000000000003 110.316 177.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.555 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 20.1 p90 -68.5 156.83 37.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.089 -0.505 . . . . 75.010000000000005 112.104 -173.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.8 t 179.73 -36.57 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.407 -0.815 . . . . 75.150000000000006 110.474 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.529 ' OD1' HG13 ' A' ' 37' ' ' ILE . 35.0 t-20 -130.35 129.01 42.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.905 -0.776 . . . . 73.140000000000001 108.905 178.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -85.42 -7.0 59.17 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.765 0.654 . . . . 74.439999999999998 112.765 -166.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.529 HG13 ' OD1' ' A' ' 35' ' ' ASN . 2.4 pp -74.32 1.1 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 121.797 0.808 . . . . 74.439999999999998 110.403 174.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -141.23 -33.02 0.53 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.797 -1.092 . . . . 72.349999999999994 109.039 174.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.541 ' O ' ' HA ' ' A' ' 33' ' ' TRP . . . 93.39 -83.82 1.07 Allowed Glycine 0 N--CA 1.441 -0.988 0 N-CA-C 109.968 -1.253 . . . . 72.439999999999998 109.968 -174.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.555 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 8.8 m95 -101.99 123.64 46.24 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.32 -0.622 . . . . 73.299999999999997 109.32 177.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.509 ' O ' ' HA ' ' A' ' 31' ' ' SER . 1.1 pt20 -97.17 154.95 17.06 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.555 -0.535 . . . . 73.239999999999995 109.555 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -97.93 124.4 42.35 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.469 0.652 . . . . 72.200000000000003 109.628 174.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.572 ' HG2' ' O ' ' A' ' 30' ' ' LEU . 15.5 ptp180 -124.21 153.83 41.04 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.266 -0.879 . . . . 71.430000000000007 109.268 -178.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -89.82 130.3 36.08 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.097 -0.641 . . . . 72.409999999999997 109.421 -177.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.585 HG23 ' HB2' ' A' ' 54' ' ' TYR . 54.2 t -127.53 129.25 70.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 120.959 0.409 . . . . 75.329999999999998 110.904 -177.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.455 ' O ' HD12 ' A' ' 52' ' ' LEU . 46.4 t -124.39 126.8 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.371 -0.831 . . . . 64.0 111.099 -178.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.7 tt -114.03 118.44 34.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.682 -0.859 . . . . 65.230000000000004 108.682 174.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.637 ' HD2' HG11 ' A' ' 24' ' ' VAL . 73.4 tttt -168.53 149.3 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.631 -0.259 . . . . 74.319999999999993 110.667 -174.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 58.34 30.35 19.45 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.163 0.431 . . . . 74.299999999999997 112.163 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.61 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 3.4 t-20 66.29 15.8 10.22 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.696 0.76 . . . . 63.450000000000003 110.443 -178.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.44 152.85 37.4 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.64 -0.709 . . . . 73.450000000000003 109.716 177.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 46' ' ' VAL . 31.8 tp -123.29 131.08 53.54 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 108.812 -0.81 . . . . 73.209999999999994 108.812 175.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -142.89 134.81 26.95 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 109.615 -0.513 . . . . 75.420000000000002 109.615 -175.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.585 ' HB2' HG23 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -129.36 150.4 50.73 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.398 0.618 . . . . 74.209999999999994 110.805 -177.677 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -135.39 -174.02 3.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.1 -0.955 . . . . 64.25 109.543 -173.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -73.76 -51.89 15.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.93 -0.577 . . . . 73.340000000000003 110.098 173.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.669 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 16.4 m -142.85 -178.06 5.63 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.495 -0.187 . . . . 70.230000000000004 110.495 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -70.37 -25.82 63.43 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 122.469 0.308 . . . . 74.209999999999994 111.409 -175.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -75.61 49.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.455 0.645 . . . . 75.439999999999998 110.006 173.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.529 ' HA ' ' HB2' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -54.57 -8.52 0.24 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 114.47 1.285 . . . . 71.150000000000006 114.47 -175.392 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.0 t -67.66 -31.44 71.44 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.464 -0.494 . . . . 75.400000000000006 110.638 177.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -101.93 -1.62 31.57 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.056 0.455 . . . . 74.140000000000001 110.321 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.669 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 41.8 m-85 -110.05 -10.03 14.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.994 -0.548 . . . . 65.129999999999995 110.568 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.84 -102.89 1.19 Allowed Glycine 0 C--N 1.335 0.499 0 CA-C-N 115.639 -0.71 . . . . 62.32 112.283 170.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 51.0 t -169.84 117.81 0.59 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.722 -0.844 . . . . 63.240000000000002 108.722 175.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.434 ' HA ' ' HD3' ' A' ' 66' ' ' ARG . 25.0 mmt85 -90.25 -15.2 31.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.059 -0.519 . . . . 75.150000000000006 110.336 -175.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.89 132.1 2.12 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.447 -0.797 . . . . 65.019999999999996 111.354 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 p -142.44 120.25 11.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.868 0.366 . . . . 73.340000000000003 110.885 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.586 ' HB ' HG13 ' A' ' 90' ' ' VAL . 24.8 pt -128.31 152.99 37.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.177 -0.465 . . . . 63.020000000000003 111.536 -178.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 85.1 m -98.95 122.25 41.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.768 -0.651 . . . . 74.030000000000001 109.941 175.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.989 HD22 HG12 ' A' ' 112' ' ' ILE . 5.1 mp -74.75 1.61 12.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.766 -0.652 . . . . 74.019999999999996 111.639 -174.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.8 t -79.89 -36.17 36.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.234 -0.439 . . . . 74.219999999999999 110.247 176.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.488 ' HB2' HG22 ' A' ' 90' ' ' VAL . 2.0 mmmm -92.51 -20.17 21.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.207 0.527 . . . . 64.040000000000006 109.982 -179.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.767 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -70.56 138.64 51.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.47 -0.786 . . . . 64.409999999999997 112.194 -172.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.4 t -97.66 132.33 42.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.521 -0.763 . . . . 53.299999999999997 109.333 175.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.451 HD11 ' HZ ' ' A' ' 86' ' ' PHE . 21.4 mt -85.84 121.06 36.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.248 0.547 . . . . 61.340000000000003 111.242 -178.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.84 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 51.0 m -116.52 95.94 46.94 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.524 -0.762 . . . . 74.519999999999996 110.336 175.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.439 ' HD3' HG22 ' A' ' 76' ' ' ILE . 50.7 Cg_endo -70.66 125.98 12.24 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 121.776 1.651 . . . . 72.230000000000004 110.516 175.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.552 ' HB2' ' HG2' ' A' ' 85' ' ' ARG . 20.1 t60 -62.47 140.72 58.6 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.141 -0.624 . . . . 74.420000000000002 109.798 -179.281 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -78.32 -60.65 2.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.073 -0.512 . . . . 65.120000000000005 111.673 -174.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -64.87 -20.72 66.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.571 -0.286 . . . . 74.420000000000002 111.735 -177.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.576 ' HB3' ' HB3' ' A' ' 85' ' ' ARG . 9.9 t70 -109.95 145.41 36.97 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.29 -0.564 . . . . 71.019999999999996 110.567 -177.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -92.21 -6.73 50.02 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.988 -0.551 . . . . 73.420000000000002 111.777 -173.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.59 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 59.2 m -138.48 -17.19 1.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.916 0.709 . . . . 65.109999999999999 112.916 -178.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.576 ' HB3' ' HB3' ' A' ' 82' ' ' ASP . 0.8 OUTLIER -61.61 133.46 55.67 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.306 0.574 . . . . 74.430000000000007 109.852 175.314 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.51 ' HD1' ' HD2' ' A' ' 105' ' ' ARG . 55.3 t80 -135.65 124.0 23.3 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.266 -0.879 . . . . 75.230000000000004 110.432 -169.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.84 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 10.0 t70 -105.16 135.75 45.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.165 -0.471 . . . . 75.340000000000003 110.124 -177.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.469 HD12 ' HD2' ' A' ' 86' ' ' PHE . 3.7 mp -125.34 113.94 37.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.733 -0.667 . . . . 74.530000000000001 109.51 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.2 p -115.72 119.45 36.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.225 0.536 . . . . 61.539999999999999 112.017 -174.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.767 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 7.2 p -160.71 140.09 3.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 115.875 -0.602 . . . . 72.25 110.769 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.515 ' ND2' HG23 ' A' ' 90' ' ' VAL . 62.7 m-80 52.09 34.53 14.31 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.122 0.415 . . . . 75.109999999999999 112.122 -178.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.7 t70 74.55 -11.38 1.03 Allowed 'General case' 0 C--N 1.319 -0.731 0 O-C-N 123.68 0.613 . . . . 51.140000000000001 111.821 -176.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.7 m -81.25 108.79 15.18 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.71 -0.478 . . . . 72.5 109.71 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 42.5 t -104.25 114.03 42.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.939 -0.573 . . . . 71.120000000000005 109.956 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.433 ' CZ3' ' HB3' ' A' ' 54' ' ' TYR . 14.2 m95 -99.54 132.55 44.8 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.499 -0.773 . . . . 74.450000000000003 110.222 -177.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.554 ' HB2' ' HZ2' ' A' ' 32' ' ' LYS . 2.2 m-85 -114.71 84.49 2.08 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.941 -0.304 . . . . 73.219999999999999 110.182 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.469 HD23 HG13 ' A' ' 45' ' ' VAL . 10.6 mp -95.99 -174.07 3.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.206 -0.452 . . . . 74.409999999999997 110.246 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 85' ' ' ARG . 22.8 ttt180 -157.25 143.11 17.64 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.383 -0.599 . . . . 62.539999999999999 109.383 177.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.59 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . . . -80.76 -172.7 3.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.074 -0.512 . . . . 75.230000000000004 110.442 176.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -43.96 -71.08 0.09 Allowed 'General case' 0 N--CA 1.464 0.261 0 O-C-N 124.128 0.893 . . . . 74.120000000000005 111.801 -175.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.729 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 30.3 t70 174.91 -56.34 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.413 0 O-C-N 123.602 0.564 . . . . 72.549999999999997 111.291 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.729 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 57.7 Cg_endo -97.1 95.97 0.08 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 122.453 2.102 . . . . 71.219999999999999 113.632 -177.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.3 t70 71.44 -42.94 0.55 Allowed 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.235 1.198 . . . . 73.430000000000007 114.235 169.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -70.78 68.09 0.4 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.728 0.64 . . . . 75.510000000000005 112.728 -172.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.587 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . 44.1 ttp180 -92.41 -11.42 34.88 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.167 -0.924 . . . . 72.109999999999999 108.523 171.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.473 ' HA ' HG12 ' A' ' 109' ' ' ILE . 15.5 pt20 -62.98 -8.22 6.81 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 114.479 -1.237 . . . . 74.219999999999999 111.59 -174.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -50.87 -46.11 60.23 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.105 0.478 . . . . 72.140000000000001 109.862 173.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.473 ' O ' HG13 ' A' ' 112' ' ' ILE . 11.0 m95 -73.13 -38.25 66.34 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.158 -0.682 . . . . 73.129999999999995 109.158 -177.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.473 HG12 ' HA ' ' A' ' 106' ' ' GLN . 36.5 mm -57.8 -58.35 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.628 -0.715 . . . . 73.099999999999994 109.893 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -55.55 -50.64 69.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.557 -0.292 . . . . 74.140000000000001 111.363 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.67 -56.62 17.24 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.265 0.555 . . . . 64.450000000000003 111.432 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.989 HG12 HD22 ' A' ' 71' ' ' LEU . 30.1 mt -68.51 -46.06 80.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.188 -0.46 . . . . 70.310000000000002 111.099 -175.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -55.61 -40.72 72.45 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.787 0.327 . . . . 62.020000000000003 111.45 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -81.04 -25.58 37.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.358 -0.383 . . . . 74.129999999999995 111.966 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.61 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 21.4 m-70 -93.44 -22.94 18.59 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.629 0.974 . . . . 74.120000000000005 113.629 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.33 164.9 23.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.108 0.48 . . . . 61.409999999999997 111.34 -175.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.5 p . . . . . 0 C--O 1.25 1.127 0 CA-C-N 115.752 -0.658 . . . . 74.430000000000007 110.548 -179.154 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.156 -0.313 . . . . 75.209999999999994 110.156 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.03 -45.77 59.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.231 0.539 . . . . 74.340000000000003 109.722 -177.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.674 ' HG2' ' CH2' ' A' ' 108' ' ' TRP . 3.4 tpm_? -159.76 128.09 4.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.477 -0.783 . . . . 75.319999999999993 109.699 179.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 p -142.19 114.01 8.01 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.568 -0.53 . . . . 55.409999999999997 109.568 174.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -165.33 173.82 41.12 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.246 -0.978 . . . . 75.239999999999995 112.258 -177.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.423 HG12 ' HE3' ' A' ' 44' ' ' TRP . 3.0 m -86.69 137.26 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.461 0.648 . . . . 71.439999999999998 110.932 178.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.412 HD12 ' O ' ' A' ' 96' ' ' TYR . 10.4 tt -117.53 121.29 40.59 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.116 -0.947 . . . . 61.509999999999998 108.986 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 17.6 m -92.54 108.19 19.79 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.096 0.474 . . . . 70.400000000000006 110.917 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.547 ' HE3' ' CZ3' ' A' ' 33' ' ' TRP . 43.7 tptt -149.01 163.17 38.3 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.358 -0.608 . . . . 73.150000000000006 109.358 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.547 ' CZ3' ' HE3' ' A' ' 32' ' ' LYS . 7.7 p90 -60.7 141.16 57.13 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.158 0.504 . . . . 74.319999999999993 111.862 -174.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.9 p -118.1 -22.21 7.9 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.581 -0.736 . . . . 52.140000000000001 111.368 175.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -127.96 -77.7 0.57 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.411 -0.358 . . . . 73.510000000000005 110.087 -174.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -103.48 173.96 6.08 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.843 -0.799 . . . . 75.239999999999995 108.843 173.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.9 mm -61.82 -37.67 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.806 -0.813 . . . . 54.43 108.806 173.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -87.2 82.26 7.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.345 -0.843 . . . . 73.140000000000001 109.444 171.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 33' ' ' TRP . . . 166.62 68.52 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.639 -0.71 . . . . 61.32 111.634 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 26.9 p90 -89.09 117.04 27.8 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.31 0.576 . . . . 74.010000000000005 110.739 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.424 ' O ' ' HA ' ' A' ' 31' ' ' SER . 59.3 tp60 -102.5 162.01 13.26 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.636 -0.711 . . . . 64.099999999999994 109.582 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 4.3 p-10 -95.2 125.23 39.7 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.487 -0.778 . . . . 73.209999999999994 109.564 177.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.445 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 17.5 ptt180 -127.5 141.77 51.57 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.688 -0.687 . . . . 71.299999999999997 109.821 178.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.518 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 72.1 t-105 -84.95 119.2 25.11 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.877 -0.329 . . . . 74.420000000000002 110.18 -173.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.552 HG11 ' HB2' ' A' ' 54' ' ' TYR . 21.9 m -115.39 139.73 40.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-O 121.135 0.493 . . . . 72.510000000000005 110.29 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.474 HG12 ' HB2' ' A' ' 53' ' ' SER . 7.2 p -138.69 133.07 41.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.697 -0.683 . . . . 74.549999999999997 110.286 -177.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.3 tt -119.34 125.31 48.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.527 -0.546 . . . . 73.519999999999996 109.527 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -172.57 149.23 2.07 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.745 -0.465 . . . . 63.399999999999999 109.745 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.6 m120 64.13 22.93 13.04 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.269 0.356 . . . . 73.510000000000005 110.865 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.813 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 16.4 t-20 68.49 11.48 8.36 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.999 0.904 . . . . 73.439999999999998 110.353 -178.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.54 137.73 47.86 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.359 -0.837 . . . . 60.399999999999999 109.795 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' A' ' 68' ' ' SER . 49.7 tp -110.48 135.42 51.18 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.44 -0.578 . . . . 75.230000000000004 109.44 177.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.474 ' HB2' HG12 ' A' ' 46' ' ' VAL . 72.6 m -135.52 147.52 48.84 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.095 -0.502 . . . . 75.120000000000005 110.406 -173.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.554 ' HB3' ' CZ3' ' A' ' 95' ' ' TRP . 0.2 OUTLIER -140.89 150.79 43.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.496 0.665 . . . . 73.329999999999998 111.177 175.373 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.503 ' CD1' ' HD1' ' A' ' 44' ' ' TRP . 10.5 m-85 -128.12 162.14 27.62 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 114.628 -1.169 . . . . 72.439999999999998 108.13 -177.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.506 ' HB2' ' CD1' ' A' ' 63' ' ' TYR . 2.3 mmmp? -59.54 -21.31 60.07 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.717 1.006 . . . . 74.219999999999999 113.717 -173.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.1 t -174.26 -175.09 0.95 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.243 -1.021 . . . . 70.030000000000001 108.243 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.42 -28.07 67.98 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.515 0.561 . . . . 63.109999999999999 112.515 -172.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.561 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 15.7 t70 -46.03 -43.87 14.78 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.24 0.337 . . . . 71.420000000000002 111.479 -178.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.51 ' HA ' ' HD2' ' A' ' 63' ' ' TYR . 8.0 pt-20 49.12 -36.08 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.608 1.963 . . . . 72.430000000000007 116.067 -175.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.452 ' H ' ' C ' ' A' ' 59' ' ' ASP . 2.4 p -63.61 -43.48 96.78 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.196 0.813 . . . . 71.200000000000003 113.196 -171.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.462 ' HG2' ' OD1' ' A' ' 59' ' ' ASP . 10.0 pt-20 -80.73 -15.17 57.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.311 0.577 . . . . 72.109999999999999 110.132 -177.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 59' ' ' ASP . 23.7 m-85 -86.77 -32.92 20.12 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.383 -0.826 . . . . 70.230000000000004 111.198 -173.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.439 ' O ' ' HE2' ' A' ' 55' ' ' TYR . . . 75.52 -70.31 1.94 Allowed Glycine 0 C--O 1.229 -0.188 0 C-N-CA 121.194 -0.527 . . . . 71.329999999999998 111.838 -178.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 21.7 p -175.14 127.85 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.772 -0.825 . . . . 74.230000000000004 108.772 173.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.49 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 14.9 mmt85 -111.57 -8.35 14.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.251 0.548 . . . . 62.130000000000003 110.848 -174.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.77 135.64 3.6 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.495 -1.042 . . . . 54.549999999999997 110.495 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.477 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 25.5 t -150.93 137.63 18.88 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 110.026 -0.361 . . . . 71.219999999999999 110.026 -178.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.52 ' HB ' HG11 ' A' ' 90' ' ' VAL . 20.2 pt -138.52 153.88 26.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.198 -0.456 . . . . 74.200000000000003 110.309 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 84.0 m -99.13 125.2 44.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.216 -0.447 . . . . 52.229999999999997 109.99 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.983 HD21 HG12 ' A' ' 112' ' ' ILE . 6.8 mp -83.14 27.7 0.55 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.952 -0.567 . . . . 74.140000000000001 111.023 -175.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.2 t -60.94 -60.46 3.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 74.329999999999998 110.305 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.27 19.31 9.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.325 -0.398 . . . . 74.200000000000003 110.668 178.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.46 110.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 72.219999999999999 109.884 176.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 50.5 t -70.94 120.89 19.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.0 -0.545 . . . . 70.230000000000004 110.879 -174.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.52 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 55.9 mt -82.24 110.11 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.954 -0.566 . . . . 70.049999999999997 109.753 176.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 1.04 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 1.1 m -93.9 103.78 11.28 Favored Pre-proline 0 C--N 1.313 -1.001 0 CA-C-N 115.923 -0.58 . . . . 62.219999999999999 109.698 176.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.52 ' HD3' ' O ' ' A' ' 76' ' ' ILE . 12.3 Cg_exo -70.46 111.36 2.93 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.408 2.072 . . . . 71.349999999999994 111.417 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.479 ' HB3' ' HB3' ' A' ' 85' ' ' ARG . 2.0 t60 -74.7 103.05 4.83 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.723 -0.843 . . . . 74.0 108.723 178.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -72.64 -45.43 59.02 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.359 -0.837 . . . . 72.049999999999997 111.37 -165.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -66.82 -24.42 66.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.796 -0.638 . . . . 73.340000000000003 110.573 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' A' ' 84' ' ' CYS . 11.4 t70 -86.21 -38.29 17.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.277 -0.419 . . . . 64.319999999999993 110.222 -177.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 75.54 -31.55 0.2 Allowed 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.258 1.023 . . . . 74.129999999999995 111.733 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.431 ' H ' ' C ' ' A' ' 82' ' ' ASP . 57.4 m -107.6 -13.28 15.09 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.249 -0.432 . . . . 73.109999999999999 111.238 -176.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.479 ' HB3' ' HB3' ' A' ' 79' ' ' HIS . 15.4 ttm-85 -94.08 143.18 26.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.428 0.633 . . . . 55.420000000000002 111.821 -174.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.628 ' HE2' ' HB2' ' A' ' 105' ' ' ARG . 43.7 m-85 -133.77 127.33 32.51 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.967 -1.015 . . . . 73.519999999999996 109.915 177.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 1.04 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 11.6 t70 -94.93 136.07 35.69 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.662 -1.154 . . . . 71.239999999999995 109.88 -178.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.718 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 27.3 mm -114.48 106.5 20.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 110.177 -0.305 . . . . 74.109999999999999 110.177 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.3 p -114.14 111.11 21.05 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.584 0.707 . . . . 73.129999999999995 111.487 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.52 HG11 ' HB ' ' A' ' 69' ' ' ILE . 12.4 p -137.83 123.23 24.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.556 -0.747 . . . . 65.219999999999999 109.798 178.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.5 HD21 HG23 ' A' ' 90' ' ' VAL . 57.1 m-80 60.87 28.88 18.63 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.663 -0.244 . . . . 60.240000000000002 111.193 -178.144 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.9 t70 75.42 -6.55 1.95 Allowed 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.717 0.635 . . . . 73.310000000000002 111.659 -175.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.9 m -74.87 112.92 11.57 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.008 -0.738 . . . . 74.299999999999997 109.008 173.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.5 t -107.43 124.78 63.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.014 0.435 . . . . 64.400000000000006 111.501 -172.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.718 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 24.7 m95 -116.75 115.59 25.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.837 -0.62 . . . . 75.340000000000003 110.377 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.412 ' O ' HD12 ' A' ' 30' ' ' LEU . 21.0 m-85 -92.98 97.28 10.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.618 -0.265 . . . . 74.319999999999993 110.439 -179.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.8 mp -106.69 158.74 16.74 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.08 -0.341 . . . . 75.219999999999999 110.08 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.477 ' HG3' ' CA ' ' A' ' 85' ' ' ARG . 1.8 ttp85 -145.93 155.08 42.62 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.884 -0.326 . . . . 75.120000000000005 110.73 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.707 ' HB3' ' HB3' ' A' ' 105' ' ' ARG . . . -72.36 158.0 36.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.048 -0.524 . . . . 75.510000000000005 110.488 175.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -79.23 -20.73 47.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.013 -0.54 . . . . 61.329999999999998 110.865 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.914 ' HB2' ' HD2' ' A' ' 102' ' ' PRO . 4.7 p-10 -141.01 174.55 3.79 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.47 -0.332 . . . . 72.129999999999995 110.114 -177.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.914 ' HD2' ' HB2' ' A' ' 101' ' ' ASP . 5.8 Cg_endo -48.52 -29.51 14.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 C-N-CA 123.53 2.82 . . . . 70.400000000000006 114.363 -177.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -131.02 -157.47 0.82 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.677 -0.49 . . . . 63.119999999999997 109.677 176.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.431 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 64.5 m80 70.33 8.7 6.74 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 122.533 0.333 . . . . 72.140000000000001 111.323 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.707 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 2.2 ppt_? -69.43 -11.12 60.56 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.374 0.607 . . . . 73.439999999999998 110.161 176.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -55.27 -12.26 0.96 Allowed 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.006 -0.997 . . . . 65.25 111.028 170.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 18.7 mm-40 -46.04 -54.14 8.95 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.777 -0.453 . . . . 63.329999999999998 109.777 170.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.674 ' CH2' ' HG2' ' A' ' 26' ' ' ARG . 14.5 m95 -70.21 -46.58 64.22 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.404 -0.816 . . . . 75.219999999999999 109.49 -173.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.409 ' O ' ' HG2' ' A' ' 113' ' ' GLU . 26.6 mm -55.61 -62.8 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.367 -0.833 . . . . 71.319999999999993 110.474 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -60.3 -41.28 93.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.748 -0.66 . . . . 71.150000000000006 111.046 -174.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.12 -54.99 40.49 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 121.036 0.446 . . . . 72.349999999999994 110.741 178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.983 HG12 HD21 ' A' ' 71' ' ' LEU . 43.9 mt -67.67 -46.44 82.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.419 -0.355 . . . . 72.420000000000002 111.15 -176.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 109' ' ' ILE . 8.7 mm-40 -58.8 -36.81 75.06 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.852 0.358 . . . . 73.219999999999999 111.374 -178.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -79.95 -31.4 39.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.553 -0.294 . . . . 74.019999999999996 111.196 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.813 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 58.5 m-70 -91.86 2.53 56.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.922 0.342 . . . . 70.549999999999997 111.922 -179.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.899 ' HE2' ' HA ' ' A' ' 116' ' ' LYS . 7.5 mmpt? -42.07 141.55 0.87 Allowed 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.47 0.915 . . . . 74.299999999999997 113.47 175.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.247 0.939 0 CA-C-N 114.449 -1.25 . . . . 72.420000000000002 108.849 178.853 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.8 t . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 108.947 -0.76 . . . . 52.32 108.947 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.83 -58.33 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.437 0.461 . . . . 75.319999999999993 109.944 -176.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.672 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 3.3 tpm_? -143.55 132.21 22.48 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.159 -0.473 . . . . 73.340000000000003 110.017 168.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.0 p -145.26 120.96 10.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.992 -0.549 . . . . 72.120000000000005 109.787 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -176.71 169.82 42.38 Favored Glycine 0 C--O 1.228 -0.281 0 C-N-CA 120.127 -1.035 . . . . 73.230000000000004 112.606 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.913 HG13 ' HE3' ' A' ' 44' ' ' TRP . 2.7 m -92.46 150.32 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.091 0.472 . . . . 71.439999999999998 110.883 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 42' ' ' ASP . 3.6 pp -128.63 142.77 50.93 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.581 -0.736 . . . . 71.439999999999998 109.138 173.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.6 p -105.5 102.61 12.07 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.826 -0.625 . . . . 75.319999999999993 110.219 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -113.32 144.5 42.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.289 -0.414 . . . . 71.430000000000007 110.381 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.11 88.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.296 0.569 . . . . 74.420000000000002 110.435 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.425 ' C ' ' H ' ' A' ' 36' ' ' TYR . 11.1 p -83.68 98.75 9.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.759 -0.655 . . . . 71.230000000000004 111.348 -175.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.2 m120 74.43 -34.12 0.26 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.543 -0.753 . . . . 73.230000000000004 111.783 176.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.438 ' HB2' ' HA3' ' A' ' 39' ' ' GLY . 21.1 m-85 -115.78 133.25 56.22 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.626 -0.509 . . . . 75.439999999999998 109.626 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.5 tp -66.0 -25.87 37.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.024 0.44 . . . . 63.43 110.4 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -102.37 13.32 34.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.014 0.435 . . . . 74.400000000000006 110.413 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.438 ' HA3' ' HB2' ' A' ' 36' ' ' TYR . . . -118.69 62.99 0.44 Allowed Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.756 -0.656 . . . . 71.019999999999996 111.762 -178.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 -72.64 109.56 6.37 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.92 -0.4 . . . . 73.319999999999993 109.92 177.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -91.59 137.69 32.16 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.255 0.55 . . . . 73.329999999999998 110.837 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.447 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 4.2 m-20 -97.84 117.88 33.16 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.744 -1.117 . . . . 71.030000000000001 109.159 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -126.09 147.87 49.49 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.08 -0.509 . . . . 74.129999999999995 110.171 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.913 ' HE3' HG13 ' A' ' 29' ' ' VAL . 64.8 t-105 -96.34 118.69 33.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.304 -0.407 . . . . 74.439999999999998 110.085 -173.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.9 m -111.56 141.72 26.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.456 0.646 . . . . 73.0 111.42 -176.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.491 ' O ' HD12 ' A' ' 52' ' ' LEU . 46.3 t -129.97 122.95 55.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 114.88 -1.055 . . . . 71.219999999999999 110.633 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 tt -107.68 111.22 23.31 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.671 -0.863 . . . . 74.109999999999999 108.671 176.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -157.64 143.19 17.19 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.044 -0.262 . . . . 75.239999999999995 111.016 -177.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 54.76 35.61 24.45 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.179 -0.464 . . . . 60.420000000000002 111.397 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.526 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 2.7 t-20 68.0 5.7 4.73 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.142 -0.936 . . . . 60.420000000000002 111.125 178.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.36 124.59 52.82 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.225 0.536 . . . . 75.540000000000006 109.948 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.491 HD12 ' O ' ' A' ' 46' ' ' VAL . 51.6 tp -99.68 131.19 45.83 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.977 -0.749 . . . . 71.219999999999999 108.977 177.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.5 m -141.77 139.41 32.79 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.17 -0.468 . . . . 72.409999999999997 109.835 -175.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.641 ' HB3' ' CZ3' ' A' ' 95' ' ' TRP . 3.0 p90 -124.84 156.07 38.45 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.057 -0.657 . . . . 71.25 111.025 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -127.79 165.64 19.71 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 114.904 -1.043 . . . . 75.540000000000006 109.043 -177.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 63' ' ' TYR . 29.4 tptp -57.41 -32.46 66.88 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 123.619 0.574 . . . . 75.420000000000002 111.466 -178.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.581 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 8.1 t -171.81 -163.79 0.28 Allowed 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.702 -0.481 . . . . 71.519999999999996 109.702 176.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.445 ' C ' ' H ' ' A' ' 60' ' ' GLU . 33.8 tt0 -67.35 -28.21 67.77 Favored 'General case' 0 N--CA 1.461 0.116 0 O-C-N 123.117 0.261 . . . . 70.099999999999994 111.362 -173.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.501 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 5.6 m-20 -74.72 47.91 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.358 0.599 . . . . 64.209999999999994 110.397 173.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' ' 58' ' ' GLU . 4.8 pt-20 -46.21 -37.76 7.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.722 -1.126 . . . . 72.25 112.409 -179.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.5 p -56.94 -34.87 68.43 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.284 0.476 . . . . 75.209999999999994 112.284 -177.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -111.91 4.86 18.53 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.918 -0.313 . . . . 63.229999999999997 111.625 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.581 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 9.7 m-85 -104.11 -24.53 13.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.693 0.282 . . . . 72.0 110.937 177.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.81 160.23 9.09 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 121.005 -0.617 . . . . 71.540000000000006 113.016 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.4 p -72.34 109.96 6.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.137 0.494 . . . . 74.420000000000002 110.187 178.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -91.03 -17.64 25.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.916 -0.584 . . . . 73.150000000000006 110.762 -175.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -157.84 148.8 18.75 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.978 -0.849 . . . . 70.409999999999997 110.978 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 13.2 p -159.43 121.79 3.47 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 117.013 0.407 . . . . 73.5 110.759 -176.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.3 pt -128.7 156.87 41.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.148 -0.478 . . . . 72.519999999999996 111.251 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 85.2 m -99.08 119.39 37.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.47 -0.786 . . . . 63.340000000000003 109.676 175.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.9 HD22 HG12 ' A' ' 112' ' ' ILE . 8.2 mp -84.08 25.52 0.82 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.29 0.567 . . . . 73.239999999999995 110.699 -175.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.4 m -77.46 -31.76 53.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.378 -0.828 . . . . 74.450000000000003 110.452 177.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.22 4.28 4.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.595 -0.73 . . . . 75.540000000000006 110.908 -177.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.658 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -65.7 133.5 51.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.122 -0.49 . . . . 52.140000000000001 110.946 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.1 t -85.97 108.82 17.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.675 -0.693 . . . . 61.119999999999997 110.387 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.8 mt -77.21 107.86 9.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.047 -0.524 . . . . 74.430000000000007 109.75 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.2 m -109.2 99.98 38.68 Favored Pre-proline 0 C--N 1.316 -0.889 0 CA-C-N 116.264 -0.426 . . . . 75.129999999999995 110.917 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.25 125.1 13.46 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.148 1.898 . . . . 64.049999999999997 109.998 172.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.401 ' HB2' ' HD2' ' A' ' 85' ' ' ARG . 34.1 t60 -63.38 137.03 58.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.849 -0.426 . . . . 75.019999999999996 109.849 -177.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.54 -49.86 43.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.947 0.403 . . . . 62.100000000000001 111.13 -172.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -83.15 -11.38 57.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.254 -0.43 . . . . 75.209999999999994 111.635 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -128.27 107.79 10.06 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 120.665 0.269 . . . . 73.5 110.553 178.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -76.84 -25.69 53.48 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.094 -0.503 . . . . 54.130000000000003 110.689 -177.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 98' ' ' ARG . 72.6 m -85.07 -13.69 49.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.107 -0.497 . . . . 64.030000000000001 110.81 178.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.401 ' HD2' ' HB2' ' A' ' 79' ' ' HIS . 9.3 ttm180 -94.55 132.44 39.24 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.36 0.6 . . . . 55.140000000000001 110.599 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -125.41 126.74 45.45 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.494 -0.776 . . . . 74.109999999999999 110.335 178.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -108.55 115.54 30.3 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.65 -0.704 . . . . 62.310000000000002 109.641 -178.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.462 ' N ' HD12 ' A' ' 88' ' ' ILE . 4.1 mp -108.01 113.52 44.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 CA-C-N 115.273 -0.876 . . . . 75.310000000000002 109.694 -173.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.1 p -120.37 117.9 28.96 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.211 0.529 . . . . 64.25 111.884 -173.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.658 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 12.5 p -147.16 129.63 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.327 -0.62 . . . . 72.409999999999997 109.327 175.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.533 HD21 HG23 ' A' ' 90' ' ' VAL . 48.4 m-80 59.86 27.99 17.41 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.692 0.282 . . . . 73.239999999999995 111.329 -178.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 91' ' ' ASN . 5.3 m-20 70.92 2.35 4.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.695 -0.684 . . . . 71.120000000000005 112.4 -175.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.8 m -80.06 101.29 8.63 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.644 -0.873 . . . . 61.420000000000002 108.644 173.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.1 t -99.19 117.15 43.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.661 -0.7 . . . . 74.049999999999997 110.962 -174.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.641 ' CZ3' ' HB3' ' A' ' 54' ' ' TYR . 26.4 m95 -106.64 133.82 50.74 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.468 -0.787 . . . . 73.219999999999999 110.26 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -109.47 94.74 5.19 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.005 -0.368 . . . . 61.130000000000003 110.005 177.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 79.2 mt -95.9 162.58 13.52 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.254 -0.43 . . . . 70.540000000000006 110.058 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 1.1 ttp180 -140.87 138.53 34.01 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.024 -0.732 . . . . 71.340000000000003 109.024 175.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.65 139.46 53.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.64 0.257 . . . . 73.140000000000001 110.313 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.45 -16.87 61.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.106 0.479 . . . . 72.030000000000001 110.474 -178.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -134.86 133.51 21.14 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.1 -0.5 . . . . 72.340000000000003 109.875 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.49 131.28 36.24 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.41 2.74 . . . . 65.310000000000002 113.17 -176.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.9 t70 73.61 -25.46 0.19 Allowed 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.099 -0.955 . . . . 73.140000000000001 112.849 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -81.25 65.74 6.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.939 0.876 . . . . 74.319999999999993 110.288 -177.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -83.96 -4.04 58.43 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.124 -1.398 . . . . 64.430000000000007 109.307 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -25.14 8.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.249 -1.341 . . . . 74.409999999999997 112.491 -174.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -49.86 -50.57 45.16 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.599 0.562 . . . . 74.200000000000003 110.688 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.672 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 10.9 m95 -70.21 -49.61 48.46 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.535 -0.757 . . . . 74.239999999999995 109.676 -175.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.3 mm -56.06 -55.64 17.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.366 -0.834 . . . . 64.040000000000006 110.325 -176.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -61.61 -52.7 63.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.705 -0.68 . . . . 63.140000000000001 111.213 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.99 -54.49 38.26 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.354 0.597 . . . . 53.539999999999999 111.252 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.9 HG12 HD22 ' A' ' 71' ' ' LEU . 38.2 mt -68.83 -49.14 66.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.926 -0.579 . . . . 75.140000000000001 111.656 -174.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -58.78 -37.65 76.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.673 0.273 . . . . 75.530000000000001 111.607 -178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -79.53 -28.34 41.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.487 -0.324 . . . . 64.430000000000007 111.754 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.526 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 31.9 m-70 -91.01 -23.31 20.42 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 113.473 0.916 . . . . 73.349999999999994 113.473 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.552 ' HE3' ' O ' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -69.57 166.88 18.01 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.291 0.567 . . . . 71.400000000000006 111.654 -173.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.251 1.159 0 CA-C-N 115.638 -0.71 . . . . 44.030000000000001 109.601 176.479 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.493 HG12 ' HB3' ' A' ' 27' ' ' CYS . 39.5 t . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 109.54 -0.541 . . . . 63.240000000000002 109.54 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HG2' ' HA ' ' A' ' 48' ' ' LYS . 6.4 mm-40 -64.3 -46.6 82.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.26 0.553 . . . . 74.519999999999996 110.006 -176.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.586 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -156.04 128.46 7.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.791 -0.64 . . . . 71.129999999999995 109.886 172.787 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.493 ' HB3' HG12 ' A' ' 24' ' ' VAL . 4.3 p -140.02 123.78 17.38 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.149 -0.478 . . . . 64.040000000000006 109.793 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.55 170.7 43.76 Favored Glycine 0 C--N 1.319 -0.364 0 C-N-CA 120.192 -1.004 . . . . 60.509999999999998 112.576 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.889 HG13 ' HE3' ' A' ' 44' ' ' TRP . 1.7 m -95.66 141.08 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.146 0.498 . . . . 74.439999999999998 111.639 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.592 HD22 ' HA ' ' A' ' 97' ' ' LEU . 34.1 tp -119.98 130.29 54.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.521 -0.763 . . . . 53.509999999999998 110.232 174.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.5 p -76.51 94.5 3.71 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.011 -0.54 . . . . 74.109999999999999 110.233 176.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -120.76 138.37 54.04 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.492 -0.558 . . . . 75.439999999999998 109.492 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.879 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 5.7 m-90 -69.42 91.39 0.56 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.109 -0.496 . . . . 75.450000000000003 110.423 -178.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.7 t -81.76 -15.43 54.33 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.95 -0.759 . . . . 63.539999999999999 108.95 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -123.1 169.81 10.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.968 -1.015 . . . . 65.209999999999994 108.717 177.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -100.02 -67.24 0.86 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.068 0.461 . . . . 75.230000000000004 110.713 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.2 mm -68.69 -37.07 77.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.835 -0.62 . . . . 62.130000000000003 110.871 -178.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -79.91 -16.6 54.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.208 -0.451 . . . . 74.540000000000006 110.594 -176.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.94 -136.59 13.58 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.6 -0.81 . . . . 61.030000000000001 113.164 176.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.879 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 63.7 p-90 -97.23 167.97 10.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.406 0.622 . . . . 74.430000000000007 112.047 -172.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -146.09 160.48 41.85 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.084 -1.08 . . . . 75.319999999999993 108.084 171.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.643 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 65.7 m-20 -93.68 107.44 19.31 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.154 0.502 . . . . 74.349999999999994 110.562 -176.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.51 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 3.1 ptm180 -93.91 137.12 33.48 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.374 -0.83 . . . . 73.129999999999995 109.481 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.889 ' HE3' HG13 ' A' ' 29' ' ' VAL . 69.1 t-105 -93.0 112.88 25.0 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 109.614 -0.513 . . . . 75.140000000000001 109.614 -176.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 22.1 m -109.71 141.21 25.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-O 121.242 0.544 . . . . 74.25 110.792 -175.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.456 ' O ' HD12 ' A' ' 52' ' ' LEU . 36.4 t -131.44 118.55 40.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.106 -0.952 . . . . 65.010000000000005 110.689 -177.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.7 tt -103.29 121.78 43.43 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.525 -0.917 . . . . 75.019999999999996 108.525 174.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.4 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 57.6 tptt -169.01 141.95 2.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.695 -0.229 . . . . 72.0 110.472 -177.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.52 24.57 14.1 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.387 -0.369 . . . . 72.400000000000006 111.169 175.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.585 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 4.1 t-20 72.36 5.03 5.18 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.523 0.729 . . . . 61.219999999999999 110.593 -178.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.97 150.3 25.82 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.75 -0.659 . . . . 52.020000000000003 109.481 177.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 46' ' ' VAL . 32.1 tp -124.86 132.03 53.37 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.273 -0.64 . . . . 63.420000000000002 109.273 176.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.6 m -137.66 153.9 49.77 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.71 -0.677 . . . . 71.409999999999997 109.565 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.64 ' HB3' ' CZ3' ' A' ' 95' ' ' TRP . 0.7 OUTLIER -137.09 152.58 50.19 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.228 -0.589 . . . . 74.519999999999996 110.5 178.133 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.512 ' HD2' ' HD1' ' A' ' 44' ' ' TRP . 25.7 m-85 -129.35 167.43 17.77 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.236 -0.893 . . . . 73.25 108.592 -174.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.589 ' HB2' ' CG ' ' A' ' 63' ' ' TYR . 31.6 mmmt -58.02 -35.31 71.09 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 123.538 0.524 . . . . 53.149999999999999 111.413 -179.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.577 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 15.8 t -171.74 -168.44 0.59 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.396 -0.366 . . . . 73.430000000000007 110.043 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.433 ' C ' ' H ' ' A' ' 60' ' ' GLU . 35.4 tt0 -59.76 -28.48 67.43 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 123.349 0.66 . . . . 74.019999999999996 111.538 -173.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.527 ' OD2' ' HB3' ' A' ' 62' ' ' GLU . 12.7 t70 -78.59 48.8 0.82 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.893 0.854 . . . . 75.099999999999994 109.581 178.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 58' ' ' GLU . 3.3 pt-20 -46.13 -32.99 3.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.252 -1.34 . . . . 75.299999999999997 113.236 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 p -58.35 -45.81 87.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.785 0.326 . . . . 65.420000000000002 111.552 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.527 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.4 tp10 -85.29 -47.38 10.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.383 -0.371 . . . . 74.299999999999997 110.728 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.589 ' CG ' ' HB2' ' A' ' 56' ' ' LYS . 18.2 m-85 -60.9 -31.33 70.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.412 0.523 . . . . 74.329999999999998 112.412 -173.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.68 160.06 10.26 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.494 -0.86 . . . . 36.990000000000002 113.449 173.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.9 m -64.28 117.95 7.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.219 0.533 . . . . 72.019999999999996 110.596 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.456 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 24.1 mmt180 -105.18 -6.43 19.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.815 -0.629 . . . . 72.519999999999996 110.844 -178.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -164.63 146.01 10.9 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.318 -0.856 . . . . 63.299999999999997 111.178 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.6 t -151.8 125.64 9.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.866 0.365 . . . . 74.209999999999994 110.818 -178.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.489 HD12 ' CD1' ' A' ' 95' ' ' TRP . 28.6 pt -136.12 153.84 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.121 -0.49 . . . . 73.030000000000001 110.423 176.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 73.5 m -104.93 116.98 32.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.963 -0.562 . . . . 62.240000000000002 110.309 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.683 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . 8.3 mp -78.75 9.3 4.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.834 -0.621 . . . . 72.409999999999997 111.353 -174.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.0 m -66.03 -32.07 73.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.813 -0.63 . . . . 72.25 110.654 176.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -132.69 6.91 4.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.631 -0.713 . . . . 74.310000000000002 110.574 -179.053 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.683 ' HB2' ' HA ' ' A' ' 71' ' ' LEU . . . -79.93 125.59 29.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.917 -0.583 . . . . 75.530000000000001 110.162 177.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.3 t -83.35 120.14 34.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.846 0.355 . . . . 74.430000000000007 111.077 -174.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.529 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 53.7 mt -75.04 118.45 20.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.102 -0.499 . . . . 74.430000000000007 110.009 176.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.471 ' HB ' ' CG ' ' A' ' 87' ' ' ASP . 91.5 m -104.77 96.54 10.76 Favored Pre-proline 0 C--N 1.318 -0.767 0 N-CA-C 109.949 -0.389 . . . . 61.200000000000003 109.949 173.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.529 ' HD3' ' O ' ' A' ' 76' ' ' ILE . 6.1 Cg_exo -78.41 116.49 3.87 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.381 2.054 . . . . 64.5 110.619 176.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.517 ' HB2' ' HD2' ' A' ' 85' ' ' ARG . 4.1 t60 -59.13 132.02 52.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.999 0.428 . . . . 75.129999999999995 109.931 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -78.75 -32.87 46.82 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.25 0.547 . . . . 72.430000000000007 110.447 -173.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -75.99 -26.04 56.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.642 -0.708 . . . . 72.329999999999998 110.819 176.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.484 ' HB2' ' HB3' ' A' ' 85' ' ' ARG . 11.3 m-20 -117.58 107.48 14.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.38 -0.373 . . . . 75.310000000000002 111.105 -176.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 104' ' ' HIS . 47.1 mm-40 -64.59 -22.74 67.05 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.047 -0.524 . . . . 74.329999999999998 111.752 -177.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.628 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 64.4 m -104.02 -10.66 17.9 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.747 -0.381 . . . . 74.120000000000005 111.715 -177.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.517 ' HD2' ' HB2' ' A' ' 79' ' ' HIS . 2.0 ttm180 -93.19 142.29 27.47 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.45 -0.5 . . . . 65.549999999999997 110.933 -175.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.735 ' CE1' ' HB3' ' A' ' 97' ' ' LEU . 1.7 p90 -148.38 158.4 44.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.614 -0.721 . . . . 73.099999999999994 109.462 176.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.471 ' CG ' ' HB ' ' A' ' 77' ' ' THR . 3.4 p30 -137.04 127.33 26.39 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.272 0.558 . . . . 75.349999999999994 110.179 175.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.771 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 42.8 mm -86.05 99.16 7.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.826 -0.624 . . . . 74.120000000000005 110.419 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.0 p -95.72 103.1 14.96 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.563 0.697 . . . . 74.030000000000001 110.954 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.755 HG23 ' H ' ' A' ' 91' ' ' ASN . 7.4 p -117.31 -173.96 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.253 -1.017 . . . . 75.319999999999993 108.253 175.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.755 ' H ' HG23 ' A' ' 90' ' ' VAL . 17.3 m-20 -44.27 101.86 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.492 0.717 . . . . 65.120000000000005 112.002 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.4 t70 51.34 32.2 8.1 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 123.408 0.683 . . . . 65.099999999999994 112.051 177.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.477 ' HB2' ' CG1' ' A' ' 90' ' ' VAL . 39.3 m -146.33 107.44 4.18 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.012 -0.43 . . . . 72.310000000000002 110.579 178.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.8 t -106.77 114.61 46.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.779 -0.452 . . . . 65.299999999999997 109.779 177.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.771 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 21.9 m95 -103.08 96.06 6.54 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.215 -0.448 . . . . 71.519999999999996 111.735 -174.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -73.38 139.78 46.17 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.022 -0.535 . . . . 64.510000000000005 110.12 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.735 ' HB3' ' CE1' ' A' ' 86' ' ' PHE . 45.0 tp -165.07 176.36 8.61 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.782 -0.821 . . . . 71.310000000000002 108.782 175.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.554 ' H ' ' HG ' ' A' ' 97' ' ' LEU . 23.2 ttm-85 -154.72 150.27 27.43 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.692 -0.485 . . . . 61.439999999999998 109.692 -176.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.628 ' HB1' ' HB3' ' A' ' 84' ' ' CYS . . . -67.93 151.98 46.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.257 -0.428 . . . . 61.109999999999999 109.875 174.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.48 ' H ' HE21 ' A' ' 100' ' ' GLN . 0.0 OUTLIER -52.68 -65.27 0.59 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.646 -0.706 . . . . 72.540000000000006 112.183 -177.194 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.464 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 23.6 t70 -175.58 -58.99 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.386 0 N-CA-C 111.906 0.335 . . . . 64.040000000000006 111.906 178.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.464 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 32.4 Cg_endo -64.51 -18.09 61.76 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 122.222 1.948 . . . . 72.120000000000005 113.13 -175.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.6 ' OD1' ' HG3' ' A' ' 106' ' ' GLN . 5.0 t70 -121.2 -179.85 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.43 -0.581 . . . . 73.420000000000002 109.43 178.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.438 ' HB2' ' HG2' ' A' ' 106' ' ' GLN . 55.1 m-70 -129.93 -158.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.652 0.263 . . . . 65.019999999999996 110.322 -172.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.471 ' O ' HG12 ' A' ' 109' ' ' ILE . 8.1 ptt180 -54.6 -25.57 27.19 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.126 -0.488 . . . . 73.040000000000006 111.742 176.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.6 ' HG3' ' OD1' ' A' ' 103' ' ' ASP . 4.7 pt20 -55.0 -26.15 34.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.903 -0.59 . . . . 74.219999999999999 112.403 -178.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.482 ' HG2' ' OD1' ' A' ' 103' ' ' ASP . 13.2 mm-40 -49.18 -56.29 9.71 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 122.335 1.064 . . . . 74.329999999999998 109.964 171.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.555 ' CH2' ' HG2' ' A' ' 26' ' ' ARG . 8.3 m95 -78.95 -39.72 33.79 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 113.77 -1.559 . . . . 74.140000000000001 109.782 -170.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 105' ' ' ARG . 39.8 mm -55.65 -52.78 44.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.959 -0.564 . . . . 73.340000000000003 109.779 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.17 -50.76 69.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.411 -0.359 . . . . 51.539999999999999 111.498 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.78 -55.84 27.65 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-O 121.533 0.682 . . . . 75.099999999999994 111.148 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.675 HG12 HD23 ' A' ' 71' ' ' LEU . 55.1 mt -65.03 -51.55 64.86 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 CA-C-N 115.75 -0.659 . . . . 75.0 110.703 -176.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.64 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 4.9 mm-40 -50.63 -44.67 57.39 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.176 0.512 . . . . 72.239999999999995 111.4 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -76.45 -18.79 58.61 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.087 -0.506 . . . . 55.340000000000003 111.591 -177.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.585 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 11.2 m-70 -97.07 -23.86 16.05 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 114.143 1.164 . . . . 73.510000000000005 114.143 176.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.64 ' HE2' ' O ' ' A' ' 113' ' ' GLU . 0.0 OUTLIER -86.14 169.76 12.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 118.662 0.664 . . . . 73.319999999999993 111.563 -176.622 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 66.9 p . . . . . 0 C--O 1.252 1.235 0 CA-C-N 115.023 -0.99 . . . . 62.420000000000002 110.617 -174.027 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.437 HG21 ' HB3' ' A' ' 27' ' ' CYS . 7.4 p . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 110.003 -0.369 . . . . 72.209999999999994 110.003 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.624 ' HG2' ' HA ' ' A' ' 48' ' ' LYS . 4.0 mm-40 -89.3 -56.21 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.271 0.558 . . . . 54.530000000000001 110.2 -175.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.675 ' HE ' ' HA ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -141.03 119.51 12.3 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.322 -0.621 . . . . 75.349999999999994 109.322 177.84 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.437 ' HB3' HG21 ' A' ' 24' ' ' VAL . 3.6 p -135.88 115.33 12.68 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.471 -0.331 . . . . 74.430000000000007 110.199 -179.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -168.48 163.51 37.23 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 119.861 -1.161 . . . . 61.420000000000002 113.065 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.85 HG12 ' HE3' ' A' ' 44' ' ' TRP . 4.5 m -92.74 143.85 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.893 0.378 . . . . 74.400000000000006 110.566 176.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.588 ' O ' ' HA ' ' A' ' 42' ' ' ASP . 2.5 pt? -139.7 165.57 26.91 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.984 -0.553 . . . . 62.5 110.545 177.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.9 p -97.37 110.77 23.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.409 0.623 . . . . 64.040000000000006 111.345 -174.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -138.82 138.66 37.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.933 -0.576 . . . . 75.430000000000007 109.845 176.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.642 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 19.2 p90 -73.3 141.01 47.16 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.762 -0.459 . . . . 75.310000000000002 109.762 177.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.7 p -92.26 -55.06 3.56 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.903 -0.589 . . . . 74.430000000000007 110.485 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -126.6 -41.86 1.83 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.059 -0.519 . . . . 73.109999999999999 110.534 175.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.642 ' O ' ' HB2' ' A' ' 33' ' ' TRP . 97.5 m-85 -98.84 126.71 44.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 74.0 110.228 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.485 ' HA ' ' CG ' ' A' ' 33' ' ' TRP . 63.4 mt -64.35 -48.32 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 N-CA-C 112.256 0.465 . . . . 71.230000000000004 112.256 -173.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -80.58 -0.33 37.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.19 0.519 . . . . 74.409999999999997 110.993 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.31 60.86 0.31 Allowed Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 110.817 -0.913 . . . . 73.230000000000004 110.817 173.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.601 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 48.2 p90 -76.8 152.9 35.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 110.156 -0.313 . . . . 74.219999999999999 110.156 -178.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -143.91 172.28 13.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.953 0.406 . . . . 74.129999999999995 110.425 179.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.588 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 8.5 p-10 -94.35 136.47 34.61 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.541 -0.754 . . . . 74.239999999999995 110.91 -173.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.565 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 18.9 ptp180 -130.41 150.06 51.81 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.123 -0.944 . . . . 74.329999999999998 109.205 176.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.85 ' HE3' HG12 ' A' ' 29' ' ' VAL . 63.4 t-105 -99.47 120.4 39.56 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 123.463 0.477 . . . . 71.200000000000003 109.964 -175.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.487 HG11 ' HB2' ' A' ' 54' ' ' TYR . 29.0 m -116.5 144.15 24.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.086 0.469 . . . . 74.340000000000003 111.03 -177.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.564 ' O ' HD13 ' A' ' 52' ' ' LEU . 77.2 t -130.0 115.23 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.1 -0.955 . . . . 75.200000000000003 111.247 -176.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -101.09 123.47 45.3 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.64 -0.874 . . . . 74.549999999999997 108.64 175.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.624 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 60.6 pttt -177.77 160.0 1.47 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 110.082 -0.34 . . . . 75.310000000000002 110.082 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 56.67 26.14 10.9 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.281 0.474 . . . . 60.509999999999998 112.281 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.556 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 2.8 t-20 67.89 13.64 9.22 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.381 0.61 . . . . 74.329999999999998 110.479 -177.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -123.39 172.08 8.95 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.744 -0.662 . . . . 75.120000000000005 110.21 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.564 HD13 ' O ' ' A' ' 46' ' ' VAL . 56.0 tp -143.43 138.75 29.55 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.962 -0.563 . . . . 72.409999999999997 109.511 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.6 p -142.77 151.45 41.24 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 110.058 -0.349 . . . . 75.099999999999994 110.058 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.647 ' HB3' ' CZ3' ' A' ' 95' ' ' TRP . 1.4 p90 -131.71 151.42 51.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.47 0.652 . . . . 74.420000000000002 110.922 177.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.488 ' HD1' ' HD1' ' A' ' 44' ' ' TRP . 15.5 m-85 -133.41 173.73 11.16 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.878 -1.055 . . . . 74.430000000000007 109.317 -174.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -62.78 -49.8 73.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.664 -0.698 . . . . 71.409999999999997 111.277 178.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.635 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 50.5 m -147.44 179.79 7.41 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.296 -0.411 . . . . 70.329999999999998 110.44 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.408 ' HG3' ' CH2' ' A' ' 44' ' ' TRP . 38.7 tt0 -60.19 -26.69 66.55 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.967 0.728 . . . . 73.5 112.967 -171.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.547 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 16.3 t70 -52.08 -37.74 54.89 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.054 0.39 . . . . 62.539999999999999 112.054 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 59.46 -63.59 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.286 1.034 . . . . 72.540000000000006 113.629 -173.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.4 t -49.25 -51.9 30.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 114.042 1.127 . . . . 74.329999999999998 114.042 -163.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -100.2 16.27 24.8 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.883 -0.727 . . . . 44.299999999999997 111.267 -177.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.635 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 20.7 m-85 -106.91 -8.04 16.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.625 -0.716 . . . . 73.120000000000005 109.859 172.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.34 -114.61 3.89 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.617 -0.72 . . . . 52.109999999999999 112.428 171.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 41.6 t -169.32 112.88 0.52 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.335 -0.987 . . . . 73.319999999999993 108.335 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -91.35 -11.35 38.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.916 0.389 . . . . 71.109999999999999 111.465 -170.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 178.01 145.22 5.85 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.21 -0.756 . . . . 62.399999999999999 111.21 177.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.5 t -154.81 139.66 17.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.055 0.455 . . . . 75.299999999999997 110.307 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.479 ' HB ' HG12 ' A' ' 90' ' ' VAL . 38.6 pt -134.9 171.22 18.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.677 -0.692 . . . . 74.010000000000005 110.234 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.479 ' HB3' ' HD3' ' A' ' 73' ' ' LYS . 8.8 t -120.88 132.28 54.88 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.783 -0.451 . . . . 73.040000000000006 109.783 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.579 ' HG ' HG12 ' A' ' 112' ' ' ILE . 4.2 mm? -77.82 -1.69 32.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.29 -0.414 . . . . 74.209999999999994 111.484 -176.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.4 m -66.02 -26.94 67.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.212 -0.449 . . . . 63.039999999999999 110.949 177.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.479 ' HD3' ' HB3' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -127.13 -10.33 5.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 72.030000000000001 111.554 -177.761 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.737 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -70.83 141.44 51.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.885 0.374 . . . . 54.530000000000001 111.454 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.5 t -106.16 126.4 61.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.069 -0.514 . . . . 71.010000000000005 110.438 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.423 HD13 ' CD1' ' A' ' 112' ' ' ILE . 59.4 mt -80.64 117.39 26.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.028 -0.533 . . . . 63.420000000000002 110.011 177.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.68 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 6.5 m -111.57 99.43 44.52 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 116.133 -0.485 . . . . 74.340000000000003 110.637 -177.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -65.14 134.8 40.9 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.47 2.114 . . . . 74.450000000000003 112.201 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -86.47 114.72 23.46 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.043 -0.725 . . . . 75.329999999999998 109.043 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -75.26 -30.4 60.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.76 0.314 . . . . 71.340000000000003 111.208 -173.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -70.07 -15.4 62.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.246 0.546 . . . . 74.310000000000002 109.812 174.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -115.5 -174.32 2.49 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.204 -1.036 . . . . 65.430000000000007 108.204 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -134.27 -19.44 1.94 Allowed 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.166 0.508 . . . . 71.349999999999994 109.923 178.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.711 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 59.1 m -122.46 1.42 9.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.741 -0.663 . . . . 61.149999999999999 110.951 -177.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.502 ' HB2' ' HG3' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -95.59 133.0 40.14 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.425 0.631 . . . . 52.109999999999999 111.081 -179.709 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -138.9 118.17 12.73 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.938 -1.028 . . . . 74.209999999999994 110.421 -174.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.68 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 12.9 t70 -90.28 119.3 30.47 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.814 -1.084 . . . . 74.25 110.11 -176.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.829 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 20.2 mm -96.73 110.24 24.48 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 N-CA-C 109.488 -0.56 . . . . 72.109999999999999 109.488 -178.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.8 p -115.45 123.32 48.3 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 119.767 -0.773 . . . . 74.030000000000001 111.506 -176.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.741 HG23 HD21 ' A' ' 91' ' ' ASN . 9.2 p -164.04 136.63 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.342 -0.845 . . . . 72.129999999999995 109.401 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.741 HD21 HG23 ' A' ' 90' ' ' VAL . 28.0 m-80 60.02 23.55 12.71 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.019 0.378 . . . . 70.530000000000001 112.019 178.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.515 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 13.7 t70 75.09 -7.35 1.78 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.717 0.635 . . . . 72.239999999999995 111.285 -174.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.9 m -79.09 119.58 22.42 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.161 -0.681 . . . . 71.439999999999998 109.161 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.39 120.09 59.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.144 -0.48 . . . . 64.040000000000006 110.729 -175.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.829 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 35.2 m95 -115.09 106.84 14.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.955 0.407 . . . . 72.530000000000001 111.024 -175.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -83.18 94.23 7.82 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.581 -0.281 . . . . 73.439999999999998 110.687 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.14 153.01 17.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.368 -0.378 . . . . 75.150000000000006 110.097 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.502 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 7.1 ttp85 -149.67 146.68 27.39 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.887 -0.412 . . . . 75.109999999999999 109.887 176.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.711 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . . . -68.19 152.8 44.93 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.17 -0.468 . . . . 74.120000000000005 110.055 174.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.843 ' HG2' ' HB3' ' A' ' 103' ' ' ASP . 1.2 mm-40 -70.95 -68.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.977 -0.379 . . . . 73.439999999999998 109.977 -176.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.511 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 28.2 t70 -167.6 -61.86 0.01 OUTLIER Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.307 -0.406 . . . . 72.239999999999995 111.038 175.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.511 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 60.1 Cg_endo -76.21 -30.31 5.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 121.551 1.501 . . . . 70.120000000000005 109.755 170.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.843 ' HB3' ' HG2' ' A' ' 100' ' ' GLN . 4.9 t70 -65.06 145.31 56.48 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 113.661 -1.608 . . . . 73.519999999999996 108.796 170.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.461 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 42.6 m80 -143.19 -178.37 5.82 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 121.22 -0.192 . . . . 73.340000000000003 111.066 -177.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.83 -26.42 24.24 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.894 0.701 . . . . 74.109999999999999 112.894 -171.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -56.67 -24.3 47.88 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.032 0.382 . . . . 65.109999999999999 112.032 -174.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.488 ' HG3' ' OD2' ' A' ' 103' ' ' ASP . 13.9 mm100 -57.49 -48.47 79.13 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.223 0.535 . . . . 73.340000000000003 109.634 177.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.508 ' CH2' ' HG2' ' A' ' 26' ' ' ARG . 13.9 m95 -72.09 -48.38 44.44 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.33 -0.85 . . . . 74.420000000000002 109.426 -174.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 26.5 mm -56.01 -56.28 13.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.178 -0.919 . . . . 65.140000000000001 110.316 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -60.48 -50.87 71.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.752 -0.658 . . . . 62.450000000000003 111.297 -177.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.96 -55.13 34.11 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.194 0.521 . . . . 74.519999999999996 111.031 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.579 HG12 ' HG ' ' A' ' 71' ' ' LEU . 61.1 mt -65.89 -51.88 55.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.994 -0.548 . . . . 73.340000000000003 111.396 -175.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -60.43 -29.25 68.89 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.05 0.389 . . . . 73.319999999999993 112.05 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -86.33 -23.19 26.33 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.709 -0.396 . . . . 74.319999999999993 111.778 177.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.556 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 58.1 m-70 -94.58 -18.22 21.61 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.506 0.928 . . . . 73.209999999999994 113.506 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.462 ' HE3' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -63.26 160.88 14.81 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.114 0.483 . . . . 74.510000000000005 111.948 -177.234 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.633 -1.175 . . . . 75.049999999999997 109.193 -176.172 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 110.384 -0.228 . . . . 75.439999999999998 110.384 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -76.48 -55.02 5.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.431 0.634 . . . . 71.299999999999997 110.122 -178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.711 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 7.4 tpm_? -136.8 121.24 18.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.685 -0.689 . . . . 72.129999999999995 110.494 175.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.2 p -127.46 116.97 21.24 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.245 -1.02 . . . . 70.510000000000005 108.245 170.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.54 169.88 40.81 Favored Glycine 0 CA--C 1.506 -0.506 0 C-N-CA 119.746 -1.216 . . . . 74.510000000000005 112.713 -178.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.593 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 5.4 m -92.24 136.21 25.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.445 0.64 . . . . 75.109999999999999 111.804 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.8 tp -108.13 118.91 38.0 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.96 -1.018 . . . . 73.040000000000006 108.914 175.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -88.46 102.05 14.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.933 -0.576 . . . . 74.310000000000002 110.491 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.545 ' HE3' ' CZ3' ' A' ' 33' ' ' TRP . 32.3 tptt -152.88 -175.43 5.31 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.741 -0.837 . . . . 75.349999999999994 108.741 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.545 ' CZ3' ' HE3' ' A' ' 32' ' ' LYS . 33.0 p90 -70.66 70.04 0.45 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 122.515 1.15 . . . . 71.510000000000005 111.804 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.727 ' HB ' ' HB3' ' A' ' 41' ' ' GLN . 52.1 m -62.77 -32.26 73.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.784 -1.098 . . . . 71.450000000000003 109.038 171.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -138.79 143.83 39.1 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 114.299 -1.319 . . . . 72.140000000000001 108.736 174.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' A' ' 33' ' ' TRP . 68.4 m-85 65.4 -168.23 0.21 Allowed 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.427 0.455 . . . . 74.420000000000002 110.604 -176.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 66.6 mt -116.2 -50.69 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.225 0.536 . . . . 71.420000000000002 109.959 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -74.2 -38.44 63.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.769 -0.65 . . . . 74.420000000000002 110.149 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.97 157.9 52.71 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.756 -0.735 . . . . 70.120000000000005 111.753 177.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -133.53 150.02 51.68 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.676 0.274 . . . . 75.109999999999999 110.282 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.727 ' HB3' ' HB ' ' A' ' 34' ' ' THR . 7.6 tt0 -138.8 165.05 28.02 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.123 -1.065 . . . . 75.040000000000006 108.123 171.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.593 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 8.2 p-10 -93.25 132.37 37.49 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.097 0.475 . . . . 72.010000000000005 110.291 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.466 ' HD2' ' CD2' ' A' ' 54' ' ' TYR . 25.4 ptt180 -122.76 150.72 42.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.842 -0.617 . . . . 75.030000000000001 109.737 177.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.416 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 61.9 t-105 -92.49 116.99 29.48 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.726 -0.389 . . . . 70.209999999999994 110.938 -171.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.1 m -110.61 140.12 31.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.145 0.497 . . . . 62.229999999999997 110.775 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 42.1 t -131.59 124.71 54.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.314 -0.857 . . . . 70.299999999999997 111.045 -177.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.1 tp -109.37 127.42 54.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.047 -0.524 . . . . 54.399999999999999 110.224 176.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -163.22 156.92 19.75 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.62 -0.264 . . . . 64.430000000000007 110.418 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.701 ' O ' ' HB3' ' A' ' 115' ' ' HIS . 14.9 m120 70.42 -74.29 0.09 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.729 0.812 . . . . 75.420000000000002 110.563 -179.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -176.71 22.71 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 106.543 -1.651 . . . . 63.119999999999997 106.543 171.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.19 147.02 51.87 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.064 -1.425 . . . . 72.549999999999997 110.306 -173.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' A' ' 68' ' ' SER . 30.9 tp -113.95 133.76 55.27 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.838 -0.619 . . . . 74.400000000000006 109.948 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 m -127.23 166.52 17.58 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.034 -0.53 . . . . 73.430000000000007 109.599 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.466 ' CD2' ' HD2' ' A' ' 43' ' ' ARG . 1.4 p90 -150.25 150.7 31.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.324 0.583 . . . . 64.109999999999999 111.257 175.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -131.22 179.64 5.89 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.798 -1.092 . . . . 72.540000000000006 108.548 -178.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.424 ' HB2' ' CD1' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -64.43 -44.37 91.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.627 0.251 . . . . 74.420000000000002 111.566 177.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.7 t -162.74 -171.32 2.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.555 -0.293 . . . . 72.450000000000003 110.45 -176.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.61 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 22.7 tt0 -54.57 -37.14 65.13 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.036 0.754 . . . . 74.420000000000002 113.036 -173.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.583 ' OD1' ' HG2' ' A' ' 62' ' ' GLU . 11.4 t70 -47.58 -46.06 27.77 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.472 0.545 . . . . 70.209999999999994 112.472 -174.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.61 ' HG3' ' O ' ' A' ' 58' ' ' GLU . 38.5 mt-10 62.98 -51.42 0.19 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.476 1.11 . . . . 73.439999999999998 113.774 -176.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.1 t -61.33 -40.22 93.44 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.288 0.847 . . . . 65.329999999999998 113.288 -166.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.583 ' HG2' ' OD1' ' A' ' 59' ' ' ASP . 11.0 pt-20 -89.87 6.85 40.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.49 0.662 . . . . 63.210000000000001 110.103 -179.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.525 ' CE2' ' HB3' ' A' ' 59' ' ' ASP . 22.4 m-85 -108.12 -33.12 7.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.198 -0.91 . . . . 73.200000000000003 110.131 178.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.02 -86.27 1.28 Allowed Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.218 -0.753 . . . . 54.409999999999997 111.218 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.2 t -172.13 133.2 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.537 -0.912 . . . . 73.319999999999993 108.537 174.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.519 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 9.9 mmm180 -96.38 -33.17 12.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.013 0.435 . . . . 74.340000000000003 110.909 -176.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -169.57 155.6 25.84 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.728 -0.748 . . . . 50.310000000000002 111.808 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 51.7 p -155.81 134.6 11.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.529 0.204 . . . . 65.329999999999998 110.784 -178.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.7 pt -127.46 157.07 39.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.38 -0.373 . . . . 64.140000000000001 110.359 178.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.511 ' HB3' ' HE2' ' A' ' 73' ' ' LYS . 39.7 t -102.53 133.45 47.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.868 0.366 . . . . 72.230000000000004 110.124 177.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.557 HD12 ' HB1' ' A' ' 74' ' ' ALA . 4.3 mm? -80.66 4.78 17.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.239 -0.437 . . . . 51.549999999999997 111.279 -178.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.2 t -77.89 -23.24 48.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.925 0.393 . . . . 62.200000000000003 110.241 177.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.511 ' HE2' ' HB3' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -133.21 11.23 4.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.308 -0.405 . . . . 73.310000000000002 111.126 177.635 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.557 ' HB1' HD12 ' A' ' 71' ' ' LEU . . . -94.73 128.49 41.45 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.427 -0.583 . . . . 71.010000000000005 109.427 175.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.4 t -90.56 123.67 42.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.853 0.359 . . . . 73.140000000000001 111.173 -176.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.442 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 57.1 mt -82.38 104.63 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.12 -0.491 . . . . 74.230000000000004 110.021 174.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.793 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 8.9 m -98.3 104.56 23.9 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 116.074 -0.512 . . . . 73.030000000000001 110.337 177.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 76' ' ' ILE . 33.7 Cg_exo -61.44 128.87 26.14 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.516 2.144 . . . . 74.040000000000006 111.781 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.767 ' HB3' ' HB3' ' A' ' 85' ' ' ARG . 4.4 t60 -86.48 141.28 29.21 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.757 -0.831 . . . . 75.329999999999998 108.757 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -93.59 -42.82 9.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.994 0.426 . . . . 55.329999999999998 111.161 -174.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -60.51 -26.21 66.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.661 -0.7 . . . . 73.430000000000007 110.563 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.737 ' HB3' ' HB2' ' A' ' 85' ' ' ARG . 26.1 t0 -128.99 121.84 28.81 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 108.894 -0.78 . . . . 72.420000000000002 108.894 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.53 -19.18 60.97 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 123.68 0.612 . . . . 73.030000000000001 110.357 -176.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.666 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . 67.2 m -103.84 -2.96 25.5 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.685 -0.689 . . . . 62.409999999999997 111.135 -177.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.767 ' HB3' ' HB3' ' A' ' 79' ' ' HIS . 1.4 tpp180 -87.63 136.84 32.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 64.230000000000004 111.966 -177.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.757 ' HE2' ' HB2' ' A' ' 105' ' ' ARG . 42.2 m-85 -135.39 125.52 26.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.23 0.538 . . . . 72.109999999999999 110.676 174.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.793 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 9.4 t70 -92.49 103.08 15.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.171 -0.922 . . . . 70.150000000000006 110.019 -178.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.809 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 29.0 mm -91.04 93.07 4.17 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 CA-C-N 115.839 -0.619 . . . . 72.510000000000005 110.207 -178.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.26 107.82 17.72 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 121.816 0.817 . . . . 60.409999999999997 112.186 -174.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.684 HG23 ' H ' ' A' ' 91' ' ' ASN . 9.8 p -100.24 -174.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 106.66 -1.607 . . . . 65.349999999999994 106.66 167.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.684 ' H ' HG23 ' A' ' 90' ' ' VAL . 1.3 p-10 -55.72 121.39 9.04 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 118.794 0.725 . . . . 65.099999999999994 110.865 175.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.7 t70 75.32 -39.78 0.41 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.286 -1.324 . . . . 72.519999999999996 112.693 173.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.4 m -97.13 122.33 40.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 75.409999999999997 111.732 -171.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.9 t -118.0 121.4 67.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.962 -0.563 . . . . 75.319999999999993 110.077 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.809 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 30.4 m95 -112.72 105.21 13.3 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.677 0.275 . . . . 72.099999999999994 110.648 -175.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -80.67 83.76 6.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.422 -0.354 . . . . 74.0 110.262 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.1 mt -84.46 161.21 20.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.118 -0.492 . . . . 72.140000000000001 109.909 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.475 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 5.2 ttt180 -157.3 151.93 25.38 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.874 -0.33 . . . . 72.549999999999997 110.432 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.666 ' HB2' ' HB3' ' A' ' 84' ' ' CYS . . . -62.53 139.94 58.62 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.39 -0.596 . . . . 63.420000000000002 109.39 171.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.8 -66.9 0.65 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.281 -0.418 . . . . 63.420000000000002 110.772 -174.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.799 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 12.4 t70 -171.91 -57.79 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.1 -0.5 . . . . 72.150000000000006 110.477 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.799 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 5.8 Cg_exo -79.49 -46.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.02 1.813 . . . . 73.430000000000007 110.652 172.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.448 ' HB3' ' HG3' ' A' ' 107' ' ' GLN . 6.4 m-20 -70.23 123.43 21.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.159 -0.928 . . . . 65.510000000000005 110.281 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.668 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 30.8 m170 -81.53 163.77 22.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.013 -0.54 . . . . 72.420000000000002 110.191 -177.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.757 ' HB2' ' HE2' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -59.07 -25.67 63.96 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 112.143 0.423 . . . . 54.32 112.143 -175.865 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -64.2 -5.62 5.26 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.99 0.367 . . . . 64.099999999999994 111.99 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.668 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 12.7 mm100 -51.42 -46.73 63.04 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.109 -0.7 . . . . 70.409999999999997 109.109 170.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.711 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 14.1 m95 -68.83 -46.84 67.52 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.347 -0.842 . . . . 74.319999999999993 109.281 -176.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 23.8 mm -57.49 -60.4 2.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.147 -0.933 . . . . 72.510000000000005 110.289 -177.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.8 -51.55 69.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.242 -0.435 . . . . 73.409999999999997 110.997 -176.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.11 -57.68 11.52 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.968 0.413 . . . . 72.340000000000003 111.031 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 49.8 mt -62.96 -53.07 51.3 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.66 0 CA-C-N 116.412 -0.358 . . . . 75.530000000000001 110.942 -176.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -55.73 -36.0 66.77 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.704 0.288 . . . . 72.340000000000003 111.599 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -76.85 -30.36 56.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.742 0.306 . . . . 62.530000000000001 111.172 177.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.701 ' HB3' ' O ' ' A' ' 49' ' ' ASN . 10.0 m-70 -90.15 -20.26 23.29 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.805 1.039 . . . . 74.510000000000005 113.805 -175.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.44 ' H ' ' HG3' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -76.68 159.09 30.51 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.588 0.709 . . . . 43.32 112.221 -176.658 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 46.4 p . . . . . 0 C--O 1.25 1.104 0 CA-C-N 114.803 -1.09 . . . . 72.200000000000003 110.543 -177.037 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 121.075 0.464 . . . . 75.340000000000003 110.021 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -97.07 -46.54 6.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.794 -0.639 . . . . 55.240000000000002 111.64 -172.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 3.9 tpm_? -141.67 122.95 14.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.44 -0.346 . . . . 72.109999999999999 110.451 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.2 p -146.52 101.75 3.5 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.178 -0.465 . . . . 73.329999999999998 110.26 174.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.96 167.67 39.53 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.63 -0.795 . . . . 50.149999999999999 112.363 -176.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.852 HG11 ' HE3' ' A' ' 44' ' ' TRP . 2.9 m -84.79 132.85 30.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.529 0.681 . . . . 74.329999999999998 111.74 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.552 HD22 HD12 ' A' ' 97' ' ' LEU . 61.7 tp -110.75 126.72 54.88 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.098 -0.955 . . . . 74.299999999999997 109.353 177.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.544 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 14.4 p -85.76 114.9 23.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.939 0.399 . . . . 60.310000000000002 110.817 178.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.449 ' HZ2' ' NH2' ' A' ' 85' ' ' ARG . 48.2 tptt -148.19 159.85 43.53 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.742 -0.836 . . . . 61.439999999999998 108.742 178.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.492 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -61.7 145.04 53.59 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.009 0.433 . . . . 74.209999999999994 110.257 -176.54 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.35 -138.83 0.38 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.741 -0.663 . . . . 72.420000000000002 109.579 -176.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -84.71 18.63 2.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.264 0.555 . . . . 71.519999999999996 110.73 178.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -138.33 137.95 37.87 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.692 -0.855 . . . . 61.240000000000002 108.692 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.467 HG22 ' H ' ' A' ' 38' ' ' HIS . 5.7 tp -54.57 -57.25 6.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 112.939 0.718 . . . . 72.209999999999994 112.939 -172.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.467 ' H ' HG22 ' A' ' 37' ' ' ILE . 8.3 p80 -95.33 17.05 15.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.462 0.649 . . . . 74.140000000000001 109.743 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -97.0 65.83 0.94 Allowed Glycine 0 N--CA 1.442 -0.966 0 CA-C-N 115.384 -0.826 . . . . 70.510000000000005 112.04 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.492 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 25.8 p90 -74.82 112.37 10.96 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.357 -0.609 . . . . 71.319999999999993 109.357 174.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.544 ' O ' ' HA ' ' A' ' 31' ' ' SER . 16.8 mm-40 -109.52 176.29 5.13 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.09 -0.505 . . . . 55.43 110.845 -175.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.625 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 42.2 m-20 -103.96 116.31 32.02 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.115 -0.948 . . . . 73.549999999999997 109.878 -178.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.7 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 11.6 ptm180 -107.94 132.52 53.4 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.704 -0.68 . . . . 74.109999999999999 109.662 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.852 ' HE3' HG11 ' A' ' 29' ' ' VAL . 68.5 t-105 -81.07 110.1 16.27 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.506 -0.553 . . . . 71.129999999999995 109.506 -176.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.583 HG12 HD11 ' A' ' 97' ' ' LEU . 3.0 t -108.65 128.34 64.43 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-O 121.21 0.529 . . . . 73.450000000000003 111.101 -173.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.564 ' O ' HD12 ' A' ' 52' ' ' LEU . 45.9 t -124.52 125.14 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.238 -0.892 . . . . 74.120000000000005 111.082 -178.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.442 HD21 HD11 ' A' ' 52' ' ' LEU . 3.3 tm? -121.9 119.45 31.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.813 -0.63 . . . . 70.439999999999998 109.839 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -174.88 179.66 1.59 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.237 0.335 . . . . 75.109999999999999 111.069 175.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 62.68 -75.92 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.45 0.7 . . . . 63.299999999999997 111.185 -175.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 3.7 t-20 -179.75 28.72 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 105.811 -1.922 . . . . 71.030000000000001 105.811 172.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -139.31 151.35 46.34 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 113.987 -1.46 . . . . 74.209999999999994 110.662 -173.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 46' ' ' VAL . 62.5 tp -120.28 132.15 55.2 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.789 -1.096 . . . . 74.409999999999997 108.711 177.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.503 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 20.3 m -141.67 135.38 29.84 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.414 -0.357 . . . . 64.340000000000003 110.08 -174.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.7 ' HD2' ' HB2' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -127.06 154.7 44.35 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.421 -0.512 . . . . 75.120000000000005 110.841 -179.127 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.433 ' CD1' ' HD1' ' A' ' 44' ' ' TRP . 10.1 m-85 -135.02 175.26 9.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.432 -0.803 . . . . 72.219999999999999 109.792 -172.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.546 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . 3.4 mmpt? -61.85 -53.01 61.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 71.120000000000005 111.319 178.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.551 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 69.9 m -154.75 -164.25 1.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.63 -0.259 . . . . 70.450000000000003 110.726 -178.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -66.81 -33.64 76.06 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.331 0.493 . . . . 75.239999999999995 112.331 -168.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -78.14 53.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 122.184 0.993 . . . . 74.329999999999998 109.262 175.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.73 -20.36 3.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.048 -1.433 . . . . 73.340000000000003 113.728 -177.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.7 t -64.77 -45.63 85.56 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.611 0.226 . . . . 74.409999999999997 111.611 -178.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -86.96 -24.79 24.62 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.224 0.535 . . . . 64.25 110.393 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 18.5 m-85 -78.31 -23.41 47.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.122 -0.49 . . . . 74.430000000000007 111.697 -175.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.36 153.12 3.78 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.998 -0.62 . . . . 70.319999999999993 113.211 173.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.4 p -71.92 104.59 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.44 0.638 . . . . 65.150000000000006 110.395 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.447 ' HA ' ' HD3' ' A' ' 66' ' ' ARG . 20.4 mmt180 -77.26 -40.62 44.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.24 -0.891 . . . . 72.340000000000003 110.464 -177.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.503 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -134.98 130.46 5.48 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 110.515 -1.034 . . . . 61.119999999999997 110.515 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.4 p -144.59 115.28 7.72 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.17 0.509 . . . . 74.120000000000005 110.277 -176.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.458 HD12 ' CD1' ' A' ' 95' ' ' TRP . 18.7 pt -121.22 151.42 24.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.898 -0.592 . . . . 72.219999999999999 111.654 -177.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 67.7 m -99.35 122.9 43.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.222 -0.899 . . . . 53.240000000000002 109.549 178.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.971 HD21 HG12 ' A' ' 112' ' ' ILE . 7.9 mp -85.98 27.24 0.91 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.803 -0.635 . . . . 75.219999999999999 111.288 -173.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.8 m -78.38 -28.95 47.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.805 -0.634 . . . . 63.409999999999997 110.051 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.72 14.69 3.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.575 -0.739 . . . . 74.349999999999994 110.582 -177.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.8 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -71.74 124.85 25.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.763 -0.653 . . . . 74.0 110.743 177.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.8 t -85.39 119.2 33.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.842 -0.617 . . . . 75.120000000000005 110.569 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.3 mt -80.68 108.84 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.26 0.552 . . . . 73.219999999999999 109.855 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.7 m -113.5 108.02 52.56 Favored Pre-proline 0 C--N 1.316 -0.868 0 CA-C-N 115.423 -0.808 . . . . 73.150000000000006 111.175 -174.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -59.9 131.19 38.26 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.047 1.831 . . . . 72.219999999999999 110.681 174.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.499 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 32.5 t60 -76.96 153.45 34.58 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.965 -0.694 . . . . 75.530000000000001 109.972 -178.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.15 -69.28 0.54 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.99 -0.55 . . . . 74.209999999999994 111.113 -172.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -70.62 -34.86 72.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.152 0.501 . . . . 75.319999999999993 111.071 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.499 ' H ' ' HD2' ' A' ' 79' ' ' HIS . 7.7 m-20 -98.45 113.68 25.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.016 -0.538 . . . . 73.109999999999999 109.884 -177.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -82.35 -27.12 32.36 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.124 0.488 . . . . 65.140000000000001 110.903 -176.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 98' ' ' ARG . 20.1 m -86.69 1.2 52.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.342 0.591 . . . . 65.120000000000005 109.556 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.812 ' HD2' ' HB3' ' A' ' 96' ' ' TYR . 9.7 tpp180 -104.87 129.35 53.22 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.989 -1.005 . . . . 72.5 111.193 -175.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.521 ' CE1' ' HG3' ' A' ' 105' ' ' ARG . 5.4 m-85 -127.92 125.84 40.35 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.255 -0.884 . . . . 74.319999999999993 109.027 174.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.48 ' HA ' ' O ' ' A' ' 95' ' ' TRP . 27.4 t0 -102.21 129.07 48.5 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.023 -0.989 . . . . 70.25 111.002 -173.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.59 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 4.3 mp -104.73 106.77 21.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 CA-C-N 114.658 -1.156 . . . . 72.439999999999998 109.372 -176.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.8 m -106.74 116.38 31.83 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.434 0.635 . . . . 73.430000000000007 111.352 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.8 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 11.5 p -159.16 145.76 7.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 108.554 -0.906 . . . . 62.350000000000001 108.554 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 12.3 m120 63.94 21.16 12.52 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.456 0.169 . . . . 74.349999999999994 111.456 177.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 31.4 t70 72.05 -1.07 3.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.438 0.637 . . . . 54.310000000000002 110.669 -172.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.3 m -89.28 128.29 35.85 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 109.659 -0.497 . . . . 63.009999999999998 109.659 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.4 t -110.28 122.73 65.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.706 -0.679 . . . . 72.209999999999994 110.426 -175.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.659 ' HZ3' ' HB3' ' A' ' 54' ' ' TYR . 44.0 m95 -119.46 101.59 8.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.776 0.322 . . . . 74.439999999999998 111.858 -174.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.812 ' HB3' ' HD2' ' A' ' 85' ' ' ARG . 52.6 m-85 -83.83 91.94 7.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.599 -0.273 . . . . 71.420000000000002 110.908 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.583 HD11 HG12 ' A' ' 45' ' ' VAL . 4.3 mm? -96.32 159.69 14.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.74 0.305 . . . . 71.109999999999999 110.988 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 3.2 mtm180 -135.33 149.77 49.82 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.03 -0.359 . . . . 75.299999999999997 110.03 176.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.84 142.69 51.24 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.8 -0.444 . . . . 71.109999999999999 109.8 175.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.41 -56.72 15.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 72.319999999999993 110.336 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -104.62 138.97 19.66 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 108.805 -0.813 . . . . 62.329999999999998 108.805 168.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.453 ' HB2' ' H ' ' A' ' 103' ' ' ASP . 33.6 Cg_exo -26.69 -92.95 0.0 OUTLIER 'Trans proline' 0 CA--C 1.534 0.521 1 C-N-CA 125.698 4.265 . . . . 64.030000000000001 116.986 -164.471 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.453 ' H ' ' HB2' ' A' ' 102' ' ' PRO . 10.9 p-10 -100.28 96.57 7.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.795 0.807 . . . . 72.040000000000006 112.988 -167.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.405 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 8.3 p-80 -173.29 55.11 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 122.578 1.18 . . . . 75.409999999999997 108.352 168.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.521 ' HG3' ' CE1' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -70.1 -2.09 11.9 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 114.797 -1.092 . . . . 75.200000000000003 112.435 -171.023 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -53.26 -17.33 1.68 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.424 -0.353 . . . . 75.430000000000007 111.836 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -50.83 -52.42 41.46 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.075 0.464 . . . . 74.439999999999998 110.338 173.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.443 ' O ' HG13 ' A' ' 112' ' ' ILE . 14.6 m95 -71.91 -42.88 66.21 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.565 -0.743 . . . . 74.340000000000003 109.62 -174.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 28.1 mm -58.77 -60.73 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.365 -0.834 . . . . 75.140000000000001 109.98 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -54.41 -48.0 72.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.819 -0.628 . . . . 63.130000000000003 111.401 -179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.96 -62.29 1.75 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.465 -0.334 . . . . 74.140000000000001 110.928 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.971 HG12 HD21 ' A' ' 71' ' ' LEU . 26.1 mt -62.88 -50.37 79.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.624 0 C-N-CA 121.049 -0.26 . . . . 75.109999999999999 110.859 -175.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.564 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 7.6 mm-40 -55.06 -37.98 67.44 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.848 0.356 . . . . 72.010000000000005 111.69 -177.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -85.58 -17.65 35.64 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.811 0.339 . . . . 70.329999999999998 111.461 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -91.43 -29.84 16.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.305 0.854 . . . . 72.329999999999998 113.305 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.615 ' C ' ' HE3' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -86.24 179.45 6.91 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.436 -0.506 . . . . 73.109999999999999 111.439 -176.483 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 C--O 1.251 1.138 0 CA-C-N 115.977 -0.556 . . . . 74.120000000000005 110.09 -178.307 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 p . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 121.163 0.506 . . . . 64.400000000000006 111.117 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.766 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 9.2 pt-20 -70.67 145.75 50.39 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.911 -1.041 . . . . 71.109999999999999 111.103 175.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 2.8 tpm_? -110.16 111.57 22.99 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.428 -0.953 . . . . 64.209999999999994 108.428 165.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.608 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 2.3 p -118.8 109.21 15.78 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 123.573 0.546 . . . . 61.43 110.218 -177.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -161.58 161.89 33.51 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.337 -0.935 . . . . 62.329999999999998 112.415 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.865 HG11 ' HE3' ' A' ' 44' ' ' TRP . 0.3 OUTLIER -88.18 133.17 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.733 0.778 . . . . 74.540000000000006 111.709 179.793 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.43 HD23 HD23 ' A' ' 97' ' ' LEU . 57.6 tp -104.56 119.86 39.95 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.76 -1.109 . . . . 75.129999999999995 109.576 177.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.8 m -83.56 98.92 9.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.852 -0.613 . . . . 62.140000000000001 109.907 176.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HE3' ' CD1' ' A' ' 96' ' ' TYR . 25.5 tptp -137.4 137.54 38.93 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.496 -0.557 . . . . 72.25 109.496 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.953 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 43.2 p90 -59.21 126.63 28.47 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.716 0.77 . . . . 75.530000000000001 110.342 -177.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.507 ' OG1' ' HB2' ' A' ' 41' ' ' GLN . 54.5 m -118.48 -37.27 3.34 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.684 -1.144 . . . . 71.209999999999994 111.474 -167.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.898 ' HB3' ' HB2' ' A' ' 38' ' ' HIS . 25.1 t-20 -142.33 152.81 43.29 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.31 -0.405 . . . . 71.329999999999998 110.271 -177.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -55.74 -61.12 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.973 0.416 . . . . 75.510000000000005 111.496 -178.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.3 tt -88.32 -2.66 9.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.405 0.621 . . . . 54.200000000000003 111.185 -171.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.898 ' HB2' ' HB3' ' A' ' 35' ' ' ASN . 60.3 m-70 -101.43 -20.45 15.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.149 -0.478 . . . . 73.319999999999993 111.167 177.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.08 -136.83 20.35 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.718 -0.753 . . . . 72.430000000000007 112.193 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.953 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 49.2 p90 -89.24 131.25 35.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.012 0.434 . . . . 75.409999999999997 110.307 179.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.507 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 2.0 mp0 -106.22 157.51 17.53 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.806 -0.442 . . . . 64.099999999999994 109.806 177.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.429 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 16.1 m-20 -106.49 96.12 6.23 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.507 -0.77 . . . . 72.140000000000001 109.335 -178.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.489 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 16.7 ptp180 -93.37 139.24 30.89 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.413 -0.812 . . . . 75.450000000000003 110.387 -175.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.865 ' HE3' HG11 ' A' ' 29' ' ' VAL . 67.3 t-105 -94.05 112.12 23.91 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.487 -0.485 . . . . 75.019999999999996 110.747 -171.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.731 HG21 HD11 ' A' ' 97' ' ' LEU . 17.1 m -105.25 142.78 17.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 120.924 0.393 . . . . 72.420000000000002 110.917 -174.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 52.9 t -131.03 117.04 35.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.491 -0.777 . . . . 61.350000000000001 110.804 178.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.766 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 5.7 tt -108.24 105.83 15.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.458 -0.337 . . . . 75.519999999999996 110.152 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 49' ' ' ASN . 57.6 tttt -162.3 168.38 22.37 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.814 -0.439 . . . . 63.43 109.814 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 48' ' ' LYS . 16.6 m120 71.38 -72.63 0.11 Allowed 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.17 -0.678 . . . . 62.219999999999999 109.17 -172.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.563 ' HA ' ' HB3' ' A' ' 115' ' ' HIS . 3.5 t-20 177.5 23.78 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.207 -1.405 . . . . 75.209999999999994 107.207 170.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -133.86 147.14 51.14 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 114.658 -1.155 . . . . 72.109999999999999 110.175 -176.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' A' ' 47' ' ' LEU . 63.8 tp -109.81 125.56 52.86 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.619 -0.882 . . . . 74.530000000000001 108.619 173.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 8.6 m -133.87 131.85 39.65 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.022 -0.535 . . . . 65.319999999999993 109.751 -172.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.489 ' HD2' ' HB2' ' A' ' 43' ' ' ARG . 3.6 p90 -116.35 152.91 32.95 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.001 -0.68 . . . . 75.420000000000002 111.448 -177.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -122.85 170.53 10.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.073 -0.967 . . . . 75.140000000000001 108.877 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 63' ' ' TYR . 3.4 tmtp? -60.28 -43.04 96.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.806 -0.633 . . . . 73.540000000000006 110.591 -178.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.631 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 41.2 m -154.72 -178.99 7.59 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.572 -0.285 . . . . 72.340000000000003 110.891 -178.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 38.8 tt0 -59.32 -29.43 67.63 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.947 0.721 . . . . 64.329999999999998 112.947 -172.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.607 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 12.6 t70 -56.21 -31.61 63.64 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.808 0.299 . . . . 75.519999999999996 111.808 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 58' ' ' GLU . 30.6 mt-10 63.22 -65.35 0.1 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.143 0.977 . . . . 73.140000000000001 113.387 -177.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.7 t -57.47 -50.01 74.42 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.824 1.046 . . . . 70.120000000000005 113.824 -163.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.56 ' HG2' ' OD2' ' A' ' 59' ' ' ASP . 8.1 pt-20 -84.92 1.46 47.18 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.426 -0.51 . . . . 72.219999999999999 111.215 -175.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.631 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 38.3 m-85 -104.62 -29.77 10.41 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.193 -0.458 . . . . 74.109999999999999 111.046 -179.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.55 162.22 13.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.081 -0.58 . . . . 71.099999999999994 112.908 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.8 p -76.66 115.73 16.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.289 0.566 . . . . 73.120000000000005 109.886 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -88.6 -22.78 23.32 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.683 -0.69 . . . . 65.209999999999994 111.261 -174.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.424 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -167.41 149.64 15.19 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.498 -0.641 . . . . 61.299999999999997 111.498 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 12.6 p -150.96 127.59 10.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.834 0.35 . . . . 71.209999999999994 110.632 -179.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.447 HD11 ' CD1' ' A' ' 95' ' ' TRP . 15.1 pt -118.4 148.87 20.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.242 -0.435 . . . . 75.140000000000001 110.908 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.9 m -91.63 117.55 29.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.545 -0.752 . . . . 75.25 110.502 -178.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.728 ' HB3' HG22 ' A' ' 112' ' ' ILE . 4.1 mm? -80.34 68.53 6.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.261 0.553 . . . . 75.310000000000002 111.262 -178.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 m -126.08 -62.89 1.14 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.814 -0.63 . . . . 72.25 109.823 176.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 18.46 22.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.098 0.475 . . . . 72.209999999999994 110.323 175.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.5 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -76.79 113.71 14.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.641 -0.709 . . . . 71.450000000000003 109.287 174.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.1 t -76.83 118.89 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.183 -0.462 . . . . 74.420000000000002 111.48 -172.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.572 HG21 ' HD2' ' A' ' 86' ' ' PHE . 59.4 mt -84.63 108.37 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.733 -0.667 . . . . 63.219999999999999 110.022 177.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.9 m -116.06 105.73 50.59 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 116.416 -0.357 . . . . 74.230000000000004 110.295 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.49 140.36 94.35 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.235 1.956 . . . . 63.5 111.218 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.561 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 9.8 t60 -76.91 153.83 34.29 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.637 -0.425 . . . . 74.230000000000004 110.155 -174.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -80.69 -45.04 17.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.177 -0.465 . . . . 73.0 111.728 -174.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -85.55 -30.58 23.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.821 0.343 . . . . 73.120000000000005 111.243 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.755 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . 12.6 m-20 -95.61 114.55 26.32 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.153 -0.314 . . . . 71.129999999999995 110.153 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -79.59 -25.81 41.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.958 0.409 . . . . 72.030000000000001 110.396 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 37.1 m -91.11 -13.84 32.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.876 -0.602 . . . . 64.439999999999998 110.772 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.755 ' HB3' ' CB ' ' A' ' 82' ' ' ASP . 23.9 ttm180 -98.69 146.52 25.79 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.025 0.917 . . . . 75.0 112.123 -173.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.631 ' CE2' HD13 ' A' ' 88' ' ' ILE . 0.4 OUTLIER -131.39 139.97 49.57 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 113.933 -1.485 . . . . 65.430000000000007 109.099 176.354 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -102.84 126.75 50.11 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.545 -0.752 . . . . 73.510000000000005 109.783 -177.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.817 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 32.2 mm -103.12 109.93 28.26 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 CA-C-N 115.861 -0.609 . . . . 73.109999999999999 110.216 179.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.9 p -113.23 105.37 13.35 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.622 0.725 . . . . 71.319999999999993 110.798 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.5 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 6.3 p -136.65 120.59 23.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.501 -0.772 . . . . 73.219999999999999 110.461 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.405 ' N ' HD21 ' A' ' 91' ' ' ASN . 0.9 OUTLIER 63.2 22.28 13.28 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 111.6 0.222 . . . . 72.230000000000004 111.6 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.7 t70 75.35 6.57 4.09 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 123.305 0.642 . . . . 72.409999999999997 111.012 -174.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.0 m -84.95 110.96 19.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.41 -0.959 . . . . 62.210000000000001 108.41 169.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.8 t -104.77 126.26 59.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.243 -0.435 . . . . 74.239999999999995 111.184 -172.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.817 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 37.1 m95 -120.3 109.67 15.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.076 -0.511 . . . . 65.109999999999999 111.191 -178.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.41 ' CD1' ' HE3' ' A' ' 32' ' ' LYS . 12.0 m-85 -90.83 84.16 5.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.168 -0.469 . . . . 75.310000000000002 110.229 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.731 HD11 HG21 ' A' ' 45' ' ' VAL . 2.7 mm? -103.55 157.32 17.13 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.457 -0.497 . . . . 63.219999999999999 109.912 -176.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.653 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 12.9 ttm180 -142.97 144.0 32.17 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.527 -0.469 . . . . 63.43 110.825 -174.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.85 174.11 8.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.847 -0.615 . . . . 63.149999999999999 110.339 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -89.04 -11.26 44.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.076 -0.511 . . . . 64.0 110.4 -178.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.868 ' HB2' ' HB2' ' A' ' 104' ' ' HIS . 22.3 m-20 -140.9 148.34 51.94 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.908 -0.587 . . . . 63.32 109.954 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -65.92 -42.48 11.33 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.603 2.202 . . . . 73.439999999999998 111.28 177.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -77.66 -18.06 57.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.55 -0.75 . . . . 64.319999999999993 110.779 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.868 ' HB2' ' HB2' ' A' ' 101' ' ' ASP . 32.5 m170 -95.79 26.6 3.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.984 0.421 . . . . 71.310000000000002 111.101 -178.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -66.44 -22.46 66.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.63 0.728 . . . . 65.329999999999998 109.585 171.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -54.92 -19.37 6.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.755 -1.111 . . . . 75.329999999999998 112.325 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.709 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 8.6 mm100 -54.29 -41.64 69.15 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.024 0.44 . . . . 60.43 109.926 178.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 17.0 m95 -73.07 -43.58 61.71 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.468 -0.787 . . . . 73.230000000000004 109.92 -175.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.7 mm -60.73 -56.71 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 114.773 -1.103 . . . . 73.349999999999994 109.776 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -57.12 -46.96 82.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.77 -0.65 . . . . 74.010000000000005 111.112 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.06 -64.58 0.78 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.269 -0.423 . . . . 71.219999999999999 110.716 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.735 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 29.2 mt -62.24 -49.02 85.71 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 CA-C-N 116.586 -0.279 . . . . 65.109999999999999 110.82 -175.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.597 ' HA ' ' HE2' ' A' ' 116' ' ' LYS . 22.6 mm-40 -55.12 -34.24 63.54 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.298 0.481 . . . . 72.319999999999993 112.298 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -89.33 -15.3 33.74 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.858 0.361 . . . . 73.420000000000002 111.185 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.563 ' HB3' ' HA ' ' A' ' 50' ' ' ASN . 11.5 m-70 -90.73 -35.57 14.81 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.833 0.679 . . . . 73.109999999999999 112.833 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.735 ' HG3' ' O ' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -88.55 159.92 17.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.503 0.668 . . . . 75.510000000000005 111.984 -174.604 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.245 0.828 0 CA-C-N 115.001 -1.0 . . . . 63.210000000000001 110.149 -173.908 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.596 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 4.4 m . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 110.082 -0.34 . . . . 72.129999999999995 110.082 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.432 ' CD ' ' HE2' ' A' ' 115' ' ' HIS . 1.9 mp0 -73.57 -55.16 6.67 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.531 -0.468 . . . . 74.5 110.491 177.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.59 118.4 36.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.95 -0.568 . . . . 65.340000000000003 110.449 -175.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.406 ' HB3' HG22 ' A' ' 24' ' ' VAL . 12.4 p -138.67 119.63 14.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.059 -0.519 . . . . 54.219999999999999 109.75 175.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -173.56 171.24 44.34 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 119.785 -1.198 . . . . 73.109999999999999 112.886 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.595 HG11 ' HE3' ' A' ' 44' ' ' TRP . 0.9 OUTLIER -89.61 134.72 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.664 0.745 . . . . 74.450000000000003 111.8 -179.452 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.1 tp -110.57 107.36 16.94 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.889 -1.05 . . . . 74.519999999999996 108.739 174.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.3 m -78.85 100.95 7.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.912 -0.585 . . . . 75.519999999999996 109.739 178.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -149.87 166.14 30.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.026 -0.534 . . . . 75.239999999999995 109.79 -176.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.545 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 3.6 m-90 -62.67 125.49 24.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.329 -0.396 . . . . 73.319999999999993 110.909 -177.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.468 ' HG1' ' HB2' ' A' ' 41' ' ' GLN . 17.5 p -109.61 -19.12 13.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.973 -0.558 . . . . 75.519999999999996 111.301 -179.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -134.33 -51.38 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.418 . . . . 54.200000000000003 110.887 -177.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -146.9 171.96 14.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.089 -0.505 . . . . 74.510000000000005 109.999 -177.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.4 mm -70.53 -22.71 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 121.138 0.494 . . . . 75.239999999999995 111.71 -172.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -97.3 9.42 42.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.937 0.399 . . . . 74.519999999999996 110.396 173.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -126.46 74.63 0.42 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.926 -0.654 . . . . 74.430000000000007 112.429 -176.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.545 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 62.1 p-90 -93.77 139.51 30.76 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.904 0.383 . . . . 74.049999999999997 110.166 177.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.468 ' HB2' ' HG1' ' A' ' 34' ' ' THR . 13.0 mm100 -129.23 163.09 26.38 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.102 -0.499 . . . . 65.150000000000006 109.816 177.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 13.8 p-10 -96.75 106.19 18.44 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.684 0.754 . . . . 63.020000000000003 109.51 176.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.413 ' HD2' ' CD2' ' A' ' 54' ' ' TYR . 38.2 ptt180 -102.51 148.92 24.94 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.414 -0.812 . . . . 71.340000000000003 109.753 -177.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.595 ' HE3' HG11 ' A' ' 29' ' ' VAL . 65.8 t-105 -93.15 110.59 22.09 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 120.09 -0.644 . . . . 73.239999999999995 110.369 -172.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.9 m -103.19 141.49 18.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 121.285 0.564 . . . . 51.149999999999999 110.421 -176.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.524 ' O ' HD13 ' A' ' 52' ' ' LEU . 10.7 t -138.65 132.54 40.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.049 -0.978 . . . . 72.109999999999999 110.978 -173.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.2 tt -123.02 124.75 43.84 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.465 -0.568 . . . . 74.230000000000004 109.465 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.596 ' HD3' ' HA ' ' A' ' 24' ' ' VAL . 23.9 tptm -168.61 142.66 3.16 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.412 0.445 . . . . 62.409999999999997 110.414 178.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 59.69 27.51 16.78 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.835 0.454 . . . . 74.319999999999993 112.052 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.805 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 10.5 t-20 72.01 13.57 5.9 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.753 0.787 . . . . 74.209999999999994 110.319 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.67 127.27 56.07 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.506 -0.77 . . . . 62.539999999999999 109.392 174.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.663 HD21 HD12 ' A' ' 69' ' ' ILE . 46.4 tp -106.91 132.75 52.51 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.66 -0.867 . . . . 73.450000000000003 108.66 176.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.4 m -142.64 162.91 34.25 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 116.309 -0.405 . . . . 75.530000000000001 110.067 -174.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 95' ' ' TRP . 3.1 p90 -145.41 156.2 43.62 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.447 -0.501 . . . . 74.319999999999993 110.058 175.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -126.36 169.62 12.76 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.839 -0.8 . . . . 75.239999999999995 108.839 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 2.9 mmmp? -56.8 -49.06 76.49 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 123.16 0.287 . . . . 70.319999999999993 111.734 -178.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.541 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 22.9 t -152.77 -169.04 3.22 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.768 -0.456 . . . . 74.319999999999993 109.768 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 35.9 tt0 -59.8 -33.32 71.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.306 0.642 . . . . 63.350000000000001 112.416 -172.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -81.73 46.86 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.47 0.652 . . . . 64.099999999999994 110.519 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -37.76 -35.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 114.48 1.289 . . . . 72.349999999999994 114.48 179.37 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.0 t -56.54 -36.36 69.15 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.37 0.507 . . . . 74.209999999999994 112.37 -177.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -95.53 -9.5 32.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.336 . . . . 74.150000000000006 111.06 -178.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 30.4 m-85 -94.75 -40.18 9.9 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.189 0.44 . . . . 64.109999999999999 112.189 -174.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.4 156.59 22.48 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.355 -0.926 . . . . 63.539999999999999 111.858 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.1 p -67.03 111.71 3.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.334 0.588 . . . . 75.200000000000003 111.383 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.529 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 9.9 mmm180 -71.28 -53.45 14.23 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.158 -0.928 . . . . 73.510000000000005 110.845 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -136.41 138.61 9.99 Favored Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 114.579 -1.191 . . . . 71.140000000000001 111.417 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 m -133.35 119.53 19.83 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.254 -0.276 . . . . 74.400000000000006 110.254 -177.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.663 HD12 HD21 ' A' ' 52' ' ' LEU . 15.9 pt -121.59 143.67 33.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.073 0.464 . . . . 64.109999999999999 110.727 177.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 65.0 m -96.83 129.58 44.24 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.776 -0.647 . . . . 74.150000000000006 110.035 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 1.062 HD12 HG12 ' A' ' 112' ' ' ILE . 86.0 mt -80.89 24.22 0.51 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.571 -0.741 . . . . 64.129999999999995 111.393 -175.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.7 m -80.21 -33.39 38.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.044 -0.525 . . . . 64.120000000000005 111.062 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.65 12.68 3.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 73.510000000000005 110.962 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.655 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -69.76 126.61 30.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.465 . . . . 72.510000000000005 110.252 177.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.3 t -86.59 111.97 22.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.135 0.493 . . . . 70.310000000000002 110.94 -175.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.1 mt -74.02 102.64 2.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.614 -0.721 . . . . 64.430000000000007 109.562 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.506 ' HB ' ' HB2' ' A' ' 87' ' ' ASP . 12.5 m -96.01 109.57 47.45 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.192 -0.458 . . . . 75.099999999999994 111.025 -177.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.85 116.28 4.38 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.407 2.071 . . . . 64.310000000000002 111.586 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -78.15 139.39 38.99 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.671 -0.492 . . . . 65.549999999999997 109.671 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -89.35 -44.09 10.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.867 0.365 . . . . 74.299999999999997 111.069 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -73.73 -12.42 60.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.106 -0.497 . . . . 74.349999999999994 110.823 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.623 ' HB2' ' HB3' ' A' ' 85' ' ' ARG . 31.7 m-20 -129.03 107.19 9.4 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.273 -0.64 . . . . 74.030000000000001 109.273 177.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.55 -20.76 59.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.912 0.387 . . . . 72.140000000000001 111.41 -173.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 19.7 m -98.16 1.27 47.28 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.466 -0.334 . . . . 71.129999999999995 110.869 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.623 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 67.4 ttt180 -108.59 148.47 30.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.022 0.915 . . . . 72.349999999999994 113.23 -167.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -139.32 126.86 21.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.711 -1.586 . . . . 72.120000000000005 109.756 175.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.506 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 18.9 m-20 -95.53 108.15 20.37 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.868 -0.419 . . . . 73.519999999999996 109.868 177.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.619 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 34.9 mm -83.93 96.65 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.032 -0.359 . . . . 71.200000000000003 110.032 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.46 ' HA ' ' HA ' ' A' ' 94' ' ' VAL . 5.9 p -103.37 112.59 25.54 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.315 0.579 . . . . 54.219999999999999 111.803 -175.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.655 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 7.7 p -141.93 128.27 19.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.636 -0.711 . . . . 65.010000000000005 110.074 177.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.49 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 0.9 OUTLIER 60.31 33.01 20.89 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 111.587 0.217 . . . . 62.439999999999998 111.587 176.809 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.49 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 26.4 t70 76.06 -8.95 1.53 Allowed 'General case' 0 C--N 1.319 -0.751 0 O-C-N 123.896 0.748 . . . . 74.439999999999998 111.824 -177.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.0 m -85.25 101.93 12.92 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.479 -0.563 . . . . 74.0 109.479 175.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 89' ' ' SER . 4.2 p -99.69 122.74 51.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.469 0.652 . . . . 73.540000000000006 110.734 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.619 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 22.2 m95 -106.03 105.53 15.6 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.769 -0.65 . . . . 72.140000000000001 110.245 -176.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.19 89.73 4.28 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.83 -0.623 . . . . 60.420000000000002 110.11 -179.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.6 mt -100.55 149.85 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.854 0.359 . . . . 64.120000000000005 110.461 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.617 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 14.5 ttm-85 -137.27 147.47 45.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.907 -0.405 . . . . 74.430000000000007 109.907 177.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.73 161.72 30.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.136 0.493 . . . . 72.120000000000005 111.118 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.632 ' H ' ' NE2' ' A' ' 100' ' ' GLN . 0.9 OUTLIER -88.57 14.23 10.38 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.566 -0.743 . . . . 74.340000000000003 111.512 -176.348 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.613 ' HB2' ' HD2' ' A' ' 102' ' ' PRO . 6.8 p-10 -167.16 175.28 2.15 Favored Pre-proline 0 CA--C 1.535 0.377 0 N-CA-C 109.457 -0.572 . . . . 54.219999999999999 109.457 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.613 ' HD2' ' HB2' ' A' ' 101' ' ' ASP . 85.9 Cg_exo -48.28 -37.46 31.94 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 123.135 2.557 . . . . 72.25 113.845 -178.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -130.89 -145.26 0.27 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.044 -0.354 . . . . 74.030000000000001 110.044 178.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.622 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 56.9 m80 61.76 25.6 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.025 0.44 . . . . 64.030000000000001 110.889 -178.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.6 ' HD3' ' H ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -73.5 -16.24 61.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.776 0.798 . . . . 75.129999999999995 109.126 174.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.444 ' HA ' HG12 ' A' ' 109' ' ' ILE . 14.1 pt20 -60.5 -6.25 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.131 -0.94 . . . . 70.409999999999997 111.545 174.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.622 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 14.4 mm100 -50.78 -44.33 58.74 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.031 0.443 . . . . 71.409999999999997 109.873 170.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.409 ' O ' HG13 ' A' ' 112' ' ' ILE . 14.0 m95 -70.63 -41.78 71.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.693 -0.685 . . . . 75.120000000000005 109.408 -177.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.444 HG12 ' HA ' ' A' ' 106' ' ' GLN . 25.4 mm -60.02 -54.77 30.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.619 -0.718 . . . . 74.530000000000001 110.313 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 114' ' ' GLN . 21.0 t70 -58.36 -49.07 78.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.548 -0.751 . . . . 73.319999999999993 111.019 -178.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.49 -54.44 40.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.268 0.556 . . . . 70.439999999999998 111.014 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 1.062 HG12 HD12 ' A' ' 71' ' ' LEU . 66.0 mt -66.99 -49.15 76.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.074 -0.512 . . . . 75.25 111.49 -175.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.468 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 46.5 mm-40 -62.31 -34.1 75.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.723 0.297 . . . . 74.329999999999998 111.595 -178.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 2.9 mp0 -81.64 -21.45 38.21 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.924 -0.31 . . . . 71.25 111.058 178.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.805 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 25.0 m-70 -98.08 -0.62 44.15 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.771 0.656 . . . . 72.409999999999997 112.771 177.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.961 ' HE2' ' HA ' ' A' ' 116' ' ' LYS . 7.5 mmpt? -35.49 126.84 0.63 Allowed 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.528 0.936 . . . . 74.319999999999993 113.528 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.247 0.97 0 CA-C-N 114.25 -1.341 . . . . 71.219999999999999 109.096 -178.718 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.914 ' HB3' ' HB2' ' A' ' 48' ' ' LYS . 1.7 pm0 . . . . . 0 N--CA 1.44 -0.927 0 CA-C-O 121.313 0.578 . . . . 73.54 111.626 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.551 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 3.7 tpm_? -92.73 109.21 20.63 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.69 -1.226 . . . . 60.05 107.69 165.048 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.587 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 4.8 p -117.45 113.28 21.82 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.965 -0.561 . . . . 65.34 109.863 -177.102 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -161.92 170.66 37.65 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.091 -1.052 . . . . 63.24 112.478 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.827 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 1.3 m -95.57 133.25 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.545 0.688 . . . . 72.2 111.49 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.527 HD23 ' HE ' ' A' ' 43' ' ' ARG . 54.5 tp -112.83 115.3 28.26 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.826 -1.079 . . . . 45.13 109.706 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 16.1 m -74.65 102.71 4.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.903 0.382 . . . . 74.22 110.689 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.4 tptt . . . . . 0 C--N 1.326 -0.45 0 N-CA-C 109.005 -0.739 . . . . 71.11 109.005 179.731 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.401 ' O ' ' HA ' ' A' ' 31' ' ' SER . 20.1 pt20 . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 109.456 -0.572 . . . . 43.03 109.456 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.827 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 8.9 p-10 -89.05 108.28 19.5 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.518 0.675 . . . . 74.24 110.243 177.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.527 ' HE ' HD23 ' A' ' 30' ' ' LEU . 37.7 ptt180 -100.59 145.03 28.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.642 -0.708 . . . . 70.02 109.652 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.587 ' CZ2' ' HB2' ' A' ' 27' ' ' CYS . 73.5 t-105 -92.25 120.24 32.62 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 120.512 -0.475 . . . . 72.12 110.793 -172.147 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.574 HG12 ' HB2' ' A' ' 54' ' ' TYR . 20.0 m -115.33 142.58 27.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 120.942 0.401 . . . . 73.41 110.848 -178.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.508 ' O ' HD12 ' A' ' 52' ' ' LEU . 79.3 t -133.62 120.67 38.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.196 -0.911 . . . . 74.0 110.54 -178.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.768 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 3.4 tm? -111.88 102.32 10.58 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.687 -0.486 . . . . 72.34 109.687 178.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.914 ' HB2' ' HB3' ' A' ' 25' ' ' GLU . 14.8 tptm -161.55 162.05 30.07 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.404 -0.221 . . . . 72.23 110.404 -173.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.589 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 14.8 m120 71.9 -68.2 0.23 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.88 0.872 . . . . 72.31 109.192 -174.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 63.7 t30 174.35 22.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.58 -1.267 . . . . 74.43 107.58 168.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.24 152.9 49.17 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 114.862 -1.063 . . . . 75.41 109.925 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.589 ' HB2' HD23 ' A' ' 47' ' ' LEU . 63.0 tp -111.48 127.57 55.74 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.429 -0.805 . . . . 64.13 108.889 174.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.9 m -128.67 142.36 51.05 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 109.552 -0.536 . . . . 75.22 109.552 -175.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.643 ' HB3' ' HZ3' ' A' ' 95' ' ' TRP . 0.3 OUTLIER -132.96 146.65 51.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.581 0.705 . . . . 72.33 111.313 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -122.74 165.58 16.33 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.458 -1.246 . . . . 74.34 108.504 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -53.26 -46.04 69.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.938 0.347 . . . . 72.24 111.938 -176.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.9 p -153.7 -172.51 4.25 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.934 -0.395 . . . . 74.3 109.934 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.79 -14.43 45.06 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.567 0.542 . . . . 74.45 112.375 -172.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.568 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 6.5 t0 -75.04 -8.67 57.2 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 110.309 -0.256 . . . . 74.21 110.309 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.757 ' HG3' ' H ' ' A' ' 61' ' ' THR . 5.0 pt-20 26.12 -73.49 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 116.84 2.163 . . . . 72.1 116.84 172.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.757 ' H ' ' HG3' ' A' ' 60' ' ' GLU . 14.5 t -49.93 -41.21 45.69 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.585 0.958 . . . . 55.44 113.585 -167.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -81.74 -13.52 57.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.059 0.457 . . . . 63.51 111.054 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 59' ' ' ASP . 55.6 m-85 -87.46 -16.88 33.53 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.525 -0.546 . . . . 55.4 109.525 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.53 -84.05 1.6 Allowed Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.475 -0.784 . . . . 44.34 112.473 173.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.0 p -171.75 129.92 0.66 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.572 -0.529 . . . . 63.31 109.572 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.478 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 7.0 mmm180 -104.06 -34.55 8.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.096 0.474 . . . . 73.11 111.051 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -162.12 153.34 23.98 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.153 -0.779 . . . . 51.25 111.153 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 23.7 p -161.15 124.25 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.547 0.213 . . . . 61.12 110.564 -176.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.51 ' HB ' HG11 ' A' ' 90' ' ' VAL . 36.2 pt -121.14 156.32 24.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.37 -0.377 . . . . 72.11 111.152 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 52.3 m -97.72 121.62 39.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.76 -0.655 . . . . 61.33 110.451 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.732 HD13 ' HB3' ' A' ' 74' ' ' ALA . 4.4 mm? -84.16 56.41 3.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.094 0.473 . . . . 53.12 111.261 -176.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.9 m -109.65 -42.56 4.26 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.951 -0.568 . . . . 54.41 110.113 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.64 9.64 8.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.463 . . . . 73.4 110.741 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.732 ' HB3' HD13 ' A' ' 71' ' ' LEU . . . -73.1 109.21 6.46 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.613 -0.514 . . . . 73.45 109.613 175.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.9 t -80.4 126.52 39.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.089 -0.505 . . . . 61.24 111.065 -173.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.718 HD11 HD12 ' A' ' 112' ' ' ILE . 55.4 mt -77.75 96.63 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.058 -0.719 . . . . 64.03 109.058 174.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.7 m -96.77 115.8 65.83 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 116.11 -0.495 . . . . 61.34 111.063 -174.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.422 ' HA ' ' HD1' ' A' ' 86' ' ' PHE . 31.2 Cg_exo -60.26 126.02 19.02 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.473 2.116 . . . . 70.35 111.503 175.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -64.82 161.89 17.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.353 -0.385 . . . . 75.5 110.669 -176.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.44 -75.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.279 0.561 . . . . 74.34 111.488 -174.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -76.94 -16.4 59.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.528 -0.76 . . . . 73.25 111.772 -173.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.628 ' HB3' ' HB3' ' A' ' 85' ' ' ARG . 5.4 t70 -100.17 146.5 26.78 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.796 -0.362 . . . . 72.22 110.469 -175.136 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -97.06 -22.73 16.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.152 -0.476 . . . . 51.22 110.97 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 65.5 m -119.0 -1.01 11.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.568 -0.287 . . . . 75.11 111.556 -174.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.628 ' HB3' ' HB3' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -91.71 138.95 31.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.984 0.421 . . . . 65.2 110.501 176.913 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 105' ' ' ARG . 80.4 m-85 -138.02 121.63 17.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.493 -0.776 . . . . 74.24 110.4 -174.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.73 112.78 24.84 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.054 -0.975 . . . . 54.02 109.823 -175.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.682 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 23.4 mm -83.83 108.27 16.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.588 -0.523 . . . . 74.01 109.588 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.9 p -112.0 120.89 43.42 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 112.766 0.654 . . . . 74.13 112.766 -173.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.574 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 14.7 p -153.19 134.45 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.309 -0.86 . . . . 72.55 109.007 173.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.0 m120 61.45 23.04 13.36 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.967 0.413 . . . . 63.33 111.009 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.8 t70 70.09 4.41 4.82 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.075 -0.966 . . . . 71.35 111.32 -173.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.8 m -78.59 100.12 6.83 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.92 -0.77 . . . . 55.02 108.92 172.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.5 t -93.9 115.2 32.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.864 -0.607 . . . . 74.13 110.706 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.682 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 23.8 m95 -101.42 100.26 10.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.749 -0.66 . . . . 74.01 109.813 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.405 ' O ' HD21 ' A' ' 30' ' ' LEU . 67.8 m-85 -71.84 86.36 0.97 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.222 -0.445 . . . . 64.34 110.492 -179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.623 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 3.8 mm? -94.67 169.22 10.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.285 -0.635 . . . . 73.33 109.285 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.611 ' HG3' ' CA ' ' A' ' 85' ' ' ARG . 44.2 ttt-85 -156.98 149.81 23.63 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.706 -0.479 . . . . 63.3 109.706 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.42 124.1 19.32 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.832 -0.803 . . . . 51.42 108.832 171.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.471 HE22 ' HH2' ' A' ' 108' ' ' TRP . 27.7 mp0 . . . . . 0 C--O 1.234 0.256 0 O-C-N 123.791 0.682 . . . . 73.21 111.597 -173.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 58.0 ttp180 . . . . . 0 C--O 1.235 0.306 0 CA-C-O 121.138 0.494 . . . . 74.53 110.469 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -63.84 -16.69 61.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.416 -0.811 . . . . 63.34 111.93 -173.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -60.96 -46.27 91.37 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 108.792 -0.818 . . . . 73.54 108.792 174.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.551 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 16.8 m95 -76.0 -41.77 50.12 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 114.967 -1.015 . . . . 73.25 109.299 -175.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 105' ' ' ARG . 34.1 mm -59.14 -58.5 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 115.116 -0.947 . . . . 73.24 109.957 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.24 -45.4 91.26 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.191 -0.459 . . . . 74.01 111.027 -178.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.0 -62.26 1.87 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.82 0.343 . . . . 71.21 110.967 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.718 HD12 HD11 ' A' ' 76' ' ' ILE . 46.8 mt -61.8 -43.25 97.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 CA-C-N 116.611 -0.268 . . . . 53.13 110.751 -176.056 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.74 -37.24 75.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.726 0.298 . . . . 75.32 111.802 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -85.94 -11.61 52.65 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.831 0.348 . . . . 65.13 111.214 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.489 ' HB3' ' O ' ' A' ' 49' ' ' ASN . 42.4 m-70 -95.5 -35.66 11.6 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.512 0.56 . . . . 71.31 112.512 176.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 168.83 18.75 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.267 0.556 . . . . 73.32 112.334 -168.092 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.232 -0.895 . . . . 74.14 109.684 176.078 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.656 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 2.8 pm0 . . . . . 0 N--CA 1.447 -0.617 0 CA-C-O 121.734 0.778 . . . . 71.13 111.691 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.674 ' HG2' ' CH2' ' A' ' 108' ' ' TRP . 5.9 tpm_? -121.69 116.51 24.68 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.582 -1.19 . . . . 70.23 109.621 175.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.484 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 5.1 p -117.82 114.76 23.75 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 108.89 -0.781 . . . . 74.32 108.89 175.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.72 166.16 38.86 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.217 -0.992 . . . . 62.41 112.306 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.492 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 2.5 m -90.72 131.43 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.756 0.789 . . . . 73.5 111.974 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.774 HD13 HD12 ' A' ' 97' ' ' LEU . 48.8 tp -97.81 116.59 30.34 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.619 -1.173 . . . . 75.42 109.536 176.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.507 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 9.2 p -83.46 107.02 15.67 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.919 -0.582 . . . . 65.42 109.874 176.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 tptp . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 116.162 -0.472 . . . . 73.42 110.564 -178.097 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.507 ' O ' ' HA ' ' A' ' 31' ' ' SER . 2.0 pt20 . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 109.008 -0.738 . . . . 60.33 109.008 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.492 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 8.0 p-10 -120.78 116.02 24.42 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.666 0.746 . . . . 72.2 109.878 177.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.58 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 4.3 ptp180 -109.51 139.61 44.3 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.897 -1.047 . . . . 63.43 109.658 -178.176 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.484 ' CZ2' ' HB2' ' A' ' 27' ' ' CYS . 71.7 t-105 -85.25 115.73 23.19 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.478 -0.489 . . . . 73.31 109.982 -174.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.618 HG22 ' HB2' ' A' ' 54' ' ' TYR . 96.6 t -114.64 131.5 66.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 120.959 0.409 . . . . 63.13 111.117 -173.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.554 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 49.2 t -122.45 125.86 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.271 -0.877 . . . . 74.15 110.715 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.683 HD23 HD13 ' A' ' 52' ' ' LEU . 3.2 tm? -125.42 110.81 14.38 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.374 -0.376 . . . . 71.03 110.32 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.656 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 14.5 tptm 177.26 163.06 0.51 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.919 -0.771 . . . . 72.03 108.919 -176.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.525 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 81.3 m-20 69.65 14.21 8.19 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.699 0.4 . . . . 71.12 110.161 -176.212 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.821 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 64.2 t30 70.79 5.58 5.5 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.484 -0.78 . . . . 72.11 109.668 -173.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.09 150.55 27.65 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.26 -0.882 . . . . 32.51 110.154 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.683 HD13 HD23 ' A' ' 47' ' ' LEU . 43.5 tp -122.7 127.86 49.81 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.598 -0.728 . . . . 64.33 109.308 176.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.585 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 10.1 p -141.96 124.79 16.06 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.596 -0.729 . . . . 73.42 110.39 -173.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.618 ' HB2' HG22 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -125.65 152.34 45.33 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.287 0.565 . . . . 60.01 110.645 178.482 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -128.2 160.26 32.64 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.275 -1.009 . . . . 74.33 108.275 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.559 ' HG2' ' HG3' ' A' ' 66' ' ' ARG . 13.2 mmmm -54.63 -42.69 71.53 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.347 0.499 . . . . 70.13 112.347 -176.09 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.521 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 15.9 m -144.96 177.47 8.73 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.296 -0.261 . . . . 72.34 110.296 -177.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.86 -24.54 66.98 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.417 0.448 . . . . 61.41 111.794 -176.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.625 ' OD1' ' HG2' ' A' ' 62' ' ' GLU . 5.2 t70 -51.34 -40.15 58.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.414 -0.357 . . . . 73.41 110.814 177.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 49.76 -46.94 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.351 1.861 . . . . 71.15 115.905 -176.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.8 t -58.86 -50.52 73.7 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.386 0.884 . . . . 72.12 113.386 -170.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.625 ' HG2' ' OD1' ' A' ' 59' ' ' ASP . 15.4 pt-20 -86.23 -15.91 39.36 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.424 -0.51 . . . . 71.34 111.03 -176.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.521 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 49.1 m-85 -82.07 -35.84 28.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.24 -0.437 . . . . 73.14 110.803 -179.097 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.08 170.89 39.71 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.506 -0.854 . . . . 74.45 112.239 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.1 p -72.59 104.55 3.91 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.516 0.674 . . . . 71.51 111.032 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.559 ' HG3' ' HG2' ' A' ' 56' ' ' LYS . 10.4 mmt180 -85.4 -21.88 28.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.27 -0.877 . . . . 61.32 110.184 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.585 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -149.29 112.91 0.58 Allowed Glycine 0 N--CA 1.439 -1.11 0 N-CA-C 110.597 -1.001 . . . . 72.45 110.597 175.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.8 p -129.22 110.62 12.13 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.185 0.517 . . . . 71.52 110.342 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.645 HD11 HD23 ' A' ' 52' ' ' LEU . 45.8 pt -129.15 176.61 7.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.713 -0.676 . . . . 63.43 110.62 -178.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.482 ' SG ' ' HD3' ' A' ' 73' ' ' LYS . 12.0 p -122.82 138.99 54.49 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.045 -0.525 . . . . 71.31 110.879 -178.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.708 ' HB3' HG23 ' A' ' 112' ' ' ILE . 4.0 mm? -90.79 14.76 12.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.859 -0.609 . . . . 73.44 110.098 177.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.9 t -66.13 -49.11 68.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.249 -0.887 . . . . 62.2 110.96 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.543 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -125.49 19.72 8.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.677 -0.692 . . . . 73.11 109.892 -176.925 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.63 150.39 43.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.305 -0.861 . . . . 42.31 111.608 -176.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.455 ' HB ' ' OG ' ' A' ' 89' ' ' SER . 47.4 t -104.83 109.6 28.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.948 -0.569 . . . . 74.4 110.105 176.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.5 HD11 HD13 ' A' ' 112' ' ' ILE . 60.0 mt -83.33 120.68 35.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.971 -0.559 . . . . 72.33 110.494 179.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.934 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 24.1 m -110.37 101.87 49.68 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 116.087 -0.506 . . . . 75.33 111.074 178.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 77' ' ' THR . 30.0 Cg_endo -64.6 130.6 26.94 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.017 1.812 . . . . 70.33 111.151 175.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -68.97 150.68 47.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.188 0.518 . . . . 73.22 110.373 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.34 -58.15 3.4 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.416 -0.811 . . . . 74.23 111.49 -175.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -77.42 -9.13 58.69 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.492 0.553 . . . . 73.02 112.492 -176.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -128.74 142.04 51.13 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.432 -0.507 . . . . 73.42 111.142 -175.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -103.86 7.67 36.93 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.701 -0.682 . . . . 74.34 110.709 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 73.8 m -120.83 -26.49 5.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.454 -0.339 . . . . 51.45 111.313 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.546 ' CA ' ' HG3' ' A' ' 98' ' ' ARG . 63.6 ttt-85 -80.16 147.58 31.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.06 0.457 . . . . 71.01 111.525 -178.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -149.92 139.91 21.98 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.591 -0.731 . . . . 74.44 110.426 177.789 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.934 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 7.3 t70 -99.18 135.25 40.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.908 -1.042 . . . . 73.43 109.405 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.836 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 3.8 mp -114.85 96.64 4.79 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-N 116.209 -0.451 . . . . 71.21 109.882 -176.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.455 ' OG ' ' HB ' ' A' ' 75' ' ' VAL . 63.3 p -101.76 102.95 13.66 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 120.381 -0.527 . . . . 74.2 110.703 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.9 m -101.33 -172.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.889 -0.596 . . . . 72.53 109.782 176.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -36.5 -61.43 0.52 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 124.248 0.968 . . . . 74.53 112.814 -175.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -129.18 10.61 5.84 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.065 0.395 . . . . 74.22 112.065 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 t -136.54 129.42 30.9 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.567 -0.453 . . . . 75.33 111.222 -173.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.9 t -109.4 127.74 65.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.118 -0.492 . . . . 61.53 110.134 174.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.836 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 12.9 m95 -112.94 147.53 36.9 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.89 -0.595 . . . . 75.45 110.148 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -124.63 92.72 3.71 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.122 -0.695 . . . . 71.23 109.122 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.774 HD12 HD13 ' A' ' 30' ' ' LEU . 36.4 tp -119.57 171.43 8.37 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.811 -0.355 . . . . 61.14 110.259 -173.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.546 ' HG3' ' CA ' ' A' ' 85' ' ' ARG . 20.6 ttt180 -153.75 151.48 29.65 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.46 -0.571 . . . . 71.44 109.46 -177.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.7 144.68 47.6 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.998 -0.371 . . . . 72.05 109.998 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 115.729 -0.668 . . . . 70.34 110.304 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.527 ' HB2' ' CD1' ' A' ' 108' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.449 0 CA-C-O 120.723 0.297 . . . . 72.52 111.463 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -66.66 -10.98 51.76 Favored 'General case' 0 N--CA 1.46 0.071 0 CA-C-N 116.595 -0.275 . . . . 75.41 110.511 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -51.51 -50.11 60.6 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.283 -0.636 . . . . 72.23 109.283 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.674 ' CH2' ' HG2' ' A' ' 26' ' ' ARG . 7.9 m95 -73.16 -44.53 59.85 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.17 -0.923 . . . . 74.55 109.256 -176.089 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 39.0 mm -54.45 -59.83 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.191 -0.913 . . . . 72.3 110.054 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -54.9 -53.55 54.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.526 . . . . 74.34 111.079 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.75 -60.72 2.98 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.308 0.575 . . . . 64.41 111.137 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.708 HG23 ' HB3' ' A' ' 71' ' ' LEU . 31.7 mt -63.49 -53.16 48.75 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-N 116.239 -0.437 . . . . 63.43 111.118 -174.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -52.76 -44.01 66.19 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.749 0.277 . . . . 75.21 111.749 -177.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -74.85 -30.06 61.24 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.805 0.298 . . . . 71.42 111.805 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.821 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 38.7 m80 -96.82 -20.54 18.11 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 114.139 1.163 . . . . 70.11 114.139 -173.396 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.496 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 1.2 pptt? -82.23 170.8 15.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 118.328 0.513 . . . . 73.13 111.822 -175.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.253 1.265 0 CA-C-N 115.534 -0.757 . . . . 73.01 109.77 176.557 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.726 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 1.6 pm0 . . . . . 0 N--CA 1.439 -1.017 0 CA-C-O 121.663 0.744 . . . . 51.2 111.656 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.684 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 2.2 tpm_? -106.93 111.07 23.4 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 114.831 -1.077 . . . . 72.34 108.232 170.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.601 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 3.1 p -123.33 107.59 11.81 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 123.498 0.499 . . . . 74.12 110.275 -177.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.18 171.18 35.66 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.456 -0.878 . . . . 12.42 112.479 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.516 HG13 ' HE3' ' A' ' 44' ' ' TRP . 0.8 OUTLIER -88.91 133.2 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.671 0.748 . . . . 71.23 111.514 -179.851 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.632 HD22 HD23 ' A' ' 97' ' ' LEU . 53.1 tp -115.84 122.25 44.84 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.673 -1.149 . . . . 62.01 109.772 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 p -76.87 99.71 5.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.985 -0.552 . . . . 55.13 109.998 176.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? . . . . . 0 C--N 1.325 -0.5 0 CA-C-N 116.29 -0.414 . . . . 74.12 110.875 -177.052 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.442 HE21 ' HB2' ' A' ' 41' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.52 0 N-CA-C 108.939 -0.763 . . . . 63.44 108.939 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -94.86 98.58 10.83 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.446 -0.575 . . . . 73.24 109.446 177.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.506 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 10.4 ptp180 -97.43 150.28 21.21 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.857 -0.61 . . . . 64.44 110.01 -176.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.516 ' HE3' HG13 ' A' ' 29' ' ' VAL . 68.2 t-105 -97.18 110.94 23.39 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.304 -0.559 . . . . 63.1 110.291 -174.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.601 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 18.4 m -109.02 145.21 16.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 C-N-CA 120.8 -0.36 . . . . 44.22 110.804 -174.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.684 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 57.0 t -133.27 122.81 45.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.464 -0.789 . . . . 70.33 111.071 -177.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.726 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 5.3 tt -113.01 105.45 13.5 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.904 -0.406 . . . . 73.33 109.904 177.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.583 ' HB2' ' HB3' ' A' ' 25' ' ' GLU . 15.3 tptt -164.54 151.5 11.28 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.515 -0.55 . . . . 72.53 109.515 -178.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.492 ' OD1' ' HG3' ' A' ' 48' ' ' LYS . 16.4 m120 64.34 19.63 11.86 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 122.81 0.444 . . . . 41.52 110.447 -173.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.66 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 16.3 t-20 64.81 18.0 11.25 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.364 -0.835 . . . . 73.25 109.848 -175.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.92 126.1 53.45 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.159 -0.928 . . . . 74.45 109.344 175.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.654 ' HB2' HD21 ' A' ' 71' ' ' LEU . 53.7 tp -101.66 125.78 48.38 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.95 -0.759 . . . . 74.24 108.95 176.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.9 m -131.19 167.44 19.16 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.503 -0.771 . . . . 73.3 109.099 -175.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.43 ' HA ' ' O ' ' A' ' 44' ' ' TRP . 2.4 p90 -148.82 154.41 39.48 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.048 -0.661 . . . . 71.34 111.2 177.094 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.468 ' CD1' ' HD1' ' A' ' 44' ' ' TRP . 9.5 m-85 -124.66 163.62 21.63 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.832 -1.077 . . . . 75.33 108.319 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.457 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 25.7 mmmt -60.65 -28.77 68.83 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.111 0.412 . . . . 33.13 112.111 -178.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.446 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 22.0 t -168.93 -170.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.452 -0.573 . . . . 71.23 109.452 178.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -67.57 -20.07 65.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.064 -0.516 . . . . 73.54 111.013 -174.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 7.6 t0 -81.73 49.71 1.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.803 0.811 . . . . 74.51 109.488 176.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -49.18 -23.83 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.834 -1.076 . . . . 71.33 112.061 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -41.54 70.64 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.419 0.525 . . . . 62.23 112.419 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -106.58 -24.81 12.06 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.576 -0.45 . . . . 61.52 111.627 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 32.0 m-85 -75.09 -38.74 61.14 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.84 -0.344 . . . . 75.31 111.636 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.47 162.94 7.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.852 -0.69 . . . . 63.43 112.526 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.8 t -62.82 124.23 20.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.183 0.516 . . . . 75.02 110.323 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.474 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 4.3 mmm180 -98.82 -20.52 16.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.768 -0.651 . . . . 62.15 111.404 -175.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -175.4 152.46 13.43 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.901 -0.88 . . . . 63.33 110.901 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 17.1 p -151.53 153.22 34.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.925 0.363 . . . . 74.21 111.389 -176.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 22.3 pt -142.05 161.21 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.768 -0.651 . . . . 73.23 110.38 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 55.6 m -98.31 139.43 34.09 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.862 -0.421 . . . . 74.32 109.862 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.654 HD21 ' HB2' ' A' ' 52' ' ' LEU . 4.2 mm? -87.87 -0.32 56.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.724 0.638 . . . . 64.44 112.724 -172.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -68.54 -59.05 3.42 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.972 -0.291 . . . . 44.12 110.762 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -93.4 19.85 7.84 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.99 0.367 . . . . 72.12 111.99 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.64 123.13 32.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.729 0.299 . . . . 73.21 110.284 177.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.9 t -83.06 117.42 28.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.431 -0.35 . . . . 71.33 110.89 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.439 HD11 HD13 ' A' ' 112' ' ' ILE . 61.6 mt -83.75 110.26 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 65.31 110.151 177.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.8 m -118.4 118.82 33.6 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 116.299 -0.41 . . . . 73.1 110.373 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -57.31 128.8 31.03 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.069 1.846 . . . . 63.41 111.414 176.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -70.87 145.94 49.93 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.272 -0.64 . . . . 54.21 109.272 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -75.36 -57.27 3.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.08 0.467 . . . . 74.24 110.985 -174.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -68.31 -22.2 64.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.526 -0.761 . . . . 63.2 111.525 -176.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.872 ' HB2' ' HB3' ' A' ' 85' ' ' ARG . 32.1 m-20 -128.55 117.35 21.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.465 -0.334 . . . . 53.53 110.57 -176.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -75.41 -24.66 57.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.074 0.464 . . . . 71.52 111.134 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 80.8 m -96.67 3.22 52.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.346 -0.388 . . . . 54.12 111.005 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.872 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 2.1 ttp180 -104.37 137.28 42.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.327 -0.397 . . . . 73.32 110.298 178.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.518 ' CE1' ' HG3' ' A' ' 105' ' ' ARG . 23.3 m-85 -122.85 128.09 49.91 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.513 0.673 . . . . 74.55 111.429 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -90.4 115.56 27.67 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.556 -1.202 . . . . 54.1 109.664 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.765 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 39.9 mm -100.22 95.61 4.24 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 115.367 -0.833 . . . . 74.12 109.687 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 80.6 p -103.29 107.96 18.99 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 120.109 -0.636 . . . . 72.25 111.139 -177.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.743 HG22 ' H ' ' A' ' 91' ' ' ASN . 6.3 p -116.04 -173.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 107.741 -1.207 . . . . 71.32 107.741 172.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.743 ' H ' HG22 ' A' ' 90' ' ' VAL . 7.3 m-20 -50.25 105.06 0.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 122.51 0.324 . . . . 70.31 111.249 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.5 t70 72.2 -20.08 0.26 Allowed 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.11 0.781 . . . . 62.34 113.11 173.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.591 ' HB3' ' HE1' ' A' ' 95' ' ' TRP . 33.6 m -107.99 114.05 27.69 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.741 -0.6 . . . . 62.15 111.134 -175.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.9 t -110.22 117.98 55.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.039 -0.528 . . . . 74.22 109.679 176.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.765 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 28.8 m95 -111.09 109.01 18.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.819 0.342 . . . . 64.0 110.898 -174.283 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.532 ' HB3' ' HD2' ' A' ' 85' ' ' ARG . 80.0 m-85 -85.3 78.8 9.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.248 -0.433 . . . . 63.51 110.575 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.632 HD23 HD22 ' A' ' 30' ' ' LEU . 88.4 mt -81.69 161.04 23.54 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.877 -0.416 . . . . 61.24 109.877 -177.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.513 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 5.2 ttm-85 -137.72 151.55 48.32 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.406 -0.59 . . . . 74.43 109.406 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.57 -174.53 0.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.487 0.492 . . . . 72.14 110.808 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 72.3 110.156 -178.461 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.518 ' HG3' ' CE1' ' A' ' 86' ' ' PHE . 31.6 ttm180 . . . . . 0 C--O 1.239 0.513 0 CA-C-O 121.803 0.811 . . . . 70.22 109.454 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -61.0 -9.58 4.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.346 -1.297 . . . . 72.42 112.052 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -54.42 -45.28 72.94 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.947 -0.39 . . . . 70.2 109.947 174.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.499 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 13.1 m95 -74.85 -40.21 61.13 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 115.741 -0.663 . . . . 75.2 109.695 -175.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.3 mm -60.71 -56.8 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 115.306 -0.861 . . . . 54.45 109.495 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -56.49 -49.11 75.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.76 -0.654 . . . . 73.14 110.913 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.549 ' HB1' HD22 ' A' ' 47' ' ' LEU . . . -55.9 -58.8 6.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 52.44 111.298 -179.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.527 HG23 ' HB3' ' A' ' 71' ' ' LEU . 43.6 mt -67.44 -51.15 55.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.604 -0.271 . . . . 73.32 111.24 -174.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 65.2 mm-40 -51.96 -45.41 64.38 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 111.722 0.267 . . . . 63.54 111.722 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -77.84 -28.51 50.15 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.973 0.36 . . . . 71.54 111.973 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.66 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 7.2 m-70 -86.64 -24.0 25.47 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.603 0.594 . . . . 73.32 112.603 -177.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 113' ' ' GLU . 0.9 OUTLIER -71.2 171.0 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.159 0.504 . . . . 72.41 111.815 -173.003 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 32.8 p . . . . . 0 C--O 1.249 1.034 0 CA-C-N 115.646 -0.706 . . . . 65.04 110.502 -178.727 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.633 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 6.3 pm0 . . . . . 0 N--CA 1.443 -0.792 0 CA-C-O 121.891 0.853 . . . . 71.3 111.564 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.551 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -123.32 110.5 15.26 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 114.938 -1.028 . . . . 64.14 109.028 175.197 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.511 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 6.2 p -120.79 108.08 13.51 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.086 -0.506 . . . . 25.04 110.03 -177.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.82 169.84 38.91 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.783 -0.722 . . . . 54.41 111.807 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.847 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 2.4 m -90.57 132.26 35.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.674 0.749 . . . . 72.23 111.941 -178.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.3 tp -107.43 120.4 42.07 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.655 -1.157 . . . . 63.24 109.204 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -78.9 100.15 7.09 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.873 -0.603 . . . . 62.32 110.944 -177.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.469 ' HD2' ' HA ' ' A' ' 32' ' ' LYS . 31.5 tptt . . . . . 0 C--N 1.328 -0.354 0 C-N-CA 121.059 -0.256 . . . . 72.13 110.318 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.307 -0.627 . . . . 74.01 109.307 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.847 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 6.1 m-20 -91.32 102.98 15.68 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.309 -0.626 . . . . 64.54 109.309 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.448 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 38.1 ptt180 -95.32 146.83 24.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.689 -0.687 . . . . 71.14 110.247 -176.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.559 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 70.1 t-105 -89.89 112.92 24.43 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.724 -0.39 . . . . 75.24 110.809 -171.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 17.2 m -110.36 143.12 20.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.997 0.427 . . . . 73.43 111.029 -176.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.551 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 73.8 t -132.87 114.09 21.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.192 -0.913 . . . . 63.23 110.406 -178.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.581 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 4.2 tt -112.97 111.63 22.51 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.023 -0.362 . . . . 75.31 110.023 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.633 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 5.6 tptt -172.97 154.99 2.97 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.358 -0.608 . . . . 74.22 109.358 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 58.9 24.76 12.86 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.845 0.458 . . . . 70.24 111.584 -175.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.755 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 4.5 t-20 71.66 10.22 6.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.292 -0.867 . . . . 72.11 110.798 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.19 139.09 50.23 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.565 -0.743 . . . . 51.15 109.859 176.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.575 HD23 HD11 ' A' ' 69' ' ' ILE . 60.8 tp -119.01 129.45 55.14 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.228 -0.656 . . . . 74.24 109.228 175.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.8 m -140.15 148.62 41.91 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 116.254 -0.43 . . . . 72.32 109.926 -176.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.559 ' HA ' ' O ' ' A' ' 44' ' ' TRP . 2.1 p90 -130.98 154.15 48.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.5 0.667 . . . . 74.33 110.96 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.523 ' HD2' ' HD1' ' A' ' 44' ' ' TRP . 21.7 m-85 -127.35 171.21 11.71 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.853 -1.067 . . . . 73.2 108.526 -177.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -58.74 -73.61 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.786 0.662 . . . . 73.23 112.786 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 44' ' ' TRP . 6.1 p -105.82 -85.58 0.49 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.721 0.296 . . . . 52.11 111.561 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -153.95 -28.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.066 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.529 ' HB3' ' HE2' ' A' ' 63' ' ' TYR . 4.6 t70 -38.14 -48.08 1.21 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.048 -0.978 . . . . 63.34 112.157 175.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 39.02 22.15 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.961 1.467 . . . . 64.24 114.961 -177.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 t -108.63 -31.91 7.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 119.125 0.875 . . . . 73.15 111.118 -176.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -109.3 -9.65 14.97 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.557 -0.457 . . . . 64.15 111.344 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.529 ' HE2' ' HB3' ' A' ' 59' ' ' ASP . 47.4 m-85 -85.52 -11.34 54.4 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.469 -0.332 . . . . 72.32 111.234 -177.002 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.44 ' O ' ' HE1' ' A' ' 55' ' ' TYR . . . 70.47 -82.18 0.38 Allowed Glycine 0 C--O 1.227 -0.289 0 CA-C-N 116.131 -0.486 . . . . 44.12 112.446 178.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.4 p -175.34 113.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.176 0.591 . . . . 55.02 109.481 177.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.469 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 3.0 mmm180 -81.44 -27.1 34.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.226 0.536 . . . . 73.44 110.735 -175.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.414 ' HA3' ' CD1' ' A' ' 54' ' ' TYR . . . -143.77 154.96 25.92 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 110.598 -1.001 . . . . 70.11 110.598 176.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.9 p -164.63 110.39 0.98 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.078 0.466 . . . . 75.52 110.793 -176.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.575 HD11 HD23 ' A' ' 52' ' ' LEU . 43.3 pt -124.56 160.04 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.037 -0.528 . . . . 73.41 110.424 178.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 80.2 m -115.0 131.97 56.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.935 -0.575 . . . . 74.31 110.264 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.669 ' HG ' HG12 ' A' ' 112' ' ' ILE . 4.3 mm? -75.3 8.53 2.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 73.35 111.712 -176.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.5 m -66.49 -38.16 86.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 71.11 110.91 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.47 ' HE2' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -132.15 16.64 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.22 0.533 . . . . 61.1 110.847 178.743 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.755 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -84.22 107.95 16.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.896 -0.593 . . . . 43.03 109.824 177.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 50.2 t -71.45 125.34 29.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.888 -0.596 . . . . 74.42 110.707 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.49 HD11 HD13 ' A' ' 112' ' ' ILE . 44.3 mt -86.18 100.76 9.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.774 -0.648 . . . . 73.55 109.887 176.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.5 m -92.53 113.16 58.62 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 110.156 -0.313 . . . . 74.53 110.156 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.491 ' HA ' ' CD1' ' A' ' 86' ' ' PHE . 21.3 Cg_exo -64.82 130.99 27.64 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.435 2.09 . . . . 71.22 111.44 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -70.98 151.08 45.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.418 -0.586 . . . . 75.14 109.418 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -77.81 -63.36 1.4 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.842 0.353 . . . . 55.11 111.567 -174.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -72.13 -35.77 69.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.077 -0.51 . . . . 73.35 111.489 -178.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.49 131.67 35.41 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.984 -0.553 . . . . 74.33 111.622 -173.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -84.19 -37.0 22.41 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.319 -0.855 . . . . 75.34 110.016 176.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 56.9 m -96.37 18.41 13.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.4 -0.818 . . . . 74.34 111.732 -174.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.73 ' HB2' ' HG3' ' A' ' 98' ' ' ARG . 32.1 ttt180 -121.41 146.56 46.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.505 0.669 . . . . 64.3 111.921 -178.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.603 ' CE2' ' HB2' ' A' ' 105' ' ' ARG . 8.9 m-85 -141.57 125.78 17.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.59 -1.186 . . . . 75.54 110.131 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.424 ' OD2' ' HD1' ' A' ' 96' ' ' TYR . 8.4 m-20 -96.28 103.82 15.75 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.928 -0.578 . . . . 75.21 109.615 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.553 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 26.0 mm -78.17 141.99 14.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.904 -0.589 . . . . 72.35 109.539 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.8 p -143.55 112.53 6.66 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.969 -0.692 . . . . 72.21 112.055 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.755 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 7.3 p -145.88 130.75 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 72.11 110.224 177.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 92' ' ' ASP . 16.9 m120 58.21 26.91 14.39 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.942 0.401 . . . . 65.42 111.164 -176.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 91' ' ' ASN . 86.4 m-20 72.45 1.37 3.94 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.191 -0.913 . . . . 74.14 112.386 -175.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.6 m -79.03 99.95 7.11 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.667 -0.864 . . . . 71.0 108.667 171.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 48.0 t -97.37 118.71 44.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.87 -0.604 . . . . 62.22 110.416 -177.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.553 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 17.6 m95 -108.52 101.48 10.64 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.868 -0.605 . . . . 73.41 109.799 -177.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.424 ' HD1' ' OD2' ' A' ' 87' ' ' ASP . 6.6 m-85 -73.32 84.15 1.42 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.418 -0.586 . . . . 74.54 109.418 177.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.57 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 24.5 tp -100.59 142.71 31.68 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.228 -0.286 . . . . 62.54 110.228 -169.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.73 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 18.2 ttp180 -143.0 154.44 44.01 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.024 -0.362 . . . . 72.32 110.024 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.86 136.97 57.08 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.133 -0.321 . . . . 64.41 110.133 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.487 HE22 ' HH2' ' A' ' 108' ' ' TRP . 26.7 mp0 . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.103 -0.499 . . . . 54.4 111.407 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.603 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 3.6 ppt_? . . . . . 0 C--O 1.236 0.344 0 CA-C-O 121.121 0.486 . . . . 75.54 111.225 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -55.87 -25.62 43.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.461 -0.79 . . . . 74.32 111.607 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -57.95 -40.83 81.5 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.039 0.447 . . . . 73.24 110.041 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.599 ' HD1' ' HD2' ' A' ' 86' ' ' PHE . 9.1 m95 -76.1 -42.72 46.27 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 109.114 -0.699 . . . . 73.25 109.114 -176.036 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 33.2 mm -59.35 -53.68 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 115.091 -0.959 . . . . 64.43 109.987 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 114' ' ' GLN . 6.1 t70 -56.9 -47.4 80.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.692 -0.685 . . . . 73.33 110.645 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.76 -61.7 2.19 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.553 0.692 . . . . 44.0 110.962 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.669 HG12 ' HG ' ' A' ' 71' ' ' LEU . 30.4 mt -67.39 -47.21 81.68 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 115.917 -0.583 . . . . 74.23 111.779 -172.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.752 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 72.6 mm-40 -56.13 -44.61 79.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 54.12 111.16 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.459 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 2.6 mp0 -76.46 -16.24 59.71 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.474 -0.491 . . . . 75.13 111.657 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.755 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 94.4 m-70 -111.89 6.85 19.78 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 114.145 1.165 . . . . 73.32 114.145 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.752 ' HE2' ' O ' ' A' ' 113' ' ' GLU . 28.3 mtmt -49.97 166.99 0.06 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 122.196 0.998 . . . . 73.12 112.898 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.312 -1.044 0 CA-C-N 114.363 -1.289 . . . . 53.14 110.848 -166.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 121.223 0.535 . . . . 65.53 110.372 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.549 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 4.4 tpm_? -128.56 120.79 27.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.744 -0.662 . . . . 75.33 109.979 178.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.0 p -139.04 109.51 6.55 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.761 -0.654 . . . . 63.31 109.307 172.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.28 175.84 41.67 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.384 -0.912 . . . . 75.22 112.2 -177.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.448 HG13 ' HE3' ' A' ' 44' ' ' TRP . 1.9 m -92.76 132.57 36.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.493 0.663 . . . . 70.24 111.742 -178.095 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.527 HD13 ' N ' ' A' ' 31' ' ' SER . 1.9 tm? -105.83 130.74 53.74 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.058 -0.974 . . . . 73.41 108.76 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.527 ' N ' HD13 ' A' ' 30' ' ' LEU . 1.1 p -95.64 88.95 5.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.862 -0.608 . . . . 61.11 110.951 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HE3' ' CE2' ' A' ' 96' ' ' TYR . 27.4 tptp . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.233 -0.44 . . . . 75.05 110.884 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 . . . . . 0 CA--C 1.51 -0.578 0 N-CA-C 109.689 -0.486 . . . . 72.43 109.689 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -103.9 112.57 25.6 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.68 0.752 . . . . 71.31 110.334 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -116.0 148.9 39.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.187 -0.915 . . . . 62.41 109.618 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.448 ' HE3' HG13 ' A' ' 29' ' ' VAL . 67.7 t-105 -90.78 111.66 23.13 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.942 -0.392 . . . . 75.11 109.942 -175.157 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 p -110.25 142.71 21.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-O 121.213 0.53 . . . . 72.44 110.714 -175.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 37.8 t -136.22 130.93 48.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.25 -0.886 . . . . 74.32 110.92 -175.273 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.9 tt -115.11 125.41 53.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.859 -0.793 . . . . 75.23 108.859 175.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -164.51 163.59 22.0 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 110.509 -0.182 . . . . 75.22 110.509 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.537 ' O ' ' HB3' ' A' ' 115' ' ' HIS . 13.5 m120 64.5 -90.81 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.011 0.524 . . . . 72.43 110.061 -178.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.513 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 2.8 t-20 -162.01 36.46 0.12 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 106.246 -1.761 . . . . 74.23 106.246 164.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -134.82 158.27 44.64 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 113.826 -1.534 . . . . 63.5 110.187 -176.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 46' ' ' VAL . 31.5 tp -121.74 130.45 53.44 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.563 -0.744 . . . . 74.23 109.157 177.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 20.9 m -129.4 157.95 40.52 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.901 -0.591 . . . . 65.33 109.46 -176.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.609 ' HB3' ' HZ3' ' A' ' 95' ' ' TRP . 1.2 p90 -146.73 155.78 42.66 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.183 -0.607 . . . . 72.34 110.382 176.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.41 ' HD2' ' O ' ' A' ' 64' ' ' GLY . 10.3 m-85 -130.63 163.74 26.5 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.264 -1.013 . . . . 63.42 108.264 -177.138 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -55.19 -47.68 74.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.842 0.354 . . . . 71.22 111.193 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.4 m -156.55 -167.27 2.35 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.651 -0.499 . . . . 54.44 109.651 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.404 ' C ' ' H ' ' A' ' 60' ' ' GLU . 35.1 tt0 -63.86 -21.38 66.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.812 0.339 . . . . 70.23 110.665 -176.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.491 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 5.5 m-20 -74.14 42.1 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.079 0.466 . . . . 72.03 110.672 176.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.424 ' H ' ' HG3' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -60.83 -21.58 63.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.904 -0.589 . . . . 73.42 111.055 -178.811 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.73 -34.54 62.62 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.745 -1.116 . . . . 72.31 111.783 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -114.62 -24.36 8.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.361 -0.381 . . . . 72.34 111.195 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 8.3 m-85 -69.23 -39.73 78.35 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 121.023 -0.271 . . . . 72.21 111.418 -178.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.41 ' O ' ' HD2' ' A' ' 55' ' ' TYR . . . 75.65 170.43 28.6 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.53 -0.843 . . . . 61.12 111.516 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.7 p -69.7 118.82 13.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.378 0.609 . . . . 64.41 110.742 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.463 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 12.7 mmm180 -81.48 -34.63 31.24 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.612 -0.722 . . . . 65.5 110.228 178.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -147.58 148.98 21.01 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.012 -0.995 . . . . 72.53 110.988 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.6 t -154.78 106.99 2.73 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.844 -0.428 . . . . 63.41 109.844 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.601 ' HB ' HG11 ' A' ' 90' ' ' VAL . 26.8 pt -111.49 156.14 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.922 0.392 . . . . 70.42 111.324 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 57.1 m -94.79 121.48 36.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.527 -0.761 . . . . 75.22 110.055 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.808 HD23 HG12 ' A' ' 112' ' ' ILE . 6.6 mp -86.24 16.66 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.065 0.46 . . . . 64.12 110.936 -176.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.1 m -64.97 -45.95 83.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.805 -0.634 . . . . 72.12 110.727 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.24 15.75 5.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.38 -0.373 . . . . 75.2 111.39 -178.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.403 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -65.29 130.45 43.37 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.289 -0.414 . . . . 45.21 110.464 177.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.7 t -85.76 114.19 25.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.212 -0.449 . . . . 74.15 110.478 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.503 HG22 ' HD2' ' A' ' 86' ' ' PHE . 50.5 mt -81.36 99.35 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.364 -0.606 . . . . 71.4 109.364 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.432 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 14.6 m -102.43 113.14 66.02 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.125 -0.489 . . . . 73.22 110.953 -174.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 77' ' ' THR . 13.9 Cg_endo -57.58 130.93 41.37 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.118 1.879 . . . . 63.54 110.892 175.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -63.02 -24.53 67.96 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.25 -0.278 . . . . 71.43 110.25 -178.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.1 t70 73.28 -56.82 0.65 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.895 0.878 . . . . 71.24 111.845 171.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -66.9 -18.58 65.45 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.006 -0.738 . . . . 63.33 109.006 173.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -119.17 141.85 48.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.071 -0.968 . . . . 53.33 108.835 173.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -95.33 -16.01 22.7 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.135 -0.484 . . . . 75.21 110.694 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 65.7 m -116.04 -0.58 12.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.087 -0.506 . . . . 63.21 111.435 -174.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.543 ' HB2' ' HG3' ' A' ' 98' ' ' ARG . 56.8 ttm-85 -111.19 140.18 45.96 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.475 0.655 . . . . 72.34 111.846 176.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.503 ' HD2' HG22 ' A' ' 76' ' ' ILE . 10.1 m-85 -131.7 130.67 42.29 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.905 -1.043 . . . . 64.34 109.983 176.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.493 ' HA ' ' O ' ' A' ' 95' ' ' TRP . 1.4 m-20 -94.99 125.69 39.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.125 -0.489 . . . . 72.44 110.032 -178.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.794 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 33.1 mm -98.17 103.49 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.586 -0.279 . . . . 70.54 110.438 -178.379 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.3 m -106.25 114.34 28.4 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 121.223 0.535 . . . . 71.43 111.556 -176.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.601 HG11 ' HB ' ' A' ' 69' ' ' ILE . 14.8 p -140.09 128.56 26.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.05 -0.722 . . . . 51.01 109.05 174.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.3 m120 61.31 22.63 12.97 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.466 0.174 . . . . 51.44 111.247 -176.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.8 t70 75.28 2.31 3.86 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 123.817 0.698 . . . . 64.24 111.601 -175.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 48.9 m -82.65 99.75 9.78 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.948 -0.76 . . . . 74.11 108.948 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 40.0 t -89.6 124.3 42.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.805 -0.634 . . . . 74.41 111.082 -175.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.794 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 25.3 m95 -109.21 165.03 11.92 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.653 -0.703 . . . . 73.42 109.24 177.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.47 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 2.4 m-85 -133.67 96.16 3.63 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.773 -0.371 . . . . 71.51 110.428 -176.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.7 mt -100.44 121.19 41.13 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.027 -0.36 . . . . 73.21 110.027 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.543 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 2.0 ttp180 -114.65 167.21 10.95 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.936 -0.394 . . . . 73.13 109.936 -178.32 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.484 ' HB2' ' NE ' ' A' ' 105' ' ' ARG . . . -76.47 129.95 37.26 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.207 -0.451 . . . . 64.22 110.735 176.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.446 ' CD ' ' H ' ' A' ' 100' ' ' GLN . 10.5 mp0 . . . . . 0 C--N 1.33 -0.273 0 N-CA-C 107.943 -1.132 . . . . 71.53 107.943 173.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.792 ' NE ' ' HA ' ' A' ' 105' ' ' ARG . 3.9 mmp_? . . . . . 0 C--O 1.237 0.416 0 CA-C-O 121.624 0.726 . . . . 73.33 111.977 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -61.55 -18.29 58.57 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.378 -1.283 . . . . 72.12 110.68 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -53.96 -43.46 69.93 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.412 -0.813 . . . . 72.41 110.315 177.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.744 ' HE1' ' HD3' ' A' ' 105' ' ' ARG . 14.0 m95 -75.46 -40.68 57.12 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.819 -0.628 . . . . 52.43 109.581 -175.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 29.7 mm -55.92 -56.86 10.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.339 -0.846 . . . . 73.53 109.417 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -55.89 -51.33 67.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.633 -0.712 . . . . 71.45 111.064 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.0 -53.87 51.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.338 -0.392 . . . . 63.44 111.708 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.808 HG12 HD23 ' A' ' 71' ' ' LEU . 45.7 mt -70.89 -44.91 75.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.678 -0.237 . . . . 71.23 111.423 -174.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.493 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 23.3 mm-40 -64.33 -28.63 69.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 73.15 111.049 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -89.73 -16.98 29.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.715 0.293 . . . . 63.0 111.289 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.537 ' HB3' ' O ' ' A' ' 49' ' ' ASN . 10.1 m-70 -97.81 -0.28 45.48 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.193 0.442 . . . . 74.24 112.193 175.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.976 ' HE2' ' HA ' ' A' ' 116' ' ' LYS . 8.1 mmpt? -40.57 133.04 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.434 0.901 . . . . 75.03 113.434 177.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.249 1.055 0 CA-C-N 114.443 -1.253 . . . . 53.24 109.079 177.647 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.675 ' HG2' ' HA ' ' A' ' 48' ' ' LYS . 4.6 mm-40 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 121.16 0.505 . . . . 74.23 110.559 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.48 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 5.2 tpm_? -163.69 127.12 2.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.803 -0.635 . . . . 63.35 109.529 176.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.4 p -143.78 110.12 5.45 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.884 -0.413 . . . . 71.12 109.884 174.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.29 172.03 44.85 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.289 -0.958 . . . . 72.1 112.138 -178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.426 HG13 ' HE3' ' A' ' 44' ' ' TRP . 3.3 m -84.88 130.18 36.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.663 0.744 . . . . 52.05 111.116 179.008 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.431 HD21 ' O ' ' A' ' 96' ' ' TYR . 45.0 tp -114.92 135.29 54.37 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.862 -1.063 . . . . 63.13 109.366 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.3 m -89.31 114.16 25.52 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.057 0.456 . . . . 73.45 111.007 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HE3' ' CD1' ' A' ' 96' ' ' TYR . 25.2 tptp . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 109.487 -0.56 . . . . 70.34 109.487 177.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 109.801 -0.444 . . . . 71.12 109.801 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -102.0 123.51 46.01 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.403 -0.592 . . . . 72.24 109.403 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.62 ' HD2' ' CE2' ' A' ' 54' ' ' TYR . 27.0 ptt180 -127.07 149.02 50.12 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.782 -0.645 . . . . 74.52 110.525 -174.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.426 ' HE3' HG13 ' A' ' 29' ' ' VAL . 68.3 t-105 -88.16 113.29 23.64 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.838 0.352 . . . . 70.34 110.261 -176.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.0 t -109.08 131.69 59.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 116.004 -0.544 . . . . 75.4 111.17 -174.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.55 ' O ' HD12 ' A' ' 52' ' ' LEU . 31.0 t -129.08 122.79 57.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-N 115.39 -0.823 . . . . 64.01 111.162 -179.189 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 48' ' ' LYS . 5.9 tt -116.66 130.83 56.96 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.995 -0.743 . . . . 74.05 108.995 176.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.675 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 52.1 pttt 179.74 161.79 0.9 Allowed 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.347 0.404 . . . . 71.25 110.876 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 56.28 32.6 20.69 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.512 0.507 . . . . 74.23 112.06 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.559 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 3.4 t-20 63.41 23.24 13.63 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.78 0.8 . . . . 65.41 110.263 -178.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.13 163.33 27.91 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.294 -0.866 . . . . 74.34 110.48 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.717 HD23 HD11 ' A' ' 69' ' ' ILE . 64.6 tp -140.48 134.76 31.15 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.305 -0.628 . . . . 73.0 109.305 177.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 49.6 m -149.45 145.95 27.18 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.331 -0.395 . . . . 63.45 109.992 -177.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.62 ' CE2' ' HD2' ' A' ' 43' ' ' ARG . 1.7 p90 -133.44 156.54 47.52 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.389 0.614 . . . . 61.14 110.917 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.445 ' CD1' ' HB3' ' A' ' 60' ' ' GLU . 4.1 m-85 -137.16 -179.71 5.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.091 -0.959 . . . . 72.21 109.616 -171.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -72.75 -38.0 67.5 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.196 0.443 . . . . 62.5 112.196 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.503 ' HB3' ' HE2' ' A' ' 63' ' ' TYR . 8.6 t -162.01 -168.58 1.95 Allowed 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.791 -0.364 . . . . 63.24 110.533 -176.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.75 -24.19 67.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.854 -0.612 . . . . 72.1 112.102 -172.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.443 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 9.8 m-20 -81.64 42.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.163 0.506 . . . . 73.04 110.79 176.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -46.86 -33.39 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.118 -0.946 . . . . 71.42 113.336 -178.56 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.1 t -58.0 -26.86 62.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.233 0.456 . . . . 74.45 112.233 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -113.37 1.66 15.2 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.513 -0.475 . . . . 64.32 111.265 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.503 ' HE2' ' HB3' ' A' ' 57' ' ' SER . 16.3 m-85 -99.39 6.06 46.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.208 0.527 . . . . 74.22 110.528 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.83 -112.58 4.84 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.269 -0.878 . . . . 71.12 112.482 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.5 p -163.56 116.94 1.52 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.14 -0.689 . . . . 75.35 109.14 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 -90.99 -8.64 48.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.693 0.758 . . . . 75.43 109.89 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -172.92 129.51 1.71 Allowed Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 114.711 -1.131 . . . . 63.44 110.51 176.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.7 t -142.91 129.45 20.18 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.751 0.31 . . . . 70.04 110.286 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.717 HD11 HD23 ' A' ' 52' ' ' LEU . 16.5 pt -134.43 156.29 40.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.932 -0.577 . . . . 64.21 111.003 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 99.3 m -104.99 125.88 51.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.009 -0.541 . . . . 43.04 110.018 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.982 HD23 HG12 ' A' ' 112' ' ' ILE . 6.3 mp -82.9 10.54 7.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.763 -0.653 . . . . 65.01 111.734 -171.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.9 t -83.73 -13.12 54.76 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.851 -0.425 . . . . 72.04 109.851 174.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.4 22.25 2.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.215 0.531 . . . . 74.22 110.287 175.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.985 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -92.59 106.6 18.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.704 -0.68 . . . . 61.01 110.288 179.111 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.2 t -81.41 123.25 37.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.91 -0.587 . . . . 71.42 110.538 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.608 HD11 HD12 ' A' ' 112' ' ' ILE . 59.8 mt -81.96 106.18 12.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.011 -0.541 . . . . 64.42 110.691 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 90.3 m -94.07 124.15 57.01 Favored Pre-proline 0 C--N 1.317 -0.823 0 CA-C-N 115.816 -0.629 . . . . 74.31 109.702 176.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 16.7 Cg_exo -66.78 135.68 39.19 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.29 1.993 . . . . 74.32 111.52 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.472 ' HB3' ' O ' ' A' ' 85' ' ' ARG . 22.2 p80 -44.44 161.53 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.343 0.592 . . . . 74.14 112.233 172.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -107.58 -6.93 16.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.959 -0.564 . . . . 71.3 109.977 174.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.13 -56.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.789 0.662 . . . . 74.25 112.789 -171.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.593 ' HB3' ' CB ' ' A' ' 85' ' ' ARG . 13.7 t70 -65.92 130.0 41.73 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 120.939 0.399 . . . . 71.5 111.686 -171.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -65.58 -22.59 66.7 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.698 -0.683 . . . . 75.05 112.06 -172.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 98' ' ' ARG . 59.4 m -119.89 0.92 10.93 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.85 -0.34 . . . . 62.31 111.842 -175.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.593 ' CB ' ' HB3' ' A' ' 82' ' ' ASP . 20.9 ttm180 -84.19 142.94 29.96 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.762 0.792 . . . . 72.34 112.849 -176.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.551 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 7.5 m-85 -138.7 118.07 12.83 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.154 -1.385 . . . . 74.4 108.556 166.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -88.41 121.19 30.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.562 -0.745 . . . . 62.53 110.195 -173.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.791 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 31.8 mm -91.25 139.84 17.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.799 -0.445 . . . . 54.54 109.799 -179.031 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.7 p -133.74 114.57 13.57 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.388 0.613 . . . . 44.01 110.798 176.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.985 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 1.9 p -158.3 134.65 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.546 -0.752 . . . . 73.24 109.926 -177.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 59.66 26.88 16.02 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.059 0.456 . . . . 73.41 110.773 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.5 t70 65.45 11.31 7.28 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.012 -0.994 . . . . 60.32 111.287 -175.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.3 m -96.87 113.23 24.76 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.371 -0.603 . . . . 54.13 109.371 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 48.6 t -94.1 123.36 46.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.157 0.503 . . . . 73.42 110.458 -178.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.791 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 28.6 m95 -111.08 155.74 22.36 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.687 -0.688 . . . . 53.44 109.906 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.47 ' CD1' ' HE3' ' A' ' 32' ' ' LYS . 41.8 m-85 -123.82 92.83 3.76 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 109.699 -0.482 . . . . 61.41 109.699 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.438 HD23 HG12 ' A' ' 88' ' ' ILE . 4.6 mm? -90.9 148.77 22.24 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.835 -0.432 . . . . 74.43 109.835 -178.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 2.9 ttt180 -140.19 136.23 33.22 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.097 -0.501 . . . . 74.12 110.159 -177.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.33 172.48 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.548 -0.296 . . . . 74.13 110.446 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 75.1 111.243 -176.427 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.666 HH11 HG13 ' A' ' 109' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.238 0.459 0 CA-C-O 121.076 0.465 . . . . 72.11 110.826 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -50.55 -19.67 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.265 -0.879 . . . . 62.32 112.658 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -49.62 -49.8 45.51 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-O 120.969 0.414 . . . . 71.11 110.689 176.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.423 ' O ' HG13 ' A' ' 112' ' ' ILE . 10.6 m95 -70.02 -46.16 65.68 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.752 -0.658 . . . . 73.35 109.805 -174.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.666 HG13 HH11 ' A' ' 105' ' ' ARG . 17.6 mm -59.79 -58.63 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.149 -0.932 . . . . 73.34 110.085 -177.228 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -55.48 -49.4 72.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.64 -0.709 . . . . 64.0 111.112 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.51 -59.49 4.38 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.216 -0.447 . . . . 54.01 111.041 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.982 HG12 HD23 ' A' ' 71' ' ' LEU . 19.8 mt -67.68 -48.79 74.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.686 -0.406 . . . . 75.33 111.346 -174.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -54.25 -41.82 69.22 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.874 0.369 . . . . 70.45 111.898 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -83.48 -26.98 29.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.254 -0.43 . . . . 74.23 111.861 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 16.6 m-70 -91.5 -23.96 19.8 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.108 0.781 . . . . 63.32 113.108 -176.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.467 ' O ' ' HE3' ' A' ' 116' ' ' LYS . 0.9 OUTLIER -69.56 152.46 44.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.133 0.492 . . . . 73.13 110.634 -177.455 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 37.6 p . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.789 -0.624 . . . . 72.34 110.495 -179.311 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.414 ' CD ' ' HE2' ' A' ' 115' ' ' HIS . 2.7 mm-40 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.244 0.545 . . . . 63.11 109.921 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 3.0 tpm_? -154.62 129.22 9.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.602 -0.727 . . . . 73.43 109.782 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 12.6 p -139.67 115.34 10.07 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.47 -0.567 . . . . 55.42 109.47 174.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -162.83 176.43 39.12 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.551 -0.833 . . . . 70.53 111.972 -178.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.1 m -88.95 137.46 21.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.627 0.727 . . . . 72.52 111.441 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.1 tp -116.79 131.44 56.95 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.95 -1.023 . . . . 74.43 109.361 176.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 p -99.06 113.74 26.09 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.105 -0.498 . . . . 52.43 110.699 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.454 ' HD2' ' HA ' ' A' ' 32' ' ' LYS . 36.0 tptt . . . . . 0 C--N 1.326 -0.447 0 N-CA-C 109.505 -0.554 . . . . 75.52 109.505 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.51 ' HB3' HH21 ' A' ' 43' ' ' ARG . 16.4 tt0 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 120.909 0.385 . . . . 71.25 110.07 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -86.82 151.54 23.27 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.085 -0.709 . . . . 70.11 109.085 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.568 ' HB2' ' HD1' ' A' ' 54' ' ' TYR . 3.0 ptp180 -147.48 142.74 27.27 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.996 -0.547 . . . . 71.34 109.592 175.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.661 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 68.7 t-105 -89.01 110.7 21.36 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.627 -0.429 . . . . 74.22 110.043 -174.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.475 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 18.6 m -105.2 138.33 30.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-O 121.11 0.481 . . . . 64.3 110.476 -176.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.51 HG13 ' HB2' ' A' ' 53' ' ' SER . 7.1 p -139.06 126.44 25.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.712 -0.676 . . . . 72.51 110.317 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.406 HD23 ' N ' ' A' ' 48' ' ' LYS . 5.9 tt -106.31 129.54 54.31 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.075 -0.713 . . . . 74.41 109.075 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.406 ' N ' HD23 ' A' ' 47' ' ' LEU . 52.6 tptt -173.27 146.11 1.38 Allowed 'General case' 0 C--N 1.333 -0.135 0 O-C-N 123.253 0.346 . . . . 74.12 110.234 -178.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.5 m120 59.84 27.11 16.38 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.141 0.423 . . . . 64.31 112.141 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.547 ' ND2' ' HA ' ' A' ' 116' ' ' LYS . 61.4 t30 73.68 3.59 4.54 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.363 0.665 . . . . 75.24 110.712 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.18 148.74 29.48 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.561 -0.745 . . . . 74.22 109.742 177.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.44 ' HB2' HD21 ' A' ' 71' ' ' LEU . 43.8 tp -119.76 131.45 55.35 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 109.65 -0.5 . . . . 72.43 109.65 178.076 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.51 ' HB2' HG13 ' A' ' 46' ' ' VAL . 75.8 m -127.13 155.88 42.64 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.48 -0.782 . . . . 71.15 110.205 -172.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.661 ' HA ' ' O ' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -148.38 148.11 29.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.367 0.603 . . . . 70.21 110.885 172.816 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -121.35 171.74 8.54 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.928 -1.033 . . . . 61.43 109.263 -178.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.509 ' HD2' ' CD1' ' A' ' 63' ' ' TYR . 95.7 mttt -60.39 -36.3 77.77 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.372 0.42 . . . . 74.51 111.087 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.7 t -167.91 -164.6 0.57 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.008 -0.738 . . . . 54.24 109.008 175.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -69.36 -32.55 71.67 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.244 0.34 . . . . 71.0 111.601 -171.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -78.57 54.88 1.54 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.875 0.845 . . . . 42.51 109.569 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.457 ' HA ' ' HB2' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -51.33 -20.19 1.61 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.226 -1.352 . . . . 74.05 112.496 178.398 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -47.18 64.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.96 -0.564 . . . . 65.4 112.238 178.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -100.67 -0.81 36.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.014 0.435 . . . . 55.14 110.892 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.509 ' CD1' ' HD2' ' A' ' 56' ' ' LYS . 16.9 m-85 -99.86 -8.74 23.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.224 -0.443 . . . . 73.25 111.343 -176.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.16 -91.15 0.19 Allowed Glycine 0 C--N 1.331 0.305 0 O-C-N 123.549 0.531 . . . . 62.3 112.704 173.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.8 p -167.68 149.87 5.72 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.584 -0.525 . . . . 52.35 109.584 176.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.522 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 11.3 mmm180 -119.08 -46.66 2.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.204 0.526 . . . . 72.22 111.373 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -144.48 145.46 14.97 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.323 -0.942 . . . . 73.0 112.462 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.2 p -149.39 113.72 5.24 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.92 -0.4 . . . . 62.21 109.92 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 44.8 pt -116.16 164.24 12.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.086 -0.506 . . . . 74.13 110.927 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.1 m -109.45 126.7 53.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.823 -0.626 . . . . 53.15 110.103 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.443 ' HG ' HG12 ' A' ' 112' ' ' ILE . 4.1 mm? -73.14 10.16 1.03 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.292 -0.413 . . . . 73.12 111.883 -177.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 p -73.9 -58.42 3.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.266 -0.425 . . . . 74.31 111.111 178.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.94 -6.29 22.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.335 -0.393 . . . . 65.23 111.199 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.419 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -72.31 112.94 8.81 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.768 -0.456 . . . . 60.02 109.768 176.028 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 69.3 t -77.05 124.71 35.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.146 -0.479 . . . . 62.12 111.423 -173.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.549 HD11 HD13 ' A' ' 112' ' ' ILE . 47.0 mt -79.96 100.04 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.678 -0.692 . . . . 62.13 109.601 173.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.424 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 18.0 m -101.09 107.8 51.71 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 116.053 -0.522 . . . . 51.04 109.856 177.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 77' ' ' THR . 18.8 Cg_endo -59.47 130.15 34.36 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.261 1.974 . . . . 52.33 110.885 176.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -75.32 138.69 41.97 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.507 -0.553 . . . . 74.21 109.507 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -85.17 -44.49 12.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.084 0.469 . . . . 73.4 110.727 -174.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -71.27 -31.74 67.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.722 -0.672 . . . . 65.1 110.463 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.424 ' HB2' ' HB3' ' A' ' 85' ' ' ARG . 1.5 m-20 -115.0 108.33 16.55 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.598 -0.728 . . . . 64.42 109.687 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.56 -37.59 71.06 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.282 0.563 . . . . 71.31 110.046 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 31.5 m -82.19 12.55 4.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.594 -0.73 . . . . 70.01 111.353 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.743 ' HD3' ' HB3' ' A' ' 96' ' ' TYR . 30.7 ttm-85 -120.6 141.69 50.09 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.407 0.623 . . . . 71.12 111.248 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -127.78 131.91 49.56 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.156 -0.929 . . . . 73.02 109.422 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.482 ' OD1' HG22 ' A' ' 94' ' ' VAL . 17.5 t70 -104.32 132.93 50.03 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.717 -0.674 . . . . 44.33 110.8 -175.024 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.738 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 32.2 mm -111.9 101.51 12.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 CA-C-N 116.046 -0.525 . . . . 74.14 110.198 -178.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.1 p -108.23 118.57 37.11 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 120.803 0.335 . . . . 73.24 111.411 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.419 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 10.7 p -132.45 123.82 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.32 -0.622 . . . . 71.31 109.32 174.342 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.9 p30 43.59 -78.62 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.734 1.214 . . . . 64.34 113.759 -169.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -126.07 -18.27 5.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.314 0.578 . . . . 74.53 110.62 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.542 ' HB3' ' HE1' ' A' ' 95' ' ' TRP . 18.7 m -80.09 117.17 20.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.45 -0.795 . . . . 63.14 110.005 -177.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.482 HG22 ' OD1' ' A' ' 87' ' ' ASP . 9.8 p -124.05 121.9 63.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.416 0.627 . . . . 72.11 110.163 -176.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.738 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 17.6 m95 -118.66 100.97 7.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.102 -0.499 . . . . 73.44 111.41 -168.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.743 ' HB3' ' HD3' ' A' ' 85' ' ' ARG . 33.4 m-85 -87.75 80.6 7.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.424 -0.353 . . . . 70.32 111.162 -178.217 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -89.25 142.83 27.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 75.04 110.955 -175.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.507 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 0.5 OUTLIER -121.45 155.76 34.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.451 -0.341 . . . . 73.24 110.675 -178.072 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.472 ' O ' ' HG2' ' A' ' 100' ' ' GLN . . . -79.87 49.5 1.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 75.52 111.338 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 99' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.475 0.775 0 C-N-CA 124.983 1.313 . . . . 75.33 113.01 -176.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 . . . . . 0 C--O 1.244 0.808 0 CA-C-O 121.37 0.605 . . . . 74.42 111.323 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -62.94 -11.01 15.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.318 -0.855 . . . . 71.11 110.87 -172.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -53.22 -45.84 68.82 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.277 -0.42 . . . . 65.21 110.203 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -72.92 -41.3 64.7 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.138 -0.69 . . . . 74.21 109.138 -176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.8 mm -59.12 -56.67 15.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.218 -0.901 . . . . 74.34 110.229 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -62.11 -47.88 82.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.564 -0.744 . . . . 74.5 111.103 -176.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.04 -58.47 7.76 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.434 0.635 . . . . 51.32 110.847 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.549 HD13 HD11 ' A' ' 76' ' ' ILE . 43.7 mt -66.11 -45.53 90.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.825 -0.625 . . . . 71.53 111.162 -174.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.473 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 4.9 mm-40 -58.05 -39.58 78.82 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.45 0.537 . . . . 73.12 112.45 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -81.09 -20.33 41.75 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 120.645 -0.422 . . . . 62.42 111.471 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.459 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 22.7 m-70 -101.74 -18.65 15.71 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 114.266 1.21 . . . . 54.21 114.266 -178.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.564 ' HD2' ' C ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -67.33 160.52 27.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.303 0.573 . . . . 62.44 112.093 -172.495 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 C--O 1.252 1.193 0 CA-C-N 115.385 -0.825 . . . . 71.21 110.021 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.618 -0.512 . . . . 73.01 109.618 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.14 117.68 22.03 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.271 -0.422 . . . . 72.44 109.934 174.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 p -132.25 118.43 19.49 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.296 -0.631 . . . . 63.53 109.296 175.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.33 -177.72 39.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.091 -1.052 . . . . 64.13 112.493 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.691 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 0.4 OUTLIER -97.91 134.97 34.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.385 0.612 . . . . 63.33 111.893 -179.531 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.505 HD23 ' HE ' ' A' ' 43' ' ' ARG . 61.4 tp -114.07 116.24 28.84 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.054 -0.975 . . . . 63.03 109.585 177.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 p -80.3 106.73 12.54 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.235 -0.439 . . . . 63.22 111.044 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.614 ' HE2' ' CD1' ' A' ' 96' ' ' TYR . 6.1 tmtm? . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.48 -0.327 . . . . 74.25 110.244 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 CA--C 1.508 -0.655 0 CA-C-O 121.199 0.523 . . . . 74.32 110.939 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.691 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 12.4 p-10 -92.24 95.88 9.97 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.046 -0.979 . . . . 75.04 109.249 175.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.505 ' HE ' HD23 ' A' ' 30' ' ' LEU . 33.0 ptt180 -89.94 152.34 21.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.323 -0.853 . . . . 71.13 109.786 -175.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -92.43 113.44 25.72 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.188 -0.605 . . . . 74.11 110.328 -173.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.418 HG12 ' HB2' ' A' ' 54' ' ' TYR . 29.0 m -109.71 140.37 28.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.232 0.539 . . . . 72.43 110.674 -177.124 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.461 ' O ' HD12 ' A' ' 52' ' ' LEU . 40.1 t -133.54 123.38 46.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.043 -0.98 . . . . 44.21 111.086 -176.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.2 tt -108.8 119.03 38.33 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.361 -0.977 . . . . 64.01 108.361 173.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -160.48 157.37 27.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.99 -0.096 . . . . 64.32 110.899 -175.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.602 ' O ' ' HB3' ' A' ' 115' ' ' HIS . 88.9 m-20 65.94 -78.77 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.238 0.615 . . . . 74.41 110.979 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.629 ' ND2' ' HA ' ' A' ' 116' ' ' LYS . 51.9 t30 -174.73 33.4 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.223 -1.769 . . . . 74.21 106.223 171.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.09 150.31 46.75 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 113.811 -1.54 . . . . 55.24 110.295 -176.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.473 ' O ' ' HA ' ' A' ' 68' ' ' SER . 56.9 tp -116.65 131.16 57.02 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.669 -0.696 . . . . 70.43 109.148 176.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.0 m -137.39 159.45 41.89 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.745 -0.465 . . . . 61.5 109.745 -177.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.631 ' HB3' ' HZ3' ' A' ' 95' ' ' TRP . 1.5 p90 -143.83 154.96 43.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.315 0.579 . . . . 74.31 110.701 176.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 60' ' ' GLU . 11.6 m-85 -130.17 165.52 22.16 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.249 -0.887 . . . . 73.44 109.213 -176.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.813 ' HE2' ' HA ' ' A' ' 56' ' ' LYS . 8.5 mmpt? -59.2 -35.34 73.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.268 -0.424 . . . . 72.32 111.349 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.681 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 11.0 t -163.95 -161.86 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.448 -0.575 . . . . 71.03 109.448 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 43.4 tt0 -72.16 -29.63 64.2 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 122.713 0.405 . . . . 63.02 111.545 -170.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -77.14 52.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.735 0.778 . . . . 74.45 109.781 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.44 ' HB3' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -44.07 -38.82 3.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.456 -1.247 . . . . 72.31 114.304 -179.275 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.0 t -66.71 -30.46 70.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.82 0.343 . . . . 72.14 111.564 -177.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -85.7 -32.13 22.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.349 0.595 . . . . 73.13 110.184 178.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.681 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 29.1 m-85 -87.18 -28.93 22.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.462 -0.79 . . . . 70.24 112.073 -172.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.26 153.23 8.62 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.043 -0.598 . . . . 74.11 112.411 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.5 p -69.09 101.03 1.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.464 0.649 . . . . 70.13 110.066 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.509 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 5.2 mmm180 -71.84 -30.56 65.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.317 -0.856 . . . . 74.45 110.649 -174.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -150.4 150.37 22.38 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.305 -1.118 . . . . 62.31 110.305 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 12.2 p -164.73 125.14 2.0 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.847 0.324 . . . . 55.24 110.947 -176.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 34.2 pt -128.47 155.87 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.947 0.404 . . . . 72.11 111.281 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 57.4 m -89.89 126.38 35.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.741 -0.663 . . . . 61.31 110.488 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.92 HD13 HG12 ' A' ' 112' ' ' ILE . 92.6 mt -82.18 46.7 1.05 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.799 -0.637 . . . . 74.54 111.464 -176.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.2 t -109.77 -37.73 5.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.299 0.571 . . . . 45.53 110.096 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.508 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -123.72 18.66 9.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.601 -0.727 . . . . 75.33 109.545 -179.435 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.26 109.05 20.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.246 -0.888 . . . . 71.12 109.68 178.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t -82.98 135.47 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.0 0.429 . . . . 72.14 111.14 -175.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.664 HD11 HD12 ' A' ' 112' ' ' ILE . 41.7 mt -87.04 99.77 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.692 -0.686 . . . . 74.52 109.832 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.6 m -105.61 118.96 54.17 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.275 -0.42 . . . . 73.41 110.992 -177.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.2 129.41 31.48 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.343 2.029 . . . . 60.42 111.464 176.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.492 ' HB2' ' HG2' ' A' ' 85' ' ' ARG . 13.1 t60 -70.14 147.58 49.74 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.989 -0.374 . . . . 71.55 109.989 -176.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -70.24 -55.99 7.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.207 -0.452 . . . . 74.3 111.793 -173.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -90.01 -6.29 55.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.43 0.633 . . . . 75.33 110.803 -175.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.655 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . 4.8 m-20 -125.76 112.78 16.46 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.711 -0.677 . . . . 64.24 110.288 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -75.4 -41.14 56.87 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.199 0.523 . . . . 65.23 110.734 -176.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 69.4 m -82.74 -4.23 57.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.91 -0.586 . . . . 74.42 110.804 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.655 ' HB3' ' CB ' ' A' ' 82' ' ' ASP . 21.0 ttm180 -99.22 143.11 29.85 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.487 0.661 . . . . 75.1 110.697 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -134.59 123.37 23.72 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.663 -1.153 . . . . 75.34 110.213 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.431 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 45.8 m-20 -87.05 107.43 18.43 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.002 -0.999 . . . . 74.44 109.788 -178.271 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.881 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 34.0 mm -79.15 98.0 2.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.095 -0.706 . . . . 74.53 109.095 176.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.8 p -104.53 106.44 16.93 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-O 121.526 0.679 . . . . 71.03 112.177 -171.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.679 HG22 ' H ' ' A' ' 91' ' ' ASN . 5.2 p -104.29 -173.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 106.998 -1.482 . . . . 70.05 106.998 169.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.679 ' H ' HG22 ' A' ' 90' ' ' VAL . 4.5 m120 -53.05 103.04 0.06 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.393 0.542 . . . . 73.41 111.09 -178.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.6 t70 75.03 -25.32 0.2 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.903 0.881 . . . . 72.43 112.883 174.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.578 ' HB2' HG12 ' A' ' 90' ' ' VAL . 20.2 m -96.07 110.02 22.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.934 0.397 . . . . 73.02 111.026 -176.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 87' ' ' ASP . 45.3 t -106.64 122.63 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.138 0.494 . . . . 72.1 110.156 177.47 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.881 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 29.8 m95 -104.22 98.04 7.91 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.003 -0.544 . . . . 72.54 110.592 -178.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.614 ' CD1' ' HE2' ' A' ' 32' ' ' LYS . 1.8 m-85 -74.18 75.93 1.79 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.819 -0.628 . . . . 64.42 110.216 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.634 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 15.9 tp -89.1 166.93 13.54 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.429 -0.952 . . . . 60.01 108.429 -176.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.511 ' HA ' ' HA ' ' A' ' 85' ' ' ARG . 6.2 ttm180 -152.91 145.71 24.39 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.8 -0.76 . . . . 70.25 110.938 -176.052 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -79.1 128.84 33.79 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.971 -0.752 . . . . 75.31 108.971 172.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.58 ' CD ' ' H ' ' A' ' 100' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 123.734 0.646 . . . . 74.04 112.54 -175.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 . . . . . 0 N--CA 1.469 0.516 0 N-CA-C 112.594 0.591 . . . . 74.53 112.594 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -55.56 -23.98 29.95 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.191 0.812 . . . . 64.54 113.191 -171.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -58.04 -47.43 83.12 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.288 0.566 . . . . 72.42 110.184 177.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -76.43 -41.17 48.52 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 115.271 -0.877 . . . . 73.32 109.56 -174.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.9 mm -57.7 -56.7 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-N 115.114 -0.948 . . . . 73.23 109.578 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -55.38 -50.76 68.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.947 -0.569 . . . . 75.1 111.084 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.09 -60.74 2.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.416 0.626 . . . . 55.13 111.521 -178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.92 HG12 HD13 ' A' ' 71' ' ' LEU . 20.0 mt -69.31 -44.92 80.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.091 -0.504 . . . . 70.23 111.187 -174.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.579 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 5.6 mm-40 -61.43 -29.75 70.14 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.779 0.323 . . . . 72.2 111.774 -178.083 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -85.09 -29.08 25.17 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.761 -0.376 . . . . 73.54 110.802 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.602 ' HB3' ' O ' ' A' ' 49' ' ' ASN . 8.0 m-70 -93.63 -23.24 18.34 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 114.801 1.408 . . . . 74.43 114.801 -174.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.629 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -67.97 157.9 34.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.135 0.493 . . . . 65.22 111.768 -174.805 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.1 p . . . . . 0 C--O 1.247 0.922 0 CA-C-N 115.505 -0.77 . . . . 62.14 110.326 -177.754 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.69 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 1.7 pm0 . . . . . 0 N--CA 1.44 -0.96 0 CA-C-O 121.553 0.692 . . . . 74.12 110.743 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.537 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 1.4 tpm_? -94.76 111.14 22.94 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.899 -1.046 . . . . 71.52 108.535 174.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.506 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 15.1 p -120.74 108.05 13.51 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 109.4 -0.593 . . . . 74.52 109.4 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.82 165.92 35.34 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 119.92 -1.133 . . . . 74.23 112.839 -176.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.597 HG13 ' HE3' ' A' ' 44' ' ' TRP . 1.3 m -91.77 133.47 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.517 0.675 . . . . 53.12 111.34 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.455 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 56.8 tp -109.67 118.16 35.81 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.812 -1.086 . . . . 62.33 109.296 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.7 p -81.36 107.09 13.85 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.212 0.53 . . . . 63.11 110.542 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.3 tptp . . . . . 0 C--N 1.326 -0.432 0 N-CA-C 109.109 -0.701 . . . . 73.24 109.109 -179.6 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.541 0 N-CA-C 109.318 -0.623 . . . . 74.43 109.318 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.535 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 10.8 p-10 -103.26 98.68 8.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.614 -0.721 . . . . 62.51 109.992 178.263 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.606 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 13.3 ptp180 -90.85 139.76 30.44 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.557 -0.747 . . . . 71.22 110.4 -176.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.597 ' HE3' HG13 ' A' ' 29' ' ' VAL . 69.6 t-105 -92.5 112.27 24.15 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 120.33 -0.548 . . . . 70.22 110.498 -175.208 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.456 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 21.4 m -106.3 143.03 17.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.995 0.426 . . . . 63.42 110.509 -176.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.567 ' O ' HD12 ' A' ' 52' ' ' LEU . 84.8 t -129.96 116.82 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.975 -1.011 . . . . 75.41 110.454 -178.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.69 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 3.5 tm? -117.81 113.13 21.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.061 -0.518 . . . . 61.31 110.156 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.636 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 13.6 tptm -174.82 154.21 1.87 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.169 -0.678 . . . . 62.1 109.169 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.4 t30 67.84 21.35 9.1 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.007 0.432 . . . . 54.13 110.444 176.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.409 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 2.4 t-20 69.27 14.29 8.57 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.146 -0.934 . . . . 53.34 110.237 -178.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.55 155.49 30.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.981 -0.554 . . . . 72.34 110.243 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 46' ' ' VAL . 60.5 tp -138.28 134.47 34.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.831 -0.622 . . . . 72.43 109.558 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.7 m -148.01 152.27 37.15 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.444 -0.344 . . . . 64.2 110.11 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.606 ' HD2' ' HB2' ' A' ' 43' ' ' ARG . 2.6 p90 -135.36 153.69 51.75 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.263 -0.575 . . . . 73.25 111.782 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -128.55 178.05 6.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.152 -0.931 . . . . 74.23 109.973 -175.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.719 ' HE2' HH21 ' A' ' 66' ' ' ARG . 89.1 mttt -53.06 -50.79 63.63 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.456 0.472 . . . . 71.42 110.59 175.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 t -167.17 -165.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.296 -0.631 . . . . 74.33 109.296 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.415 ' C ' ' H ' ' A' ' 60' ' ' GLU . 35.5 tt0 -62.34 -31.16 71.75 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 122.992 0.517 . . . . 71.45 112.388 -170.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.27 44.66 0.43 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.849 0.833 . . . . 54.05 110.088 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.579 ' HA ' ' HB2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -56.19 -20.64 18.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.688 -1.142 . . . . 54.11 113.041 -177.355 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 t -53.11 -38.96 63.07 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.429 0.456 . . . . 74.43 112.055 -174.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -114.71 6.11 15.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 70.55 111.142 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.579 ' HB2' ' HA ' ' A' ' 60' ' ' GLU . 15.1 m-30 -92.05 -37.28 12.89 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.924 -0.311 . . . . 74.05 111.431 -175.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.04 159.5 22.56 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.426 -0.892 . . . . 54.13 111.743 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.8 p -81.97 133.36 35.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.319 0.58 . . . . 73.51 111.285 -176.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.719 HH21 ' HE2' ' A' ' 56' ' ' LYS . 19.3 mmt85 -90.64 -29.23 17.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.507 -0.769 . . . . 73.43 110.482 178.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -157.43 147.55 15.86 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.614 -0.721 . . . . 51.41 111.466 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.8 p -148.03 132.44 17.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.613 0.244 . . . . 72.32 110.786 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.533 HD11 HD23 ' A' ' 52' ' ' LEU . 40.1 pt -137.76 167.21 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.049 0.452 . . . . 74.13 111.279 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 59.0 m -115.75 130.93 57.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.558 -0.746 . . . . 74.23 109.756 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.61 ' HB3' HG23 ' A' ' 112' ' ' ILE . 4.1 mm? -84.22 18.66 2.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.363 -0.381 . . . . 74.51 111.231 -175.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.2 m -84.43 -16.46 42.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.371 -0.377 . . . . 74.45 110.923 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.22 4.31 1.61 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.874 0.368 . . . . 74.42 111.586 178.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.641 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -74.2 139.56 44.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.318 -0.401 . . . . 65.43 111.144 178.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.7 t -97.15 115.22 36.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.199 -0.455 . . . . 72.41 110.612 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.434 HG22 ' HD2' ' A' ' 86' ' ' PHE . 41.8 mt -72.55 110.66 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 73.34 109.766 176.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.8 m -106.75 111.8 63.73 Favored Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 120.869 -0.332 . . . . 75.51 111.274 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.3 113.12 2.12 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.133 1.889 . . . . 74.31 109.814 171.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.927 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 6.9 t60 -63.08 137.52 58.27 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.681 -0.407 . . . . 64.32 109.949 -175.044 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -63.64 -45.08 91.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.139 -0.482 . . . . 74.42 111.384 -169.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -81.81 -18.45 43.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.074 -0.512 . . . . 73.4 111.08 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.927 ' HB2' ' HB3' ' A' ' 79' ' ' HIS . 3.1 m-20 -114.2 115.12 26.96 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.783 0.661 . . . . 64.12 112.783 -166.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -80.84 -23.76 38.9 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.583 -0.735 . . . . 64.51 110.264 174.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.5 m -96.49 -6.25 37.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.036 -0.529 . . . . 61.53 111.084 -178.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.841 ' HD2' ' HB3' ' A' ' 96' ' ' TYR . 13.0 ttp180 -115.8 134.89 54.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.84 0.829 . . . . 74.02 112.275 -174.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.434 ' HD2' HG22 ' A' ' 76' ' ' ILE . 30.1 m-85 -129.94 116.69 18.99 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.157 -1.383 . . . . 74.53 108.831 176.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.553 ' HA ' ' O ' ' A' ' 95' ' ' TRP . 2.8 p-10 -91.71 113.32 25.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.034 0.921 . . . . 65.43 111.006 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.573 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 31.0 mm -83.17 102.33 9.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 114.533 -1.212 . . . . 74.53 109.878 -179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.0 t -100.21 117.19 33.92 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.99 0.424 . . . . 71.43 110.728 -176.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.641 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 11.0 p -150.82 130.1 3.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.886 -0.597 . . . . 65.32 110.015 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.8 m120 56.72 31.02 18.61 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.387 0.514 . . . . 63.22 112.387 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.4 t70 72.19 19.36 4.51 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.858 0.837 . . . . 71.41 111.194 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.4 m -110.56 101.01 9.72 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.067 -0.716 . . . . 55.43 109.067 171.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.437 ' CG1' ' HB2' ' A' ' 87' ' ' ASP . 38.7 t -96.47 116.38 38.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.131 -0.486 . . . . 63.21 110.355 -178.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.585 ' CZ3' ' HB3' ' A' ' 54' ' ' TYR . 28.1 m95 -104.57 98.66 8.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.133 -0.485 . . . . 74.25 111.036 -175.2 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.841 ' HB3' ' HD2' ' A' ' 85' ' ' ARG . 57.1 m-85 -75.82 78.25 2.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.29 -0.414 . . . . 72.34 110.965 -178.127 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 85' ' ' ARG . 86.9 mt -80.14 145.04 32.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.304 -0.258 . . . . 73.35 110.304 -177.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.722 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 5.7 mtm180 -131.17 145.56 52.0 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.306 -0.257 . . . . 65.13 110.306 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.04 172.7 12.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.03 -0.532 . . . . 41.13 110.646 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 . . . . . 0 C--N 1.326 -0.421 0 CA-C-O 121.082 0.468 . . . . 74.1 111.095 -176.287 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.475 0 CA-C-O 121.564 0.697 . . . . 75.55 109.693 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -54.16 -17.1 2.46 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 114.935 -1.029 . . . . 75.33 112.212 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -53.25 -45.42 68.79 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 110.247 -0.279 . . . . 73.33 110.247 177.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.513 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 14.1 m95 -70.07 -41.81 73.63 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.501 -0.555 . . . . 73.34 109.501 -175.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.2 mm -60.74 -60.99 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.112 -0.949 . . . . 70.24 110.245 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.81 -42.25 88.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.922 -0.581 . . . . 63.31 111.361 -176.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.65 -57.68 11.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.063 0.458 . . . . 71.23 110.878 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.61 HG23 ' HB3' ' A' ' 71' ' ' LEU . 56.9 mt -66.42 -44.09 90.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.34 -0.391 . . . . 75.02 110.299 -175.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.06 -42.14 76.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.026 0.441 . . . . 71.01 111.803 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -83.43 -21.67 32.89 Favored 'General case' 0 C--N 1.314 -0.961 0 C-N-CA 120.855 -0.338 . . . . 71.22 111.636 -177.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 77.8 m-70 -94.36 -27.74 15.91 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.381 0.882 . . . . 72.34 113.381 -179.202 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.49 151.03 33.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.235 0.54 . . . . 73.42 111.224 -175.122 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 35.8 p . . . . . 0 C--O 1.249 1.075 0 CA-C-N 115.326 -0.852 . . . . 64.44 110.339 -176.09 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.197 0.522 . . . . 75.41 109.785 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.691 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 8.6 tpm_? -136.46 120.82 18.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.007 -0.542 . . . . 73.13 110.861 174.149 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.494 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 7.2 p -126.38 120.73 30.59 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.558 -0.746 . . . . 61.23 109.107 170.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.49 171.06 41.98 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.488 -0.863 . . . . 41.33 111.959 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.02 152.64 3.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.32 0.581 . . . . 75.14 111.374 178.042 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.662 HD11 ' O ' ' A' ' 96' ' ' TYR . 33.7 tp -122.51 109.94 14.97 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 114.934 -1.03 . . . . 71.32 109.658 178.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 m -80.74 108.91 14.79 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.756 -0.656 . . . . 75.22 110.191 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.469 ' HD2' ' HA ' ' A' ' 32' ' ' LYS . 34.1 tptt . . . . . 0 C--N 1.328 -0.352 0 N-CA-C 109.564 -0.532 . . . . 71.22 109.564 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.237 0.42 0 CA-C-O 120.858 0.361 . . . . 75.13 110.804 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -95.21 97.26 9.76 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.491 -0.929 . . . . 61.44 108.491 171.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.797 ' HD2' ' CE2' ' A' ' 54' ' ' TYR . 20.3 ptt180 -101.45 151.03 22.43 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.01 -0.541 . . . . 74.41 110.384 -174.124 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.783 ' HB2' ' HA ' ' A' ' 58' ' ' GLU . 63.2 t-105 -85.42 130.89 34.48 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.483 -0.487 . . . . 75.4 110.489 -169.326 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.675 HG22 ' HB2' ' A' ' 54' ' ' TYR . 60.8 t -127.81 130.64 70.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.155 0.503 . . . . 75.21 110.919 -177.101 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.463 ' O ' HD12 ' A' ' 52' ' ' LEU . 25.4 t -126.06 128.85 72.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.399 -0.819 . . . . 73.24 111.169 -178.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.8 tt -112.14 123.36 50.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.893 -0.78 . . . . 55.34 108.893 175.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -166.3 140.99 4.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.7 -0.227 . . . . 53.44 110.893 -176.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 58.92 29.11 18.48 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.24 -0.436 . . . . 74.44 111.833 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.708 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 3.0 t-20 72.29 4.06 4.88 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.784 -0.644 . . . . 70.41 110.65 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -107.8 140.23 41.19 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.961 -0.563 . . . . 53.35 109.619 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.722 ' HB2' HD21 ' A' ' 71' ' ' LEU . 29.5 tp -111.81 132.71 54.5 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.882 -0.785 . . . . 73.41 108.882 177.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.564 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 30.3 m -140.7 136.13 32.29 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.841 -0.429 . . . . 63.23 109.841 -177.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.797 ' CE2' ' HD2' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -130.38 157.53 42.34 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.438 -0.505 . . . . 75.3 110.901 -177.777 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.514 ' CD1' ' HD1' ' A' ' 44' ' ' TRP . 3.7 m-85 -129.48 154.76 46.68 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.325 -0.991 . . . . 73.53 108.325 -174.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -36.47 55.27 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.451 0.538 . . . . 74.34 112.451 -174.163 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.478 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 33.4 t -146.92 166.62 26.22 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.406 -0.59 . . . . 55.1 109.406 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.783 ' HA ' ' HB2' ' A' ' 44' ' ' TRP . 34.7 tt0 -58.86 -25.29 63.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.134 0.492 . . . . 51.05 111.363 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.711 ' HB2' ' HE2' ' A' ' 63' ' ' TYR . 2.2 m-20 -58.07 -26.71 62.88 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.777 -0.647 . . . . 63.41 110.673 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 48.77 -53.48 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 116.671 2.101 . . . . 74.22 116.671 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.49 HG23 ' H ' ' A' ' 62' ' ' GLU . 3.8 t -40.79 -62.29 0.82 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.145 1.165 . . . . 73.23 114.145 -170.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.49 ' H ' HG23 ' A' ' 61' ' ' THR . 9.2 pt-20 -90.54 5.39 47.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.071 0.462 . . . . 64.32 111.522 -173.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.711 ' HE2' ' HB2' ' A' ' 59' ' ' ASP . 61.3 m-85 -98.67 -28.85 13.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.283 -0.417 . . . . 63.52 110.497 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.25 165.23 7.82 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.947 -0.644 . . . . 62.12 112.915 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 p -73.56 91.33 1.82 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.794 0.807 . . . . 55.42 110.798 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -69.02 -46.09 68.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.85 -1.068 . . . . 75.11 110.082 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.564 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -112.0 141.22 16.59 Favored Glycine 0 N--CA 1.439 -1.134 0 CA-C-N 115.124 -0.943 . . . . 74.51 111.09 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 2.8 p -152.13 114.23 4.46 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.893 0.378 . . . . 75.21 110.483 -179.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.559 ' HB ' HG11 ' A' ' 90' ' ' VAL . 36.6 pt -134.33 165.25 32.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.074 -0.512 . . . . 63.23 110.815 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.8 p -108.97 130.69 55.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.567 -0.742 . . . . 62.35 109.973 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.722 HD21 ' HB2' ' A' ' 52' ' ' LEU . 3.9 mm? -83.86 9.44 12.07 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.156 -0.474 . . . . 53.34 110.512 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -62.41 -43.59 98.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.782 -0.645 . . . . 71.2 111.319 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.49 22.08 4.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.216 0.531 . . . . 51.24 110.577 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.455 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -74.76 132.12 41.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.719 -0.673 . . . . 41.41 110.268 174.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.0 t -90.31 124.04 42.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.548 -0.297 . . . . 74.13 110.647 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 53.7 mt -86.0 95.82 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.189 -0.459 . . . . 74.15 110.242 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.736 ' HB ' ' HB2' ' A' ' 87' ' ' ASP . 14.7 m -89.35 120.74 69.73 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.148 -0.478 . . . . 74.42 110.645 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.476 ' HA ' ' CD1' ' A' ' 86' ' ' PHE . 43.9 Cg_endo -70.32 118.91 5.96 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 121.807 1.672 . . . . 73.54 111.154 174.068 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.962 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 6.1 t60 -63.34 144.62 56.8 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 120.021 -0.672 . . . . 74.5 110.139 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.76 -69.88 0.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.491 -0.777 . . . . 64.34 111.763 -170.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -83.35 -16.27 46.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.108 0.48 . . . . 74.2 110.757 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.962 ' HB2' ' HB3' ' A' ' 79' ' ' HIS . 6.0 m-20 -83.78 149.46 26.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.278 0.561 . . . . 65.34 111.592 -176.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -118.39 -23.18 7.31 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.186 -0.916 . . . . 65.34 109.584 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.5 m -100.85 -8.63 22.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.801 -0.636 . . . . 73.31 110.703 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.479 ' HB3' ' CB ' ' A' ' 82' ' ' ASP . 37.4 ttm180 -103.31 149.3 24.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.364 0.602 . . . . 73.14 111.82 -174.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.488 ' CE2' ' HB3' ' A' ' 105' ' ' ARG . 0.4 OUTLIER -142.4 123.92 14.9 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.832 -1.077 . . . . 73.45 108.964 178.257 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.736 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 1.9 m-20 -88.55 101.48 13.98 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.904 -0.589 . . . . 61.23 110.198 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.737 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 35.4 mm -82.3 100.93 6.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.974 -0.557 . . . . 70.45 110.131 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.0 p -105.75 112.5 25.59 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.323 0.583 . . . . 74.02 111.741 -173.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.559 HG11 ' HB ' ' A' ' 69' ' ' ILE . 13.7 p -143.64 129.63 16.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.88 -0.6 . . . . 74.21 110.403 178.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.503 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 29.6 m120 53.96 40.2 31.33 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.455 -0.339 . . . . 74.24 111.262 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.503 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 21.3 t70 75.88 -11.04 1.18 Allowed 'General case' 0 C--N 1.319 -0.748 0 O-C-N 123.676 0.61 . . . . 71.34 111.958 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.3 m -85.21 108.89 17.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.964 -0.384 . . . . 73.33 109.964 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 40.6 t -102.81 120.17 52.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.095 0.474 . . . . 73.31 110.476 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.737 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 25.2 m95 -104.63 110.02 22.16 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.83 -0.623 . . . . 70.44 110.301 -176.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.662 ' O ' HD11 ' A' ' 30' ' ' LEU . 7.1 m-85 -81.28 71.75 8.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.083 -0.508 . . . . 71.13 110.297 -177.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.653 HD13 HD13 ' A' ' 30' ' ' LEU . 2.9 mm? -77.93 155.1 31.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.034 0.445 . . . . 53.43 111.475 -174.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -134.52 146.95 50.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.007 -0.542 . . . . 61.21 110.005 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.62 163.21 12.75 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.228 -0.442 . . . . 63.34 109.916 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 121.346 0.593 . . . . 75.01 109.541 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.488 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . 14.0 mmm180 . . . . . 0 C--O 1.242 0.696 0 N-CA-C 107.499 -1.297 . . . . 70.33 107.499 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -68.7 -6.4 26.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 113.247 -1.797 . . . . 53.51 112.417 -168.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -49.86 -54.92 16.47 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 108.385 -0.969 . . . . 73.12 108.385 168.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.691 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 22.2 m95 -76.33 -45.16 33.52 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.43 -1.259 . . . . 75.3 109.544 -172.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 27.9 mm -56.09 -56.24 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.445 -0.798 . . . . 62.14 110.285 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.53 -52.09 66.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.998 -0.546 . . . . 70.25 111.068 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.77 -54.91 31.51 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.483 0.659 . . . . 71.34 111.384 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.706 HG23 ' HB3' ' A' ' 71' ' ' LEU . 60.3 mt -66.92 -51.83 50.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.924 -0.58 . . . . 73.15 111.447 -175.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.599 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 75.1 mm-40 -59.03 -30.3 67.92 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.617 0.246 . . . . 73.52 111.543 -176.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -81.37 -29.93 33.88 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.75 -0.38 . . . . 70.55 111.438 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.708 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 22.6 m-70 -94.6 -16.06 23.53 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 115.477 1.658 . . . . 74.22 115.477 -174.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.684 ' HG3' ' O ' ' A' ' 112' ' ' ILE . 30.0 mtmt -44.05 126.11 4.75 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.341 0.867 . . . . 61.3 113.341 -171.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.232 -0.895 . . . . 73.02 110.295 -179.76 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.856 ' HG2' ' HA ' ' A' ' 48' ' ' LYS . 4.0 mm-40 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 121.071 0.462 . . . . 75.23 110.111 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.572 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . 2.3 tpt180 -121.94 137.6 54.73 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.86 -0.609 . . . . 72.14 110.075 178.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.8 p -147.18 109.2 4.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.82 -0.437 . . . . 72.53 109.82 174.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -169.42 172.59 43.57 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.413 -0.898 . . . . 62.11 112.305 -178.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.497 HG13 ' HE3' ' A' ' 44' ' ' TRP . 1.1 m -89.74 150.41 3.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.461 0.648 . . . . 63.44 112.011 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.6 tp -125.48 123.06 38.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.016 -0.993 . . . . 64.31 109.514 176.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.8 m -87.64 105.25 17.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.02 0.438 . . . . 62.33 110.564 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.9 tptp . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.955 -0.566 . . . . 62.44 109.6 178.217 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.403 HE21 ' HB2' ' A' ' 41' ' ' GLN . 2.8 pt20 . . . . . 0 N--CA 1.447 -0.61 0 N-CA-C 109.415 -0.587 . . . . 52.42 109.415 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -103.54 110.82 23.01 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.565 -0.743 . . . . 72.12 109.542 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -108.41 146.93 32.33 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.255 -0.884 . . . . 55.11 109.865 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.497 ' HE3' HG13 ' A' ' 29' ' ' VAL . 69.5 t-105 -93.98 113.1 25.03 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.681 -0.407 . . . . 74.45 109.983 -176.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.2 m -105.08 140.5 22.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.461 0.648 . . . . 74.22 110.654 -176.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.549 HG12 ' HD2' ' A' ' 48' ' ' LYS . 25.2 t -132.37 117.87 33.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.976 -1.011 . . . . 62.34 110.576 -178.271 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.572 ' HB3' ' HB3' ' A' ' 26' ' ' ARG . 3.2 tm? -103.31 127.36 50.67 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.297 -1.001 . . . . 54.23 108.297 177.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.856 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -171.06 162.02 6.99 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 109.81 -0.441 . . . . 60.41 109.81 177.038 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 53.15 -148.23 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.121 -1.437 . . . . 74.12 107.121 -168.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -98.68 34.04 2.14 Favored 'General case' 0 C--N 1.307 -1.251 0 C-N-CA 119.651 -0.82 . . . . 41.22 109.135 171.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.83 154.39 49.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.468 0.651 . . . . 71.43 111.855 -175.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.447 HD13 HD23 ' A' ' 47' ' ' LEU . 61.9 tp -127.05 132.99 50.56 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.554 -0.748 . . . . 74.12 109.278 176.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 5.0 m -131.64 163.35 28.3 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.178 -0.465 . . . . 71.45 109.904 -176.38 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.44 ' HD1' ' CH2' ' A' ' 95' ' ' TRP . 2.7 p90 -147.65 155.9 42.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.034 0.445 . . . . 74.44 110.213 172.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -131.9 168.96 16.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.407 -0.815 . . . . 75.15 108.935 -174.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -62.87 -41.84 99.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.491 -0.322 . . . . 73.41 111.188 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.583 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 23.8 m -152.51 178.15 9.88 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.919 -0.4 . . . . 43.24 109.919 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.98 -27.85 69.41 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.432 0.53 . . . . 74.22 112.432 -173.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.625 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 30.1 t70 -53.02 -34.97 58.8 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 110.46 -0.2 . . . . 75.24 110.46 178.363 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? 50.48 -42.95 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 116.933 2.197 . . . . 73.53 116.933 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 t -54.96 -52.12 64.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.855 0.752 . . . . 75.13 112.616 -173.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.483 ' HG2' ' OD2' ' A' ' 59' ' ' ASP . 7.2 pt-20 -90.3 2.36 55.57 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.429 -0.508 . . . . 72.43 111.171 -177.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.625 ' CE2' ' HB3' ' A' ' 59' ' ' ASP . 38.4 m-85 -99.22 -30.68 12.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.551 -0.295 . . . . 63.54 110.697 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.18 155.31 3.96 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.887 -0.597 . . . . 63.34 112.486 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.6 p -67.69 102.83 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.503 0.668 . . . . 71.23 110.019 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.429 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 13.8 mmt180 -77.8 -19.48 54.94 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.177 -0.92 . . . . 74.13 110.769 -175.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -157.81 129.62 2.38 Favored Glycine 0 N--CA 1.438 -1.169 0 N-CA-C 110.175 -1.17 . . . . 62.32 110.175 175.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 8.3 t -141.6 124.82 16.42 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.679 -0.489 . . . . 73.21 109.679 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.625 ' HB ' HG11 ' A' ' 90' ' ' VAL . 34.2 pt -127.12 153.89 36.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.115 -0.493 . . . . 44.23 111.309 -176.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 63.4 m -98.47 123.44 42.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.952 -0.567 . . . . 75.42 110.039 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.564 ' HB3' HG23 ' A' ' 112' ' ' ILE . 4.2 mm? -75.53 0.57 16.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.113 -0.494 . . . . 74.14 111.937 -175.398 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.6 m -68.44 -37.57 80.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.889 0.376 . . . . 73.13 110.561 178.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.88 14.74 14.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 73.51 111.135 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' ' 71' ' ' LEU . . . -90.25 125.57 35.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.97 0.414 . . . . 61.33 110.728 -178.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.6 t -89.59 116.7 31.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.922 -0.581 . . . . 72.21 110.438 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 54.3 mt -82.92 101.57 7.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.806 -0.634 . . . . 74.33 109.952 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.1 m -103.18 104.14 38.78 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 116.323 -0.398 . . . . 54.03 110.309 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.67 141.61 73.39 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.314 2.009 . . . . 73.45 111.836 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.404 ' CD2' ' HD2' ' A' ' 85' ' ' ARG . 30.0 t-80 -77.7 145.74 36.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.741 -0.837 . . . . 73.12 108.741 176.128 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -83.25 -54.3 5.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.732 0.301 . . . . 71.11 110.669 -174.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -60.83 -40.86 94.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.072 0.463 . . . . 44.55 110.426 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -106.74 106.71 17.37 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 116.04 -0.527 . . . . 74.41 110.249 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -70.43 -22.11 62.75 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.044 0.449 . . . . 74.11 110.33 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 63.8 m -87.18 -12.15 47.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.889 -0.596 . . . . 63.23 111.227 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.404 ' HD2' ' CD2' ' A' ' 79' ' ' HIS . 35.5 ttm-85 -95.26 138.17 33.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 71.24 110.493 -176.171 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -135.44 119.27 17.28 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.921 -0.581 . . . . 61.54 110.292 -176.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -89.69 118.41 29.28 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.598 -0.728 . . . . 64.45 109.775 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.862 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 26.3 mm -102.84 105.47 18.25 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 115.912 -0.585 . . . . 54.13 110.448 -176.037 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.4 p -110.03 126.3 53.83 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.334 0.588 . . . . 74.11 111.058 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.625 HG11 ' HB ' ' A' ' 69' ' ' ILE . 4.9 p -147.48 116.39 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.744 -0.662 . . . . 72.43 110.697 -176.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.8 m120 63.61 -75.95 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.681 -0.691 . . . . 61.12 110.912 -175.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -136.88 -28.29 0.97 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.936 -1.029 . . . . 72.25 109.881 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.0 m -75.48 134.98 40.7 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.542 -0.754 . . . . 42.11 110.896 -172.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 77.3 t -123.72 117.2 50.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.583 -0.735 . . . . 64.24 109.793 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.862 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 17.6 m95 -109.93 101.91 10.71 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.962 -0.563 . . . . 72.44 110.685 -175.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -76.07 80.02 2.91 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.268 -0.641 . . . . 74.34 109.268 175.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 27.3 tp -93.67 169.48 10.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.163 -0.471 . . . . 54.02 109.745 -173.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -153.0 143.59 22.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.025 0.441 . . . . 55.25 110.479 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.09 170.38 16.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.739 -0.664 . . . . 61.51 110.127 175.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 . . . . . 0 C--N 1.321 -0.669 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.74 -178.449 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 . . . . . 0 C--O 1.241 0.649 0 N-CA-C 107.797 -1.186 . . . . 62.54 107.797 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -56.83 -3.15 0.1 Allowed 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 113.253 -1.794 . . . . 75.41 112.097 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -45.48 -52.68 9.92 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.662 -0.866 . . . . 73.14 108.662 167.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.544 ' CH2' ' HD3' ' A' ' 26' ' ' ARG . 11.4 m95 -71.48 -50.42 31.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.045 -0.98 . . . . 72.24 109.949 -176.132 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.7 mm -57.0 -58.05 7.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.571 -0.741 . . . . 61.43 110.912 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -63.44 -44.88 93.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.803 -0.635 . . . . 64.51 111.428 -176.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.74 -56.29 24.08 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.213 0.53 . . . . 35.41 110.645 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.564 HG23 ' HB3' ' A' ' 71' ' ' LEU . 45.5 mt -65.69 -45.77 91.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.997 -0.547 . . . . 52.21 111.16 -175.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.509 ' HA ' ' OE1' ' A' ' 113' ' ' GLU . 3.9 mm-40 -58.78 -43.07 90.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.82 0.343 . . . . 62.11 111.653 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -78.03 -15.23 59.1 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 120.47 -0.492 . . . . 63.42 111.561 -178.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.439 ' HE2' ' CD ' ' A' ' 25' ' ' GLU . 25.0 m-70 -104.9 -14.7 15.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 114.182 1.178 . . . . 75.22 114.182 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.467 ' HD2' ' C ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -72.58 156.61 38.81 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.061 0.457 . . . . 74.34 110.952 -175.55 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 56.6 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.665 -0.683 . . . . 63.25 110.434 -176.223 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.377 0.608 . . . . 61.21 109.952 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.415 ' HA ' ' HE ' ' A' ' 26' ' ' ARG . 3.1 tpm_? -140.16 122.24 15.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.378 -0.828 . . . . 73.13 110.025 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.9 p -135.15 105.29 6.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.976 -0.556 . . . . 75.03 109.641 174.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.3 177.5 39.25 Favored Glycine 0 CA--C 1.506 -0.519 0 C-N-CA 120.122 -1.037 . . . . 75.11 111.972 -176.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.478 ' HA ' ' O ' ' A' ' 43' ' ' ARG . 27.8 m -91.1 143.24 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-O 121.735 0.778 . . . . 72.32 111.657 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.59 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 60.3 tp -112.64 114.81 27.6 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.802 -1.09 . . . . 71.14 109.029 174.223 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.52 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 49.0 p -84.2 108.13 16.91 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.025 -0.534 . . . . 75.35 109.669 174.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.432 ' NZ ' ' HB2' ' A' ' 96' ' ' TYR . 10.8 tptm . . . . . 0 C--N 1.324 -0.508 0 C-N-CA 120.878 -0.329 . . . . 74.45 110.316 177.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.52 ' O ' ' HA ' ' A' ' 31' ' ' SER . 13.6 pt20 . . . . . 0 C--O 1.235 0.321 0 N-CA-C 109.555 -0.535 . . . . 73.24 109.555 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -97.93 124.4 42.35 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.469 0.652 . . . . 72.2 109.628 174.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' A' ' 30' ' ' LEU . 15.5 ptp180 -124.21 153.83 41.04 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.266 -0.879 . . . . 62.11 109.268 -178.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -89.82 130.3 36.08 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.097 -0.641 . . . . 72.41 109.421 -177.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.588 HG22 ' HB2' ' A' ' 54' ' ' TYR . 54.2 t -127.53 129.25 70.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 120.959 0.409 . . . . 75.33 110.904 -177.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.465 ' O ' HD12 ' A' ' 52' ' ' LEU . 46.4 t -124.39 126.8 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.371 -0.831 . . . . 44.13 111.099 -178.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.7 tt -114.03 118.44 34.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.682 -0.859 . . . . 65.23 108.682 174.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -168.53 149.3 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.631 -0.259 . . . . 64.15 110.667 -174.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 58.34 30.35 19.45 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.163 0.431 . . . . 74.3 112.163 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.616 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 3.4 t-20 66.29 15.8 10.22 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.696 0.76 . . . . 63.45 110.443 -178.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.44 152.85 37.4 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.64 -0.709 . . . . 73.45 109.716 177.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 46' ' ' VAL . 31.8 tp -123.29 131.08 53.54 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 108.812 -0.81 . . . . 34.22 108.812 175.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -142.89 134.81 26.95 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 109.615 -0.513 . . . . 75.42 109.615 -175.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.588 ' HB2' HG22 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -129.36 150.4 50.73 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.398 0.618 . . . . 73.53 110.805 -177.677 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -135.39 -174.02 3.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.1 -0.955 . . . . 64.25 109.543 -173.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -73.76 -51.89 15.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.93 -0.577 . . . . 73.34 110.098 173.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.67 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 16.4 m -142.85 -178.06 5.63 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.495 -0.187 . . . . 61.32 110.495 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -70.37 -25.82 63.43 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 122.469 0.308 . . . . 74.21 111.409 -175.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -75.61 49.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.455 0.645 . . . . 75.44 110.006 173.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.552 ' HA ' ' HB2' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -54.57 -8.52 0.24 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 114.47 1.285 . . . . 71.15 114.47 -175.392 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.0 t -67.66 -31.44 71.44 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.464 -0.494 . . . . 75.4 110.638 177.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -101.93 -1.62 31.57 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.056 0.455 . . . . 64.11 110.321 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.67 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 41.8 m-85 -110.05 -10.03 14.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.994 -0.548 . . . . 65.13 110.568 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.84 -102.89 1.19 Allowed Glycine 0 C--N 1.335 0.499 0 CA-C-N 115.639 -0.71 . . . . 60.24 112.283 170.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 51.0 t -169.84 117.81 0.59 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.722 -0.844 . . . . 63.24 108.722 175.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.432 ' HA ' ' HD3' ' A' ' 66' ' ' ARG . 25.0 mmt85 -90.25 -15.2 31.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.059 -0.519 . . . . 75.15 110.336 -175.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.89 132.1 2.12 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.447 -0.797 . . . . 51.43 111.354 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 p -142.44 120.25 11.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.868 0.366 . . . . 73.34 110.885 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.567 ' HB ' HG11 ' A' ' 90' ' ' VAL . 24.8 pt -128.31 152.99 37.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.177 -0.465 . . . . 63.02 111.536 -178.251 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 85.1 m -98.95 122.25 41.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.768 -0.651 . . . . 62.05 109.941 175.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.995 HD23 HG12 ' A' ' 112' ' ' ILE . 5.1 mp -74.75 1.61 12.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.766 -0.652 . . . . 64.12 111.639 -174.307 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.8 t -79.89 -36.17 36.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.234 -0.439 . . . . 74.22 110.247 176.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.489 ' HB2' HG23 ' A' ' 90' ' ' VAL . 2.0 mmmm -92.51 -20.17 21.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.207 0.527 . . . . 64.04 109.982 -179.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.761 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -70.56 138.64 51.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.47 -0.786 . . . . 45.42 112.194 -172.449 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.4 t -97.66 132.33 42.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.521 -0.763 . . . . 53.3 109.333 175.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.458 HG22 ' HD3' ' A' ' 78' ' ' PRO . 21.4 mt -85.84 121.06 36.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.248 0.547 . . . . 53.24 111.242 -178.025 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.855 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 51.0 m -116.52 95.94 46.94 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.524 -0.762 . . . . 74.52 110.336 175.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.458 ' HD3' HG22 ' A' ' 76' ' ' ILE . 50.7 Cg_endo -70.66 125.98 12.24 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 121.776 1.651 . . . . 72.23 110.516 175.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.554 ' HB2' ' HG2' ' A' ' 85' ' ' ARG . 20.0 t-80 -62.47 140.72 58.6 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.141 -0.624 . . . . 63.42 109.798 -179.281 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -78.32 -60.65 2.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.073 -0.512 . . . . 65.12 111.673 -174.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -64.87 -20.72 66.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.571 -0.286 . . . . 74.42 111.735 -177.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.605 ' HB3' ' HB3' ' A' ' 85' ' ' ARG . 9.9 t70 -109.95 145.41 36.97 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.29 -0.564 . . . . 71.02 110.567 -177.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -92.21 -6.73 50.02 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.988 -0.551 . . . . 73.42 111.777 -173.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.58 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 59.2 m -138.48 -17.19 1.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.916 0.709 . . . . 65.11 112.916 -178.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.605 ' HB3' ' HB3' ' A' ' 82' ' ' ASP . 0.8 OUTLIER -61.61 133.46 55.67 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.306 0.574 . . . . 74.43 109.852 175.314 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.509 ' HD1' ' HD2' ' A' ' 105' ' ' ARG . 55.3 t80 -135.65 124.0 23.3 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.266 -0.879 . . . . 75.23 110.432 -169.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.855 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 10.0 t70 -105.16 135.75 45.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.165 -0.471 . . . . 75.34 110.124 -177.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.463 HD11 ' HD2' ' A' ' 86' ' ' PHE . 3.7 mp -125.34 113.94 37.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.733 -0.667 . . . . 70.1 109.51 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.2 p -115.72 119.45 36.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.225 0.536 . . . . 53.4 112.017 -174.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.761 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 7.2 p -160.71 140.09 3.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 115.875 -0.602 . . . . 72.25 110.769 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 23.9 m120 52.09 34.53 14.31 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.122 0.415 . . . . 75.11 112.122 -178.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.409 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 23.7 t70 74.55 -11.38 1.03 Allowed 'General case' 0 C--N 1.319 -0.731 0 O-C-N 123.68 0.613 . . . . 51.14 111.821 -176.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.7 m -81.25 108.79 15.18 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.71 -0.478 . . . . 72.5 109.71 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 42.5 t -104.25 114.03 42.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.939 -0.573 . . . . 71.12 109.956 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.439 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 14.2 m95 -99.54 132.55 44.8 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.499 -0.773 . . . . 74.45 110.222 -177.074 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.432 ' HB2' ' NZ ' ' A' ' 32' ' ' LYS . 2.2 m-85 -114.71 84.49 2.08 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.941 -0.304 . . . . 73.22 110.182 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.503 HD21 HG11 ' A' ' 45' ' ' VAL . 10.6 mp -95.99 -174.07 3.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.246 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 85' ' ' ARG . 22.8 ttt180 -157.25 143.11 17.64 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.383 -0.599 . . . . 62.23 109.383 177.006 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.587 ' CB ' ' HA ' ' A' ' 105' ' ' ARG . . . -80.76 -172.7 3.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.074 -0.512 . . . . 63.35 110.442 176.057 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.426 ' HG2' ' H ' ' A' ' 100' ' ' GLN . 47.5 mm-40 . . . . . 0 N--CA 1.464 0.261 0 O-C-N 124.128 0.893 . . . . 74.12 111.801 -175.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.587 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . 44.1 ttp180 . . . . . 0 C--O 1.241 0.635 0 N-CA-C 108.523 -0.917 . . . . 72.11 108.523 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.508 ' HA ' HG12 ' A' ' 109' ' ' ILE . 15.5 pt20 -62.98 -8.22 6.81 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 114.479 -1.237 . . . . 74.22 111.59 -174.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -50.87 -46.11 60.23 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.105 0.478 . . . . 72.14 109.862 173.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.465 ' O ' HG13 ' A' ' 112' ' ' ILE . 11.0 m95 -73.13 -38.25 66.34 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.158 -0.682 . . . . 73.13 109.158 -177.424 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.508 HG12 ' HA ' ' A' ' 106' ' ' GLN . 36.5 mm -57.8 -58.35 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.628 -0.715 . . . . 73.1 109.893 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -55.55 -50.64 69.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.557 -0.292 . . . . 33.13 111.363 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.67 -56.62 17.24 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.265 0.555 . . . . 64.45 111.432 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.995 HG12 HD23 ' A' ' 71' ' ' LEU . 30.1 mt -68.51 -46.06 80.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.188 -0.46 . . . . 70.31 111.099 -175.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -55.61 -40.72 72.45 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.787 0.327 . . . . 62.02 111.45 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -81.04 -25.58 37.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.358 -0.383 . . . . 74.13 111.966 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.616 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 21.4 m-70 -93.44 -22.94 18.59 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.629 0.974 . . . . 73.3 113.629 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.33 164.9 23.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.108 0.48 . . . . 54.02 111.34 -175.053 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.5 p . . . . . 0 C--O 1.25 1.127 0 CA-C-N 115.752 -0.658 . . . . 74.43 110.548 -179.154 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 121.231 0.539 . . . . 74.34 109.722 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.673 ' HG2' ' CH2' ' A' ' 108' ' ' TRP . 3.4 tpm_? -159.76 128.09 4.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.477 -0.783 . . . . 75.32 109.699 179.328 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 p -142.19 114.01 8.01 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.568 -0.53 . . . . 42.35 109.568 174.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -165.33 173.82 41.12 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.246 -0.978 . . . . 75.24 112.258 -177.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 m -86.69 137.26 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.461 0.648 . . . . 71.44 110.932 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.422 HD11 ' O ' ' A' ' 96' ' ' TYR . 10.4 tt -117.53 121.29 40.59 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.116 -0.947 . . . . 61.51 108.986 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.442 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 17.6 m -92.54 108.19 19.79 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.096 0.474 . . . . 70.32 110.917 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.7 tptt . . . . . 0 C--N 1.325 -0.499 0 N-CA-C 109.358 -0.608 . . . . 73.15 109.358 178.949 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.442 ' O ' ' HA ' ' A' ' 31' ' ' SER . 59.3 tp60 . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 109.582 -0.525 . . . . 64.1 109.582 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 4.3 p-10 -95.2 125.23 39.7 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.487 -0.778 . . . . 73.21 109.564 177.316 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.462 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 17.5 ptt180 -127.5 141.77 51.57 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.688 -0.687 . . . . 70.24 109.821 178.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.543 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 72.1 t-105 -84.95 119.2 25.11 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.877 -0.329 . . . . 74.11 110.18 -173.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.601 HG12 ' HB2' ' A' ' 54' ' ' TYR . 21.9 m -115.39 139.73 40.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-O 121.135 0.493 . . . . 72.51 110.29 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.457 HG13 ' HB2' ' A' ' 53' ' ' SER . 7.2 p -138.69 133.07 41.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.697 -0.683 . . . . 72.45 110.286 -177.087 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.3 tt -119.34 125.31 48.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.527 -0.546 . . . . 64.42 109.527 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -172.57 149.23 2.07 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.745 -0.465 . . . . 63.4 109.745 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 64.13 22.93 13.04 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.269 0.356 . . . . 72.12 110.865 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.839 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 16.4 t-20 68.49 11.48 8.36 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.999 0.904 . . . . 73.44 110.353 -178.175 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.54 137.73 47.86 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.359 -0.837 . . . . 60.4 109.795 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' ' 68' ' ' SER . 49.7 tp -110.48 135.42 51.18 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.44 -0.578 . . . . 75.23 109.44 177.301 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.457 ' HB2' HG13 ' A' ' 46' ' ' VAL . 72.6 m -135.52 147.52 48.84 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.095 -0.502 . . . . 75.12 110.406 -173.47 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.601 ' HB2' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -140.89 150.79 43.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.496 0.665 . . . . 65.24 111.177 175.373 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.498 ' CD1' ' HD1' ' A' ' 44' ' ' TRP . 10.5 m-85 -128.12 162.14 27.62 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 114.628 -1.169 . . . . 61.34 108.13 -177.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.518 ' HB2' ' CD1' ' A' ' 63' ' ' TYR . 2.3 mmmp? -59.54 -21.31 60.07 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.717 1.006 . . . . 73.11 113.717 -173.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.1 t -174.26 -175.09 0.95 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.243 -1.021 . . . . 70.03 108.243 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.42 -28.07 67.98 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.515 0.561 . . . . 63.11 112.515 -172.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.571 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 15.7 t70 -46.03 -43.87 14.78 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.24 0.337 . . . . 71.42 111.479 -178.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.548 ' HA ' ' HD2' ' A' ' 63' ' ' TYR . 8.0 pt-20 49.12 -36.08 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.608 1.963 . . . . 65.53 116.067 -175.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 p -63.61 -43.48 96.78 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.196 0.813 . . . . 71.2 113.196 -171.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.466 ' HG2' ' OD1' ' A' ' 59' ' ' ASP . 10.0 pt-20 -80.73 -15.17 57.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.311 0.577 . . . . 72.11 110.132 -177.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 59' ' ' ASP . 23.7 m-85 -86.77 -32.92 20.12 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.383 -0.826 . . . . 70.23 111.198 -173.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.437 ' O ' ' HE2' ' A' ' 55' ' ' TYR . . . 75.52 -70.31 1.94 Allowed Glycine 0 C--O 1.229 -0.188 0 C-N-CA 121.194 -0.527 . . . . 71.33 111.838 -178.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 21.7 p -175.14 127.85 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.772 -0.825 . . . . 74.23 108.772 173.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.482 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 14.9 mmt85 -111.57 -8.35 14.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.251 0.548 . . . . 62.13 110.848 -174.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.77 135.64 3.6 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.495 -1.042 . . . . 42.33 110.495 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 25.5 t -150.93 137.63 18.88 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 110.026 -0.361 . . . . 71.22 110.026 -178.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.536 ' HB ' HG11 ' A' ' 90' ' ' VAL . 20.2 pt -138.52 153.88 26.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.198 -0.456 . . . . 74.2 110.309 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 84.0 m -99.13 125.2 44.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.216 -0.447 . . . . 51.12 109.99 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.005 HD23 HG12 ' A' ' 112' ' ' ILE . 6.8 mp -83.14 27.7 0.55 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.952 -0.567 . . . . 74.14 111.023 -175.103 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.2 t -60.94 -60.46 3.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 74.33 110.305 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.27 19.31 9.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.325 -0.398 . . . . 74.2 110.668 178.24 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.46 110.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 72.22 109.884 176.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 50.5 t -70.94 120.89 19.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.0 -0.545 . . . . 70.23 110.879 -174.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.522 HD11 HD12 ' A' ' 112' ' ' ILE . 55.9 mt -82.24 110.11 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.954 -0.566 . . . . 44.24 109.753 176.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . 1.056 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 1.1 m -93.9 103.78 11.28 Favored Pre-proline 0 C--N 1.313 -1.001 0 CA-C-N 115.923 -0.58 . . . . 62.22 109.698 176.318 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.52 ' HD3' ' O ' ' A' ' 76' ' ' ILE . 12.3 Cg_exo -70.46 111.36 2.93 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.408 2.072 . . . . 71.35 111.417 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.507 ' HB3' ' HB3' ' A' ' 85' ' ' ARG . 2.0 t60 -74.7 103.05 4.83 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.723 -0.843 . . . . 63.43 108.723 178.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -72.64 -45.43 59.02 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.359 -0.837 . . . . 72.05 111.37 -165.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -66.82 -24.42 66.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.796 -0.638 . . . . 73.34 110.573 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -86.21 -38.29 17.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.277 -0.419 . . . . 64.32 110.222 -177.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 75.54 -31.55 0.2 Allowed 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.258 1.023 . . . . 74.13 111.733 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 57.4 m -107.6 -13.28 15.09 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.249 -0.432 . . . . 73.11 111.238 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.507 ' HB3' ' HB3' ' A' ' 79' ' ' HIS . 15.4 ttm-85 -94.08 143.18 26.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.428 0.633 . . . . 55.42 111.821 -174.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.63 ' HE2' ' HB2' ' A' ' 105' ' ' ARG . 43.7 m-85 -133.77 127.33 32.51 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.967 -1.015 . . . . 73.52 109.915 177.213 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 1.056 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 11.6 t70 -94.93 136.07 35.69 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.662 -1.154 . . . . 54.14 109.88 -178.109 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.746 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 27.3 mm -114.48 106.5 20.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 110.177 -0.305 . . . . 74.11 110.177 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.3 p -114.14 111.11 21.05 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.584 0.707 . . . . 73.13 111.487 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.536 HG11 ' HB ' ' A' ' 69' ' ' ILE . 12.4 p -137.83 123.23 24.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.556 -0.747 . . . . 65.22 109.798 178.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.7 m120 60.87 28.88 18.63 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.663 -0.244 . . . . 60.24 111.193 -178.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.9 t70 75.42 -6.55 1.95 Allowed 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.717 0.635 . . . . 73.31 111.659 -175.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.9 m -74.87 112.92 11.57 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.008 -0.738 . . . . 74.3 109.008 173.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.5 t -107.43 124.78 63.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.014 0.435 . . . . 62.24 111.501 -172.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.746 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 24.7 m95 -116.75 115.59 25.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.837 -0.62 . . . . 75.34 110.377 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.422 ' O ' HD11 ' A' ' 30' ' ' LEU . 21.0 m-85 -92.98 97.28 10.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.618 -0.265 . . . . 74.32 110.439 -179.428 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.8 mp -106.69 158.74 16.74 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.08 -0.341 . . . . 75.22 110.08 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.495 ' HG3' ' CA ' ' A' ' 85' ' ' ARG . 1.8 ttp85 -145.93 155.08 42.62 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.884 -0.326 . . . . 74.21 110.73 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.716 ' HB2' ' HB3' ' A' ' 105' ' ' ARG . . . -72.36 158.0 36.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.048 -0.524 . . . . 75.51 110.488 175.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.013 -0.54 . . . . 61.33 110.865 -178.535 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.716 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . 2.2 ppt_? . . . . . 0 C--O 1.237 0.41 0 CA-C-O 121.374 0.607 . . . . 73.44 110.161 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -55.27 -12.26 0.96 Allowed 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.006 -0.997 . . . . 65.25 111.028 170.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -46.04 -54.14 8.95 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.777 -0.453 . . . . 63.33 109.777 170.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.673 ' CH2' ' HG2' ' A' ' 26' ' ' ARG . 14.5 m95 -70.21 -46.58 64.22 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.404 -0.816 . . . . 75.22 109.49 -173.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.424 ' O ' ' HG2' ' A' ' 113' ' ' GLU . 26.6 mm -55.61 -62.8 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.367 -0.833 . . . . 71.32 110.474 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -60.3 -41.28 93.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.748 -0.66 . . . . 71.15 111.046 -174.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.12 -54.99 40.49 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 121.036 0.446 . . . . 72.35 110.741 178.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 1.005 HG12 HD23 ' A' ' 71' ' ' LEU . 43.9 mt -67.67 -46.44 82.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.419 -0.355 . . . . 72.42 111.15 -176.201 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 109' ' ' ILE . 8.7 mm-40 -58.8 -36.81 75.06 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.852 0.358 . . . . 63.23 111.374 -178.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -79.95 -31.4 39.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.553 -0.294 . . . . 74.02 111.196 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.839 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 58.5 m-70 -91.86 2.53 56.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.922 0.342 . . . . 70.55 111.922 -179.035 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.888 ' HE2' ' HA ' ' A' ' 116' ' ' LYS . 7.5 mmpt? -42.07 141.55 0.87 Allowed 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.47 0.915 . . . . 74.3 113.47 175.417 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.247 0.939 0 CA-C-N 114.449 -1.25 . . . . 72.42 108.849 178.853 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.997 0.427 . . . . 73.02 109.944 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.672 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 3.3 tpm_? -143.55 132.21 22.48 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.017 168.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.0 p -145.26 120.96 10.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.992 -0.549 . . . . 53.54 109.787 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -176.71 169.82 42.38 Favored Glycine 0 C--O 1.228 -0.281 0 C-N-CA 120.127 -1.035 . . . . 34.45 112.606 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.908 HG13 ' HE3' ' A' ' 44' ' ' TRP . 2.7 m -92.46 150.32 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.091 0.472 . . . . 71.44 110.883 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.446 ' O ' ' HA ' ' A' ' 42' ' ' ASP . 3.6 pp -128.63 142.77 50.93 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.581 -0.736 . . . . 63.3 109.138 173.193 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.6 p -105.5 102.61 12.07 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.826 -0.625 . . . . 75.32 110.219 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.289 -0.414 . . . . 64.31 110.381 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 N--CA 1.447 -0.578 0 CA-C-O 121.255 0.55 . . . . 63.2 110.837 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.446 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 4.2 m-20 -97.84 117.88 33.16 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.744 -1.117 . . . . 71.03 109.159 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -126.09 147.87 49.49 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.08 -0.509 . . . . 74.13 110.171 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.908 ' HE3' HG13 ' A' ' 29' ' ' VAL . 64.8 t-105 -96.34 118.69 33.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.304 -0.407 . . . . 72.12 110.085 -173.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.9 m -111.56 141.72 26.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.456 0.646 . . . . 73.0 111.42 -176.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.502 ' O ' HD12 ' A' ' 52' ' ' LEU . 46.3 t -129.97 122.95 55.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 114.88 -1.055 . . . . 63.22 110.633 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 tt -107.68 111.22 23.31 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.671 -0.863 . . . . 72.12 108.671 176.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -157.64 143.19 17.19 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.044 -0.262 . . . . 75.24 111.016 -177.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 54.76 35.61 24.45 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.179 -0.464 . . . . 60.42 111.397 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.536 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 2.7 t-20 68.0 5.7 4.73 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.142 -0.936 . . . . 60.42 111.125 178.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.36 124.59 52.82 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.225 0.536 . . . . 75.54 109.948 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 46' ' ' VAL . 51.6 tp -99.68 131.19 45.83 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.977 -0.749 . . . . 71.22 108.977 177.442 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 15.5 m -141.77 139.41 32.79 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.17 -0.468 . . . . 61.32 109.835 -175.215 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.646 ' HB3' ' CZ3' ' A' ' 95' ' ' TRP . 3.0 p90 -124.84 156.07 38.45 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.057 -0.657 . . . . 71.25 111.025 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -127.79 165.64 19.71 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 114.904 -1.043 . . . . 75.44 109.043 -177.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.519 ' HB3' ' CG ' ' A' ' 63' ' ' TYR . 29.4 tptp -57.41 -32.46 66.88 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 123.619 0.574 . . . . 63.45 111.466 -178.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.6 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 8.1 t -171.81 -163.79 0.28 Allowed 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.702 -0.481 . . . . 71.52 109.702 176.207 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -67.35 -28.21 67.77 Favored 'General case' 0 N--CA 1.461 0.116 0 O-C-N 123.117 0.261 . . . . 70.1 111.362 -173.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.519 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 5.6 m-20 -74.72 47.91 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.358 0.599 . . . . 64.21 110.397 173.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -46.21 -37.76 7.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.722 -1.126 . . . . 72.25 112.409 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.5 p -56.94 -34.87 68.43 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.284 0.476 . . . . 75.21 112.284 -177.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -111.91 4.86 18.53 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.918 -0.313 . . . . 61.51 111.625 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 9.7 m-85 -104.11 -24.53 13.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.693 0.282 . . . . 72.0 110.937 177.401 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.81 160.23 9.09 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 121.005 -0.617 . . . . 71.54 113.016 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.4 p -72.34 109.96 6.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.137 0.494 . . . . 62.33 110.187 178.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -91.03 -17.64 25.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.916 -0.584 . . . . 72.52 110.762 -175.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -157.84 148.8 18.75 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.978 -0.849 . . . . 70.41 110.978 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 13.2 p -159.43 121.79 3.47 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 117.013 0.407 . . . . 73.5 110.759 -176.187 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.405 ' HB ' HG11 ' A' ' 90' ' ' VAL . 23.3 pt -128.7 156.87 41.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.148 -0.478 . . . . 71.43 111.251 179.075 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 85.2 m -99.08 119.39 37.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.47 -0.786 . . . . 63.34 109.676 175.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.877 HD23 HG12 ' A' ' 112' ' ' ILE . 8.2 mp -84.08 25.52 0.82 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.29 0.567 . . . . 65.22 110.699 -175.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.4 m -77.46 -31.76 53.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.378 -0.828 . . . . 52.44 110.452 177.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.22 4.28 4.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.595 -0.73 . . . . 75.54 110.908 -177.311 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.659 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -65.7 133.5 51.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.122 -0.49 . . . . 45.2 110.946 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.1 t -85.97 108.82 17.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.675 -0.693 . . . . 61.12 110.387 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.8 mt -77.21 107.86 9.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.047 -0.524 . . . . 71.03 109.75 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.2 m -109.2 99.98 38.68 Favored Pre-proline 0 C--N 1.316 -0.889 0 CA-C-N 116.264 -0.426 . . . . 75.13 110.917 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.25 125.1 13.46 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.148 1.898 . . . . 64.05 109.998 172.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.401 ' HB3' ' O ' ' A' ' 82' ' ' ASP . 34.1 t60 -63.38 137.03 58.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.849 -0.426 . . . . 53.05 109.849 -177.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.54 -49.86 43.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.947 0.403 . . . . 34.31 111.13 -172.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -83.15 -11.38 57.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.254 -0.43 . . . . 73.32 111.635 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 79' ' ' HIS . 58.2 m-20 -128.27 107.79 10.06 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 120.665 0.269 . . . . 73.5 110.553 178.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -76.84 -25.69 53.48 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.094 -0.503 . . . . 54.13 110.689 -177.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 98' ' ' ARG . 72.6 m -85.07 -13.69 49.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.107 -0.497 . . . . 64.03 110.81 178.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.4 ' HD2' ' HB2' ' A' ' 79' ' ' HIS . 9.3 ttm180 -94.55 132.44 39.24 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.36 0.6 . . . . 55.14 110.599 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.4 ' CE1' ' HD3' ' A' ' 105' ' ' ARG . 3.8 m-85 -125.41 126.74 45.45 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.494 -0.776 . . . . 74.11 110.335 178.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -108.55 115.54 30.3 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.65 -0.704 . . . . 62.31 109.641 -178.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.472 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 4.1 mp -108.01 113.52 44.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 CA-C-N 115.273 -0.876 . . . . 75.31 109.694 -173.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.1 p -120.37 117.9 28.96 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.211 0.529 . . . . 64.25 111.884 -173.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.659 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 12.5 p -147.16 129.63 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.327 -0.62 . . . . 72.41 109.327 175.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.442 ' O ' ' HB2' ' A' ' 92' ' ' ASP . 18.3 m120 59.86 27.99 17.41 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.692 0.282 . . . . 73.24 111.329 -178.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 91' ' ' ASN . 5.3 m-20 70.92 2.35 4.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.695 -0.684 . . . . 71.12 112.4 -175.106 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.8 m -80.06 101.29 8.63 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.644 -0.873 . . . . 61.42 108.644 173.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.1 t -99.19 117.15 43.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.661 -0.7 . . . . 71.52 110.962 -174.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.646 ' CZ3' ' HB3' ' A' ' 54' ' ' TYR . 26.4 m95 -106.64 133.82 50.74 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.468 -0.787 . . . . 73.22 110.26 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -109.47 94.74 5.19 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.005 -0.368 . . . . 61.13 110.005 177.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 79.2 mt -95.9 162.58 13.52 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.254 -0.43 . . . . 70.54 110.058 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.435 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 1.1 ttp180 -140.87 138.53 34.01 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.024 -0.732 . . . . 71.34 109.024 175.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.65 139.46 53.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.64 0.257 . . . . 62.12 110.313 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.372 0 CA-C-O 121.106 0.479 . . . . 64.44 110.474 -178.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.4 ' HD3' ' CE1' ' A' ' 86' ' ' PHE . 13.0 ptp180 . . . . . 0 C--O 1.236 0.38 0 CA-C-O 121.677 0.751 . . . . 64.43 109.307 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -25.14 8.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.249 -1.341 . . . . 74.41 112.491 -174.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -49.86 -50.57 45.16 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.599 0.562 . . . . 74.2 110.688 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.672 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 10.9 m95 -70.21 -49.61 48.46 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.535 -0.757 . . . . 64.15 109.676 -175.027 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.3 mm -56.06 -55.64 17.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.366 -0.834 . . . . 64.04 110.325 -176.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -61.61 -52.7 63.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.705 -0.68 . . . . 52.23 111.213 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.99 -54.49 38.26 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.354 0.597 . . . . 53.54 111.252 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.877 HG12 HD23 ' A' ' 71' ' ' LEU . 38.2 mt -68.83 -49.14 66.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.926 -0.579 . . . . 71.32 111.656 -174.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -58.78 -37.65 76.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.673 0.273 . . . . 75.53 111.607 -178.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -79.53 -28.34 41.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.487 -0.324 . . . . 64.43 111.754 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 31.9 m-70 -91.01 -23.31 20.42 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 113.473 0.916 . . . . 73.35 113.473 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.554 ' O ' ' HE3' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -69.57 166.88 18.01 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.291 0.567 . . . . 71.4 111.654 -173.901 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.251 1.159 0 CA-C-N 115.638 -0.71 . . . . 44.03 109.601 176.479 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.454 ' CD ' ' HE2' ' A' ' 115' ' ' HIS . 6.4 mm-40 . . . . . 0 CA--C 1.521 -0.167 0 CA-C-O 121.26 0.553 . . . . 74.52 110.006 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.605 ' NE ' ' HA ' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -156.04 128.46 7.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.791 -0.64 . . . . 71.13 109.886 172.787 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 4.3 p -140.02 123.78 17.38 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.149 -0.478 . . . . 64.04 109.793 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.55 170.7 43.76 Favored Glycine 0 C--N 1.319 -0.364 0 C-N-CA 120.192 -1.004 . . . . 60.51 112.576 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.89 HG13 ' HE3' ' A' ' 44' ' ' TRP . 1.7 m -95.66 141.08 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.146 0.498 . . . . 63.34 111.639 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.608 HD22 ' HA ' ' A' ' 97' ' ' LEU . 34.1 tp -119.98 130.29 54.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.521 -0.763 . . . . 50.52 110.232 174.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.5 p -76.51 94.5 3.71 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.011 -0.54 . . . . 74.11 110.233 176.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 tptp . . . . . 0 C--N 1.324 -0.511 0 N-CA-C 109.492 -0.558 . . . . 53.41 109.492 179.526 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 108.084 -1.08 . . . . 75.32 108.084 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.644 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 65.7 m-20 -93.68 107.44 19.31 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.154 0.502 . . . . 74.35 110.562 -176.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.527 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 3.1 ptm180 -93.91 137.12 33.48 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.374 -0.83 . . . . 73.13 109.481 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.89 ' HE3' HG13 ' A' ' 29' ' ' VAL . 69.1 t-105 -93.0 112.88 25.0 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 109.614 -0.513 . . . . 74.01 109.614 -176.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 22.1 m -109.71 141.21 25.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-O 121.242 0.544 . . . . 74.25 110.792 -175.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.463 ' O ' HD12 ' A' ' 52' ' ' LEU . 36.4 t -131.44 118.55 40.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.106 -0.952 . . . . 65.01 110.689 -177.135 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.7 tt -103.29 121.78 43.43 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.525 -0.917 . . . . 75.02 108.525 174.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.427 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 57.6 tptt -169.01 141.95 2.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.695 -0.229 . . . . 72.0 110.472 -177.158 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.52 24.57 14.1 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.387 -0.369 . . . . 72.4 111.169 175.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.595 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 4.1 t-20 72.36 5.03 5.18 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.523 0.729 . . . . 40.22 110.593 -178.068 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.97 150.3 25.82 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.75 -0.659 . . . . 52.02 109.481 177.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.463 HD12 ' O ' ' A' ' 46' ' ' VAL . 32.1 tp -124.86 132.03 53.37 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.273 -0.64 . . . . 63.42 109.273 176.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.6 m -137.66 153.9 49.77 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.71 -0.677 . . . . 64.3 109.565 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.648 ' HB3' ' CZ3' ' A' ' 95' ' ' TRP . 0.7 OUTLIER -137.09 152.58 50.19 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.228 -0.589 . . . . 72.15 110.5 178.133 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.512 ' HD2' ' HD1' ' A' ' 44' ' ' TRP . 25.7 m-85 -129.35 167.43 17.77 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.236 -0.893 . . . . 72.53 108.592 -174.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.597 ' HB2' ' CG ' ' A' ' 63' ' ' TYR . 31.6 mmmt -58.02 -35.31 71.09 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 123.538 0.524 . . . . 53.15 111.413 -179.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.591 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 15.8 t -171.74 -168.44 0.59 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.396 -0.366 . . . . 73.43 110.043 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -59.76 -28.48 67.43 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 123.349 0.66 . . . . 74.02 111.538 -173.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.542 ' OD2' ' HB3' ' A' ' 62' ' ' GLU . 12.7 t70 -78.59 48.8 0.82 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.893 0.854 . . . . 75.1 109.581 178.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -46.13 -32.99 3.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.252 -1.34 . . . . 75.3 113.236 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 p -58.35 -45.81 87.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.785 0.326 . . . . 55.41 111.552 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.542 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.4 tp10 -85.29 -47.38 10.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.383 -0.371 . . . . 74.11 110.728 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.597 ' CG ' ' HB2' ' A' ' 56' ' ' LYS . 18.2 m-85 -60.9 -31.33 70.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.412 0.523 . . . . 74.33 112.412 -173.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.68 160.06 10.26 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.494 -0.86 . . . . 35.25 113.449 173.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.9 m -64.28 117.95 7.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.219 0.533 . . . . 72.02 110.596 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.481 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 24.1 mmt180 -105.18 -6.43 19.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.815 -0.629 . . . . 72.52 110.844 -178.434 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -164.63 146.01 10.9 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.318 -0.856 . . . . 63.3 111.178 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.6 t -151.8 125.64 9.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.866 0.365 . . . . 74.21 110.818 -178.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.477 HD13 ' CD1' ' A' ' 95' ' ' TRP . 28.6 pt -136.12 153.84 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.121 -0.49 . . . . 73.03 110.423 176.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 73.5 m -104.93 116.98 32.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.963 -0.562 . . . . 62.24 110.309 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.69 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 8.3 mp -78.75 9.3 4.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.834 -0.621 . . . . 72.41 111.353 -174.19 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.0 m -66.03 -32.07 73.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.813 -0.63 . . . . 72.25 110.654 176.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.449 ' N ' ' HD3' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -132.69 6.91 4.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.631 -0.713 . . . . 74.31 110.574 -179.053 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.69 ' HB3' ' HA ' ' A' ' 71' ' ' LEU . . . -79.93 125.59 29.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.917 -0.583 . . . . 75.53 110.162 177.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.3 t -83.35 120.14 34.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.846 0.355 . . . . 61.22 111.077 -174.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.542 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 53.7 mt -75.04 118.45 20.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.102 -0.499 . . . . 65.24 110.009 176.087 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.478 ' HB ' ' CG ' ' A' ' 87' ' ' ASP . 91.5 m -104.77 96.54 10.76 Favored Pre-proline 0 C--N 1.318 -0.767 0 N-CA-C 109.949 -0.389 . . . . 61.2 109.949 173.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.542 ' HD3' ' O ' ' A' ' 76' ' ' ILE . 6.1 Cg_exo -78.41 116.49 3.87 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.381 2.054 . . . . 54.22 110.619 176.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.522 ' HB2' ' HD2' ' A' ' 85' ' ' ARG . 3.1 t-80 -59.13 132.02 52.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.999 0.428 . . . . 72.32 109.931 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -78.75 -32.87 46.82 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.25 0.547 . . . . 72.43 110.447 -173.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -75.99 -26.04 56.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.642 -0.708 . . . . 64.15 110.819 176.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.526 ' HB2' ' HB3' ' A' ' 85' ' ' ARG . 11.3 m-20 -117.58 107.48 14.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.38 -0.373 . . . . 75.31 111.105 -176.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 105' ' ' ARG . 47.1 mm-40 -64.59 -22.74 67.05 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.047 -0.524 . . . . 74.33 111.752 -177.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.641 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 64.4 m -104.02 -10.66 17.9 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.747 -0.381 . . . . 71.52 111.715 -177.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.526 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 2.0 ttm180 -93.19 142.29 27.47 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.45 -0.5 . . . . 63.32 110.933 -175.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.74 ' CE1' ' HB3' ' A' ' 97' ' ' LEU . 1.7 p90 -148.38 158.4 44.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.614 -0.721 . . . . 65.43 109.462 176.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.478 ' CG ' ' HB ' ' A' ' 77' ' ' THR . 3.4 p30 -137.04 127.33 26.39 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.272 0.558 . . . . 75.35 110.179 175.136 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.789 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 42.8 mm -86.05 99.16 7.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.826 -0.624 . . . . 64.52 110.419 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.0 p -95.72 103.1 14.96 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.563 0.697 . . . . 74.03 110.954 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.762 HG22 ' H ' ' A' ' 91' ' ' ASN . 7.4 p -117.31 -173.96 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.253 -1.017 . . . . 75.32 108.253 175.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.762 ' H ' HG22 ' A' ' 90' ' ' VAL . 17.3 m-20 -44.27 101.86 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.492 0.717 . . . . 65.12 112.002 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.4 t70 51.34 32.2 8.1 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 123.408 0.683 . . . . 65.1 112.051 177.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.489 ' HB2' ' CG1' ' A' ' 90' ' ' VAL . 39.3 m -146.33 107.44 4.18 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.012 -0.43 . . . . 52.11 110.579 178.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.8 t -106.77 114.61 46.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.779 -0.452 . . . . 65.3 109.779 177.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.789 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 21.9 m95 -103.08 96.06 6.54 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.215 -0.448 . . . . 62.41 111.735 -174.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -73.38 139.78 46.17 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.022 -0.535 . . . . 64.51 110.12 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.74 ' HB3' ' CE1' ' A' ' 86' ' ' PHE . 45.0 tp -165.07 176.36 8.61 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.782 -0.821 . . . . 71.31 108.782 175.391 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.531 ' H ' ' HG ' ' A' ' 97' ' ' LEU . 23.2 ttm-85 -154.72 150.27 27.43 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.692 -0.485 . . . . 60.42 109.692 -176.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.641 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . . . -67.93 151.98 46.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.257 -0.428 . . . . 61.11 109.875 174.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.597 ' H ' HE21 ' A' ' 100' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 115.646 -0.706 . . . . 72.54 112.183 -177.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.478 ' O ' HG12 ' A' ' 109' ' ' ILE . 8.1 ptt180 . . . . . 0 N--CA 1.466 0.345 0 CA-C-O 120.791 0.329 . . . . 73.04 111.742 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HG2' ' H ' ' A' ' 106' ' ' GLN . 4.7 pt20 -55.0 -26.15 34.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.903 -0.59 . . . . 74.22 112.403 -178.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -49.18 -56.29 9.71 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 122.335 1.064 . . . . 72.11 109.964 171.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.563 ' CH2' ' HG2' ' A' ' 26' ' ' ARG . 8.3 m95 -78.95 -39.72 33.79 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 113.77 -1.559 . . . . 63.21 109.782 -170.398 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 105' ' ' ARG . 39.8 mm -55.65 -52.78 44.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.959 -0.564 . . . . 73.34 109.779 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.17 -50.76 69.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.411 -0.359 . . . . 51.54 111.498 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.78 -55.84 27.65 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-O 121.533 0.682 . . . . 75.1 111.148 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.667 HG12 HD23 ' A' ' 71' ' ' LEU . 55.1 mt -65.03 -51.55 64.86 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 CA-C-N 115.75 -0.659 . . . . 75.0 110.703 -176.096 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.647 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 4.9 mm-40 -50.63 -44.67 57.39 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.176 0.512 . . . . 72.24 111.4 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -76.45 -18.79 58.61 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.087 -0.506 . . . . 55.34 111.591 -177.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.595 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 11.2 m-70 -97.07 -23.86 16.05 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 114.143 1.164 . . . . 72.12 114.143 176.434 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.647 ' HE2' ' O ' ' A' ' 113' ' ' GLU . 0.0 OUTLIER -86.14 169.76 12.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 118.662 0.664 . . . . 73.13 111.563 -176.622 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 66.9 p . . . . . 0 C--O 1.252 1.235 0 CA-C-N 115.023 -0.99 . . . . 53.21 110.617 -174.027 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.664 ' HG2' ' HA ' ' A' ' 48' ' ' LYS . 4.0 mm-40 . . . . . 0 CA--C 1.52 -0.183 0 CA-C-O 121.271 0.558 . . . . 54.53 110.2 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.716 ' HA ' ' HE ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -141.03 119.51 12.3 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.322 -0.621 . . . . 75.35 109.322 177.84 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 3.6 p -135.88 115.33 12.68 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.471 -0.331 . . . . 74.43 110.199 -179.037 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -168.48 163.51 37.23 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 119.861 -1.161 . . . . 61.42 113.065 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.851 HG13 ' HE3' ' A' ' 44' ' ' TRP . 4.5 m -92.74 143.85 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.893 0.378 . . . . 74.4 110.566 176.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.599 ' O ' ' HA ' ' A' ' 42' ' ' ASP . 2.5 pt? -139.7 165.57 26.91 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.984 -0.553 . . . . 62.5 110.545 177.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.9 p -97.37 110.77 23.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.409 0.623 . . . . 60.34 111.345 -174.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 16.8 tptm . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 115.933 -0.576 . . . . 75.43 109.845 176.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 120.953 0.406 . . . . 74.13 110.425 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.599 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 8.5 p-10 -94.35 136.47 34.61 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.541 -0.754 . . . . 74.24 110.91 -173.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.558 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 18.9 ptp180 -130.41 150.06 51.81 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.123 -0.944 . . . . 74.33 109.205 176.194 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.851 ' HE3' HG13 ' A' ' 29' ' ' VAL . 63.4 t-105 -99.47 120.4 39.56 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 123.463 0.477 . . . . 71.2 109.964 -175.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.525 HG12 ' HB2' ' A' ' 54' ' ' TYR . 29.0 m -116.5 144.15 24.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.086 0.469 . . . . 74.34 111.03 -177.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.571 ' O ' HD12 ' A' ' 52' ' ' LEU . 77.2 t -130.0 115.23 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.1 -0.955 . . . . 60.21 111.247 -176.23 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -101.09 123.47 45.3 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.64 -0.874 . . . . 73.42 108.64 175.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.664 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 60.6 pttt -177.77 160.0 1.47 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 110.082 -0.34 . . . . 75.31 110.082 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 56.67 26.14 10.9 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.281 0.474 . . . . 60.51 112.281 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.566 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 2.8 t-20 67.89 13.64 9.22 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.381 0.61 . . . . 74.33 110.479 -177.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -123.39 172.08 8.95 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.744 -0.662 . . . . 75.12 110.21 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 46' ' ' VAL . 56.0 tp -143.43 138.75 29.55 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.962 -0.563 . . . . 72.41 109.511 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.6 p -142.77 151.45 41.24 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 110.058 -0.349 . . . . 64.12 110.058 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.651 ' HB3' ' CZ3' ' A' ' 95' ' ' TRP . 1.4 p90 -131.71 151.42 51.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.47 0.652 . . . . 63.23 110.922 177.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.485 ' HD1' ' HD1' ' A' ' 44' ' ' TRP . 15.5 m-85 -133.41 173.73 11.16 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.878 -1.055 . . . . 74.43 109.317 -174.409 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.459 ' HG2' ' HE ' ' A' ' 66' ' ' ARG . 69.5 mmtt -62.78 -49.8 73.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.664 -0.698 . . . . 70.23 111.277 178.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.64 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 50.5 m -147.44 179.79 7.41 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.296 -0.411 . . . . 70.33 110.44 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.41 ' HG3' ' CH2' ' A' ' 44' ' ' TRP . 38.7 tt0 -60.19 -26.69 66.55 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.967 0.728 . . . . 73.5 112.967 -171.31 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.566 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 16.3 t70 -52.08 -37.74 54.89 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.054 0.39 . . . . 61.32 112.054 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 59.46 -63.59 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.286 1.034 . . . . 71.43 113.629 -173.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.4 t -49.25 -51.9 30.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 114.042 1.127 . . . . 74.33 114.042 -163.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' HG2' ' OD2' ' A' ' 59' ' ' ASP . 14.0 pt-20 -100.2 16.27 24.8 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.883 -0.727 . . . . 44.3 111.267 -177.12 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.64 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 20.7 m-85 -106.91 -8.04 16.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.625 -0.716 . . . . 73.12 109.859 172.2 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.34 -114.61 3.89 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.617 -0.72 . . . . 52.11 112.428 171.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 41.6 t -169.32 112.88 0.52 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.335 -0.987 . . . . 73.0 108.335 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.459 ' HE ' ' HG2' ' A' ' 56' ' ' LYS . 29.5 mmt180 -91.35 -11.35 38.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.916 0.389 . . . . 71.11 111.465 -170.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 178.01 145.22 5.85 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.21 -0.756 . . . . 55.3 111.21 177.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.5 t -154.81 139.66 17.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.055 0.455 . . . . 75.3 110.307 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.459 ' HB ' HG11 ' A' ' 90' ' ' VAL . 38.6 pt -134.9 171.22 18.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.677 -0.692 . . . . 74.01 110.234 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.508 ' HB3' ' HD3' ' A' ' 73' ' ' LYS . 8.8 t -120.88 132.28 54.88 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.783 -0.451 . . . . 73.04 109.783 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.585 ' HG ' HG12 ' A' ' 112' ' ' ILE . 4.2 mm? -77.82 -1.69 32.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.29 -0.414 . . . . 74.21 111.484 -176.19 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.4 m -66.02 -26.94 67.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.212 -0.449 . . . . 63.04 110.949 177.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.508 ' HD3' ' HB3' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -127.13 -10.33 5.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 72.03 111.554 -177.761 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.74 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -70.83 141.44 51.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.885 0.374 . . . . 53.53 111.454 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.5 t -106.16 126.4 61.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.069 -0.514 . . . . 63.45 110.438 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.438 HD11 ' CD1' ' A' ' 112' ' ' ILE . 59.4 mt -80.64 117.39 26.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.028 -0.533 . . . . 63.42 110.011 177.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.695 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 6.5 m -111.57 99.43 44.52 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 116.133 -0.485 . . . . 53.22 110.637 -177.558 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 77' ' ' THR . 32.7 Cg_endo -65.14 134.8 40.9 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.47 2.114 . . . . 61.53 112.201 -178.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -86.47 114.72 23.46 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.043 -0.725 . . . . 75.33 109.043 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -75.26 -30.4 60.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.76 0.314 . . . . 71.34 111.208 -173.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -70.07 -15.4 62.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.246 0.546 . . . . 73.11 109.812 174.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -115.5 -174.32 2.49 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.204 -1.036 . . . . 65.43 108.204 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -134.27 -19.44 1.94 Allowed 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.166 0.508 . . . . 71.35 109.923 178.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.779 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 59.1 m -122.46 1.42 9.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.741 -0.663 . . . . 61.15 110.951 -177.167 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.508 ' HB2' ' HG3' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -95.59 133.0 40.14 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.425 0.631 . . . . 52.11 111.081 -179.709 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -138.9 118.17 12.73 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.938 -1.028 . . . . 74.21 110.421 -174.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.695 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 12.9 t70 -90.28 119.3 30.47 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.814 -1.084 . . . . 74.25 110.11 -176.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.853 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 20.2 mm -96.73 110.24 24.48 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 N-CA-C 109.488 -0.56 . . . . 72.11 109.488 -178.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.8 p -115.45 123.32 48.3 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 119.767 -0.773 . . . . 74.03 111.506 -176.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.74 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 9.2 p -164.04 136.63 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.342 -0.845 . . . . 52.32 109.401 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.526 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 9.7 m120 60.02 23.55 12.71 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.019 0.378 . . . . 70.53 112.019 178.157 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.526 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 13.7 t70 75.09 -7.35 1.78 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.717 0.635 . . . . 70.1 111.285 -174.575 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.9 m -79.09 119.58 22.42 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.161 -0.681 . . . . 71.44 109.161 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.39 120.09 59.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.144 -0.48 . . . . 64.04 110.729 -175.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.853 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 35.2 m95 -115.09 106.84 14.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.955 0.407 . . . . 63.34 111.024 -175.216 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -83.18 94.23 7.82 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.581 -0.281 . . . . 73.44 110.687 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.14 153.01 17.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.368 -0.378 . . . . 75.15 110.097 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.508 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 7.1 ttp85 -149.67 146.68 27.39 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.887 -0.412 . . . . 75.11 109.887 176.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.779 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . . . -68.19 152.8 44.93 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.055 174.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 C--N 1.325 -0.458 0 N-CA-C 109.977 -0.379 . . . . 73.44 109.977 -176.539 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 112.894 0.701 . . . . 64.12 112.894 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -56.67 -24.3 47.88 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.032 0.382 . . . . 65.11 112.032 -174.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -57.49 -48.47 79.13 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.223 0.535 . . . . 73.34 109.634 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.511 ' CH2' ' HG2' ' A' ' 26' ' ' ARG . 13.9 m95 -72.09 -48.38 44.44 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.33 -0.85 . . . . 72.45 109.426 -174.609 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 26.5 mm -56.01 -56.28 13.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.178 -0.919 . . . . 61.15 110.316 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -60.48 -50.87 71.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.752 -0.658 . . . . 62.42 111.297 -177.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.96 -55.13 34.11 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.194 0.521 . . . . 65.52 111.031 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.585 HG12 ' HG ' ' A' ' 71' ' ' LEU . 61.1 mt -65.89 -51.88 55.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.994 -0.548 . . . . 73.14 111.396 -175.488 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -60.43 -29.25 68.89 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.05 0.389 . . . . 73.32 112.05 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -86.33 -23.19 26.33 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.709 -0.396 . . . . 74.24 111.778 177.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.566 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 58.1 m-70 -94.58 -18.22 21.61 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.506 0.928 . . . . 64.23 113.506 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.48 ' O ' ' HE3' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -63.26 160.88 14.81 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.114 0.483 . . . . 74.33 111.948 -177.234 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.633 -1.175 . . . . 75.05 109.193 -176.172 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.406 ' CD ' ' HE2' ' A' ' 115' ' ' HIS . 11.2 mm-40 . . . . . 0 CA--C 1.521 -0.146 0 CA-C-O 121.431 0.634 . . . . 71.3 110.122 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.718 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 7.4 tpm_? -136.8 121.24 18.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.685 -0.689 . . . . 63.5 110.494 175.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.2 p -127.46 116.97 21.24 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.245 -1.02 . . . . 70.51 108.245 170.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.54 169.88 40.81 Favored Glycine 0 CA--C 1.506 -0.506 0 C-N-CA 119.746 -1.216 . . . . 74.51 112.713 -178.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.61 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 5.4 m -92.24 136.21 25.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.445 0.64 . . . . 75.11 111.804 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.8 tp -108.13 118.91 38.0 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.96 -1.018 . . . . 73.04 108.914 175.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -88.46 102.05 14.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.933 -0.576 . . . . 74.31 110.491 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 32' ' ' LYS . 32.3 tptt . . . . . 0 C--N 1.326 -0.433 0 N-CA-C 108.741 -0.837 . . . . 75.35 108.741 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 . . . . . 0 N--CA 1.445 -0.719 0 N-CA-C 108.123 -1.065 . . . . 75.04 108.123 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.61 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 8.2 p-10 -93.25 132.37 37.49 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.097 0.475 . . . . 72.01 110.291 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.465 ' HD2' ' CD2' ' A' ' 54' ' ' TYR . 25.4 ptt180 -122.76 150.72 42.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.842 -0.617 . . . . 75.03 109.737 177.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.438 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 61.9 t-105 -92.49 116.99 29.48 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.726 -0.389 . . . . 65.51 110.938 -171.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.1 m -110.61 140.12 31.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.145 0.497 . . . . 62.23 110.775 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 42.1 t -131.59 124.71 54.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.314 -0.857 . . . . 70.3 111.045 -177.099 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.1 tp -109.37 127.42 54.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.047 -0.524 . . . . 54.4 110.224 176.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -163.22 156.92 19.75 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.62 -0.264 . . . . 63.42 110.418 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.692 ' O ' ' HB3' ' A' ' 115' ' ' HIS . 89.1 m-20 70.42 -74.29 0.09 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.729 0.812 . . . . 71.12 110.563 -179.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.496 ' ND2' ' HA ' ' A' ' 116' ' ' LYS . 62.4 t30 -176.71 22.71 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 106.543 -1.651 . . . . 63.12 106.543 171.086 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.19 147.02 51.87 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.064 -1.425 . . . . 72.55 110.306 -173.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 68' ' ' SER . 30.9 tp -113.95 133.76 55.27 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.838 -0.619 . . . . 74.4 109.948 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 m -127.23 166.52 17.58 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.034 -0.53 . . . . 73.43 109.599 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.465 ' CD2' ' HD2' ' A' ' 43' ' ' ARG . 1.4 p90 -150.25 150.7 31.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.324 0.583 . . . . 64.11 111.257 175.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -131.22 179.64 5.89 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.798 -1.092 . . . . 72.34 108.548 -178.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HB2' ' CD1' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -64.43 -44.37 91.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.627 0.251 . . . . 74.42 111.566 177.915 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.7 t -162.74 -171.32 2.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.555 -0.293 . . . . 72.45 110.45 -176.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.619 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 22.7 tt0 -54.57 -37.14 65.13 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.036 0.754 . . . . 72.52 113.036 -173.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.596 ' OD1' ' HG2' ' A' ' 62' ' ' GLU . 11.4 t70 -47.58 -46.06 27.77 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.472 0.545 . . . . 70.21 112.472 -174.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.619 ' HG3' ' O ' ' A' ' 58' ' ' GLU . 38.5 mt-10 62.98 -51.42 0.19 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.476 1.11 . . . . 73.44 113.774 -176.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.1 t -61.33 -40.22 93.44 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.288 0.847 . . . . 65.33 113.288 -166.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.596 ' HG2' ' OD1' ' A' ' 59' ' ' ASP . 11.0 pt-20 -89.87 6.85 40.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.49 0.662 . . . . 63.21 110.103 -179.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.54 ' CE2' ' HB3' ' A' ' 59' ' ' ASP . 22.4 m-85 -108.12 -33.12 7.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.198 -0.91 . . . . 55.44 110.131 178.406 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.02 -86.27 1.28 Allowed Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.218 -0.753 . . . . 54.41 111.218 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.2 t -172.13 133.2 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.537 -0.912 . . . . 71.1 108.537 174.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.55 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 9.9 mmm180 -96.38 -33.17 12.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.013 0.435 . . . . 62.32 110.909 -176.576 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -169.57 155.6 25.84 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.728 -0.748 . . . . 50.31 111.808 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 51.7 p -155.81 134.6 11.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.529 0.204 . . . . 65.33 110.784 -178.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.41 HD13 ' CD1' ' A' ' 95' ' ' TRP . 42.7 pt -127.46 157.07 39.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.38 -0.373 . . . . 64.14 110.359 178.181 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.527 ' HB3' ' HE2' ' A' ' 73' ' ' LYS . 39.7 t -102.53 133.45 47.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.868 0.366 . . . . 72.23 110.124 177.195 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.566 HD13 ' HB3' ' A' ' 74' ' ' ALA . 4.3 mm? -80.66 4.78 17.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.239 -0.437 . . . . 44.32 111.279 -178.453 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.2 t -77.89 -23.24 48.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.925 0.393 . . . . 62.2 110.241 177.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.527 ' HE2' ' HB3' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -133.21 11.23 4.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.308 -0.405 . . . . 73.31 111.126 177.635 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.566 ' HB3' HD13 ' A' ' 71' ' ' LEU . . . -94.73 128.49 41.45 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.427 -0.583 . . . . 71.01 109.427 175.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.4 t -90.56 123.67 42.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.853 0.359 . . . . 73.14 111.173 -176.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.445 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 57.1 mt -82.38 104.63 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.12 -0.491 . . . . 72.33 110.021 174.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.814 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 8.9 m -98.3 104.56 23.9 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 116.074 -0.512 . . . . 62.12 110.337 177.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 76' ' ' ILE . 33.7 Cg_exo -61.44 128.87 26.14 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.516 2.144 . . . . 74.04 111.781 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.785 ' HB3' ' HB3' ' A' ' 85' ' ' ARG . 4.4 t60 -86.48 141.28 29.21 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.757 -0.831 . . . . 75.33 108.757 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -93.59 -42.82 9.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.994 0.426 . . . . 40.34 111.161 -174.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -60.51 -26.21 66.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.661 -0.7 . . . . 73.41 110.563 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.765 ' HB3' ' HB2' ' A' ' 85' ' ' ARG . 26.1 t0 -128.99 121.84 28.81 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 108.894 -0.78 . . . . 72.42 108.894 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.53 -19.18 60.97 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 123.68 0.612 . . . . 73.03 110.357 -176.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.712 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 67.2 m -103.84 -2.96 25.5 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.685 -0.689 . . . . 62.41 111.135 -177.192 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.785 ' HB3' ' HB3' ' A' ' 79' ' ' HIS . 1.4 tpp180 -87.63 136.84 32.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 64.22 111.966 -177.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.757 ' HE2' ' HB2' ' A' ' 105' ' ' ARG . 42.2 m-85 -135.39 125.52 26.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.23 0.538 . . . . 72.11 110.676 174.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.814 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 9.4 t70 -92.49 103.08 15.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.171 -0.922 . . . . 70.15 110.019 -178.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.835 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 29.0 mm -91.04 93.07 4.17 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 CA-C-N 115.839 -0.619 . . . . 72.51 110.207 -178.049 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.26 107.82 17.72 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 121.816 0.817 . . . . 60.41 112.186 -174.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.675 HG22 ' H ' ' A' ' 91' ' ' ASN . 9.8 p -100.24 -174.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 106.66 -1.607 . . . . 54.12 106.66 167.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.675 ' H ' HG22 ' A' ' 90' ' ' VAL . 1.3 p-10 -55.72 121.39 9.04 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 118.794 0.725 . . . . 65.1 110.865 175.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.7 t70 75.32 -39.78 0.41 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.286 -1.324 . . . . 72.52 112.693 173.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.4 m -97.13 122.33 40.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 75.41 111.732 -171.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.9 t -118.0 121.4 67.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.962 -0.563 . . . . 63.12 110.077 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.835 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 30.4 m95 -112.72 105.21 13.3 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.677 0.275 . . . . 72.1 110.648 -175.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -80.67 83.76 6.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.422 -0.354 . . . . 74.0 110.262 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.1 mt -84.46 161.21 20.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.118 -0.492 . . . . 72.14 109.909 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.482 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 5.2 ttt180 -157.3 151.93 25.38 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.874 -0.33 . . . . 72.55 110.432 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.712 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . . . -62.53 139.94 58.62 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.39 -0.596 . . . . 62.41 109.39 171.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 116.281 -0.418 . . . . 63.42 110.772 -174.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.757 ' HB2' ' HE2' ' A' ' 86' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.47 0 N-CA-C 112.143 0.423 . . . . 54.32 112.143 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.426 ' HA ' HG12 ' A' ' 109' ' ' ILE . 5.7 pt20 -64.2 -5.62 5.26 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.99 0.367 . . . . 64.1 111.99 -179.129 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -51.42 -46.73 63.04 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.109 -0.7 . . . . 70.41 109.109 170.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.718 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 14.1 m95 -68.83 -46.84 67.52 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.347 -0.842 . . . . 73.21 109.281 -176.225 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.426 HG12 ' HA ' ' A' ' 106' ' ' GLN . 23.8 mm -57.49 -60.4 2.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.147 -0.933 . . . . 72.51 110.289 -177.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.8 -51.55 69.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.242 -0.435 . . . . 73.41 110.997 -176.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.11 -57.68 11.52 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.968 0.413 . . . . 72.34 111.031 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 49.8 mt -62.96 -53.07 51.3 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.66 0 CA-C-N 116.412 -0.358 . . . . 71.42 110.942 -176.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -55.73 -36.0 66.77 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.704 0.288 . . . . 72.32 111.599 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -76.85 -30.36 56.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.742 0.306 . . . . 54.13 111.172 177.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.692 ' HB3' ' O ' ' A' ' 49' ' ' ASN . 10.0 m-70 -90.15 -20.26 23.29 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.805 1.039 . . . . 74.51 113.805 -175.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.496 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -76.68 159.09 30.51 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.588 0.709 . . . . 43.32 112.221 -176.658 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 46.4 p . . . . . 0 C--O 1.25 1.104 0 CA-C-N 114.803 -1.09 . . . . 62.11 110.543 -177.037 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.412 ' OE1' ' HA ' ' A' ' 48' ' ' LYS . 4.6 mp0 . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 120.881 0.372 . . . . 45.32 111.64 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 3.9 tpm_? -141.67 122.95 14.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.44 -0.346 . . . . 62.41 110.451 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.2 p -146.52 101.75 3.5 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.26 174.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.96 167.67 39.53 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.63 -0.795 . . . . 50.15 112.363 -176.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.857 HG13 ' HE3' ' A' ' 44' ' ' TRP . 2.9 m -84.79 132.85 30.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.529 0.681 . . . . 72.5 111.74 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.563 HD22 HD13 ' A' ' 97' ' ' LEU . 61.7 tp -110.75 126.72 54.88 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.098 -0.955 . . . . 74.3 109.353 177.24 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.56 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 14.4 p -85.76 114.9 23.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.939 0.399 . . . . 40.33 110.817 178.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.2 tptt . . . . . 0 C--N 1.324 -0.541 0 N-CA-C 108.742 -0.836 . . . . 61.44 108.742 178.483 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.56 ' O ' ' HA ' ' A' ' 31' ' ' SER . 16.8 mm-40 . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 121.086 0.469 . . . . 55.43 110.845 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.627 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 42.2 m-20 -103.96 116.31 32.02 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.115 -0.948 . . . . 73.55 109.878 -178.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.72 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 11.6 ptm180 -107.94 132.52 53.4 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.704 -0.68 . . . . 74.11 109.662 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.857 ' HE3' HG13 ' A' ' 29' ' ' VAL . 68.5 t-105 -81.07 110.1 16.27 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.506 -0.553 . . . . 70.44 109.506 -176.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.601 HG11 HD11 ' A' ' 97' ' ' LEU . 3.0 t -108.65 128.34 64.43 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-O 121.21 0.529 . . . . 73.45 111.101 -173.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.574 ' O ' HD12 ' A' ' 52' ' ' LEU . 45.9 t -124.52 125.14 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.238 -0.892 . . . . 72.45 111.082 -178.117 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.456 HD23 HD13 ' A' ' 52' ' ' LEU . 3.3 tm? -121.9 119.45 31.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.813 -0.63 . . . . 70.44 109.839 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.412 ' HA ' ' OE1' ' A' ' 25' ' ' GLU . 23.2 pttm -174.88 179.66 1.59 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.237 0.335 . . . . 75.11 111.069 175.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 62.68 -75.92 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.45 0.7 . . . . 34.35 111.185 -175.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 52.6 t30 -179.75 28.72 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 105.811 -1.922 . . . . 71.03 105.811 172.037 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -139.31 151.35 46.34 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 113.987 -1.46 . . . . 71.01 110.662 -173.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 46' ' ' VAL . 62.5 tp -120.28 132.15 55.2 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.789 -1.096 . . . . 74.41 108.711 177.61 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.523 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 20.3 m -141.67 135.38 29.84 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.414 -0.357 . . . . 64.34 110.08 -174.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.72 ' HD2' ' HB2' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -127.06 154.7 44.35 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.421 -0.512 . . . . 75.12 110.841 -179.127 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.431 ' CD1' ' HD1' ' A' ' 44' ' ' TRP . 10.1 m-85 -135.02 175.26 9.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.432 -0.803 . . . . 70.3 109.792 -172.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' A' ' 56' ' ' LYS . 3.4 mmpt? -61.85 -53.01 61.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 71.12 111.319 178.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.562 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 69.9 m -154.75 -164.25 1.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.63 -0.259 . . . . 70.45 110.726 -178.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -66.81 -33.64 76.06 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.331 0.493 . . . . 75.24 112.331 -168.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -78.14 53.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 122.184 0.993 . . . . 74.33 109.262 175.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG3' ' H ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -52.73 -20.36 3.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.048 -1.433 . . . . 73.34 113.728 -177.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.7 t -64.77 -45.63 85.56 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.611 0.226 . . . . 74.41 111.611 -178.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -86.96 -24.79 24.62 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.224 0.535 . . . . 64.25 110.393 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 18.5 m-85 -78.31 -23.41 47.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.122 -0.49 . . . . 74.43 111.697 -175.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.36 153.12 3.78 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.998 -0.62 . . . . 70.32 113.211 173.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.4 p -71.92 104.59 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.44 0.638 . . . . 65.15 110.395 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.443 ' HA ' ' HD3' ' A' ' 66' ' ' ARG . 20.4 mmt180 -77.26 -40.62 44.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.24 -0.891 . . . . 72.34 110.464 -177.11 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.523 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -134.98 130.46 5.48 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 110.515 -1.034 . . . . 61.12 110.515 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.4 p -144.59 115.28 7.72 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.17 0.509 . . . . 74.12 110.277 -176.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.438 HD13 ' CD1' ' A' ' 95' ' ' TRP . 18.7 pt -121.22 151.42 24.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.898 -0.592 . . . . 72.22 111.654 -177.422 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 67.7 m -99.35 122.9 43.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.222 -0.899 . . . . 53.24 109.549 178.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.0 HD23 HG12 ' A' ' 112' ' ' ILE . 7.9 mp -85.98 27.24 0.91 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.803 -0.635 . . . . 75.22 111.288 -173.224 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.8 m -78.38 -28.95 47.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.805 -0.634 . . . . 44.53 110.051 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.72 14.69 3.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.575 -0.739 . . . . 73.42 110.582 -177.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.818 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -71.74 124.85 25.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.763 -0.653 . . . . 74.0 110.743 177.482 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.8 t -85.39 119.2 33.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.842 -0.617 . . . . 75.12 110.569 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.3 mt -80.68 108.84 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.26 0.552 . . . . 73.22 109.855 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.7 m -113.5 108.02 52.56 Favored Pre-proline 0 C--N 1.316 -0.868 0 CA-C-N 115.423 -0.808 . . . . 73.15 111.175 -174.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -59.9 131.19 38.26 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.047 1.831 . . . . 72.22 110.681 174.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -76.96 153.45 34.58 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.965 -0.694 . . . . 75.53 109.972 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.15 -69.28 0.54 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.99 -0.55 . . . . 74.21 111.113 -172.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -70.62 -34.86 72.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.152 0.501 . . . . 62.4 111.071 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.485 ' HB2' ' HB3' ' A' ' 85' ' ' ARG . 7.7 m-20 -98.45 113.68 25.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.016 -0.538 . . . . 73.11 109.884 -177.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -82.35 -27.12 32.36 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.124 0.488 . . . . 65.14 110.903 -176.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 98' ' ' ARG . 20.1 m -86.69 1.2 52.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.342 0.591 . . . . 65.12 109.556 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.837 ' HD2' ' HB3' ' A' ' 96' ' ' TYR . 9.7 tpp180 -104.87 129.35 53.22 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.989 -1.005 . . . . 72.5 111.193 -175.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.517 ' CE1' ' HG3' ' A' ' 105' ' ' ARG . 5.4 m-85 -127.92 125.84 40.35 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.255 -0.884 . . . . 74.32 109.027 174.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.508 ' HA ' ' O ' ' A' ' 95' ' ' TRP . 27.4 t0 -102.21 129.07 48.5 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.023 -0.989 . . . . 64.13 111.002 -173.077 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.61 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 4.3 mp -104.73 106.77 21.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 CA-C-N 114.658 -1.156 . . . . 72.44 109.372 -176.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.8 m -106.74 116.38 31.83 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.434 0.635 . . . . 73.43 111.352 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.818 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 11.5 p -159.16 145.76 7.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 108.554 -0.906 . . . . 62.35 108.554 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 12.3 m120 63.94 21.16 12.52 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.456 0.169 . . . . 74.35 111.456 177.188 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 31.4 t70 72.05 -1.07 3.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.438 0.637 . . . . 54.31 110.669 -172.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.3 m -89.28 128.29 35.85 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 109.659 -0.497 . . . . 63.01 109.659 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.4 t -110.28 122.73 65.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.706 -0.679 . . . . 72.21 110.426 -175.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.666 ' HZ3' ' HB3' ' A' ' 54' ' ' TYR . 44.0 m95 -119.46 101.59 8.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.776 0.322 . . . . 74.44 111.858 -174.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.837 ' HB3' ' HD2' ' A' ' 85' ' ' ARG . 52.6 m-85 -83.83 91.94 7.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.599 -0.273 . . . . 71.42 110.908 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.601 HD11 HG11 ' A' ' 45' ' ' VAL . 4.3 mm? -96.32 159.69 14.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.74 0.305 . . . . 71.11 110.988 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 3.2 mtm180 -135.33 149.77 49.82 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.03 -0.359 . . . . 75.3 110.03 176.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.84 142.69 51.24 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.8 -0.444 . . . . 41.01 109.8 175.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.458 ' CD ' ' H ' ' A' ' 100' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 72.32 110.336 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.517 ' HG3' ' CE1' ' A' ' 86' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.375 0 N-CA-C 112.435 0.532 . . . . 73.53 112.435 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -53.26 -17.33 1.68 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.424 -0.353 . . . . 75.43 111.836 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -50.83 -52.42 41.46 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.075 0.464 . . . . 74.44 110.338 173.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.437 ' O ' HG13 ' A' ' 112' ' ' ILE . 14.6 m95 -71.91 -42.88 66.21 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.565 -0.743 . . . . 73.11 109.62 -174.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 28.1 mm -58.77 -60.73 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.365 -0.834 . . . . 75.14 109.98 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -54.41 -48.0 72.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.819 -0.628 . . . . 63.13 111.401 -179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.96 -62.29 1.75 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.465 -0.334 . . . . 74.14 110.928 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 1.0 HG12 HD23 ' A' ' 71' ' ' LEU . 26.1 mt -62.88 -50.37 79.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.624 0 C-N-CA 121.049 -0.26 . . . . 75.11 110.859 -175.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.579 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 7.6 mm-40 -55.06 -37.98 67.44 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.848 0.356 . . . . 72.01 111.69 -177.313 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -85.58 -17.65 35.64 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.811 0.339 . . . . 70.33 111.461 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -91.43 -29.84 16.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.305 0.854 . . . . 72.33 113.305 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.621 ' C ' ' HE3' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -86.24 179.45 6.91 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.436 -0.506 . . . . 73.11 111.439 -176.483 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 C--O 1.251 1.138 0 CA-C-N 115.977 -0.556 . . . . 74.12 110.09 -178.307 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.781 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 9.2 pt-20 . . . . . 0 N--CA 1.445 -0.695 0 CA-C-O 121.119 0.485 . . . . 71.11 111.103 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 2.8 tpm_? -110.16 111.57 22.99 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.428 -0.953 . . . . 55.03 108.428 165.169 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.619 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 2.3 p -118.8 109.21 15.78 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 123.573 0.546 . . . . 61.43 110.218 -177.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -161.58 161.89 33.51 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.337 -0.935 . . . . 62.33 112.415 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.866 HG13 ' HE3' ' A' ' 44' ' ' TRP . 0.3 OUTLIER -88.18 133.17 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.733 0.778 . . . . 74.54 111.709 179.793 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.44 HD22 HD22 ' A' ' 97' ' ' LEU . 57.6 tp -104.56 119.86 39.95 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.76 -1.109 . . . . 55.12 109.576 177.118 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.8 m -83.56 98.92 9.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.852 -0.613 . . . . 62.14 109.907 176.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.418 ' HE3' ' CD1' ' A' ' 96' ' ' TYR . 25.5 tptp . . . . . 0 C--N 1.32 -0.691 0 N-CA-C 109.496 -0.557 . . . . 72.25 109.496 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 109.806 -0.442 . . . . 64.1 109.806 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.443 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 16.1 m-20 -106.49 96.12 6.23 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.507 -0.77 . . . . 72.14 109.335 -178.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.509 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 16.7 ptp180 -93.37 139.24 30.89 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.413 -0.812 . . . . 75.45 110.387 -175.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.866 ' HE3' HG13 ' A' ' 29' ' ' VAL . 67.3 t-105 -94.05 112.12 23.91 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.487 -0.485 . . . . 74.1 110.747 -171.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.744 HG21 HD11 ' A' ' 97' ' ' LEU . 17.1 m -105.25 142.78 17.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 120.924 0.393 . . . . 72.42 110.917 -174.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 52.9 t -131.03 117.04 35.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.491 -0.777 . . . . 61.35 110.804 178.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.781 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 5.7 tt -108.24 105.83 15.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.458 -0.337 . . . . 72.42 110.152 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 49' ' ' ASN . 57.6 tttt -162.3 168.38 22.37 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.814 -0.439 . . . . 63.43 109.814 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.4 ' N ' ' HG2' ' A' ' 48' ' ' LYS . 87.6 m-20 71.38 -72.63 0.11 Allowed 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.17 -0.678 . . . . 62.22 109.17 -172.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.624 ' HA ' ' HB3' ' A' ' 115' ' ' HIS . 57.4 t30 177.5 23.78 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.207 -1.405 . . . . 75.21 107.207 170.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -133.86 147.14 51.14 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 114.658 -1.155 . . . . 51.13 110.175 -176.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.635 HD13 ' HB2' ' A' ' 47' ' ' LEU . 63.8 tp -109.81 125.56 52.86 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.619 -0.882 . . . . 74.53 108.619 173.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 8.6 m -133.87 131.85 39.65 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.022 -0.535 . . . . 65.32 109.751 -172.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.509 ' HD2' ' HB2' ' A' ' 43' ' ' ARG . 3.6 p90 -116.35 152.91 32.95 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.001 -0.68 . . . . 74.14 111.448 -177.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -122.85 170.53 10.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.073 -0.967 . . . . 75.14 108.877 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 63' ' ' TYR . 3.4 tmtp? -60.28 -43.04 96.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.806 -0.633 . . . . 73.54 110.591 -178.196 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.635 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 41.2 m -154.72 -178.99 7.59 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.572 -0.285 . . . . 72.34 110.891 -178.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 38.8 tt0 -59.32 -29.43 67.63 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.947 0.721 . . . . 64.33 112.947 -172.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.625 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 12.6 t70 -56.21 -31.61 63.64 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.808 0.299 . . . . 75.52 111.808 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 58' ' ' GLU . 30.6 mt-10 63.22 -65.35 0.1 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.143 0.977 . . . . 73.14 113.387 -177.009 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.7 t -57.47 -50.01 74.42 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.824 1.046 . . . . 51.33 113.824 -163.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.576 ' HG2' ' OD2' ' A' ' 59' ' ' ASP . 8.1 pt-20 -84.92 1.46 47.18 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.426 -0.51 . . . . 72.22 111.215 -175.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.635 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 38.3 m-85 -104.62 -29.77 10.41 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.193 -0.458 . . . . 74.11 111.046 -179.149 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.55 162.22 13.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.081 -0.58 . . . . 71.1 112.908 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.8 p -76.66 115.73 16.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.289 0.566 . . . . 73.12 109.886 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -88.6 -22.78 23.32 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.683 -0.69 . . . . 65.21 111.261 -174.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -167.41 149.64 15.19 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.498 -0.641 . . . . 43.45 111.498 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.475 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 12.6 p -150.96 127.59 10.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.834 0.35 . . . . 31.54 110.632 -179.006 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.462 HD13 ' CD1' ' A' ' 95' ' ' TRP . 15.1 pt -118.4 148.87 20.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.242 -0.435 . . . . 75.14 110.908 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.9 m -91.63 117.55 29.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.545 -0.752 . . . . 75.25 110.502 -178.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.776 ' HB3' HG23 ' A' ' 112' ' ' ILE . 4.1 mm? -80.34 68.53 6.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.261 0.553 . . . . 75.31 111.262 -178.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 m -126.08 -62.89 1.14 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.814 -0.63 . . . . 72.25 109.823 176.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 18.46 22.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.098 0.475 . . . . 72.21 110.323 175.011 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.533 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -76.79 113.71 14.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.641 -0.709 . . . . 60.43 109.287 174.601 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.1 t -76.83 118.89 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.183 -0.462 . . . . 74.42 111.48 -172.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.581 HG23 ' HD2' ' A' ' 86' ' ' PHE . 59.4 mt -84.63 108.37 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.733 -0.667 . . . . 63.22 110.022 177.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.409 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 23.9 m -116.06 105.73 50.59 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 116.416 -0.357 . . . . 74.23 110.295 177.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 77' ' ' THR . 19.6 Cg_endo -58.49 140.36 94.35 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.235 1.956 . . . . 54.14 111.218 177.299 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.578 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 9.8 t60 -76.91 153.83 34.29 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.637 -0.425 . . . . 74.23 110.155 -174.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -80.69 -45.04 17.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.177 -0.465 . . . . 73.0 111.728 -174.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -85.55 -30.58 23.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.821 0.343 . . . . 73.12 111.243 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.774 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . 12.6 m-20 -95.61 114.55 26.32 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.153 -0.314 . . . . 71.13 110.153 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -79.59 -25.81 41.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.958 0.409 . . . . 64.35 110.396 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 37.1 m -91.11 -13.84 32.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.876 -0.602 . . . . 64.44 110.772 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.774 ' HB3' ' CB ' ' A' ' 82' ' ' ASP . 23.9 ttm180 -98.69 146.52 25.79 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.025 0.917 . . . . 75.0 112.123 -173.429 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.63 ' CE2' HD11 ' A' ' 88' ' ' ILE . 0.4 OUTLIER -131.39 139.97 49.57 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 113.933 -1.485 . . . . 65.24 109.099 176.354 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -102.84 126.75 50.11 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.545 -0.752 . . . . 73.51 109.783 -177.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.829 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 32.2 mm -103.12 109.93 28.26 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 CA-C-N 115.861 -0.609 . . . . 73.11 110.216 179.359 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.9 p -113.23 105.37 13.35 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.622 0.725 . . . . 61.43 110.798 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.533 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 6.3 p -136.65 120.59 23.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.501 -0.772 . . . . 63.43 110.461 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 63.2 22.28 13.28 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 111.6 0.222 . . . . 63.43 111.6 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.7 t70 75.35 6.57 4.09 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 123.305 0.642 . . . . 72.41 111.012 -174.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.0 m -84.95 110.96 19.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.41 -0.959 . . . . 62.21 108.41 169.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.8 t -104.77 126.26 59.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.243 -0.435 . . . . 74.24 111.184 -172.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.829 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 37.1 m95 -120.3 109.67 15.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.076 -0.511 . . . . 65.11 111.191 -178.322 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.418 ' CD1' ' HE3' ' A' ' 32' ' ' LYS . 12.0 m-85 -90.83 84.16 5.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.168 -0.469 . . . . 64.24 110.229 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.744 HD11 HG21 ' A' ' 45' ' ' VAL . 2.7 mm? -103.55 157.32 17.13 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.457 -0.497 . . . . 63.22 109.912 -176.263 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.65 ' HA ' ' HA ' ' A' ' 85' ' ' ARG . 12.9 ttm180 -142.97 144.0 32.17 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.527 -0.469 . . . . 63.43 110.825 -174.207 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.85 174.11 8.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.847 -0.615 . . . . 63.15 110.339 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.076 -0.511 . . . . 64.0 110.4 -178.988 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 . . . . . 0 C--O 1.235 0.302 0 CA-C-O 121.63 0.728 . . . . 65.33 109.585 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -54.92 -19.37 6.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.755 -1.111 . . . . 72.13 112.325 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -54.29 -41.64 69.15 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.024 0.44 . . . . 60.43 109.926 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 17.0 m95 -73.07 -43.58 61.71 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.468 -0.787 . . . . 73.23 109.92 -175.498 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.7 mm -60.73 -56.71 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 114.773 -1.103 . . . . 73.35 109.776 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -57.12 -46.96 82.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.77 -0.65 . . . . 74.01 111.112 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.06 -64.58 0.78 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.269 -0.423 . . . . 71.22 110.716 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.776 HG23 ' HB3' ' A' ' 71' ' ' LEU . 29.2 mt -62.24 -49.02 85.71 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 CA-C-N 116.586 -0.279 . . . . 65.11 110.82 -175.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.602 ' HA ' ' HE2' ' A' ' 116' ' ' LYS . 22.6 mm-40 -55.12 -34.24 63.54 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.298 0.481 . . . . 72.32 112.298 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -89.33 -15.3 33.74 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.858 0.361 . . . . 73.42 111.185 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.624 ' HB3' ' HA ' ' A' ' 50' ' ' ASN . 11.5 m-70 -90.73 -35.57 14.81 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.833 0.679 . . . . 73.11 112.833 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.752 ' HG3' ' O ' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -88.55 159.92 17.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.503 0.668 . . . . 75.51 111.984 -174.604 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.245 0.828 0 CA-C-N 115.001 -1.0 . . . . 63.21 110.149 -173.908 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 CA--C 1.518 -0.283 0 CA-C-O 121.063 0.459 . . . . 74.5 110.491 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.59 118.4 36.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.95 -0.568 . . . . 65.34 110.449 -175.152 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.4 p -138.67 119.63 14.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.059 -0.519 . . . . 54.22 109.75 175.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -173.56 171.24 44.34 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 119.785 -1.198 . . . . 73.11 112.886 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.576 HG13 ' HE3' ' A' ' 44' ' ' TRP . 0.9 OUTLIER -89.61 134.72 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.664 0.745 . . . . 74.45 111.8 -179.452 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.432 HD23 ' HE ' ' A' ' 43' ' ' ARG . 61.1 tp -110.57 107.36 16.94 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.889 -1.05 . . . . 74.52 108.739 174.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.3 m -78.85 100.95 7.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.912 -0.585 . . . . 75.52 109.739 178.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 44.3 tptt . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 116.026 -0.534 . . . . 75.24 109.79 -176.92 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 . . . . . 0 CA--C 1.512 -0.507 0 N-CA-C 109.816 -0.438 . . . . 62.14 109.816 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.43 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 13.8 p-10 -96.75 106.19 18.44 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.684 0.754 . . . . 34.2 109.51 176.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.432 ' HE ' HD23 ' A' ' 30' ' ' LEU . 38.2 ptt180 -102.51 148.92 24.94 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.414 -0.812 . . . . 71.34 109.753 -177.396 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.576 ' HE3' HG13 ' A' ' 29' ' ' VAL . 65.8 t-105 -93.15 110.59 22.09 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 120.09 -0.644 . . . . 73.24 110.369 -172.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.9 m -103.19 141.49 18.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 121.285 0.564 . . . . 51.15 110.421 -176.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.533 ' O ' HD12 ' A' ' 52' ' ' LEU . 10.7 t -138.65 132.54 40.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.049 -0.978 . . . . 72.11 110.978 -173.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.2 tt -123.02 124.75 43.84 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.465 -0.568 . . . . 74.23 109.465 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -168.61 142.66 3.16 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.412 0.445 . . . . 62.41 110.414 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 59.69 27.51 16.78 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.835 0.454 . . . . 74.32 112.052 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.82 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 10.5 t-20 72.01 13.57 5.9 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.753 0.787 . . . . 74.21 110.319 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.67 127.27 56.07 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.506 -0.77 . . . . 62.54 109.392 174.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.69 HD23 HD11 ' A' ' 69' ' ' ILE . 46.4 tp -106.91 132.75 52.51 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.66 -0.867 . . . . 73.45 108.66 176.42 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.4 m -142.64 162.91 34.25 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 116.309 -0.405 . . . . 75.53 110.067 -174.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 95' ' ' TRP . 3.1 p90 -145.41 156.2 43.62 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.447 -0.501 . . . . 74.32 110.058 175.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -126.36 169.62 12.76 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.839 -0.8 . . . . 52.22 108.839 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . 2.9 mmmp? -56.8 -49.06 76.49 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 123.16 0.287 . . . . 52.32 111.734 -178.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.552 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 22.9 t -152.77 -169.04 3.22 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.768 -0.456 . . . . 74.32 109.768 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 35.9 tt0 -59.8 -33.32 71.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.306 0.642 . . . . 63.35 112.416 -172.299 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -81.73 46.86 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.47 0.652 . . . . 64.1 110.519 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -37.76 -35.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 114.48 1.289 . . . . 72.35 114.48 179.37 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.0 t -56.54 -36.36 69.15 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.37 0.507 . . . . 74.21 112.37 -177.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -95.53 -9.5 32.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.336 . . . . 74.15 111.06 -178.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.552 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 30.4 m-85 -94.75 -40.18 9.9 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.189 0.44 . . . . 64.11 112.189 -174.616 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.4 156.59 22.48 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.355 -0.926 . . . . 63.54 111.858 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.1 p -67.03 111.71 3.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.334 0.588 . . . . 75.2 111.383 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.496 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 9.9 mmm180 -71.28 -53.45 14.23 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.158 -0.928 . . . . 73.51 110.845 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -136.41 138.61 9.99 Favored Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 114.579 -1.191 . . . . 71.14 111.417 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 m -133.35 119.53 19.83 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.254 -0.276 . . . . 74.4 110.254 -177.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.69 HD11 HD23 ' A' ' 52' ' ' LEU . 15.9 pt -121.59 143.67 33.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.073 0.464 . . . . 63.11 110.727 177.506 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 65.0 m -96.83 129.58 44.24 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.776 -0.647 . . . . 44.14 110.035 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.086 HD13 HG12 ' A' ' 112' ' ' ILE . 86.0 mt -80.89 24.22 0.51 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.571 -0.741 . . . . 64.13 111.393 -175.474 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.7 m -80.21 -33.39 38.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.044 -0.525 . . . . 41.44 111.062 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.65 12.68 3.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 73.51 110.962 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.676 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -69.76 126.61 30.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.465 . . . . 72.51 110.252 177.312 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.3 t -86.59 111.97 22.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.135 0.493 . . . . 63.43 110.94 -175.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.1 mt -74.02 102.64 2.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.614 -0.721 . . . . 64.43 109.562 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.52 ' HB ' ' HB2' ' A' ' 87' ' ' ASP . 12.5 m -96.01 109.57 47.45 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.192 -0.458 . . . . 74.25 111.025 -177.254 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.85 116.28 4.38 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.407 2.071 . . . . 64.31 111.586 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -78.15 139.39 38.99 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.671 -0.492 . . . . 65.55 109.671 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -89.35 -44.09 10.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.867 0.365 . . . . 74.3 111.069 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -73.73 -12.42 60.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.106 -0.497 . . . . 73.34 110.823 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.657 ' HB2' ' HB3' ' A' ' 85' ' ' ARG . 31.7 m-20 -129.03 107.19 9.4 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.273 -0.64 . . . . 74.03 109.273 177.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.55 -20.76 59.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.912 0.387 . . . . 65.42 111.41 -173.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 19.7 m -98.16 1.27 47.28 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.466 -0.334 . . . . 65.02 110.869 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.657 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 67.4 ttt180 -108.59 148.47 30.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.022 0.915 . . . . 71.33 113.23 -167.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -139.32 126.86 21.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.711 -1.586 . . . . 72.12 109.756 175.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.52 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 18.9 m-20 -95.53 108.15 20.37 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.868 -0.419 . . . . 73.52 109.868 177.658 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.64 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 34.9 mm -83.93 96.65 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.032 -0.359 . . . . 71.2 110.032 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.464 ' HA ' ' HA ' ' A' ' 94' ' ' VAL . 5.9 p -103.37 112.59 25.54 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.315 0.579 . . . . 54.22 111.803 -175.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.676 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 7.7 p -141.93 128.27 19.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.636 -0.711 . . . . 65.01 110.074 177.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.497 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 5.6 m-20 60.31 33.01 20.89 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 111.587 0.217 . . . . 62.44 111.587 176.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.497 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 26.4 t70 76.06 -8.95 1.53 Allowed 'General case' 0 C--N 1.319 -0.751 0 O-C-N 123.896 0.748 . . . . 74.44 111.824 -177.207 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.0 m -85.25 101.93 12.92 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.479 -0.563 . . . . 64.11 109.479 175.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 89' ' ' SER . 4.2 p -99.69 122.74 51.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.469 0.652 . . . . 73.54 110.734 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.64 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 22.2 m95 -106.03 105.53 15.6 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.769 -0.65 . . . . 72.14 110.245 -176.386 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.19 89.73 4.28 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.83 -0.623 . . . . 53.33 110.11 -179.013 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.6 mt -100.55 149.85 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.854 0.359 . . . . 55.33 110.461 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.636 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 14.5 ttm-85 -137.27 147.47 45.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.907 -0.405 . . . . 74.43 109.907 177.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.73 161.72 30.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.136 0.493 . . . . 72.12 111.118 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.474 ' CD ' ' H ' ' A' ' 100' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.566 -0.743 . . . . 74.34 111.512 -176.348 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.776 0.798 . . . . 75.13 109.126 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.486 ' HA ' HG12 ' A' ' 109' ' ' ILE . 14.1 pt20 -60.5 -6.25 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.131 -0.94 . . . . 70.41 111.545 174.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -50.78 -44.33 58.74 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.031 0.443 . . . . 64.12 109.873 170.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.4 ' O ' HG13 ' A' ' 112' ' ' ILE . 14.0 m95 -70.63 -41.78 71.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.693 -0.685 . . . . 75.12 109.408 -177.199 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.486 HG12 ' HA ' ' A' ' 106' ' ' GLN . 25.4 mm -60.02 -54.77 30.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.619 -0.718 . . . . 74.53 110.313 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 114' ' ' GLN . 21.0 t70 -58.36 -49.07 78.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.548 -0.751 . . . . 73.32 111.019 -178.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.49 -54.44 40.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.268 0.556 . . . . 70.44 111.014 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 1.086 HG12 HD13 ' A' ' 71' ' ' LEU . 66.0 mt -66.99 -49.15 76.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.074 -0.512 . . . . 75.25 111.49 -175.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.511 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 46.5 mm-40 -62.31 -34.1 75.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.723 0.297 . . . . 74.33 111.595 -178.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 2.9 mp0 -81.64 -21.45 38.21 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.924 -0.31 . . . . 71.25 111.058 178.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.82 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 25.0 m-70 -98.08 -0.62 44.15 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.771 0.656 . . . . 71.45 112.771 177.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.96 ' HE2' ' HA ' ' A' ' 116' ' ' LYS . 7.5 mmpt? -35.49 126.84 0.63 Allowed 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.528 0.936 . . . . 74.32 113.528 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.247 0.97 0 CA-C-N 114.25 -1.341 . . . . 71.22 109.096 -178.718 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 121.319 0.581 . . . . 63.3 111.095 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.914 ' HB3' ' HB2' ' A' ' 48' ' ' LYS . 1.7 pm0 -79.94 141.36 36.11 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 114.763 -1.108 . . . . 73.54 111.626 175.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.551 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 3.7 tpm_? -92.73 109.21 20.63 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.69 -1.226 . . . . 60.05 107.69 165.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.587 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 4.8 p -117.45 113.28 21.82 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.965 -0.561 . . . . 65.34 109.863 -177.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -161.92 170.66 37.65 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.091 -1.052 . . . . 63.24 112.478 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.827 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 1.3 m -95.57 133.25 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.545 0.688 . . . . 72.2 111.49 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.527 HD23 ' HE ' ' A' ' 43' ' ' ARG . 54.5 tp -112.83 115.3 28.26 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.826 -1.079 . . . . 45.13 109.706 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 16.1 m -74.65 102.71 4.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.903 0.382 . . . . 74.22 110.689 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.462 ' HE3' ' CZ3' ' A' ' 33' ' ' TRP . 40.4 tptt -159.53 163.29 35.32 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.005 -0.739 . . . . 71.11 109.005 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.663 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 9.2 p90 -71.89 145.46 48.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.149 0.5 . . . . 74.53 110.714 -176.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.2 p -102.62 -63.8 1.13 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.634 -0.712 . . . . 70.53 110.444 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -115.96 -56.21 2.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.025 -0.534 . . . . 71.32 110.477 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.653 ' HB2' ' HA3' ' A' ' 39' ' ' GLY . 11.5 m-85 -70.98 137.34 49.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.8 -0.636 . . . . 63.31 109.424 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.1 tt -62.18 -35.34 68.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.949 0.405 . . . . 72.13 110.949 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -101.55 11.98 38.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.055 0.455 . . . . 72.25 110.358 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.653 ' HA3' ' HB2' ' A' ' 36' ' ' TYR . . . -98.03 48.99 1.41 Allowed Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.889 -0.672 . . . . 73.13 111.614 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.663 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 16.8 p-90 -69.28 126.97 31.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.097 0.475 . . . . 74.4 110.54 178.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.401 ' O ' ' HA ' ' A' ' 31' ' ' SER . 20.1 pt20 -138.0 175.9 9.18 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.754 -0.657 . . . . 43.03 109.456 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.827 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 8.9 p-10 -89.05 108.28 19.5 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.518 0.675 . . . . 74.24 110.243 177.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.527 ' HE ' HD23 ' A' ' 30' ' ' LEU . 37.7 ptt180 -100.59 145.03 28.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.642 -0.708 . . . . 70.02 109.652 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.587 ' CZ2' ' HB2' ' A' ' 27' ' ' CYS . 73.5 t-105 -92.25 120.24 32.62 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 120.512 -0.475 . . . . 72.12 110.793 -172.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.574 HG12 ' HB2' ' A' ' 54' ' ' TYR . 20.0 m -115.33 142.58 27.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 120.942 0.401 . . . . 73.41 110.848 -178.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.508 ' O ' HD12 ' A' ' 52' ' ' LEU . 79.3 t -133.62 120.67 38.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.196 -0.911 . . . . 74.0 110.54 -178.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.768 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 3.4 tm? -111.88 102.32 10.58 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.687 -0.486 . . . . 72.34 109.687 178.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.914 ' HB2' ' HB3' ' A' ' 25' ' ' GLU . 14.8 tptm -161.55 162.05 30.07 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.404 -0.221 . . . . 72.23 110.404 -173.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.589 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 14.8 m120 71.9 -68.2 0.23 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.88 0.872 . . . . 72.31 109.192 -174.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 63.7 t30 174.35 22.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.58 -1.267 . . . . 74.43 107.58 168.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.24 152.9 49.17 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 114.862 -1.063 . . . . 75.41 109.925 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.589 ' HB2' HD23 ' A' ' 47' ' ' LEU . 63.0 tp -111.48 127.57 55.74 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.429 -0.805 . . . . 64.13 108.889 174.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.9 m -128.67 142.36 51.05 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 109.552 -0.536 . . . . 75.22 109.552 -175.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.643 ' HB3' ' HZ3' ' A' ' 95' ' ' TRP . 0.3 OUTLIER -132.96 146.65 51.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.581 0.705 . . . . 72.33 111.313 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -122.74 165.58 16.33 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.458 -1.246 . . . . 74.34 108.504 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -53.26 -46.04 69.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.938 0.347 . . . . 72.24 111.938 -176.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.9 p -153.7 -172.51 4.25 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.934 -0.395 . . . . 74.3 109.934 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.79 -14.43 45.06 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.567 0.542 . . . . 74.45 112.375 -172.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.568 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 6.5 t0 -75.04 -8.67 57.2 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 110.309 -0.256 . . . . 74.21 110.309 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.757 ' HG3' ' H ' ' A' ' 61' ' ' THR . 5.0 pt-20 26.12 -73.49 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 116.84 2.163 . . . . 72.1 116.84 172.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.757 ' H ' ' HG3' ' A' ' 60' ' ' GLU . 14.5 t -49.93 -41.21 45.69 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.585 0.958 . . . . 55.44 113.585 -167.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -81.74 -13.52 57.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.059 0.457 . . . . 63.51 111.054 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 59' ' ' ASP . 55.6 m-85 -87.46 -16.88 33.53 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.525 -0.546 . . . . 55.4 109.525 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.53 -84.05 1.6 Allowed Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.475 -0.784 . . . . 44.34 112.473 173.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.0 p -171.75 129.92 0.66 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.572 -0.529 . . . . 63.31 109.572 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.478 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 7.0 mmm180 -104.06 -34.55 8.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.096 0.474 . . . . 73.11 111.051 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -162.12 153.34 23.98 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.153 -0.779 . . . . 51.25 111.153 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 23.7 p -161.15 124.25 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.547 0.213 . . . . 61.12 110.564 -176.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.51 ' HB ' HG11 ' A' ' 90' ' ' VAL . 36.2 pt -121.14 156.32 24.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.37 -0.377 . . . . 72.11 111.152 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 52.3 m -97.72 121.62 39.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.76 -0.655 . . . . 61.33 110.451 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.732 HD13 ' HB3' ' A' ' 74' ' ' ALA . 4.4 mm? -84.16 56.41 3.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.094 0.473 . . . . 53.12 111.261 -176.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.9 m -109.65 -42.56 4.26 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.951 -0.568 . . . . 54.41 110.113 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.64 9.64 8.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.463 . . . . 73.4 110.741 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.732 ' HB3' HD13 ' A' ' 71' ' ' LEU . . . -73.1 109.21 6.46 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.613 -0.514 . . . . 73.45 109.613 175.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.9 t -80.4 126.52 39.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.089 -0.505 . . . . 61.24 111.065 -173.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.718 HD11 HD12 ' A' ' 112' ' ' ILE . 55.4 mt -77.75 96.63 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.058 -0.719 . . . . 64.03 109.058 174.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.7 m -96.77 115.8 65.83 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 116.11 -0.495 . . . . 61.34 111.063 -174.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.422 ' HA ' ' HD1' ' A' ' 86' ' ' PHE . 31.2 Cg_exo -60.26 126.02 19.02 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.473 2.116 . . . . 70.35 111.503 175.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -64.82 161.89 17.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.353 -0.385 . . . . 75.5 110.669 -176.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.44 -75.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.279 0.561 . . . . 74.34 111.488 -174.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -76.94 -16.4 59.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.528 -0.76 . . . . 73.25 111.772 -173.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.628 ' HB3' ' HB3' ' A' ' 85' ' ' ARG . 5.4 t70 -100.17 146.5 26.78 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.796 -0.362 . . . . 72.22 110.469 -175.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -97.06 -22.73 16.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.152 -0.476 . . . . 51.22 110.97 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 65.5 m -119.0 -1.01 11.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.568 -0.287 . . . . 75.11 111.556 -174.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.628 ' HB3' ' HB3' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -91.71 138.95 31.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.984 0.421 . . . . 65.2 110.501 176.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 105' ' ' ARG . 80.4 m-85 -138.02 121.63 17.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.493 -0.776 . . . . 74.24 110.4 -174.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.73 112.78 24.84 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.054 -0.975 . . . . 54.02 109.823 -175.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.682 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 23.4 mm -83.83 108.27 16.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.588 -0.523 . . . . 74.01 109.588 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.9 p -112.0 120.89 43.42 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 112.766 0.654 . . . . 74.13 112.766 -173.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.574 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 14.7 p -153.19 134.45 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.309 -0.86 . . . . 72.55 109.007 173.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.0 m120 61.45 23.04 13.36 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.967 0.413 . . . . 63.33 111.009 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.8 t70 70.09 4.41 4.82 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.075 -0.966 . . . . 71.35 111.32 -173.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.8 m -78.59 100.12 6.83 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.92 -0.77 . . . . 55.02 108.92 172.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.5 t -93.9 115.2 32.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.864 -0.607 . . . . 74.13 110.706 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.682 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 23.8 m95 -101.42 100.26 10.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.749 -0.66 . . . . 74.01 109.813 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.405 ' O ' HD21 ' A' ' 30' ' ' LEU . 67.8 m-85 -71.84 86.36 0.97 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.222 -0.445 . . . . 64.34 110.492 -179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.623 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 3.8 mm? -94.67 169.22 10.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.285 -0.635 . . . . 73.33 109.285 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.611 ' HG3' ' CA ' ' A' ' 85' ' ' ARG . 44.2 ttt-85 -156.98 149.81 23.63 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.706 -0.479 . . . . 63.3 109.706 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.447 ' HB1' ' HB2' ' A' ' 103' ' ' ASP . . . -60.42 124.1 19.32 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.832 -0.803 . . . . 51.42 108.832 171.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.471 HE22 ' HH2' ' A' ' 108' ' ' TRP . 27.7 mp0 -49.05 -51.73 29.55 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.791 0.682 . . . . 73.21 111.597 -173.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.626 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 36.3 t70 -177.59 -54.76 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.411 0 CA-C-N 116.281 -0.418 . . . . 53.24 110.859 172.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.626 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 95.3 Cg_endo -83.99 1.75 8.62 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.044 1.83 . . . . 54.34 111.746 176.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.732 ' HB3' ' HG3' ' A' ' 107' ' ' GLN . 5.6 m-20 -92.19 174.83 7.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.237 -0.892 . . . . 61.31 111.153 -175.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -142.65 -170.38 3.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.31 -0.859 . . . . 72.4 109.215 174.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 58.0 ttp180 -65.37 -29.75 70.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.138 0.494 . . . . 74.53 110.469 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -63.84 -16.69 61.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.416 -0.811 . . . . 63.34 111.93 -173.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.732 ' HG3' ' HB3' ' A' ' 103' ' ' ASP . 9.0 mm100 -60.96 -46.27 91.37 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 108.792 -0.818 . . . . 73.54 108.792 174.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.551 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 16.8 m95 -76.0 -41.77 50.12 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 114.967 -1.015 . . . . 73.25 109.299 -175.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 105' ' ' ARG . 34.1 mm -59.14 -58.5 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 115.116 -0.947 . . . . 73.24 109.957 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.24 -45.4 91.26 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.191 -0.459 . . . . 74.01 111.027 -178.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.0 -62.26 1.87 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.82 0.343 . . . . 71.21 110.967 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.718 HD12 HD11 ' A' ' 76' ' ' ILE . 46.8 mt -61.8 -43.25 97.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 CA-C-N 116.611 -0.268 . . . . 53.13 110.751 -176.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.74 -37.24 75.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.726 0.298 . . . . 75.32 111.802 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -85.94 -11.61 52.65 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.831 0.348 . . . . 65.13 111.214 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.489 ' HB3' ' O ' ' A' ' 49' ' ' ASN . 42.4 m-70 -95.5 -35.66 11.6 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.512 0.56 . . . . 71.31 112.512 176.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 168.83 18.75 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.267 0.556 . . . . 73.32 112.334 -168.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.232 -0.895 . . . . 74.14 109.684 176.078 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 109.987 -0.375 . . . . 73.31 109.987 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.656 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 2.8 pm0 -55.82 132.77 50.29 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.734 0.778 . . . . 71.13 111.691 -179.171 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.674 ' HG2' ' CH2' ' A' ' 108' ' ' TRP . 5.9 tpm_? -121.69 116.51 24.68 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.582 -1.19 . . . . 70.23 109.621 175.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.484 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 5.1 p -117.82 114.76 23.75 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 108.89 -0.781 . . . . 74.32 108.89 175.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.72 166.16 38.86 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.217 -0.992 . . . . 62.41 112.306 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.492 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 2.5 m -90.72 131.43 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.756 0.789 . . . . 73.5 111.974 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.774 HD13 HD12 ' A' ' 97' ' ' LEU . 48.8 tp -97.81 116.59 30.34 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.619 -1.173 . . . . 75.42 109.536 176.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.507 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 9.2 p -83.46 107.02 15.67 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.919 -0.582 . . . . 65.42 109.874 176.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -133.09 140.8 47.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.162 -0.472 . . . . 73.42 110.564 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 11.5 m-90 -56.42 123.64 15.4 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.072 -0.513 . . . . 73.42 110.171 176.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.14 -79.95 0.18 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.32 -0.4 . . . . 75.52 110.67 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -129.89 -33.93 1.75 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.949 0.404 . . . . 73.33 110.525 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.476 ' HB3' ' HA3' ' A' ' 39' ' ' GLY . 35.1 t80 -81.96 151.85 27.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.894 -0.594 . . . . 75.31 110.089 -178.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.5 tp -50.15 -51.08 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 112.574 0.583 . . . . 72.11 112.574 -174.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -113.26 30.33 7.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.703 0.763 . . . . 71.13 109.239 175.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.476 ' HA3' ' HB3' ' A' ' 36' ' ' TYR . . . -82.92 67.56 3.72 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.281 -0.872 . . . . 75.03 111.898 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.496 ' HE3' ' HB2' ' A' ' 31' ' ' SER . 46.5 m95 -67.14 118.7 10.93 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.184 -0.302 . . . . 73.21 110.184 177.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.507 ' O ' ' HA ' ' A' ' 31' ' ' SER . 2.0 pt20 -101.07 166.24 10.9 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.008 -0.738 . . . . 60.33 109.008 169.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.492 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 8.0 p-10 -120.78 116.02 24.42 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.666 0.746 . . . . 72.2 109.878 177.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.58 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 4.3 ptp180 -109.51 139.61 44.3 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.897 -1.047 . . . . 63.43 109.658 -178.176 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.484 ' CZ2' ' HB2' ' A' ' 27' ' ' CYS . 71.7 t-105 -85.25 115.73 23.19 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.478 -0.489 . . . . 73.31 109.982 -174.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.618 HG22 ' HB2' ' A' ' 54' ' ' TYR . 96.6 t -114.64 131.5 66.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 120.959 0.409 . . . . 63.13 111.117 -173.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.554 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 49.2 t -122.45 125.86 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.271 -0.877 . . . . 74.15 110.715 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.683 HD23 HD13 ' A' ' 52' ' ' LEU . 3.2 tm? -125.42 110.81 14.38 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.374 -0.376 . . . . 71.03 110.32 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.656 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 14.5 tptm 177.26 163.06 0.51 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.919 -0.771 . . . . 72.03 108.919 -176.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.525 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 81.3 m-20 69.65 14.21 8.19 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.699 0.4 . . . . 71.12 110.161 -176.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.821 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 64.2 t30 70.79 5.58 5.5 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.484 -0.78 . . . . 72.11 109.668 -173.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.09 150.55 27.65 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.26 -0.882 . . . . 32.51 110.154 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.683 HD13 HD23 ' A' ' 47' ' ' LEU . 43.5 tp -122.7 127.86 49.81 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.598 -0.728 . . . . 64.33 109.308 176.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.585 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 10.1 p -141.96 124.79 16.06 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.596 -0.729 . . . . 73.42 110.39 -173.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.618 ' HB2' HG22 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -125.65 152.34 45.33 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.287 0.565 . . . . 60.01 110.645 178.482 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -128.2 160.26 32.64 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.275 -1.009 . . . . 74.33 108.275 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.559 ' HG2' ' HG3' ' A' ' 66' ' ' ARG . 13.2 mmmm -54.63 -42.69 71.53 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.347 0.499 . . . . 70.13 112.347 -176.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.521 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 15.9 m -144.96 177.47 8.73 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.296 -0.261 . . . . 72.34 110.296 -177.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.86 -24.54 66.98 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.417 0.448 . . . . 61.41 111.794 -176.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.625 ' OD1' ' HG2' ' A' ' 62' ' ' GLU . 5.2 t70 -51.34 -40.15 58.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.414 -0.357 . . . . 73.41 110.814 177.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 49.76 -46.94 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.351 1.861 . . . . 71.15 115.905 -176.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.8 t -58.86 -50.52 73.7 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.386 0.884 . . . . 72.12 113.386 -170.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.625 ' HG2' ' OD1' ' A' ' 59' ' ' ASP . 15.4 pt-20 -86.23 -15.91 39.36 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.424 -0.51 . . . . 71.34 111.03 -176.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.521 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 49.1 m-85 -82.07 -35.84 28.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.24 -0.437 . . . . 73.14 110.803 -179.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.08 170.89 39.71 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.506 -0.854 . . . . 74.45 112.239 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.1 p -72.59 104.55 3.91 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.516 0.674 . . . . 71.51 111.032 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.559 ' HG3' ' HG2' ' A' ' 56' ' ' LYS . 10.4 mmt180 -85.4 -21.88 28.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.27 -0.877 . . . . 61.32 110.184 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.585 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -149.29 112.91 0.58 Allowed Glycine 0 N--CA 1.439 -1.11 0 N-CA-C 110.597 -1.001 . . . . 72.45 110.597 175.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.8 p -129.22 110.62 12.13 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.185 0.517 . . . . 71.52 110.342 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.645 HD11 HD23 ' A' ' 52' ' ' LEU . 45.8 pt -129.15 176.61 7.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.713 -0.676 . . . . 63.43 110.62 -178.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.482 ' SG ' ' HD3' ' A' ' 73' ' ' LYS . 12.0 p -122.82 138.99 54.49 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.045 -0.525 . . . . 71.31 110.879 -178.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.708 ' HB3' HG23 ' A' ' 112' ' ' ILE . 4.0 mm? -90.79 14.76 12.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.859 -0.609 . . . . 73.44 110.098 177.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.9 t -66.13 -49.11 68.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.249 -0.887 . . . . 62.2 110.96 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.543 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -125.49 19.72 8.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.677 -0.692 . . . . 73.11 109.892 -176.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.63 150.39 43.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.305 -0.861 . . . . 42.31 111.608 -176.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.455 ' HB ' ' OG ' ' A' ' 89' ' ' SER . 47.4 t -104.83 109.6 28.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.948 -0.569 . . . . 74.4 110.105 176.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.5 HD11 HD13 ' A' ' 112' ' ' ILE . 60.0 mt -83.33 120.68 35.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.971 -0.559 . . . . 72.33 110.494 179.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.934 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 24.1 m -110.37 101.87 49.68 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 116.087 -0.506 . . . . 75.33 111.074 178.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 77' ' ' THR . 30.0 Cg_endo -64.6 130.6 26.94 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.017 1.812 . . . . 70.33 111.151 175.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -68.97 150.68 47.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.188 0.518 . . . . 73.22 110.373 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.34 -58.15 3.4 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.416 -0.811 . . . . 74.23 111.49 -175.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -77.42 -9.13 58.69 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.492 0.553 . . . . 73.02 112.492 -176.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -128.74 142.04 51.13 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.432 -0.507 . . . . 73.42 111.142 -175.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -103.86 7.67 36.93 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.701 -0.682 . . . . 74.34 110.709 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 104' ' ' HIS . 73.8 m -120.83 -26.49 5.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.454 -0.339 . . . . 51.45 111.313 177.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.546 ' CA ' ' HG3' ' A' ' 98' ' ' ARG . 63.6 ttt-85 -80.16 147.58 31.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.06 0.457 . . . . 71.01 111.525 -178.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -149.92 139.91 21.98 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.591 -0.731 . . . . 74.44 110.426 177.789 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.934 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 7.3 t70 -99.18 135.25 40.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.908 -1.042 . . . . 73.43 109.405 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.836 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 3.8 mp -114.85 96.64 4.79 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-N 116.209 -0.451 . . . . 71.21 109.882 -176.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.455 ' OG ' ' HB ' ' A' ' 75' ' ' VAL . 63.3 p -101.76 102.95 13.66 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 120.381 -0.527 . . . . 74.2 110.703 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.9 m -101.33 -172.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.889 -0.596 . . . . 72.53 109.782 176.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -36.5 -61.43 0.52 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 124.248 0.968 . . . . 74.53 112.814 -175.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -129.18 10.61 5.84 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.065 0.395 . . . . 74.22 112.065 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 t -136.54 129.42 30.9 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.567 -0.453 . . . . 75.33 111.222 -173.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.9 t -109.4 127.74 65.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.118 -0.492 . . . . 61.53 110.134 174.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.836 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 12.9 m95 -112.94 147.53 36.9 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.89 -0.595 . . . . 75.45 110.148 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -124.63 92.72 3.71 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.122 -0.695 . . . . 71.23 109.122 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.774 HD12 HD13 ' A' ' 30' ' ' LEU . 36.4 tp -119.57 171.43 8.37 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.811 -0.355 . . . . 61.14 110.259 -173.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.546 ' HG3' ' CA ' ' A' ' 85' ' ' ARG . 20.6 ttt180 -153.75 151.48 29.65 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.46 -0.571 . . . . 71.44 109.46 -177.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.7 144.68 47.6 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.998 -0.371 . . . . 72.05 109.998 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.9 0.14 5.98 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.729 -0.668 . . . . 70.34 110.304 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -85.52 165.95 32.9 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.403 -0.817 . . . . 75.0 109.558 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -69.17 54.3 0.94 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.953 2.435 . . . . 72.45 111.694 173.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.435 ' OD2' ' HG2' ' A' ' 106' ' ' GLN . 27.7 t70 -149.14 168.64 22.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.599 -0.728 . . . . 54.24 109.175 -175.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.435 ' O ' ' HA ' ' A' ' 84' ' ' CYS . 87.4 m-70 -70.83 -73.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.78 -0.452 . . . . 71.31 109.78 174.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.527 ' HB2' ' CD1' ' A' ' 108' ' ' TRP . 0.0 OUTLIER -170.3 20.27 0.02 OUTLIER 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.723 0.297 . . . . 72.52 111.463 177.361 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.435 ' HG2' ' OD2' ' A' ' 103' ' ' ASP . 9.2 pt20 -66.66 -10.98 51.76 Favored 'General case' 0 N--CA 1.46 0.071 0 CA-C-N 116.595 -0.275 . . . . 75.41 110.511 -176.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -51.51 -50.11 60.6 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.283 -0.636 . . . . 72.23 109.283 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.674 ' CH2' ' HG2' ' A' ' 26' ' ' ARG . 7.9 m95 -73.16 -44.53 59.85 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.17 -0.923 . . . . 74.55 109.256 -176.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 39.0 mm -54.45 -59.83 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.191 -0.913 . . . . 72.3 110.054 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -54.9 -53.55 54.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.526 . . . . 74.34 111.079 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.75 -60.72 2.98 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.308 0.575 . . . . 64.41 111.137 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.708 HG23 ' HB3' ' A' ' 71' ' ' LEU . 31.7 mt -63.49 -53.16 48.75 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-N 116.239 -0.437 . . . . 63.43 111.118 -174.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -52.76 -44.01 66.19 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.749 0.277 . . . . 75.21 111.749 -177.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -74.85 -30.06 61.24 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.805 0.298 . . . . 71.42 111.805 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.821 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 38.7 m80 -96.82 -20.54 18.11 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 114.139 1.163 . . . . 70.11 114.139 -173.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.496 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 1.2 pptt? -82.23 170.8 15.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 118.328 0.513 . . . . 73.13 111.822 -175.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.253 1.265 0 CA-C-N 115.534 -0.757 . . . . 73.01 109.77 176.557 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.0 m . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 121.094 0.473 . . . . 75.45 111.034 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.726 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 1.6 pm0 -64.18 132.19 49.65 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 114.751 -1.113 . . . . 51.2 111.656 175.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.684 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 2.2 tpm_? -106.93 111.07 23.4 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 114.831 -1.077 . . . . 72.34 108.232 170.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.601 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 3.1 p -123.33 107.59 11.81 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 123.498 0.499 . . . . 74.12 110.275 -177.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.18 171.18 35.66 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.456 -0.878 . . . . 12.42 112.479 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.516 HG13 ' HE3' ' A' ' 44' ' ' TRP . 0.8 OUTLIER -88.91 133.2 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.671 0.748 . . . . 71.23 111.514 -179.851 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.632 HD22 HD23 ' A' ' 97' ' ' LEU . 53.1 tp -115.84 122.25 44.84 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.673 -1.149 . . . . 62.01 109.772 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 p -76.87 99.71 5.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.985 -0.552 . . . . 55.13 109.998 176.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.565 ' HD3' ' O ' ' A' ' 33' ' ' TRP . 7.6 tmtm? -141.1 149.69 41.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.29 -0.414 . . . . 74.12 110.875 -177.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.565 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 1.5 t90 -50.05 136.75 18.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.881 -1.054 . . . . 75.32 111.795 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.614 ' HB ' ' HG2' ' A' ' 41' ' ' GLN . 4.9 t -137.22 -6.42 1.81 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.186 0.517 . . . . 73.35 110.398 177.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.485 ' HB3' ' HB2' ' A' ' 38' ' ' HIS . 24.6 t-20 -169.94 155.37 5.62 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.485 -0.931 . . . . 74.31 108.485 -175.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -82.71 -54.22 5.31 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.922 0.391 . . . . 63.43 110.627 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 53.3 mt -65.7 -28.09 43.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.684 . . . . 63.0 110.502 -177.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.485 ' HB2' ' HB3' ' A' ' 35' ' ' ASN . 0.3 OUTLIER -94.1 -42.67 8.87 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.691 -0.686 . . . . 73.25 111.281 -179.795 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.66 -110.24 3.79 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.55 -0.833 . . . . 44.41 112.473 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 35.4 p90 -105.98 169.9 8.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.046 0.451 . . . . 71.35 111.476 -173.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.614 ' HG2' ' HB ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -148.73 162.96 38.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.342 -0.845 . . . . 63.44 108.939 168.468 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -94.86 98.58 10.83 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.446 -0.575 . . . . 73.24 109.446 177.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.506 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 10.4 ptp180 -97.43 150.28 21.21 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.857 -0.61 . . . . 64.44 110.01 -176.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.516 ' HE3' HG13 ' A' ' 29' ' ' VAL . 68.2 t-105 -97.18 110.94 23.39 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.304 -0.559 . . . . 63.1 110.291 -174.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.601 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 18.4 m -109.02 145.21 16.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 C-N-CA 120.8 -0.36 . . . . 44.22 110.804 -174.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.684 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 57.0 t -133.27 122.81 45.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.464 -0.789 . . . . 70.33 111.071 -177.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.726 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 5.3 tt -113.01 105.45 13.5 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.904 -0.406 . . . . 73.33 109.904 177.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.583 ' HB2' ' HB3' ' A' ' 25' ' ' GLU . 15.3 tptt -164.54 151.5 11.28 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.515 -0.55 . . . . 72.53 109.515 -178.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.492 ' OD1' ' HG3' ' A' ' 48' ' ' LYS . 16.4 m120 64.34 19.63 11.86 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 122.81 0.444 . . . . 41.52 110.447 -173.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.66 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 16.3 t-20 64.81 18.0 11.25 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.364 -0.835 . . . . 73.25 109.848 -175.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.92 126.1 53.45 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.159 -0.928 . . . . 74.45 109.344 175.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.654 ' HB2' HD21 ' A' ' 71' ' ' LEU . 53.7 tp -101.66 125.78 48.38 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.95 -0.759 . . . . 74.24 108.95 176.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.9 m -131.19 167.44 19.16 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.503 -0.771 . . . . 73.3 109.099 -175.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.43 ' HA ' ' O ' ' A' ' 44' ' ' TRP . 2.4 p90 -148.82 154.41 39.48 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.048 -0.661 . . . . 71.34 111.2 177.094 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.468 ' CD1' ' HD1' ' A' ' 44' ' ' TRP . 9.5 m-85 -124.66 163.62 21.63 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.832 -1.077 . . . . 75.33 108.319 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.457 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 25.7 mmmt -60.65 -28.77 68.83 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.111 0.412 . . . . 33.13 112.111 -178.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.446 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 22.0 t -168.93 -170.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.452 -0.573 . . . . 71.23 109.452 178.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -67.57 -20.07 65.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.064 -0.516 . . . . 73.54 111.013 -174.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 7.6 t0 -81.73 49.71 1.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.803 0.811 . . . . 74.51 109.488 176.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -49.18 -23.83 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.834 -1.076 . . . . 71.33 112.061 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -41.54 70.64 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.419 0.525 . . . . 62.23 112.419 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -106.58 -24.81 12.06 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.576 -0.45 . . . . 61.52 111.627 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 32.0 m-85 -75.09 -38.74 61.14 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.84 -0.344 . . . . 75.31 111.636 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.47 162.94 7.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.852 -0.69 . . . . 63.43 112.526 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.8 t -62.82 124.23 20.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.183 0.516 . . . . 75.02 110.323 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.474 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 4.3 mmm180 -98.82 -20.52 16.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.768 -0.651 . . . . 62.15 111.404 -175.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -175.4 152.46 13.43 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.901 -0.88 . . . . 63.33 110.901 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 17.1 p -151.53 153.22 34.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.925 0.363 . . . . 74.21 111.389 -176.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 22.3 pt -142.05 161.21 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.768 -0.651 . . . . 73.23 110.38 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 55.6 m -98.31 139.43 34.09 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.862 -0.421 . . . . 74.32 109.862 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.654 HD21 ' HB2' ' A' ' 52' ' ' LEU . 4.2 mm? -87.87 -0.32 56.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.724 0.638 . . . . 64.44 112.724 -172.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -68.54 -59.05 3.42 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.972 -0.291 . . . . 44.12 110.762 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -93.4 19.85 7.84 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.99 0.367 . . . . 72.12 111.99 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.64 123.13 32.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.729 0.299 . . . . 73.21 110.284 177.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.9 t -83.06 117.42 28.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.431 -0.35 . . . . 71.33 110.89 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.439 HD11 HD13 ' A' ' 112' ' ' ILE . 61.6 mt -83.75 110.26 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 65.31 110.151 177.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.8 m -118.4 118.82 33.6 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 116.299 -0.41 . . . . 73.1 110.373 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -57.31 128.8 31.03 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.069 1.846 . . . . 63.41 111.414 176.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -70.87 145.94 49.93 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.272 -0.64 . . . . 54.21 109.272 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -75.36 -57.27 3.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.08 0.467 . . . . 74.24 110.985 -174.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -68.31 -22.2 64.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.526 -0.761 . . . . 63.2 111.525 -176.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.872 ' HB2' ' HB3' ' A' ' 85' ' ' ARG . 32.1 m-20 -128.55 117.35 21.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.465 -0.334 . . . . 53.53 110.57 -176.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -75.41 -24.66 57.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.074 0.464 . . . . 71.52 111.134 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 80.8 m -96.67 3.22 52.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.346 -0.388 . . . . 54.12 111.005 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.872 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 2.1 ttp180 -104.37 137.28 42.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.327 -0.397 . . . . 73.32 110.298 178.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.518 ' CE1' ' HG3' ' A' ' 105' ' ' ARG . 23.3 m-85 -122.85 128.09 49.91 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.513 0.673 . . . . 74.55 111.429 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -90.4 115.56 27.67 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.556 -1.202 . . . . 54.1 109.664 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.765 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 39.9 mm -100.22 95.61 4.24 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 115.367 -0.833 . . . . 74.12 109.687 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 80.6 p -103.29 107.96 18.99 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 120.109 -0.636 . . . . 72.25 111.139 -177.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.743 HG22 ' H ' ' A' ' 91' ' ' ASN . 6.3 p -116.04 -173.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 107.741 -1.207 . . . . 71.32 107.741 172.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.743 ' H ' HG22 ' A' ' 90' ' ' VAL . 7.3 m-20 -50.25 105.06 0.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 122.51 0.324 . . . . 70.31 111.249 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.5 t70 72.2 -20.08 0.26 Allowed 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.11 0.781 . . . . 62.34 113.11 173.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.591 ' HB3' ' HE1' ' A' ' 95' ' ' TRP . 33.6 m -107.99 114.05 27.69 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.741 -0.6 . . . . 62.15 111.134 -175.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.9 t -110.22 117.98 55.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.039 -0.528 . . . . 74.22 109.679 176.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.765 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 28.8 m95 -111.09 109.01 18.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.819 0.342 . . . . 64.0 110.898 -174.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.532 ' HB3' ' HD2' ' A' ' 85' ' ' ARG . 80.0 m-85 -85.3 78.8 9.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.248 -0.433 . . . . 63.51 110.575 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.632 HD23 HD22 ' A' ' 30' ' ' LEU . 88.4 mt -81.69 161.04 23.54 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.877 -0.416 . . . . 61.24 109.877 -177.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.513 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 5.2 ttm-85 -137.72 151.55 48.32 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.406 -0.59 . . . . 74.43 109.406 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.57 -174.53 0.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.487 0.492 . . . . 72.14 110.808 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.427 ' O ' ' HB2' ' A' ' 101' ' ' ASP . 13.4 mm100 -53.66 -56.65 15.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 72.3 110.156 -178.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.793 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 27.7 t70 176.02 -57.05 0.0 OUTLIER Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 115.182 -0.917 . . . . 61.03 110.137 172.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.793 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 4.6 Cg_exo -78.9 -47.97 0.09 OUTLIER 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.292 1.994 . . . . 73.13 112.171 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 104' ' ' HIS . 5.4 p-10 -157.28 -149.39 0.24 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.972 -0.558 . . . . 64.3 110.076 -177.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' A' ' 103' ' ' ASP . 9.4 m80 71.58 62.2 0.15 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.938 0.875 . . . . 65.22 110.763 -176.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.518 ' HG3' ' CE1' ' A' ' 86' ' ' PHE . 31.6 ttm180 -81.29 -34.86 31.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.344 -1.298 . . . . 70.22 109.454 175.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -61.0 -9.58 4.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.346 -1.297 . . . . 72.42 112.052 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.409 ' OE1' ' HD2' ' A' ' 104' ' ' HIS . 12.2 mm100 -54.42 -45.28 72.94 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.947 -0.39 . . . . 70.2 109.947 174.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.499 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 13.1 m95 -74.85 -40.21 61.13 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 115.741 -0.663 . . . . 75.2 109.695 -175.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.3 mm -60.71 -56.8 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 115.306 -0.861 . . . . 54.45 109.495 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -56.49 -49.11 75.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.76 -0.654 . . . . 73.14 110.913 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.549 ' HB1' HD22 ' A' ' 47' ' ' LEU . . . -55.9 -58.8 6.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 52.44 111.298 -179.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.527 HG23 ' HB3' ' A' ' 71' ' ' LEU . 43.6 mt -67.44 -51.15 55.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.604 -0.271 . . . . 73.32 111.24 -174.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 65.2 mm-40 -51.96 -45.41 64.38 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 111.722 0.267 . . . . 63.54 111.722 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -77.84 -28.51 50.15 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.973 0.36 . . . . 71.54 111.973 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.66 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 7.2 m-70 -86.64 -24.0 25.47 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.603 0.594 . . . . 73.32 112.603 -177.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 113' ' ' GLU . 0.9 OUTLIER -71.2 171.0 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.159 0.504 . . . . 72.41 111.815 -173.003 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 32.8 p . . . . . 0 C--O 1.249 1.034 0 CA-C-N 115.646 -0.706 . . . . 65.04 110.502 -178.727 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 109.809 -0.441 . . . . 74.44 109.809 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.633 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 6.3 pm0 -49.07 132.98 18.97 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 121.891 0.853 . . . . 71.3 111.564 175.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.551 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -123.32 110.5 15.26 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 114.938 -1.028 . . . . 64.14 109.028 175.197 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.511 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 6.2 p -120.79 108.08 13.51 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.086 -0.506 . . . . 25.04 110.03 -177.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.82 169.84 38.91 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.783 -0.722 . . . . 54.41 111.807 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.847 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 2.4 m -90.57 132.26 35.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.674 0.749 . . . . 72.23 111.941 -178.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.3 tp -107.43 120.4 42.07 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.655 -1.157 . . . . 63.24 109.204 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -78.9 100.15 7.09 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.873 -0.603 . . . . 62.32 110.944 -177.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.472 ' HE3' ' CZ3' ' A' ' 33' ' ' TRP . 31.5 tptt -159.99 170.28 21.65 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.059 -0.256 . . . . 72.13 110.318 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.581 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 15.3 p90 -74.67 148.08 40.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.911 0.386 . . . . 73.22 110.926 -179.025 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 p -115.67 -6.58 12.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.239 -0.437 . . . . 71.22 111.792 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -152.46 -80.14 0.1 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.6 -0.273 . . . . 74.43 111.16 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.441 ' O ' ' HB2' ' A' ' 33' ' ' TRP . 24.0 m-85 -77.08 155.53 32.38 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 122.293 -0.255 . . . . 74.25 110.531 175.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.2 pt -61.67 -22.77 29.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 112.038 0.384 . . . . 73.14 112.038 -176.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -117.01 24.56 11.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.872 0.367 . . . . 73.13 111.113 176.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -101.05 66.6 0.49 Allowed Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.634 -0.986 . . . . 74.41 110.634 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.581 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 3.9 m0 -85.03 141.07 30.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.17 0.51 . . . . 75.33 111.317 -172.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -152.64 164.99 36.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.455 -0.793 . . . . 74.01 109.307 172.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.847 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 6.1 m-20 -91.32 102.98 15.68 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.309 -0.626 . . . . 64.54 109.309 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.448 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 38.1 ptt180 -95.32 146.83 24.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.689 -0.687 . . . . 71.14 110.247 -176.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.559 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 70.1 t-105 -89.89 112.92 24.43 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.724 -0.39 . . . . 75.24 110.809 -171.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 17.2 m -110.36 143.12 20.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.997 0.427 . . . . 73.43 111.029 -176.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.551 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 73.8 t -132.87 114.09 21.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.192 -0.913 . . . . 63.23 110.406 -178.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.581 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 4.2 tt -112.97 111.63 22.51 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.023 -0.362 . . . . 75.31 110.023 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.633 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 5.6 tptt -172.97 154.99 2.97 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.358 -0.608 . . . . 74.22 109.358 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 58.9 24.76 12.86 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.845 0.458 . . . . 70.24 111.584 -175.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.755 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 4.5 t-20 71.66 10.22 6.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.292 -0.867 . . . . 72.11 110.798 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.19 139.09 50.23 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.565 -0.743 . . . . 51.15 109.859 176.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.575 HD23 HD11 ' A' ' 69' ' ' ILE . 60.8 tp -119.01 129.45 55.14 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.228 -0.656 . . . . 74.24 109.228 175.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.8 m -140.15 148.62 41.91 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 116.254 -0.43 . . . . 72.32 109.926 -176.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.559 ' HA ' ' O ' ' A' ' 44' ' ' TRP . 2.1 p90 -130.98 154.15 48.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.5 0.667 . . . . 74.33 110.96 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.523 ' HD2' ' HD1' ' A' ' 44' ' ' TRP . 21.7 m-85 -127.35 171.21 11.71 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.853 -1.067 . . . . 73.2 108.526 -177.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -58.74 -73.61 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.786 0.662 . . . . 73.23 112.786 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 44' ' ' TRP . 6.1 p -105.82 -85.58 0.49 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.721 0.296 . . . . 52.11 111.561 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -153.95 -28.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.066 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.529 ' HB3' ' HE2' ' A' ' 63' ' ' TYR . 4.6 t70 -38.14 -48.08 1.21 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.048 -0.978 . . . . 63.34 112.157 175.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 39.02 22.15 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.961 1.467 . . . . 64.24 114.961 -177.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 t -108.63 -31.91 7.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 119.125 0.875 . . . . 73.15 111.118 -176.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -109.3 -9.65 14.97 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.557 -0.457 . . . . 64.15 111.344 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.529 ' HE2' ' HB3' ' A' ' 59' ' ' ASP . 47.4 m-85 -85.52 -11.34 54.4 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.469 -0.332 . . . . 72.32 111.234 -177.002 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.44 ' O ' ' HE1' ' A' ' 55' ' ' TYR . . . 70.47 -82.18 0.38 Allowed Glycine 0 C--O 1.227 -0.289 0 CA-C-N 116.131 -0.486 . . . . 44.12 112.446 178.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.4 p -175.34 113.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.176 0.591 . . . . 55.02 109.481 177.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.469 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 3.0 mmm180 -81.44 -27.1 34.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.226 0.536 . . . . 73.44 110.735 -175.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.414 ' HA3' ' CD1' ' A' ' 54' ' ' TYR . . . -143.77 154.96 25.92 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 110.598 -1.001 . . . . 70.11 110.598 176.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.9 p -164.63 110.39 0.98 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.078 0.466 . . . . 75.52 110.793 -176.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.575 HD11 HD23 ' A' ' 52' ' ' LEU . 43.3 pt -124.56 160.04 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.037 -0.528 . . . . 73.41 110.424 178.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 80.2 m -115.0 131.97 56.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.935 -0.575 . . . . 74.31 110.264 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.669 ' HG ' HG12 ' A' ' 112' ' ' ILE . 4.3 mm? -75.3 8.53 2.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 73.35 111.712 -176.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.5 m -66.49 -38.16 86.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 71.11 110.91 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.47 ' HE2' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -132.15 16.64 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.22 0.533 . . . . 61.1 110.847 178.743 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.755 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -84.22 107.95 16.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.896 -0.593 . . . . 43.03 109.824 177.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 50.2 t -71.45 125.34 29.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.888 -0.596 . . . . 74.42 110.707 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.49 HD11 HD13 ' A' ' 112' ' ' ILE . 44.3 mt -86.18 100.76 9.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.774 -0.648 . . . . 73.55 109.887 176.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.5 m -92.53 113.16 58.62 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 110.156 -0.313 . . . . 74.53 110.156 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.491 ' HA ' ' CD1' ' A' ' 86' ' ' PHE . 21.3 Cg_exo -64.82 130.99 27.64 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.435 2.09 . . . . 71.22 111.44 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -70.98 151.08 45.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.418 -0.586 . . . . 75.14 109.418 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -77.81 -63.36 1.4 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.842 0.353 . . . . 55.11 111.567 -174.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -72.13 -35.77 69.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.077 -0.51 . . . . 73.35 111.489 -178.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.49 131.67 35.41 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.984 -0.553 . . . . 74.33 111.622 -173.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -84.19 -37.0 22.41 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.319 -0.855 . . . . 75.34 110.016 176.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 56.9 m -96.37 18.41 13.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.4 -0.818 . . . . 74.34 111.732 -174.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.73 ' HB2' ' HG3' ' A' ' 98' ' ' ARG . 32.1 ttt180 -121.41 146.56 46.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.505 0.669 . . . . 64.3 111.921 -178.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.603 ' CE2' ' HB2' ' A' ' 105' ' ' ARG . 8.9 m-85 -141.57 125.78 17.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.59 -1.186 . . . . 75.54 110.131 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.424 ' OD2' ' HD1' ' A' ' 96' ' ' TYR . 8.4 m-20 -96.28 103.82 15.75 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.928 -0.578 . . . . 75.21 109.615 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.553 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 26.0 mm -78.17 141.99 14.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.904 -0.589 . . . . 72.35 109.539 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.8 p -143.55 112.53 6.66 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.969 -0.692 . . . . 72.21 112.055 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.755 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 7.3 p -145.88 130.75 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 72.11 110.224 177.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 92' ' ' ASP . 16.9 m120 58.21 26.91 14.39 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.942 0.401 . . . . 65.42 111.164 -176.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 91' ' ' ASN . 86.4 m-20 72.45 1.37 3.94 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.191 -0.913 . . . . 74.14 112.386 -175.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.6 m -79.03 99.95 7.11 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.667 -0.864 . . . . 71.0 108.667 171.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 48.0 t -97.37 118.71 44.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.87 -0.604 . . . . 62.22 110.416 -177.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.553 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 17.6 m95 -108.52 101.48 10.64 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.868 -0.605 . . . . 73.41 109.799 -177.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.424 ' HD1' ' OD2' ' A' ' 87' ' ' ASP . 6.6 m-85 -73.32 84.15 1.42 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.418 -0.586 . . . . 74.54 109.418 177.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.57 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 24.5 tp -100.59 142.71 31.68 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.228 -0.286 . . . . 62.54 110.228 -169.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.73 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 18.2 ttp180 -143.0 154.44 44.01 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.024 -0.362 . . . . 72.32 110.024 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 103' ' ' ASP . . . -57.86 136.97 57.08 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.133 -0.321 . . . . 64.41 110.133 174.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.487 HE22 ' HH2' ' A' ' 108' ' ' TRP . 26.7 mp0 -64.31 -71.34 0.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.103 -0.499 . . . . 54.4 111.407 -175.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.736 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 19.0 t70 -148.3 -63.6 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.451 0 N-CA-C 111.894 0.331 . . . . 63.01 111.894 -177.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 89.5 Cg_endo -89.55 8.25 3.8 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.101 1.867 . . . . 72.11 111.778 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.521 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . 6.0 m-20 -96.05 161.27 14.05 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.229 -0.896 . . . . 74.34 111.346 -173.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.541 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 28.5 m170 -119.8 175.97 5.63 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.319 -0.993 . . . . 65.31 108.319 168.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.603 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 3.6 ppt_? -68.27 -12.77 61.56 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.338 -0.545 . . . . 75.54 111.225 -178.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.436 ' HG2' ' HB2' ' A' ' 104' ' ' HIS . 7.5 pt20 -55.87 -25.62 43.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.461 -0.79 . . . . 74.32 111.607 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 8.9 mm100 -57.95 -40.83 81.5 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.039 0.447 . . . . 73.24 110.041 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.599 ' HD1' ' HD2' ' A' ' 86' ' ' PHE . 9.1 m95 -76.1 -42.72 46.27 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 109.114 -0.699 . . . . 73.25 109.114 -176.036 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 33.2 mm -59.35 -53.68 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 115.091 -0.959 . . . . 64.43 109.987 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 114' ' ' GLN . 6.1 t70 -56.9 -47.4 80.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.692 -0.685 . . . . 73.33 110.645 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.76 -61.7 2.19 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.553 0.692 . . . . 44.0 110.962 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.669 HG12 ' HG ' ' A' ' 71' ' ' LEU . 30.4 mt -67.39 -47.21 81.68 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 115.917 -0.583 . . . . 74.23 111.779 -172.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.752 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 72.6 mm-40 -56.13 -44.61 79.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 54.12 111.16 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.459 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 2.6 mp0 -76.46 -16.24 59.71 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.474 -0.491 . . . . 75.13 111.657 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.755 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 94.4 m-70 -111.89 6.85 19.78 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 114.145 1.165 . . . . 73.32 114.145 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.752 ' HE2' ' O ' ' A' ' 113' ' ' GLU . 28.3 mtmt -49.97 166.99 0.06 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 122.196 0.998 . . . . 73.12 112.898 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.312 -1.044 0 CA-C-N 114.363 -1.289 . . . . 53.14 110.848 -166.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.106 -0.331 . . . . 73.14 110.106 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -72.34 -70.59 0.33 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.223 0.535 . . . . 65.53 110.372 -174.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.549 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 4.4 tpm_? -128.56 120.79 27.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.744 -0.662 . . . . 75.33 109.979 178.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.0 p -139.04 109.51 6.55 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.761 -0.654 . . . . 63.31 109.307 172.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.28 175.84 41.67 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.384 -0.912 . . . . 75.22 112.2 -177.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.448 HG13 ' HE3' ' A' ' 44' ' ' TRP . 1.9 m -92.76 132.57 36.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.493 0.663 . . . . 70.24 111.742 -178.095 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.527 HD13 ' N ' ' A' ' 31' ' ' SER . 1.9 tm? -105.83 130.74 53.74 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.058 -0.974 . . . . 73.41 108.76 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.527 ' N ' HD13 ' A' ' 30' ' ' LEU . 1.1 p -95.64 88.95 5.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.862 -0.608 . . . . 61.11 110.951 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HE3' ' CE2' ' A' ' 96' ' ' TYR . 27.4 tptp -113.37 131.8 55.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.233 -0.44 . . . . 75.05 110.884 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.555 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 2.9 m-90 -63.47 146.08 54.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.699 -0.682 . . . . 61.12 110.246 177.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.9 t -169.75 -28.24 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.268 -0.424 . . . . 53.52 110.612 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.651 ' HB2' ' HB2' ' A' ' 38' ' ' HIS . 84.3 m-20 -111.08 120.84 43.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.38 -0.6 . . . . 60.04 109.38 176.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -57.17 -51.17 70.4 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 111.88 0.326 . . . . 63.24 111.88 -177.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.597 HG13 ' HD2' ' A' ' 38' ' ' HIS . 29.7 pt -76.14 3.65 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.991 0.424 . . . . 74.41 111.744 -175.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.651 ' HB2' ' HB2' ' A' ' 35' ' ' ASN . 23.6 m170 -116.03 -46.65 2.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.426 0.632 . . . . 74.44 110.273 178.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.476 ' O ' ' HA ' ' A' ' 33' ' ' TRP . . . 98.3 -116.31 5.52 Favored Glycine 0 N--CA 1.438 -1.214 0 N-CA-C 110.22 -1.152 . . . . 63.52 110.22 -170.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.608 ' HZ3' ' HB3' ' A' ' 42' ' ' ASP . 67.2 p-90 -83.27 143.77 30.19 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.91 0.386 . . . . 70.22 110.517 177.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -112.87 149.97 32.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.889 -0.596 . . . . 72.43 109.689 170.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.608 ' HB3' ' HZ3' ' A' ' 40' ' ' TRP . 12.1 p-10 -103.9 112.57 25.6 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.68 0.752 . . . . 71.31 110.334 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -116.0 148.9 39.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.187 -0.915 . . . . 62.41 109.618 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.448 ' HE3' HG13 ' A' ' 29' ' ' VAL . 67.7 t-105 -90.78 111.66 23.13 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.942 -0.392 . . . . 75.11 109.942 -175.157 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 p -110.25 142.71 21.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-O 121.213 0.53 . . . . 72.44 110.714 -175.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 37.8 t -136.22 130.93 48.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.25 -0.886 . . . . 74.32 110.92 -175.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.9 tt -115.11 125.41 53.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.859 -0.793 . . . . 75.23 108.859 175.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -164.51 163.59 22.0 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 110.509 -0.182 . . . . 75.22 110.509 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.537 ' O ' ' HB3' ' A' ' 115' ' ' HIS . 13.5 m120 64.5 -90.81 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.011 0.524 . . . . 72.43 110.061 -178.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.513 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 2.8 t-20 -162.01 36.46 0.12 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 106.246 -1.761 . . . . 74.23 106.246 164.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -134.82 158.27 44.64 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 113.826 -1.534 . . . . 63.5 110.187 -176.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 46' ' ' VAL . 31.5 tp -121.74 130.45 53.44 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.563 -0.744 . . . . 74.23 109.157 177.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 20.9 m -129.4 157.95 40.52 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.901 -0.591 . . . . 65.33 109.46 -176.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.609 ' HB3' ' HZ3' ' A' ' 95' ' ' TRP . 1.2 p90 -146.73 155.78 42.66 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.183 -0.607 . . . . 72.34 110.382 176.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.41 ' HD2' ' O ' ' A' ' 64' ' ' GLY . 10.3 m-85 -130.63 163.74 26.5 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.264 -1.013 . . . . 63.42 108.264 -177.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -55.19 -47.68 74.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.842 0.354 . . . . 71.22 111.193 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.4 m -156.55 -167.27 2.35 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.651 -0.499 . . . . 54.44 109.651 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.404 ' C ' ' H ' ' A' ' 60' ' ' GLU . 35.1 tt0 -63.86 -21.38 66.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.812 0.339 . . . . 70.23 110.665 -176.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.491 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 5.5 m-20 -74.14 42.1 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.079 0.466 . . . . 72.03 110.672 176.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.424 ' H ' ' HG3' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -60.83 -21.58 63.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.904 -0.589 . . . . 73.42 111.055 -178.811 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.73 -34.54 62.62 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.745 -1.116 . . . . 72.31 111.783 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -114.62 -24.36 8.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.361 -0.381 . . . . 72.34 111.195 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 8.3 m-85 -69.23 -39.73 78.35 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 121.023 -0.271 . . . . 72.21 111.418 -178.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.41 ' O ' ' HD2' ' A' ' 55' ' ' TYR . . . 75.65 170.43 28.6 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.53 -0.843 . . . . 61.12 111.516 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.7 p -69.7 118.82 13.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.378 0.609 . . . . 64.41 110.742 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.463 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 12.7 mmm180 -81.48 -34.63 31.24 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.612 -0.722 . . . . 65.5 110.228 178.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -147.58 148.98 21.01 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.012 -0.995 . . . . 72.53 110.988 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.6 t -154.78 106.99 2.73 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.844 -0.428 . . . . 63.41 109.844 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.601 ' HB ' HG11 ' A' ' 90' ' ' VAL . 26.8 pt -111.49 156.14 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.922 0.392 . . . . 70.42 111.324 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 57.1 m -94.79 121.48 36.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.527 -0.761 . . . . 75.22 110.055 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.808 HD23 HG12 ' A' ' 112' ' ' ILE . 6.6 mp -86.24 16.66 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.065 0.46 . . . . 64.12 110.936 -176.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.1 m -64.97 -45.95 83.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.805 -0.634 . . . . 72.12 110.727 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.24 15.75 5.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.38 -0.373 . . . . 75.2 111.39 -178.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.403 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -65.29 130.45 43.37 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.289 -0.414 . . . . 45.21 110.464 177.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.7 t -85.76 114.19 25.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.212 -0.449 . . . . 74.15 110.478 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.503 HG22 ' HD2' ' A' ' 86' ' ' PHE . 50.5 mt -81.36 99.35 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.364 -0.606 . . . . 71.4 109.364 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.432 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 14.6 m -102.43 113.14 66.02 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.125 -0.489 . . . . 73.22 110.953 -174.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 77' ' ' THR . 13.9 Cg_endo -57.58 130.93 41.37 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.118 1.879 . . . . 63.54 110.892 175.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -63.02 -24.53 67.96 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.25 -0.278 . . . . 71.43 110.25 -178.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.1 t70 73.28 -56.82 0.65 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.895 0.878 . . . . 71.24 111.845 171.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -66.9 -18.58 65.45 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.006 -0.738 . . . . 63.33 109.006 173.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -119.17 141.85 48.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.071 -0.968 . . . . 53.33 108.835 173.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -95.33 -16.01 22.7 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.135 -0.484 . . . . 75.21 110.694 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 65.7 m -116.04 -0.58 12.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.087 -0.506 . . . . 63.21 111.435 -174.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.543 ' HB2' ' HG3' ' A' ' 98' ' ' ARG . 56.8 ttm-85 -111.19 140.18 45.96 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.475 0.655 . . . . 72.34 111.846 176.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.503 ' HD2' HG22 ' A' ' 76' ' ' ILE . 10.1 m-85 -131.7 130.67 42.29 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.905 -1.043 . . . . 64.34 109.983 176.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.493 ' HA ' ' O ' ' A' ' 95' ' ' TRP . 1.4 m-20 -94.99 125.69 39.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.125 -0.489 . . . . 72.44 110.032 -178.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.794 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 33.1 mm -98.17 103.49 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.586 -0.279 . . . . 70.54 110.438 -178.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.3 m -106.25 114.34 28.4 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 121.223 0.535 . . . . 71.43 111.556 -176.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.601 HG11 ' HB ' ' A' ' 69' ' ' ILE . 14.8 p -140.09 128.56 26.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.05 -0.722 . . . . 51.01 109.05 174.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 19.3 m120 61.31 22.63 12.97 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.466 0.174 . . . . 51.44 111.247 -176.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.8 t70 75.28 2.31 3.86 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 123.817 0.698 . . . . 64.24 111.601 -175.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 48.9 m -82.65 99.75 9.78 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.948 -0.76 . . . . 74.11 108.948 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 40.0 t -89.6 124.3 42.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.805 -0.634 . . . . 74.41 111.082 -175.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.794 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 25.3 m95 -109.21 165.03 11.92 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.653 -0.703 . . . . 73.42 109.24 177.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.47 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 2.4 m-85 -133.67 96.16 3.63 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.773 -0.371 . . . . 71.51 110.428 -176.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.7 mt -100.44 121.19 41.13 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.027 -0.36 . . . . 73.21 110.027 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.543 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 2.0 ttp180 -114.65 167.21 10.95 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.936 -0.394 . . . . 73.13 109.936 -178.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.513 ' HB1' ' O ' ' A' ' 101' ' ' ASP . . . -76.47 129.95 37.26 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.207 -0.451 . . . . 64.22 110.735 176.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.446 ' CD ' ' H ' ' A' ' 100' ' ' GLN . 10.5 mp0 -66.31 -45.7 79.42 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 107.943 -1.132 . . . . 71.53 107.943 173.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.513 ' O ' ' HB1' ' A' ' 99' ' ' ALA . 11.5 p-10 -105.82 120.93 47.53 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 114.475 -1.239 . . . . 64.22 108.237 169.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 31.6 Cg_exo -58.7 94.32 0.08 OUTLIER 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 123.317 2.678 . . . . 73.51 114.194 -170.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' A' ' 104' ' ' HIS . 7.7 t70 -161.59 -163.58 1.0 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.894 -0.78 . . . . 73.21 108.894 174.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.429 ' H ' ' CG ' ' A' ' 103' ' ' ASP . 73.0 m80 -63.21 146.49 53.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.94 0.4 . . . . 72.11 110.789 -176.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.792 ' NE ' ' HA ' ' A' ' 105' ' ' ARG . 3.9 mmp_? -90.24 34.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.624 0.726 . . . . 73.33 111.977 -178.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -61.55 -18.29 58.57 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.378 -1.283 . . . . 72.12 110.68 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -53.96 -43.46 69.93 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.412 -0.813 . . . . 72.41 110.315 177.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.744 ' HE1' ' HD3' ' A' ' 105' ' ' ARG . 14.0 m95 -75.46 -40.68 57.12 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.819 -0.628 . . . . 52.43 109.581 -175.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 29.7 mm -55.92 -56.86 10.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.339 -0.846 . . . . 73.53 109.417 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -55.89 -51.33 67.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.633 -0.712 . . . . 71.45 111.064 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.0 -53.87 51.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.338 -0.392 . . . . 63.44 111.708 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.808 HG12 HD23 ' A' ' 71' ' ' LEU . 45.7 mt -70.89 -44.91 75.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.678 -0.237 . . . . 71.23 111.423 -174.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.493 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 23.3 mm-40 -64.33 -28.63 69.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 73.15 111.049 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -89.73 -16.98 29.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.715 0.293 . . . . 63.0 111.289 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.537 ' HB3' ' O ' ' A' ' 49' ' ' ASN . 10.1 m-70 -97.81 -0.28 45.48 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.193 0.442 . . . . 74.24 112.193 175.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.976 ' HE2' ' HA ' ' A' ' 116' ' ' LYS . 8.1 mmpt? -40.57 133.04 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.434 0.901 . . . . 75.03 113.434 177.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.249 1.055 0 CA-C-N 114.443 -1.253 . . . . 53.24 109.079 177.647 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 109.701 -0.481 . . . . 73.24 109.701 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.675 ' HG2' ' HA ' ' A' ' 48' ' ' LYS . 4.6 mm-40 -78.19 -34.5 49.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.16 0.505 . . . . 74.23 110.559 -173.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.48 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 5.2 tpm_? -163.69 127.12 2.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.803 -0.635 . . . . 63.35 109.529 176.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.4 p -143.78 110.12 5.45 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.884 -0.413 . . . . 71.12 109.884 174.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.29 172.03 44.85 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.289 -0.958 . . . . 72.1 112.138 -178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.426 HG13 ' HE3' ' A' ' 44' ' ' TRP . 3.3 m -84.88 130.18 36.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.663 0.744 . . . . 52.05 111.116 179.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.431 HD21 ' O ' ' A' ' 96' ' ' TYR . 45.0 tp -114.92 135.29 54.37 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.862 -1.063 . . . . 63.13 109.366 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.3 m -89.31 114.16 25.52 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.057 0.456 . . . . 73.45 111.007 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HE3' ' CD1' ' A' ' 96' ' ' TYR . 25.2 tptp -140.89 122.29 14.97 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.487 -0.56 . . . . 70.34 109.487 177.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.665 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 3.9 p90 -74.78 129.6 37.98 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.05 0.452 . . . . 72.22 109.959 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.7 t -134.41 22.87 3.73 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.849 0.833 . . . . 75.44 108.764 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -140.77 -62.65 0.48 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.816 -1.084 . . . . 75.12 109.396 -178.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.534 ' O ' ' HB2' ' A' ' 33' ' ' TRP . 91.7 m-85 -141.24 159.8 41.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.866 -0.607 . . . . 75.53 109.571 175.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 68.3 mt -57.84 -47.53 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 120.715 0.293 . . . . 61.23 111.56 -177.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -81.48 -20.9 39.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.119 0.485 . . . . 73.53 110.224 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.36 72.45 0.95 Allowed Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.756 -0.735 . . . . 65.12 111.638 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.665 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 22.1 p90 -80.45 144.01 32.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.31 0.576 . . . . 65.42 110.671 178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -98.95 144.79 27.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.77 -0.65 . . . . 71.12 109.801 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -102.0 123.51 46.01 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.403 -0.592 . . . . 72.24 109.403 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.62 ' HD2' ' CE2' ' A' ' 54' ' ' TYR . 27.0 ptt180 -127.07 149.02 50.12 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.782 -0.645 . . . . 74.52 110.525 -174.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.426 ' HE3' HG13 ' A' ' 29' ' ' VAL . 68.3 t-105 -88.16 113.29 23.64 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.838 0.352 . . . . 70.34 110.261 -176.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.0 t -109.08 131.69 59.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 116.004 -0.544 . . . . 75.4 111.17 -174.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.55 ' O ' HD12 ' A' ' 52' ' ' LEU . 31.0 t -129.08 122.79 57.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-N 115.39 -0.823 . . . . 64.01 111.162 -179.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 48' ' ' LYS . 5.9 tt -116.66 130.83 56.96 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.995 -0.743 . . . . 74.05 108.995 176.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.675 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 52.1 pttt 179.74 161.79 0.9 Allowed 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.347 0.404 . . . . 71.25 110.876 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 56.28 32.6 20.69 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.512 0.507 . . . . 74.23 112.06 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.559 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 3.4 t-20 63.41 23.24 13.63 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.78 0.8 . . . . 65.41 110.263 -178.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.13 163.33 27.91 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.294 -0.866 . . . . 74.34 110.48 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.717 HD23 HD11 ' A' ' 69' ' ' ILE . 64.6 tp -140.48 134.76 31.15 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.305 -0.628 . . . . 73.0 109.305 177.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 49.6 m -149.45 145.95 27.18 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.331 -0.395 . . . . 63.45 109.992 -177.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.62 ' CE2' ' HD2' ' A' ' 43' ' ' ARG . 1.7 p90 -133.44 156.54 47.52 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.389 0.614 . . . . 61.14 110.917 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.445 ' CD1' ' HB3' ' A' ' 60' ' ' GLU . 4.1 m-85 -137.16 -179.71 5.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.091 -0.959 . . . . 72.21 109.616 -171.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -72.75 -38.0 67.5 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.196 0.443 . . . . 62.5 112.196 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.503 ' HB3' ' HE2' ' A' ' 63' ' ' TYR . 8.6 t -162.01 -168.58 1.95 Allowed 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.791 -0.364 . . . . 63.24 110.533 -176.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.75 -24.19 67.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.854 -0.612 . . . . 72.1 112.102 -172.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.443 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 9.8 m-20 -81.64 42.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.163 0.506 . . . . 73.04 110.79 176.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -46.86 -33.39 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.118 -0.946 . . . . 71.42 113.336 -178.56 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.1 t -58.0 -26.86 62.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.233 0.456 . . . . 74.45 112.233 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -113.37 1.66 15.2 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.513 -0.475 . . . . 64.32 111.265 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.503 ' HE2' ' HB3' ' A' ' 57' ' ' SER . 16.3 m-85 -99.39 6.06 46.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.208 0.527 . . . . 74.22 110.528 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.83 -112.58 4.84 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.269 -0.878 . . . . 71.12 112.482 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.5 p -163.56 116.94 1.52 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.14 -0.689 . . . . 75.35 109.14 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 -90.99 -8.64 48.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.693 0.758 . . . . 75.43 109.89 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -172.92 129.51 1.71 Allowed Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 114.711 -1.131 . . . . 63.44 110.51 176.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.7 t -142.91 129.45 20.18 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.751 0.31 . . . . 70.04 110.286 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.717 HD11 HD23 ' A' ' 52' ' ' LEU . 16.5 pt -134.43 156.29 40.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.932 -0.577 . . . . 64.21 111.003 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 99.3 m -104.99 125.88 51.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.009 -0.541 . . . . 43.04 110.018 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.982 HD23 HG12 ' A' ' 112' ' ' ILE . 6.3 mp -82.9 10.54 7.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.763 -0.653 . . . . 65.01 111.734 -171.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.9 t -83.73 -13.12 54.76 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.851 -0.425 . . . . 72.04 109.851 174.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.4 22.25 2.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.215 0.531 . . . . 74.22 110.287 175.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.985 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -92.59 106.6 18.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.704 -0.68 . . . . 61.01 110.288 179.111 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.2 t -81.41 123.25 37.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.91 -0.587 . . . . 71.42 110.538 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.608 HD11 HD12 ' A' ' 112' ' ' ILE . 59.8 mt -81.96 106.18 12.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.011 -0.541 . . . . 64.42 110.691 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 90.3 m -94.07 124.15 57.01 Favored Pre-proline 0 C--N 1.317 -0.823 0 CA-C-N 115.816 -0.629 . . . . 74.31 109.702 176.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 16.7 Cg_exo -66.78 135.68 39.19 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.29 1.993 . . . . 74.32 111.52 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.472 ' HB3' ' O ' ' A' ' 85' ' ' ARG . 22.2 p80 -44.44 161.53 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.343 0.592 . . . . 74.14 112.233 172.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -107.58 -6.93 16.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.959 -0.564 . . . . 71.3 109.977 174.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.13 -56.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.789 0.662 . . . . 74.25 112.789 -171.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.593 ' HB3' ' CB ' ' A' ' 85' ' ' ARG . 13.7 t70 -65.92 130.0 41.73 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 120.939 0.399 . . . . 71.5 111.686 -171.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -65.58 -22.59 66.7 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.698 -0.683 . . . . 75.05 112.06 -172.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 98' ' ' ARG . 59.4 m -119.89 0.92 10.93 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.85 -0.34 . . . . 62.31 111.842 -175.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.593 ' CB ' ' HB3' ' A' ' 82' ' ' ASP . 20.9 ttm180 -84.19 142.94 29.96 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.762 0.792 . . . . 72.34 112.849 -176.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.551 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 7.5 m-85 -138.7 118.07 12.83 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.154 -1.385 . . . . 74.4 108.556 166.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -88.41 121.19 30.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.562 -0.745 . . . . 62.53 110.195 -173.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.791 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 31.8 mm -91.25 139.84 17.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.799 -0.445 . . . . 54.54 109.799 -179.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.7 p -133.74 114.57 13.57 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.388 0.613 . . . . 44.01 110.798 176.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.985 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 1.9 p -158.3 134.65 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.546 -0.752 . . . . 73.24 109.926 -177.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 59.66 26.88 16.02 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.059 0.456 . . . . 73.41 110.773 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.5 t70 65.45 11.31 7.28 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.012 -0.994 . . . . 60.32 111.287 -175.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.3 m -96.87 113.23 24.76 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.371 -0.603 . . . . 54.13 109.371 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 48.6 t -94.1 123.36 46.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.157 0.503 . . . . 73.42 110.458 -178.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.791 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 28.6 m95 -111.08 155.74 22.36 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.687 -0.688 . . . . 53.44 109.906 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.47 ' CD1' ' HE3' ' A' ' 32' ' ' LYS . 41.8 m-85 -123.82 92.83 3.76 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 109.699 -0.482 . . . . 61.41 109.699 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.438 HD23 HG12 ' A' ' 88' ' ' ILE . 4.6 mm? -90.9 148.77 22.24 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.835 -0.432 . . . . 74.43 109.835 -178.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 2.9 ttt180 -140.19 136.23 33.22 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.097 -0.501 . . . . 74.12 110.159 -177.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.33 172.48 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.548 -0.296 . . . . 74.13 110.446 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -56.77 -65.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 75.1 111.243 -176.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.676 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 20.3 t70 -166.38 -53.63 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.314 -0.403 . . . . 70.14 110.379 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.676 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 86.7 Cg_endo -85.89 -162.5 0.15 Allowed 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.202 1.935 . . . . 54.12 111.369 173.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -74.86 95.62 2.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.441 0.639 . . . . 73.43 110.692 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -149.45 29.36 0.78 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.74 0.781 . . . . 73.23 108.917 176.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.666 HH11 HG13 ' A' ' 109' ' ' ILE . 1.0 OUTLIER -67.49 -25.9 66.09 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.561 -1.199 . . . . 72.11 110.826 -179.672 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -50.55 -19.67 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.265 -0.879 . . . . 62.32 112.658 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -49.62 -49.8 45.51 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-O 120.969 0.414 . . . . 71.11 110.689 176.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.423 ' O ' HG13 ' A' ' 112' ' ' ILE . 10.6 m95 -70.02 -46.16 65.68 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.752 -0.658 . . . . 73.35 109.805 -174.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.666 HG13 HH11 ' A' ' 105' ' ' ARG . 17.6 mm -59.79 -58.63 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.149 -0.932 . . . . 73.34 110.085 -177.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -55.48 -49.4 72.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.64 -0.709 . . . . 64.0 111.112 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.51 -59.49 4.38 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.216 -0.447 . . . . 54.01 111.041 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.982 HG12 HD23 ' A' ' 71' ' ' LEU . 19.8 mt -67.68 -48.79 74.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.686 -0.406 . . . . 75.33 111.346 -174.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -54.25 -41.82 69.22 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.874 0.369 . . . . 70.45 111.898 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -83.48 -26.98 29.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.254 -0.43 . . . . 74.23 111.861 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 16.6 m-70 -91.5 -23.96 19.8 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.108 0.781 . . . . 63.32 113.108 -176.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.467 ' O ' ' HE3' ' A' ' 116' ' ' LYS . 0.9 OUTLIER -69.56 152.46 44.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.133 0.492 . . . . 73.13 110.634 -177.455 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 37.6 p . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.789 -0.624 . . . . 72.34 110.495 -179.311 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.625 0.25 . . . . 44.13 110.419 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.414 ' CD ' ' HE2' ' A' ' 115' ' ' HIS . 2.7 mm-40 -68.41 -55.78 10.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.244 0.545 . . . . 63.11 109.921 -177.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 3.0 tpm_? -154.62 129.22 9.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.602 -0.727 . . . . 73.43 109.782 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 12.6 p -139.67 115.34 10.07 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.47 -0.567 . . . . 55.42 109.47 174.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -162.83 176.43 39.12 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.551 -0.833 . . . . 70.53 111.972 -178.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.1 m -88.95 137.46 21.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.627 0.727 . . . . 72.52 111.441 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.1 tp -116.79 131.44 56.95 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.95 -1.023 . . . . 74.43 109.361 176.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 p -99.06 113.74 26.09 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.105 -0.498 . . . . 52.43 110.699 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.458 ' HE3' ' CE3' ' A' ' 33' ' ' TRP . 36.0 tptt -158.43 165.57 34.33 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.505 -0.554 . . . . 75.52 109.505 177.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.878 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 3.5 p90 -62.07 152.14 33.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.079 0.466 . . . . 74.24 110.815 -174.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.653 ' HB ' ' NH2' ' A' ' 43' ' ' ARG . 10.1 t -125.93 -31.97 2.84 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.1 -0.5 . . . . 53.31 109.985 175.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.764 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 81.8 m-20 -151.31 177.64 10.05 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.197 -1.038 . . . . 73.22 108.197 177.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -75.88 -60.01 2.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.11 0.481 . . . . 75.4 110.299 175.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.0 tp -81.52 -12.11 12.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.289 0.566 . . . . 71.22 111.34 -176.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.764 ' HB3' ' HB2' ' A' ' 35' ' ' ASN . 13.6 t-160 -94.06 -2.57 52.7 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.662 -0.496 . . . . 72.2 109.662 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.66 -157.06 42.24 Favored Glycine 0 C--O 1.239 0.431 0 CA-C-N 115.537 -0.756 . . . . 71.21 113.744 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.878 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 46.3 p90 -93.98 138.97 31.5 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.481 -0.562 . . . . 71.03 109.481 177.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.51 ' HB3' HH21 ' A' ' 43' ' ' ARG . 16.4 tt0 -132.36 165.78 23.46 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.909 0.385 . . . . 71.25 110.07 -175.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -86.82 151.54 23.27 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.085 -0.709 . . . . 70.11 109.085 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.653 ' NH2' ' HB ' ' A' ' 34' ' ' THR . 3.0 ptp180 -147.48 142.74 27.27 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.996 -0.547 . . . . 71.34 109.592 175.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.661 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 68.7 t-105 -89.01 110.7 21.36 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.627 -0.429 . . . . 74.22 110.043 -174.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.475 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 18.6 m -105.2 138.33 30.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-O 121.11 0.481 . . . . 64.3 110.476 -176.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.51 HG13 ' HB2' ' A' ' 53' ' ' SER . 7.1 p -139.06 126.44 25.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.712 -0.676 . . . . 72.51 110.317 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.406 HD23 ' N ' ' A' ' 48' ' ' LYS . 5.9 tt -106.31 129.54 54.31 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.075 -0.713 . . . . 74.41 109.075 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.406 ' N ' HD23 ' A' ' 47' ' ' LEU . 52.6 tptt -173.27 146.11 1.38 Allowed 'General case' 0 C--N 1.333 -0.135 0 O-C-N 123.253 0.346 . . . . 74.12 110.234 -178.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.5 m120 59.84 27.11 16.38 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.141 0.423 . . . . 64.31 112.141 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.547 ' ND2' ' HA ' ' A' ' 116' ' ' LYS . 61.4 t30 73.68 3.59 4.54 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.363 0.665 . . . . 75.24 110.712 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.18 148.74 29.48 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.561 -0.745 . . . . 74.22 109.742 177.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.44 ' HB2' HD21 ' A' ' 71' ' ' LEU . 43.8 tp -119.76 131.45 55.35 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 109.65 -0.5 . . . . 72.43 109.65 178.076 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.51 ' HB2' HG13 ' A' ' 46' ' ' VAL . 75.8 m -127.13 155.88 42.64 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.48 -0.782 . . . . 71.15 110.205 -172.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.661 ' HA ' ' O ' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -148.38 148.11 29.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.367 0.603 . . . . 70.21 110.885 172.816 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -121.35 171.74 8.54 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.928 -1.033 . . . . 61.43 109.263 -178.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.509 ' HD2' ' CD1' ' A' ' 63' ' ' TYR . 95.7 mttt -60.39 -36.3 77.77 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.372 0.42 . . . . 74.51 111.087 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.7 t -167.91 -164.6 0.57 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.008 -0.738 . . . . 54.24 109.008 175.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -69.36 -32.55 71.67 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.244 0.34 . . . . 71.0 111.601 -171.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -78.57 54.88 1.54 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.875 0.845 . . . . 42.51 109.569 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.457 ' HA ' ' HB2' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -51.33 -20.19 1.61 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.226 -1.352 . . . . 74.05 112.496 178.398 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -47.18 64.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.96 -0.564 . . . . 65.4 112.238 178.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -100.67 -0.81 36.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.014 0.435 . . . . 55.14 110.892 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.509 ' CD1' ' HD2' ' A' ' 56' ' ' LYS . 16.9 m-85 -99.86 -8.74 23.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.224 -0.443 . . . . 73.25 111.343 -176.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.16 -91.15 0.19 Allowed Glycine 0 C--N 1.331 0.305 0 O-C-N 123.549 0.531 . . . . 62.3 112.704 173.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.8 p -167.68 149.87 5.72 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.584 -0.525 . . . . 52.35 109.584 176.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.522 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 11.3 mmm180 -119.08 -46.66 2.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.204 0.526 . . . . 72.22 111.373 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -144.48 145.46 14.97 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.323 -0.942 . . . . 73.0 112.462 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.2 p -149.39 113.72 5.24 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.92 -0.4 . . . . 62.21 109.92 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 44.8 pt -116.16 164.24 12.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.086 -0.506 . . . . 74.13 110.927 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.1 m -109.45 126.7 53.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.823 -0.626 . . . . 53.15 110.103 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.443 ' HG ' HG12 ' A' ' 112' ' ' ILE . 4.1 mm? -73.14 10.16 1.03 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.292 -0.413 . . . . 73.12 111.883 -177.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 p -73.9 -58.42 3.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.266 -0.425 . . . . 74.31 111.111 178.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.94 -6.29 22.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.335 -0.393 . . . . 65.23 111.199 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.419 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -72.31 112.94 8.81 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.768 -0.456 . . . . 60.02 109.768 176.028 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 69.3 t -77.05 124.71 35.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.146 -0.479 . . . . 62.12 111.423 -173.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.549 HD11 HD13 ' A' ' 112' ' ' ILE . 47.0 mt -79.96 100.04 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.678 -0.692 . . . . 62.13 109.601 173.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.424 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 18.0 m -101.09 107.8 51.71 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 116.053 -0.522 . . . . 51.04 109.856 177.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 77' ' ' THR . 18.8 Cg_endo -59.47 130.15 34.36 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.261 1.974 . . . . 52.33 110.885 176.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -75.32 138.69 41.97 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.507 -0.553 . . . . 74.21 109.507 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -85.17 -44.49 12.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.084 0.469 . . . . 73.4 110.727 -174.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -71.27 -31.74 67.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.722 -0.672 . . . . 65.1 110.463 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.424 ' HB2' ' HB3' ' A' ' 85' ' ' ARG . 1.5 m-20 -115.0 108.33 16.55 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.598 -0.728 . . . . 64.42 109.687 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.56 -37.59 71.06 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.282 0.563 . . . . 71.31 110.046 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 31.5 m -82.19 12.55 4.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.594 -0.73 . . . . 70.01 111.353 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.743 ' HD3' ' HB3' ' A' ' 96' ' ' TYR . 30.7 ttm-85 -120.6 141.69 50.09 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.407 0.623 . . . . 71.12 111.248 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -127.78 131.91 49.56 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.156 -0.929 . . . . 73.02 109.422 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.482 ' OD1' HG22 ' A' ' 94' ' ' VAL . 17.5 t70 -104.32 132.93 50.03 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.717 -0.674 . . . . 44.33 110.8 -175.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.738 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 32.2 mm -111.9 101.51 12.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 CA-C-N 116.046 -0.525 . . . . 74.14 110.198 -178.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.1 p -108.23 118.57 37.11 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 120.803 0.335 . . . . 73.24 111.411 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.419 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 10.7 p -132.45 123.82 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.32 -0.622 . . . . 71.31 109.32 174.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.9 p30 43.59 -78.62 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.734 1.214 . . . . 64.34 113.759 -169.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -126.07 -18.27 5.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.314 0.578 . . . . 74.53 110.62 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.542 ' HB3' ' HE1' ' A' ' 95' ' ' TRP . 18.7 m -80.09 117.17 20.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.45 -0.795 . . . . 63.14 110.005 -177.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.482 HG22 ' OD1' ' A' ' 87' ' ' ASP . 9.8 p -124.05 121.9 63.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.416 0.627 . . . . 72.11 110.163 -176.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.738 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 17.6 m95 -118.66 100.97 7.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.102 -0.499 . . . . 73.44 111.41 -168.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.743 ' HB3' ' HD3' ' A' ' 85' ' ' ARG . 33.4 m-85 -87.75 80.6 7.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.424 -0.353 . . . . 70.32 111.162 -178.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -89.25 142.83 27.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 75.04 110.955 -175.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.507 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 0.5 OUTLIER -121.45 155.76 34.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.451 -0.341 . . . . 73.24 110.675 -178.072 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.472 ' O ' ' HG2' ' A' ' 100' ' ' GLN . . . -79.87 49.5 1.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 75.52 111.338 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.71 ' HG2' ' H ' ' A' ' 101' ' ' ASP . 0.5 OUTLIER 48.48 -76.98 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.983 1.313 . . . . 75.33 113.01 -176.063 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.774 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 21.6 t70 -149.34 -55.09 0.02 OUTLIER Pre-proline 0 C--N 1.319 -0.726 0 O-C-N 122.061 -0.4 . . . . 74.23 111.097 -178.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.774 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 37.3 Cg_exo -62.28 121.04 8.88 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 121.862 1.708 . . . . 63.41 111.649 175.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.13 99.79 0.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 73.4 110.831 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.705 ' HB3' HE22 ' A' ' 106' ' ' GLN . 0.1 OUTLIER -168.28 91.08 0.3 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.356 -1.349 . . . . 72.52 107.356 176.84 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -92.28 -4.13 54.45 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 114.803 -1.089 . . . . 74.42 111.323 -163.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.705 HE22 ' HB3' ' A' ' 104' ' ' HIS . 5.6 pm0 -62.94 -11.01 15.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.318 -0.855 . . . . 71.11 110.87 -172.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -53.22 -45.84 68.82 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.277 -0.42 . . . . 65.21 110.203 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -72.92 -41.3 64.7 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.138 -0.69 . . . . 74.21 109.138 -176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.8 mm -59.12 -56.67 15.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.218 -0.901 . . . . 74.34 110.229 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -62.11 -47.88 82.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.564 -0.744 . . . . 74.5 111.103 -176.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.04 -58.47 7.76 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.434 0.635 . . . . 51.32 110.847 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.549 HD13 HD11 ' A' ' 76' ' ' ILE . 43.7 mt -66.11 -45.53 90.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.825 -0.625 . . . . 71.53 111.162 -174.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.473 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 4.9 mm-40 -58.05 -39.58 78.82 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.45 0.537 . . . . 73.12 112.45 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -81.09 -20.33 41.75 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 120.645 -0.422 . . . . 62.42 111.471 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.459 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 22.7 m-70 -101.74 -18.65 15.71 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 114.266 1.21 . . . . 54.21 114.266 -178.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.564 ' HD2' ' C ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -67.33 160.52 27.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.303 0.573 . . . . 62.44 112.093 -172.495 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 C--O 1.252 1.193 0 CA-C-N 115.385 -0.825 . . . . 71.21 110.021 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 120.652 0.263 . . . . 74.23 110.363 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -94.24 -70.86 0.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.618 -0.512 . . . . 73.01 109.618 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.14 117.68 22.03 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.271 -0.422 . . . . 72.44 109.934 174.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 p -132.25 118.43 19.49 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.296 -0.631 . . . . 63.53 109.296 175.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.33 -177.72 39.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.091 -1.052 . . . . 64.13 112.493 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.691 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 0.4 OUTLIER -97.91 134.97 34.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.385 0.612 . . . . 63.33 111.893 -179.531 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.505 HD23 ' HE ' ' A' ' 43' ' ' ARG . 61.4 tp -114.07 116.24 28.84 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.054 -0.975 . . . . 63.03 109.585 177.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 p -80.3 106.73 12.54 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.235 -0.439 . . . . 63.22 111.044 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.614 ' HE2' ' CD1' ' A' ' 96' ' ' TYR . 6.1 tmtm? -159.24 159.19 33.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.48 -0.327 . . . . 74.25 110.244 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.525 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 2.2 t90 -52.76 127.69 24.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.857 -0.61 . . . . 63.35 111.094 176.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 t -130.33 -12.56 3.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.851 -0.613 . . . . 72.05 110.305 176.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -145.01 -64.59 0.34 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 64.44 110.446 -174.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -119.96 153.65 35.64 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.543 -0.54 . . . . 61.23 109.543 177.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.9 tp -59.56 -42.11 87.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 N-CA-C 111.82 0.304 . . . . 75.45 111.82 -176.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -96.64 14.32 25.27 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.324 0.583 . . . . 74.21 110.252 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.65 47.33 1.04 Allowed Glycine 0 N--CA 1.441 -1.029 0 CA-C-N 115.152 -0.931 . . . . 43.14 110.883 178.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -70.06 140.6 52.81 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.181 0.515 . . . . 75.54 110.059 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -123.38 164.39 18.95 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.948 -0.569 . . . . 74.32 110.939 -175.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.691 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 12.4 p-10 -92.24 95.88 9.97 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.046 -0.979 . . . . 75.04 109.249 175.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.505 ' HE ' HD23 ' A' ' 30' ' ' LEU . 33.0 ptt180 -89.94 152.34 21.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.323 -0.853 . . . . 71.13 109.786 -175.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -92.43 113.44 25.72 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.188 -0.605 . . . . 74.11 110.328 -173.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.418 HG12 ' HB2' ' A' ' 54' ' ' TYR . 29.0 m -109.71 140.37 28.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.232 0.539 . . . . 72.43 110.674 -177.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.461 ' O ' HD12 ' A' ' 52' ' ' LEU . 40.1 t -133.54 123.38 46.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.043 -0.98 . . . . 44.21 111.086 -176.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.2 tt -108.8 119.03 38.33 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.361 -0.977 . . . . 64.01 108.361 173.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -160.48 157.37 27.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.99 -0.096 . . . . 64.32 110.899 -175.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.602 ' O ' ' HB3' ' A' ' 115' ' ' HIS . 88.9 m-20 65.94 -78.77 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.238 0.615 . . . . 74.41 110.979 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.629 ' ND2' ' HA ' ' A' ' 116' ' ' LYS . 51.9 t30 -174.73 33.4 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.223 -1.769 . . . . 74.21 106.223 171.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.09 150.31 46.75 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 113.811 -1.54 . . . . 55.24 110.295 -176.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.473 ' O ' ' HA ' ' A' ' 68' ' ' SER . 56.9 tp -116.65 131.16 57.02 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.669 -0.696 . . . . 70.43 109.148 176.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.0 m -137.39 159.45 41.89 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.745 -0.465 . . . . 61.5 109.745 -177.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.631 ' HB3' ' HZ3' ' A' ' 95' ' ' TRP . 1.5 p90 -143.83 154.96 43.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.315 0.579 . . . . 74.31 110.701 176.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 60' ' ' GLU . 11.6 m-85 -130.17 165.52 22.16 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.249 -0.887 . . . . 73.44 109.213 -176.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.813 ' HE2' ' HA ' ' A' ' 56' ' ' LYS . 8.5 mmpt? -59.2 -35.34 73.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.268 -0.424 . . . . 72.32 111.349 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.681 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 11.0 t -163.95 -161.86 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.448 -0.575 . . . . 71.03 109.448 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 43.4 tt0 -72.16 -29.63 64.2 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 122.713 0.405 . . . . 63.02 111.545 -170.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -77.14 52.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.735 0.778 . . . . 74.45 109.781 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.44 ' HB3' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -44.07 -38.82 3.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.456 -1.247 . . . . 72.31 114.304 -179.275 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.0 t -66.71 -30.46 70.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.82 0.343 . . . . 72.14 111.564 -177.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -85.7 -32.13 22.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.349 0.595 . . . . 73.13 110.184 178.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.681 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 29.1 m-85 -87.18 -28.93 22.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.462 -0.79 . . . . 70.24 112.073 -172.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.26 153.23 8.62 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.043 -0.598 . . . . 74.11 112.411 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.5 p -69.09 101.03 1.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.464 0.649 . . . . 70.13 110.066 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.509 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 5.2 mmm180 -71.84 -30.56 65.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.317 -0.856 . . . . 74.45 110.649 -174.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -150.4 150.37 22.38 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.305 -1.118 . . . . 62.31 110.305 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 12.2 p -164.73 125.14 2.0 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.847 0.324 . . . . 55.24 110.947 -176.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 34.2 pt -128.47 155.87 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.947 0.404 . . . . 72.11 111.281 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 57.4 m -89.89 126.38 35.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.741 -0.663 . . . . 61.31 110.488 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.92 HD13 HG12 ' A' ' 112' ' ' ILE . 92.6 mt -82.18 46.7 1.05 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.799 -0.637 . . . . 74.54 111.464 -176.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.2 t -109.77 -37.73 5.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.299 0.571 . . . . 45.53 110.096 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.508 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -123.72 18.66 9.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.601 -0.727 . . . . 75.33 109.545 -179.435 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.26 109.05 20.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.246 -0.888 . . . . 71.12 109.68 178.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t -82.98 135.47 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.0 0.429 . . . . 72.14 111.14 -175.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.664 HD11 HD12 ' A' ' 112' ' ' ILE . 41.7 mt -87.04 99.77 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.692 -0.686 . . . . 74.52 109.832 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.6 m -105.61 118.96 54.17 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.275 -0.42 . . . . 73.41 110.992 -177.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.2 129.41 31.48 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.343 2.029 . . . . 60.42 111.464 176.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.492 ' HB2' ' HG2' ' A' ' 85' ' ' ARG . 13.1 t60 -70.14 147.58 49.74 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.989 -0.374 . . . . 71.55 109.989 -176.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -70.24 -55.99 7.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.207 -0.452 . . . . 74.3 111.793 -173.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -90.01 -6.29 55.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.43 0.633 . . . . 75.33 110.803 -175.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.655 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . 4.8 m-20 -125.76 112.78 16.46 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.711 -0.677 . . . . 64.24 110.288 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -75.4 -41.14 56.87 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.199 0.523 . . . . 65.23 110.734 -176.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 69.4 m -82.74 -4.23 57.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.91 -0.586 . . . . 74.42 110.804 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.655 ' HB3' ' CB ' ' A' ' 82' ' ' ASP . 21.0 ttm180 -99.22 143.11 29.85 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.487 0.661 . . . . 75.1 110.697 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -134.59 123.37 23.72 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.663 -1.153 . . . . 75.34 110.213 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.431 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 45.8 m-20 -87.05 107.43 18.43 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.002 -0.999 . . . . 74.44 109.788 -178.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.881 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 34.0 mm -79.15 98.0 2.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.095 -0.706 . . . . 74.53 109.095 176.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.8 p -104.53 106.44 16.93 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-O 121.526 0.679 . . . . 71.03 112.177 -171.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.679 HG22 ' H ' ' A' ' 91' ' ' ASN . 5.2 p -104.29 -173.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 106.998 -1.482 . . . . 70.05 106.998 169.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.679 ' H ' HG22 ' A' ' 90' ' ' VAL . 4.5 m120 -53.05 103.04 0.06 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.393 0.542 . . . . 73.41 111.09 -178.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.6 t70 75.03 -25.32 0.2 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.903 0.881 . . . . 72.43 112.883 174.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.578 ' HB2' HG12 ' A' ' 90' ' ' VAL . 20.2 m -96.07 110.02 22.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.934 0.397 . . . . 73.02 111.026 -176.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 87' ' ' ASP . 45.3 t -106.64 122.63 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.138 0.494 . . . . 72.1 110.156 177.47 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.881 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 29.8 m95 -104.22 98.04 7.91 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.003 -0.544 . . . . 72.54 110.592 -178.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.614 ' CD1' ' HE2' ' A' ' 32' ' ' LYS . 1.8 m-85 -74.18 75.93 1.79 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.819 -0.628 . . . . 64.42 110.216 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.634 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 15.9 tp -89.1 166.93 13.54 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.429 -0.952 . . . . 60.01 108.429 -176.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.511 ' HA ' ' HA ' ' A' ' 85' ' ' ARG . 6.2 ttm180 -152.91 145.71 24.39 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.8 -0.76 . . . . 70.25 110.938 -176.052 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -79.1 128.84 33.79 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.971 -0.752 . . . . 75.31 108.971 172.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.58 ' CD ' ' H ' ' A' ' 100' ' ' GLN . 0.4 OUTLIER -53.07 -68.25 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 123.734 0.646 . . . . 74.04 112.54 -175.848 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.78 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 28.0 t70 -163.15 -58.51 0.01 OUTLIER Pre-proline 0 N--CA 1.465 0.314 0 N-CA-C 111.915 0.339 . . . . 60.21 111.915 179.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.78 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 12.6 Cg_exo -71.31 -44.1 1.26 Allowed 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 122.01 1.806 . . . . 51.22 111.551 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.43 ' HB3' ' CG ' ' A' ' 107' ' ' GLN . 0.8 OUTLIER -76.45 158.92 30.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.444 -0.798 . . . . 73.31 109.484 179.469 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.432 ' HB3' ' H ' ' A' ' 105' ' ' ARG . 52.5 m80 -139.58 -163.81 1.56 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.719 -0.219 . . . . 72.21 110.951 -177.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.432 ' H ' ' HB3' ' A' ' 104' ' ' HIS . 47.4 ttp180 -43.96 -43.8 6.8 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.958 0.903 . . . . 74.53 112.594 -176.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -55.56 -23.98 29.95 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.191 0.812 . . . . 64.54 113.191 -171.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.43 ' CG ' ' HB3' ' A' ' 103' ' ' ASP . 28.3 mm-40 -58.04 -47.43 83.12 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.288 0.566 . . . . 72.42 110.184 177.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -76.43 -41.17 48.52 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 115.271 -0.877 . . . . 73.32 109.56 -174.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.9 mm -57.7 -56.7 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-N 115.114 -0.948 . . . . 73.23 109.578 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -55.38 -50.76 68.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.947 -0.569 . . . . 75.1 111.084 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.09 -60.74 2.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.416 0.626 . . . . 55.13 111.521 -178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.92 HG12 HD13 ' A' ' 71' ' ' LEU . 20.0 mt -69.31 -44.92 80.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.091 -0.504 . . . . 70.23 111.187 -174.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.579 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 5.6 mm-40 -61.43 -29.75 70.14 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.779 0.323 . . . . 72.2 111.774 -178.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -85.09 -29.08 25.17 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.761 -0.376 . . . . 73.54 110.802 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.602 ' HB3' ' O ' ' A' ' 49' ' ' ASN . 8.0 m-70 -93.63 -23.24 18.34 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 114.801 1.408 . . . . 74.43 114.801 -174.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.629 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -67.97 157.9 34.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.135 0.493 . . . . 65.22 111.768 -174.805 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.1 p . . . . . 0 C--O 1.247 0.922 0 CA-C-N 115.505 -0.77 . . . . 62.14 110.326 -177.754 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 121.33 0.586 . . . . 64.21 111.364 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.69 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 1.7 pm0 -82.2 127.37 33.1 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 114.916 -1.038 . . . . 74.12 110.743 172.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.537 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 1.4 tpm_? -94.76 111.14 22.94 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.899 -1.046 . . . . 71.52 108.535 174.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.506 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 15.1 p -120.74 108.05 13.51 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 109.4 -0.593 . . . . 74.52 109.4 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.82 165.92 35.34 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 119.92 -1.133 . . . . 74.23 112.839 -176.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.597 HG13 ' HE3' ' A' ' 44' ' ' TRP . 1.3 m -91.77 133.47 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.517 0.675 . . . . 53.12 111.34 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.455 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 56.8 tp -109.67 118.16 35.81 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.812 -1.086 . . . . 62.33 109.296 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.7 p -81.36 107.09 13.85 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.212 0.53 . . . . 63.11 110.542 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -144.36 144.79 31.61 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.109 -0.701 . . . . 73.24 109.109 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 1.071 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 29.9 p90 -69.48 149.76 47.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.986 0.422 . . . . 74.42 111.437 -174.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.554 ' HB ' ' NE2' ' A' ' 41' ' ' GLN . 5.5 t -128.18 -22.38 3.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.783 -0.644 . . . . 52.33 110.59 178.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -115.83 -83.95 0.62 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.96 0.41 . . . . 62.3 110.296 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.418 ' O ' ' HB2' ' A' ' 33' ' ' TRP . 7.4 t80 -105.34 176.96 4.99 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.096 -0.705 . . . . 74.44 109.096 178.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 67.1 mt -51.47 -49.34 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 112.101 0.408 . . . . 75.3 112.101 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -94.45 12.68 26.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.287 0.565 . . . . 70.15 110.403 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -97.02 58.85 1.19 Allowed Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.931 -0.868 . . . . 53.53 110.931 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 1.071 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 61.5 p-90 -91.9 155.21 18.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.881 0.372 . . . . 74.33 110.958 -177.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.554 ' NE2' ' HB ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -127.96 169.42 14.01 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.318 -0.623 . . . . 74.43 109.318 176.094 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.535 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 10.8 p-10 -103.26 98.68 8.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.614 -0.721 . . . . 62.51 109.992 178.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.606 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 13.3 ptp180 -90.85 139.76 30.44 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.557 -0.747 . . . . 71.22 110.4 -176.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.597 ' HE3' HG13 ' A' ' 29' ' ' VAL . 69.6 t-105 -92.5 112.27 24.15 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 120.33 -0.548 . . . . 70.22 110.498 -175.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.456 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 21.4 m -106.3 143.03 17.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.995 0.426 . . . . 63.42 110.509 -176.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.567 ' O ' HD12 ' A' ' 52' ' ' LEU . 84.8 t -129.96 116.82 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.975 -1.011 . . . . 75.41 110.454 -178.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.69 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 3.5 tm? -117.81 113.13 21.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.061 -0.518 . . . . 61.31 110.156 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.636 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 13.6 tptm -174.82 154.21 1.87 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.169 -0.678 . . . . 62.1 109.169 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.4 t30 67.84 21.35 9.1 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.007 0.432 . . . . 54.13 110.444 176.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.409 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 2.4 t-20 69.27 14.29 8.57 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.146 -0.934 . . . . 53.34 110.237 -178.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.55 155.49 30.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.981 -0.554 . . . . 72.34 110.243 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 46' ' ' VAL . 60.5 tp -138.28 134.47 34.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.831 -0.622 . . . . 72.43 109.558 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.7 m -148.01 152.27 37.15 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.444 -0.344 . . . . 64.2 110.11 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.606 ' HD2' ' HB2' ' A' ' 43' ' ' ARG . 2.6 p90 -135.36 153.69 51.75 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.263 -0.575 . . . . 73.25 111.782 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -128.55 178.05 6.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.152 -0.931 . . . . 74.23 109.973 -175.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.719 ' HE2' HH21 ' A' ' 66' ' ' ARG . 89.1 mttt -53.06 -50.79 63.63 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.456 0.472 . . . . 71.42 110.59 175.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 t -167.17 -165.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.296 -0.631 . . . . 74.33 109.296 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.415 ' C ' ' H ' ' A' ' 60' ' ' GLU . 35.5 tt0 -62.34 -31.16 71.75 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 122.992 0.517 . . . . 71.45 112.388 -170.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.27 44.66 0.43 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.849 0.833 . . . . 54.05 110.088 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.579 ' HA ' ' HB2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -56.19 -20.64 18.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.688 -1.142 . . . . 54.11 113.041 -177.355 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 t -53.11 -38.96 63.07 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.429 0.456 . . . . 74.43 112.055 -174.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -114.71 6.11 15.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 70.55 111.142 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.579 ' HB2' ' HA ' ' A' ' 60' ' ' GLU . 15.1 m-30 -92.05 -37.28 12.89 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.924 -0.311 . . . . 74.05 111.431 -175.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.04 159.5 22.56 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.426 -0.892 . . . . 54.13 111.743 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.8 p -81.97 133.36 35.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.319 0.58 . . . . 73.51 111.285 -176.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.719 HH21 ' HE2' ' A' ' 56' ' ' LYS . 19.3 mmt85 -90.64 -29.23 17.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.507 -0.769 . . . . 73.43 110.482 178.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -157.43 147.55 15.86 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.614 -0.721 . . . . 51.41 111.466 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.8 p -148.03 132.44 17.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.613 0.244 . . . . 72.32 110.786 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.533 HD11 HD23 ' A' ' 52' ' ' LEU . 40.1 pt -137.76 167.21 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.049 0.452 . . . . 74.13 111.279 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 59.0 m -115.75 130.93 57.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.558 -0.746 . . . . 74.23 109.756 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.61 ' HB3' HG23 ' A' ' 112' ' ' ILE . 4.1 mm? -84.22 18.66 2.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.363 -0.381 . . . . 74.51 111.231 -175.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.2 m -84.43 -16.46 42.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.371 -0.377 . . . . 74.45 110.923 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.22 4.31 1.61 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.874 0.368 . . . . 74.42 111.586 178.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.641 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -74.2 139.56 44.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.318 -0.401 . . . . 65.43 111.144 178.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.7 t -97.15 115.22 36.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.199 -0.455 . . . . 72.41 110.612 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.434 HG22 ' HD2' ' A' ' 86' ' ' PHE . 41.8 mt -72.55 110.66 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 73.34 109.766 176.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.8 m -106.75 111.8 63.73 Favored Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 120.869 -0.332 . . . . 75.51 111.274 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.3 113.12 2.12 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.133 1.889 . . . . 74.31 109.814 171.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.927 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 6.9 t60 -63.08 137.52 58.27 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.681 -0.407 . . . . 64.32 109.949 -175.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -63.64 -45.08 91.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.139 -0.482 . . . . 74.42 111.384 -169.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -81.81 -18.45 43.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.074 -0.512 . . . . 73.4 111.08 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.927 ' HB2' ' HB3' ' A' ' 79' ' ' HIS . 3.1 m-20 -114.2 115.12 26.96 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.783 0.661 . . . . 64.12 112.783 -166.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -80.84 -23.76 38.9 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.583 -0.735 . . . . 64.51 110.264 174.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.814 ' SG ' ' HA ' ' A' ' 102' ' ' PRO . 71.5 m -96.49 -6.25 37.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.036 -0.529 . . . . 61.53 111.084 -178.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.841 ' HD2' ' HB3' ' A' ' 96' ' ' TYR . 13.0 ttp180 -115.8 134.89 54.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.84 0.829 . . . . 74.02 112.275 -174.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.434 ' HD2' HG22 ' A' ' 76' ' ' ILE . 30.1 m-85 -129.94 116.69 18.99 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.157 -1.383 . . . . 74.53 108.831 176.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.553 ' HA ' ' O ' ' A' ' 95' ' ' TRP . 2.8 p-10 -91.71 113.32 25.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.034 0.921 . . . . 65.43 111.006 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.573 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 31.0 mm -83.17 102.33 9.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 114.533 -1.212 . . . . 74.53 109.878 -179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.0 t -100.21 117.19 33.92 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.99 0.424 . . . . 71.43 110.728 -176.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.641 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 11.0 p -150.82 130.1 3.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.886 -0.597 . . . . 65.32 110.015 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.8 m120 56.72 31.02 18.61 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.387 0.514 . . . . 63.22 112.387 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.4 t70 72.19 19.36 4.51 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.858 0.837 . . . . 71.41 111.194 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.4 m -110.56 101.01 9.72 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.067 -0.716 . . . . 55.43 109.067 171.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.437 ' CG1' ' HB2' ' A' ' 87' ' ' ASP . 38.7 t -96.47 116.38 38.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.131 -0.486 . . . . 63.21 110.355 -178.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.585 ' CZ3' ' HB3' ' A' ' 54' ' ' TYR . 28.1 m95 -104.57 98.66 8.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.133 -0.485 . . . . 74.25 111.036 -175.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.841 ' HB3' ' HD2' ' A' ' 85' ' ' ARG . 57.1 m-85 -75.82 78.25 2.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.29 -0.414 . . . . 72.34 110.965 -178.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 85' ' ' ARG . 86.9 mt -80.14 145.04 32.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.304 -0.258 . . . . 73.35 110.304 -177.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.722 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 5.7 mtm180 -131.17 145.56 52.0 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.306 -0.257 . . . . 65.13 110.306 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.04 172.7 12.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.03 -0.532 . . . . 41.13 110.646 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -86.59 -5.98 59.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.082 0.468 . . . . 74.1 111.095 -176.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.871 ' HB2' ' HD2' ' A' ' 102' ' ' PRO . 6.2 p-10 -154.91 176.62 2.41 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.07 -0.514 . . . . 74.44 109.78 -175.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.871 ' HD2' ' HB2' ' A' ' 101' ' ' ASP . 39.6 Cg_endo -68.07 21.4 0.13 Allowed 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.702 2.268 . . . . 64.11 114.038 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.532 ' CG ' ' H ' ' A' ' 104' ' ' HIS . 47.1 t0 -165.75 -164.78 0.75 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.901 -0.778 . . . . 61.44 108.901 176.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.59 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 68.7 m80 68.74 25.0 6.47 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 123.011 0.524 . . . . 64.2 110.541 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -19.72 62.48 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.564 0.697 . . . . 75.55 109.693 175.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -54.16 -17.1 2.46 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 114.935 -1.029 . . . . 75.33 112.212 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 87.4 mm-40 -53.25 -45.42 68.79 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 110.247 -0.279 . . . . 73.33 110.247 177.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.513 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 14.1 m95 -70.07 -41.81 73.63 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.501 -0.555 . . . . 73.34 109.501 -175.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.2 mm -60.74 -60.99 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.112 -0.949 . . . . 70.24 110.245 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.81 -42.25 88.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.922 -0.581 . . . . 63.31 111.361 -176.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.65 -57.68 11.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.063 0.458 . . . . 71.23 110.878 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.61 HG23 ' HB3' ' A' ' 71' ' ' LEU . 56.9 mt -66.42 -44.09 90.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.34 -0.391 . . . . 75.02 110.299 -175.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.06 -42.14 76.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.026 0.441 . . . . 71.01 111.803 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -83.43 -21.67 32.89 Favored 'General case' 0 C--N 1.314 -0.961 0 C-N-CA 120.855 -0.338 . . . . 71.22 111.636 -177.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 77.8 m-70 -94.36 -27.74 15.91 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.381 0.882 . . . . 72.34 113.381 -179.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.49 151.03 33.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.235 0.54 . . . . 73.42 111.224 -175.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 35.8 p . . . . . 0 C--O 1.249 1.075 0 CA-C-N 115.326 -0.852 . . . . 64.44 110.339 -176.09 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.405 HG11 ' HB3' ' A' ' 27' ' ' CYS . 46.9 t . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 109.748 -0.464 . . . . 61.41 109.748 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.37 -58.34 3.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.197 0.522 . . . . 75.41 109.785 -176.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.691 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 8.6 tpm_? -136.46 120.82 18.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.007 -0.542 . . . . 73.13 110.861 174.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.494 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 7.2 p -126.38 120.73 30.59 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.558 -0.746 . . . . 61.23 109.107 170.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.49 171.06 41.98 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.488 -0.863 . . . . 41.33 111.959 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.02 152.64 3.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.32 0.581 . . . . 75.14 111.374 178.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.662 HD11 ' O ' ' A' ' 96' ' ' TYR . 33.7 tp -122.51 109.94 14.97 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 114.934 -1.03 . . . . 71.32 109.658 178.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 m -80.74 108.91 14.79 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.756 -0.656 . . . . 75.22 110.191 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.503 ' HE3' ' CZ3' ' A' ' 33' ' ' TRP . 34.1 tptt -170.51 170.42 6.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.564 -0.532 . . . . 71.22 109.564 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.59 ' HB3' ' HD1' ' A' ' 40' ' ' TRP . 7.9 p90 -68.87 138.4 54.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.124 0.488 . . . . 72.34 111.16 -177.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 t -121.82 -15.65 7.83 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.279 -1.008 . . . . 73.44 108.279 169.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.814 ' HB2' ' HB2' ' A' ' 38' ' ' HIS . 15.7 m120 -149.85 -167.09 2.73 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.488 -1.233 . . . . 74.43 108.115 177.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -115.26 -58.15 2.17 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.871 -0.331 . . . . 72.53 110.671 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 51.6 mt -70.0 -27.0 31.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.44 0.638 . . . . 72.21 109.746 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.814 ' HB2' ' HB2' ' A' ' 35' ' ' ASN . 55.7 m-70 -76.34 -26.24 55.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.564 -0.744 . . . . 64.44 109.723 176.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.28 -157.57 30.58 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.729 -0.669 . . . . 61.33 113.019 177.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.59 ' HD1' ' HB3' ' A' ' 33' ' ' TRP . 2.7 m-90 -89.12 124.46 34.34 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.384 -0.598 . . . . 74.12 109.384 178.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -107.88 156.71 18.88 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.858 0.361 . . . . 75.13 110.804 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -95.21 97.26 9.76 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.491 -0.929 . . . . 61.44 108.491 171.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.797 ' HD2' ' CE2' ' A' ' 54' ' ' TYR . 20.3 ptt180 -101.45 151.03 22.43 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.01 -0.541 . . . . 74.41 110.384 -174.124 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.783 ' HB2' ' HA ' ' A' ' 58' ' ' GLU . 63.2 t-105 -85.42 130.89 34.48 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.483 -0.487 . . . . 75.4 110.489 -169.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.675 HG22 ' HB2' ' A' ' 54' ' ' TYR . 60.8 t -127.81 130.64 70.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.155 0.503 . . . . 75.21 110.919 -177.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.463 ' O ' HD12 ' A' ' 52' ' ' LEU . 25.4 t -126.06 128.85 72.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.399 -0.819 . . . . 73.24 111.169 -178.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.8 tt -112.14 123.36 50.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.893 -0.78 . . . . 55.34 108.893 175.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -166.3 140.99 4.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.7 -0.227 . . . . 53.44 110.893 -176.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 58.92 29.11 18.48 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.24 -0.436 . . . . 74.44 111.833 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.708 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 3.0 t-20 72.29 4.06 4.88 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.784 -0.644 . . . . 70.41 110.65 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -107.8 140.23 41.19 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.961 -0.563 . . . . 53.35 109.619 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.722 ' HB2' HD21 ' A' ' 71' ' ' LEU . 29.5 tp -111.81 132.71 54.5 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.882 -0.785 . . . . 73.41 108.882 177.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.564 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 30.3 m -140.7 136.13 32.29 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.841 -0.429 . . . . 63.23 109.841 -177.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.797 ' CE2' ' HD2' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -130.38 157.53 42.34 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.438 -0.505 . . . . 75.3 110.901 -177.777 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.514 ' CD1' ' HD1' ' A' ' 44' ' ' TRP . 3.7 m-85 -129.48 154.76 46.68 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.325 -0.991 . . . . 73.53 108.325 -174.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -36.47 55.27 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.451 0.538 . . . . 74.34 112.451 -174.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.478 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 33.4 t -146.92 166.62 26.22 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.406 -0.59 . . . . 55.1 109.406 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.783 ' HA ' ' HB2' ' A' ' 44' ' ' TRP . 34.7 tt0 -58.86 -25.29 63.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.134 0.492 . . . . 51.05 111.363 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.711 ' HB2' ' HE2' ' A' ' 63' ' ' TYR . 2.2 m-20 -58.07 -26.71 62.88 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.777 -0.647 . . . . 63.41 110.673 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 48.77 -53.48 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 116.671 2.101 . . . . 74.22 116.671 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.49 HG23 ' H ' ' A' ' 62' ' ' GLU . 3.8 t -40.79 -62.29 0.82 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.145 1.165 . . . . 73.23 114.145 -170.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.49 ' H ' HG23 ' A' ' 61' ' ' THR . 9.2 pt-20 -90.54 5.39 47.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.071 0.462 . . . . 64.32 111.522 -173.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.711 ' HE2' ' HB2' ' A' ' 59' ' ' ASP . 61.3 m-85 -98.67 -28.85 13.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.283 -0.417 . . . . 63.52 110.497 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.25 165.23 7.82 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.947 -0.644 . . . . 62.12 112.915 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 p -73.56 91.33 1.82 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.794 0.807 . . . . 55.42 110.798 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -69.02 -46.09 68.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.85 -1.068 . . . . 75.11 110.082 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.564 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -112.0 141.22 16.59 Favored Glycine 0 N--CA 1.439 -1.134 0 CA-C-N 115.124 -0.943 . . . . 74.51 111.09 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 2.8 p -152.13 114.23 4.46 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.893 0.378 . . . . 75.21 110.483 -179.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.559 ' HB ' HG11 ' A' ' 90' ' ' VAL . 36.6 pt -134.33 165.25 32.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.074 -0.512 . . . . 63.23 110.815 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.8 p -108.97 130.69 55.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.567 -0.742 . . . . 62.35 109.973 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.722 HD21 ' HB2' ' A' ' 52' ' ' LEU . 3.9 mm? -83.86 9.44 12.07 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.156 -0.474 . . . . 53.34 110.512 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -62.41 -43.59 98.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.782 -0.645 . . . . 71.2 111.319 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.49 22.08 4.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.216 0.531 . . . . 51.24 110.577 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.455 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -74.76 132.12 41.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.719 -0.673 . . . . 41.41 110.268 174.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.0 t -90.31 124.04 42.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.548 -0.297 . . . . 74.13 110.647 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 53.7 mt -86.0 95.82 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.189 -0.459 . . . . 74.15 110.242 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.736 ' HB ' ' HB2' ' A' ' 87' ' ' ASP . 14.7 m -89.35 120.74 69.73 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.148 -0.478 . . . . 74.42 110.645 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.476 ' HA ' ' CD1' ' A' ' 86' ' ' PHE . 43.9 Cg_endo -70.32 118.91 5.96 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 121.807 1.672 . . . . 73.54 111.154 174.068 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.962 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 6.1 t60 -63.34 144.62 56.8 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 120.021 -0.672 . . . . 74.5 110.139 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.76 -69.88 0.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.491 -0.777 . . . . 64.34 111.763 -170.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -83.35 -16.27 46.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.108 0.48 . . . . 74.2 110.757 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.962 ' HB2' ' HB3' ' A' ' 79' ' ' HIS . 6.0 m-20 -83.78 149.46 26.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.278 0.561 . . . . 65.34 111.592 -176.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -118.39 -23.18 7.31 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.186 -0.916 . . . . 65.34 109.584 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.5 m -100.85 -8.63 22.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.801 -0.636 . . . . 73.31 110.703 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.479 ' HB3' ' CB ' ' A' ' 82' ' ' ASP . 37.4 ttm180 -103.31 149.3 24.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.364 0.602 . . . . 73.14 111.82 -174.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.488 ' CE2' ' HB3' ' A' ' 105' ' ' ARG . 0.4 OUTLIER -142.4 123.92 14.9 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.832 -1.077 . . . . 73.45 108.964 178.257 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.736 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 1.9 m-20 -88.55 101.48 13.98 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.904 -0.589 . . . . 61.23 110.198 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.737 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 35.4 mm -82.3 100.93 6.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.974 -0.557 . . . . 70.45 110.131 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.0 p -105.75 112.5 25.59 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.323 0.583 . . . . 74.02 111.741 -173.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.559 HG11 ' HB ' ' A' ' 69' ' ' ILE . 13.7 p -143.64 129.63 16.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.88 -0.6 . . . . 74.21 110.403 178.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.503 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 29.6 m120 53.96 40.2 31.33 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.455 -0.339 . . . . 74.24 111.262 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.503 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 21.3 t70 75.88 -11.04 1.18 Allowed 'General case' 0 C--N 1.319 -0.748 0 O-C-N 123.676 0.61 . . . . 71.34 111.958 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.3 m -85.21 108.89 17.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.964 -0.384 . . . . 73.33 109.964 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 40.6 t -102.81 120.17 52.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.095 0.474 . . . . 73.31 110.476 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.737 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 25.2 m95 -104.63 110.02 22.16 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.83 -0.623 . . . . 70.44 110.301 -176.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.662 ' O ' HD11 ' A' ' 30' ' ' LEU . 7.1 m-85 -81.28 71.75 8.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.083 -0.508 . . . . 71.13 110.297 -177.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.653 HD13 HD13 ' A' ' 30' ' ' LEU . 2.9 mm? -77.93 155.1 31.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.034 0.445 . . . . 53.43 111.475 -174.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -134.52 146.95 50.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.007 -0.542 . . . . 61.21 110.005 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.62 163.21 12.75 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.228 -0.442 . . . . 63.34 109.916 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.72 -9.13 59.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.346 0.593 . . . . 75.01 109.541 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.551 ' HB3' ' HB2' ' A' ' 104' ' ' HIS . 20.0 t70 -138.29 136.48 19.34 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.031 -0.986 . . . . 74.23 109.759 -175.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -24.66 29.29 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 54.04 113.218 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -95.11 -35.49 11.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.81 0.338 . . . . 74.44 111.113 -176.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.551 ' HB2' ' HB3' ' A' ' 101' ' ' ASP . 58.0 m80 -76.78 77.35 3.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.433 0.635 . . . . 74.1 110.782 -178.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.488 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . 14.0 mmm180 -83.24 -21.94 33.22 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 107.499 -1.297 . . . . 70.33 107.499 173.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -68.7 -6.4 26.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 113.247 -1.797 . . . . 53.51 112.417 -168.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -49.86 -54.92 16.47 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 108.385 -0.969 . . . . 73.12 108.385 168.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.691 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 22.2 m95 -76.33 -45.16 33.52 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.43 -1.259 . . . . 75.3 109.544 -172.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 27.9 mm -56.09 -56.24 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.445 -0.798 . . . . 62.14 110.285 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.53 -52.09 66.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.998 -0.546 . . . . 70.25 111.068 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.77 -54.91 31.51 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.483 0.659 . . . . 71.34 111.384 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.706 HG23 ' HB3' ' A' ' 71' ' ' LEU . 60.3 mt -66.92 -51.83 50.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.924 -0.58 . . . . 73.15 111.447 -175.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.599 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 75.1 mm-40 -59.03 -30.3 67.92 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.617 0.246 . . . . 73.52 111.543 -176.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -81.37 -29.93 33.88 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.75 -0.38 . . . . 70.55 111.438 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.708 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 22.6 m-70 -94.6 -16.06 23.53 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 115.477 1.658 . . . . 74.22 115.477 -174.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.684 ' HG3' ' O ' ' A' ' 112' ' ' ILE . 30.0 mtmt -44.05 126.11 4.75 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.341 0.867 . . . . 61.3 113.341 -171.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.232 -0.895 . . . . 73.02 110.295 -179.76 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.623 0.249 . . . . 74.23 110.425 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.856 ' HG2' ' HA ' ' A' ' 48' ' ' LYS . 4.0 mm-40 -95.55 -55.08 3.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.071 0.462 . . . . 75.23 110.111 -177.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.572 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . 2.3 tpt180 -121.94 137.6 54.73 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.86 -0.609 . . . . 72.14 110.075 178.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.8 p -147.18 109.2 4.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.82 -0.437 . . . . 72.53 109.82 174.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -169.42 172.59 43.57 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.413 -0.898 . . . . 62.11 112.305 -178.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.497 HG13 ' HE3' ' A' ' 44' ' ' TRP . 1.1 m -89.74 150.41 3.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.461 0.648 . . . . 63.44 112.011 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.6 tp -125.48 123.06 38.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.016 -0.993 . . . . 64.31 109.514 176.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.8 m -87.64 105.25 17.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.02 0.438 . . . . 62.33 110.564 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -131.71 125.24 31.55 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.955 -0.566 . . . . 62.44 109.6 178.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 1.036 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 7.8 p90 -69.99 147.79 49.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.843 0.354 . . . . 72.41 110.309 -178.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -144.14 -169.87 3.22 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.297 -0.631 . . . . 62.51 109.297 -176.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -101.7 91.23 4.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.517 0.675 . . . . 75.35 109.903 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -169.2 147.88 3.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.673 -1.149 . . . . 64.41 108.304 -173.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.1 mt -70.45 82.68 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.769 0.795 . . . . 74.11 110.473 178.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -179.12 -20.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.259 -1.337 . . . . 55.42 108.542 178.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.66 -96.46 2.21 Favored Glycine 0 C--N 1.334 0.459 0 CA-C-N 115.561 -0.745 . . . . 54.44 111.535 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 1.036 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 28.3 p90 -86.8 154.63 20.76 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.377 -0.601 . . . . 75.32 109.377 176.135 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.403 HE21 ' HB2' ' A' ' 41' ' ' GLN . 2.8 pt20 -123.59 146.41 48.18 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.415 -0.587 . . . . 52.42 109.415 172.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -103.54 110.82 23.01 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.565 -0.743 . . . . 72.12 109.542 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -108.41 146.93 32.33 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.255 -0.884 . . . . 55.11 109.865 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.497 ' HE3' HG13 ' A' ' 29' ' ' VAL . 69.5 t-105 -93.98 113.1 25.03 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.681 -0.407 . . . . 74.45 109.983 -176.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.2 m -105.08 140.5 22.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.461 0.648 . . . . 74.22 110.654 -176.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.549 HG12 ' HD2' ' A' ' 48' ' ' LYS . 25.2 t -132.37 117.87 33.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.976 -1.011 . . . . 62.34 110.576 -178.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.572 ' HB3' ' HB3' ' A' ' 26' ' ' ARG . 3.2 tm? -103.31 127.36 50.67 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.297 -1.001 . . . . 54.23 108.297 177.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.856 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -171.06 162.02 6.99 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 109.81 -0.441 . . . . 60.41 109.81 177.038 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 53.15 -148.23 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.121 -1.437 . . . . 74.12 107.121 -168.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -98.68 34.04 2.14 Favored 'General case' 0 C--N 1.307 -1.251 0 C-N-CA 119.651 -0.82 . . . . 41.22 109.135 171.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.83 154.39 49.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.468 0.651 . . . . 71.43 111.855 -175.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.447 HD13 HD23 ' A' ' 47' ' ' LEU . 61.9 tp -127.05 132.99 50.56 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.554 -0.748 . . . . 74.12 109.278 176.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 5.0 m -131.64 163.35 28.3 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.178 -0.465 . . . . 71.45 109.904 -176.38 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.44 ' HD1' ' CH2' ' A' ' 95' ' ' TRP . 2.7 p90 -147.65 155.9 42.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.034 0.445 . . . . 74.44 110.213 172.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -131.9 168.96 16.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.407 -0.815 . . . . 75.15 108.935 -174.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -62.87 -41.84 99.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.491 -0.322 . . . . 73.41 111.188 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.583 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 23.8 m -152.51 178.15 9.88 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.919 -0.4 . . . . 43.24 109.919 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.98 -27.85 69.41 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.432 0.53 . . . . 74.22 112.432 -173.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.625 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 30.1 t70 -53.02 -34.97 58.8 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 110.46 -0.2 . . . . 75.24 110.46 178.363 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? 50.48 -42.95 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 116.933 2.197 . . . . 73.53 116.933 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 t -54.96 -52.12 64.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.855 0.752 . . . . 75.13 112.616 -173.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.483 ' HG2' ' OD2' ' A' ' 59' ' ' ASP . 7.2 pt-20 -90.3 2.36 55.57 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.429 -0.508 . . . . 72.43 111.171 -177.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.625 ' CE2' ' HB3' ' A' ' 59' ' ' ASP . 38.4 m-85 -99.22 -30.68 12.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.551 -0.295 . . . . 63.54 110.697 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.18 155.31 3.96 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.887 -0.597 . . . . 63.34 112.486 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.6 p -67.69 102.83 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.503 0.668 . . . . 71.23 110.019 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.429 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 13.8 mmt180 -77.8 -19.48 54.94 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.177 -0.92 . . . . 74.13 110.769 -175.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -157.81 129.62 2.38 Favored Glycine 0 N--CA 1.438 -1.169 0 N-CA-C 110.175 -1.17 . . . . 62.32 110.175 175.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 8.3 t -141.6 124.82 16.42 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.679 -0.489 . . . . 73.21 109.679 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.625 ' HB ' HG11 ' A' ' 90' ' ' VAL . 34.2 pt -127.12 153.89 36.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.115 -0.493 . . . . 44.23 111.309 -176.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 63.4 m -98.47 123.44 42.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.952 -0.567 . . . . 75.42 110.039 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.564 ' HB3' HG23 ' A' ' 112' ' ' ILE . 4.2 mm? -75.53 0.57 16.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.113 -0.494 . . . . 74.14 111.937 -175.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.6 m -68.44 -37.57 80.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.889 0.376 . . . . 73.13 110.561 178.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.88 14.74 14.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 73.51 111.135 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' ' 71' ' ' LEU . . . -90.25 125.57 35.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.97 0.414 . . . . 61.33 110.728 -178.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.6 t -89.59 116.7 31.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.922 -0.581 . . . . 72.21 110.438 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 54.3 mt -82.92 101.57 7.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.806 -0.634 . . . . 74.33 109.952 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.1 m -103.18 104.14 38.78 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 116.323 -0.398 . . . . 54.03 110.309 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.67 141.61 73.39 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.314 2.009 . . . . 73.45 111.836 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.404 ' CD2' ' HD2' ' A' ' 85' ' ' ARG . 30.0 t-80 -77.7 145.74 36.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.741 -0.837 . . . . 73.12 108.741 176.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -83.25 -54.3 5.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.732 0.301 . . . . 71.11 110.669 -174.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -60.83 -40.86 94.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.072 0.463 . . . . 44.55 110.426 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -106.74 106.71 17.37 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 116.04 -0.527 . . . . 74.41 110.249 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -70.43 -22.11 62.75 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.044 0.449 . . . . 74.11 110.33 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 63.8 m -87.18 -12.15 47.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.889 -0.596 . . . . 63.23 111.227 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.404 ' HD2' ' CD2' ' A' ' 79' ' ' HIS . 35.5 ttm-85 -95.26 138.17 33.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 71.24 110.493 -176.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -135.44 119.27 17.28 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.921 -0.581 . . . . 61.54 110.292 -176.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -89.69 118.41 29.28 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.598 -0.728 . . . . 64.45 109.775 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.862 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 26.3 mm -102.84 105.47 18.25 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 115.912 -0.585 . . . . 54.13 110.448 -176.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.4 p -110.03 126.3 53.83 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.334 0.588 . . . . 74.11 111.058 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.625 HG11 ' HB ' ' A' ' 69' ' ' ILE . 4.9 p -147.48 116.39 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.744 -0.662 . . . . 72.43 110.697 -176.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.8 m120 63.61 -75.95 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.681 -0.691 . . . . 61.12 110.912 -175.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -136.88 -28.29 0.97 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.936 -1.029 . . . . 72.25 109.881 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.0 m -75.48 134.98 40.7 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.542 -0.754 . . . . 42.11 110.896 -172.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 77.3 t -123.72 117.2 50.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.583 -0.735 . . . . 64.24 109.793 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.862 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 17.6 m95 -109.93 101.91 10.71 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.962 -0.563 . . . . 72.44 110.685 -175.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -76.07 80.02 2.91 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.268 -0.641 . . . . 74.34 109.268 175.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 27.3 tp -93.67 169.48 10.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.163 -0.471 . . . . 54.02 109.745 -173.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -153.0 143.59 22.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.025 0.441 . . . . 55.25 110.479 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.09 170.38 16.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.739 -0.664 . . . . 61.51 110.127 175.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -100.86 -23.69 14.52 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.74 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -144.37 137.86 14.24 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.941 -0.572 . . . . 75.45 109.907 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.17 -37.14 43.23 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 123.025 2.483 . . . . 64.43 112.876 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -66.34 -34.87 78.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.615 -0.266 . . . . 73.53 110.994 -176.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -122.82 68.48 0.97 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.773 0.797 . . . . 63.25 111.542 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -81.66 -18.16 45.51 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 107.797 -1.186 . . . . 62.54 107.797 168.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -56.83 -3.15 0.1 Allowed 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 113.253 -1.794 . . . . 75.41 112.097 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -45.48 -52.68 9.92 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.662 -0.866 . . . . 73.14 108.662 167.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.544 ' CH2' ' HD3' ' A' ' 26' ' ' ARG . 11.4 m95 -71.48 -50.42 31.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.045 -0.98 . . . . 72.24 109.949 -176.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.7 mm -57.0 -58.05 7.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.571 -0.741 . . . . 61.43 110.912 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -63.44 -44.88 93.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.803 -0.635 . . . . 64.51 111.428 -176.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.74 -56.29 24.08 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.213 0.53 . . . . 35.41 110.645 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.564 HG23 ' HB3' ' A' ' 71' ' ' LEU . 45.5 mt -65.69 -45.77 91.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.997 -0.547 . . . . 52.21 111.16 -175.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.509 ' HA ' ' OE1' ' A' ' 113' ' ' GLU . 3.9 mm-40 -58.78 -43.07 90.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.82 0.343 . . . . 62.11 111.653 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -78.03 -15.23 59.1 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 120.47 -0.492 . . . . 63.42 111.561 -178.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.439 ' HE2' ' CD ' ' A' ' 25' ' ' GLU . 25.0 m-70 -104.9 -14.7 15.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 114.182 1.178 . . . . 75.22 114.182 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.467 ' HD2' ' C ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -72.58 156.61 38.81 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.061 0.457 . . . . 74.34 110.952 -175.55 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 56.6 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.665 -0.683 . . . . 63.25 110.434 -176.223 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.703 HG12 ' HD2' ' A' ' 48' ' ' LYS . 22.3 m . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 110.392 -0.225 . . . . 72.51 110.392 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -85.76 -46.44 10.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.377 0.608 . . . . 61.21 109.952 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.415 ' HA ' ' HE ' ' A' ' 26' ' ' ARG . 3.1 tpm_? -140.16 122.24 15.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.378 -0.828 . . . . 73.13 110.025 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.9 p -135.15 105.29 6.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.976 -0.556 . . . . 75.03 109.641 174.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.3 177.5 39.25 Favored Glycine 0 CA--C 1.506 -0.519 0 C-N-CA 120.122 -1.037 . . . . 75.11 111.972 -176.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.478 ' HA ' ' O ' ' A' ' 43' ' ' ARG . 27.8 m -91.1 143.24 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-O 121.735 0.778 . . . . 72.32 111.657 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.59 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 60.3 tp -112.64 114.81 27.6 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.802 -1.09 . . . . 71.14 109.029 174.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.52 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 49.0 p -84.2 108.13 16.91 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.025 -0.534 . . . . 75.35 109.669 174.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.432 ' NZ ' ' HB2' ' A' ' 96' ' ' TYR . 10.8 tptm -144.72 149.29 35.33 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.878 -0.329 . . . . 74.45 110.316 177.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.56 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 20.1 p90 -68.5 156.83 37.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.089 -0.505 . . . . 75.01 112.104 -173.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.8 t 179.73 -36.57 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.407 -0.815 . . . . 75.15 110.474 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.541 ' OD1' HG13 ' A' ' 37' ' ' ILE . 35.0 t-20 -130.35 129.01 42.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.905 -0.776 . . . . 73.14 108.905 178.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -85.42 -7.0 59.17 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.765 0.654 . . . . 74.44 112.765 -166.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.541 HG13 ' OD1' ' A' ' 35' ' ' ASN . 2.4 pp -74.32 1.1 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 121.797 0.808 . . . . 74.44 110.403 174.224 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -141.23 -33.02 0.53 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.797 -1.092 . . . . 72.35 109.039 174.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.553 ' O ' ' HA ' ' A' ' 33' ' ' TRP . . . 93.39 -83.82 1.07 Allowed Glycine 0 N--CA 1.441 -0.988 0 N-CA-C 109.968 -1.253 . . . . 72.44 109.968 -174.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.56 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 8.8 m95 -101.99 123.64 46.24 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.32 -0.622 . . . . 64.41 109.32 177.306 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.52 ' O ' ' HA ' ' A' ' 31' ' ' SER . 1.1 pt20 -97.17 154.95 17.06 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.555 -0.535 . . . . 73.24 109.555 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -97.93 124.4 42.35 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.469 0.652 . . . . 72.2 109.628 174.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' A' ' 30' ' ' LEU . 15.5 ptp180 -124.21 153.83 41.04 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.266 -0.879 . . . . 62.11 109.268 -178.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -89.82 130.3 36.08 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.097 -0.641 . . . . 72.41 109.421 -177.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.588 HG22 ' HB2' ' A' ' 54' ' ' TYR . 54.2 t -127.53 129.25 70.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 120.959 0.409 . . . . 75.33 110.904 -177.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.465 ' O ' HD12 ' A' ' 52' ' ' LEU . 46.4 t -124.39 126.8 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.371 -0.831 . . . . 44.13 111.099 -178.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.7 tt -114.03 118.44 34.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.682 -0.859 . . . . 65.23 108.682 174.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.703 ' HD2' HG12 ' A' ' 24' ' ' VAL . 73.4 tttt -168.53 149.3 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.631 -0.259 . . . . 64.15 110.667 -174.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 58.34 30.35 19.45 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.163 0.431 . . . . 74.3 112.163 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.616 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 3.4 t-20 66.29 15.8 10.22 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.696 0.76 . . . . 63.45 110.443 -178.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.44 152.85 37.4 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.64 -0.709 . . . . 73.45 109.716 177.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 46' ' ' VAL . 31.8 tp -123.29 131.08 53.54 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 108.812 -0.81 . . . . 34.22 108.812 175.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -142.89 134.81 26.95 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 109.615 -0.513 . . . . 75.42 109.615 -175.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.588 ' HB2' HG22 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -129.36 150.4 50.73 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.398 0.618 . . . . 73.53 110.805 -177.677 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -135.39 -174.02 3.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.1 -0.955 . . . . 64.25 109.543 -173.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -73.76 -51.89 15.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.93 -0.577 . . . . 73.34 110.098 173.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.67 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 16.4 m -142.85 -178.06 5.63 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.495 -0.187 . . . . 61.32 110.495 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -70.37 -25.82 63.43 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 122.469 0.308 . . . . 74.21 111.409 -175.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -75.61 49.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.455 0.645 . . . . 75.44 110.006 173.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.552 ' HA ' ' HB2' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -54.57 -8.52 0.24 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 114.47 1.285 . . . . 71.15 114.47 -175.392 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.0 t -67.66 -31.44 71.44 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.464 -0.494 . . . . 75.4 110.638 177.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -101.93 -1.62 31.57 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.056 0.455 . . . . 64.11 110.321 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.67 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 41.8 m-85 -110.05 -10.03 14.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.994 -0.548 . . . . 65.13 110.568 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.84 -102.89 1.19 Allowed Glycine 0 C--N 1.335 0.499 0 CA-C-N 115.639 -0.71 . . . . 60.24 112.283 170.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 51.0 t -169.84 117.81 0.59 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.722 -0.844 . . . . 63.24 108.722 175.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.432 ' HA ' ' HD3' ' A' ' 66' ' ' ARG . 25.0 mmt85 -90.25 -15.2 31.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.059 -0.519 . . . . 75.15 110.336 -175.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.89 132.1 2.12 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.447 -0.797 . . . . 51.43 111.354 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 p -142.44 120.25 11.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.868 0.366 . . . . 73.34 110.885 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.567 ' HB ' HG11 ' A' ' 90' ' ' VAL . 24.8 pt -128.31 152.99 37.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.177 -0.465 . . . . 63.02 111.536 -178.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 85.1 m -98.95 122.25 41.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.768 -0.651 . . . . 62.05 109.941 175.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.995 HD23 HG12 ' A' ' 112' ' ' ILE . 5.1 mp -74.75 1.61 12.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.766 -0.652 . . . . 64.12 111.639 -174.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.8 t -79.89 -36.17 36.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.234 -0.439 . . . . 74.22 110.247 176.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.489 ' HB2' HG23 ' A' ' 90' ' ' VAL . 2.0 mmmm -92.51 -20.17 21.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.207 0.527 . . . . 64.04 109.982 -179.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.761 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -70.56 138.64 51.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.47 -0.786 . . . . 45.42 112.194 -172.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.4 t -97.66 132.33 42.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.521 -0.763 . . . . 53.3 109.333 175.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.458 HG22 ' HD3' ' A' ' 78' ' ' PRO . 21.4 mt -85.84 121.06 36.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.248 0.547 . . . . 53.24 111.242 -178.025 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.855 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 51.0 m -116.52 95.94 46.94 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.524 -0.762 . . . . 74.52 110.336 175.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.458 ' HD3' HG22 ' A' ' 76' ' ' ILE . 50.7 Cg_endo -70.66 125.98 12.24 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 121.776 1.651 . . . . 72.23 110.516 175.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.554 ' HB2' ' HG2' ' A' ' 85' ' ' ARG . 20.0 t-80 -62.47 140.72 58.6 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.141 -0.624 . . . . 63.42 109.798 -179.281 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -78.32 -60.65 2.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.073 -0.512 . . . . 65.12 111.673 -174.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -64.87 -20.72 66.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.571 -0.286 . . . . 74.42 111.735 -177.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.605 ' HB3' ' HB3' ' A' ' 85' ' ' ARG . 9.9 t70 -109.95 145.41 36.97 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.29 -0.564 . . . . 71.02 110.567 -177.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -92.21 -6.73 50.02 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.988 -0.551 . . . . 73.42 111.777 -173.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.58 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 59.2 m -138.48 -17.19 1.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.916 0.709 . . . . 65.11 112.916 -178.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.605 ' HB3' ' HB3' ' A' ' 82' ' ' ASP . 0.8 OUTLIER -61.61 133.46 55.67 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.306 0.574 . . . . 74.43 109.852 175.314 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.509 ' HD1' ' HD2' ' A' ' 105' ' ' ARG . 55.3 t80 -135.65 124.0 23.3 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.266 -0.879 . . . . 75.23 110.432 -169.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.855 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 10.0 t70 -105.16 135.75 45.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.165 -0.471 . . . . 75.34 110.124 -177.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.463 HD11 ' HD2' ' A' ' 86' ' ' PHE . 3.7 mp -125.34 113.94 37.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.733 -0.667 . . . . 70.1 109.51 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.2 p -115.72 119.45 36.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.225 0.536 . . . . 53.4 112.017 -174.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.761 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 7.2 p -160.71 140.09 3.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 115.875 -0.602 . . . . 72.25 110.769 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 23.9 m120 52.09 34.53 14.31 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.122 0.415 . . . . 75.11 112.122 -178.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.409 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 23.7 t70 74.55 -11.38 1.03 Allowed 'General case' 0 C--N 1.319 -0.731 0 O-C-N 123.68 0.613 . . . . 51.14 111.821 -176.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.7 m -81.25 108.79 15.18 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.71 -0.478 . . . . 72.5 109.71 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 42.5 t -104.25 114.03 42.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.939 -0.573 . . . . 71.12 109.956 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.439 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 14.2 m95 -99.54 132.55 44.8 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.499 -0.773 . . . . 74.45 110.222 -177.074 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.432 ' HB2' ' NZ ' ' A' ' 32' ' ' LYS . 2.2 m-85 -114.71 84.49 2.08 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.941 -0.304 . . . . 73.22 110.182 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.503 HD21 HG11 ' A' ' 45' ' ' VAL . 10.6 mp -95.99 -174.07 3.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.246 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 85' ' ' ARG . 22.8 ttt180 -157.25 143.11 17.64 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.383 -0.599 . . . . 62.23 109.383 177.006 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.587 ' CB ' ' HA ' ' A' ' 105' ' ' ARG . . . -80.76 -172.7 3.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.074 -0.512 . . . . 63.35 110.442 176.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.426 ' HG2' ' H ' ' A' ' 100' ' ' GLN . 47.5 mm-40 -43.96 -71.08 0.09 Allowed 'General case' 0 N--CA 1.464 0.261 0 O-C-N 124.128 0.893 . . . . 74.12 111.801 -175.41 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.731 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 30.3 t70 174.91 -56.34 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.413 0 O-C-N 123.602 0.564 . . . . 72.55 111.291 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 57.7 Cg_endo -97.1 95.97 0.08 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 122.453 2.102 . . . . 71.22 113.632 -177.149 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.3 t70 71.44 -42.94 0.55 Allowed 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.235 1.198 . . . . 73.43 114.235 169.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -70.78 68.09 0.4 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.728 0.64 . . . . 75.51 112.728 -172.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.587 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . 44.1 ttp180 -92.41 -11.42 34.88 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.167 -0.924 . . . . 72.11 108.523 171.006 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.508 ' HA ' HG12 ' A' ' 109' ' ' ILE . 15.5 pt20 -62.98 -8.22 6.81 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 114.479 -1.237 . . . . 74.22 111.59 -174.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -50.87 -46.11 60.23 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.105 0.478 . . . . 72.14 109.862 173.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.465 ' O ' HG13 ' A' ' 112' ' ' ILE . 11.0 m95 -73.13 -38.25 66.34 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.158 -0.682 . . . . 73.13 109.158 -177.424 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.508 HG12 ' HA ' ' A' ' 106' ' ' GLN . 36.5 mm -57.8 -58.35 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.628 -0.715 . . . . 73.1 109.893 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -55.55 -50.64 69.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.557 -0.292 . . . . 33.13 111.363 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.67 -56.62 17.24 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.265 0.555 . . . . 64.45 111.432 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.995 HG12 HD23 ' A' ' 71' ' ' LEU . 30.1 mt -68.51 -46.06 80.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.188 -0.46 . . . . 70.31 111.099 -175.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -55.61 -40.72 72.45 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.787 0.327 . . . . 62.02 111.45 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -81.04 -25.58 37.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.358 -0.383 . . . . 74.13 111.966 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.616 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 21.4 m-70 -93.44 -22.94 18.59 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.629 0.974 . . . . 73.3 113.629 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.33 164.9 23.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.108 0.48 . . . . 54.02 111.34 -175.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.5 p . . . . . 0 C--O 1.25 1.127 0 CA-C-N 115.752 -0.658 . . . . 74.43 110.548 -179.154 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.156 -0.313 . . . . 72.41 110.156 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.03 -45.77 59.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.231 0.539 . . . . 74.34 109.722 -177.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.673 ' HG2' ' CH2' ' A' ' 108' ' ' TRP . 3.4 tpm_? -159.76 128.09 4.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.477 -0.783 . . . . 75.32 109.699 179.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 p -142.19 114.01 8.01 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.568 -0.53 . . . . 42.35 109.568 174.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -165.33 173.82 41.12 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.246 -0.978 . . . . 75.24 112.258 -177.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 m -86.69 137.26 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.461 0.648 . . . . 71.44 110.932 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.422 HD11 ' O ' ' A' ' 96' ' ' TYR . 10.4 tt -117.53 121.29 40.59 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.116 -0.947 . . . . 61.51 108.986 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.442 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 17.6 m -92.54 108.19 19.79 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.096 0.474 . . . . 70.32 110.917 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.547 ' HE3' ' CZ3' ' A' ' 33' ' ' TRP . 43.7 tptt -149.01 163.17 38.3 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.358 -0.608 . . . . 73.15 109.358 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.547 ' CZ3' ' HE3' ' A' ' 32' ' ' LYS . 7.7 p90 -60.7 141.16 57.13 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.158 0.504 . . . . 72.22 111.862 -174.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.9 p -118.1 -22.21 7.9 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.581 -0.736 . . . . 50.2 111.368 175.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -127.96 -77.7 0.57 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.411 -0.358 . . . . 52.2 110.087 -174.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -103.48 173.96 6.08 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.843 -0.799 . . . . 61.53 108.843 173.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.9 mm -61.82 -37.67 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.806 -0.813 . . . . 53.44 108.806 173.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -87.2 82.26 7.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.345 -0.843 . . . . 73.14 109.444 171.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 33' ' ' TRP . . . 166.62 68.52 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.639 -0.71 . . . . 45.21 111.634 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 26.9 p90 -89.09 117.04 27.8 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.31 0.576 . . . . 71.01 110.739 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.442 ' O ' ' HA ' ' A' ' 31' ' ' SER . 59.3 tp60 -102.5 162.01 13.26 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.636 -0.711 . . . . 64.1 109.582 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 4.3 p-10 -95.2 125.23 39.7 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.487 -0.778 . . . . 73.21 109.564 177.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.462 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 17.5 ptt180 -127.5 141.77 51.57 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.688 -0.687 . . . . 70.24 109.821 178.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.543 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 72.1 t-105 -84.95 119.2 25.11 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.877 -0.329 . . . . 74.11 110.18 -173.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.601 HG12 ' HB2' ' A' ' 54' ' ' TYR . 21.9 m -115.39 139.73 40.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-O 121.135 0.493 . . . . 72.51 110.29 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.457 HG13 ' HB2' ' A' ' 53' ' ' SER . 7.2 p -138.69 133.07 41.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.697 -0.683 . . . . 72.45 110.286 -177.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.3 tt -119.34 125.31 48.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.527 -0.546 . . . . 64.42 109.527 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -172.57 149.23 2.07 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.745 -0.465 . . . . 63.4 109.745 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 64.13 22.93 13.04 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.269 0.356 . . . . 72.12 110.865 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.839 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 16.4 t-20 68.49 11.48 8.36 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.999 0.904 . . . . 73.44 110.353 -178.175 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.54 137.73 47.86 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.359 -0.837 . . . . 60.4 109.795 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' ' 68' ' ' SER . 49.7 tp -110.48 135.42 51.18 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.44 -0.578 . . . . 75.23 109.44 177.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.457 ' HB2' HG13 ' A' ' 46' ' ' VAL . 72.6 m -135.52 147.52 48.84 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.095 -0.502 . . . . 75.12 110.406 -173.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.601 ' HB2' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -140.89 150.79 43.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.496 0.665 . . . . 65.24 111.177 175.373 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.498 ' CD1' ' HD1' ' A' ' 44' ' ' TRP . 10.5 m-85 -128.12 162.14 27.62 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 114.628 -1.169 . . . . 61.34 108.13 -177.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.518 ' HB2' ' CD1' ' A' ' 63' ' ' TYR . 2.3 mmmp? -59.54 -21.31 60.07 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.717 1.006 . . . . 73.11 113.717 -173.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.1 t -174.26 -175.09 0.95 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.243 -1.021 . . . . 70.03 108.243 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.42 -28.07 67.98 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.515 0.561 . . . . 63.11 112.515 -172.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.571 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 15.7 t70 -46.03 -43.87 14.78 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.24 0.337 . . . . 71.42 111.479 -178.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.548 ' HA ' ' HD2' ' A' ' 63' ' ' TYR . 8.0 pt-20 49.12 -36.08 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.608 1.963 . . . . 65.53 116.067 -175.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 p -63.61 -43.48 96.78 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.196 0.813 . . . . 71.2 113.196 -171.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.466 ' HG2' ' OD1' ' A' ' 59' ' ' ASP . 10.0 pt-20 -80.73 -15.17 57.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.311 0.577 . . . . 72.11 110.132 -177.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 59' ' ' ASP . 23.7 m-85 -86.77 -32.92 20.12 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.383 -0.826 . . . . 70.23 111.198 -173.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.437 ' O ' ' HE2' ' A' ' 55' ' ' TYR . . . 75.52 -70.31 1.94 Allowed Glycine 0 C--O 1.229 -0.188 0 C-N-CA 121.194 -0.527 . . . . 71.33 111.838 -178.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 21.7 p -175.14 127.85 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.772 -0.825 . . . . 74.23 108.772 173.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.482 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 14.9 mmt85 -111.57 -8.35 14.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.251 0.548 . . . . 62.13 110.848 -174.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.77 135.64 3.6 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.495 -1.042 . . . . 42.33 110.495 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 25.5 t -150.93 137.63 18.88 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 110.026 -0.361 . . . . 71.22 110.026 -178.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.536 ' HB ' HG11 ' A' ' 90' ' ' VAL . 20.2 pt -138.52 153.88 26.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.198 -0.456 . . . . 74.2 110.309 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 84.0 m -99.13 125.2 44.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.216 -0.447 . . . . 51.12 109.99 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.005 HD23 HG12 ' A' ' 112' ' ' ILE . 6.8 mp -83.14 27.7 0.55 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.952 -0.567 . . . . 74.14 111.023 -175.103 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.2 t -60.94 -60.46 3.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 74.33 110.305 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.27 19.31 9.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.325 -0.398 . . . . 74.2 110.668 178.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.46 110.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 72.22 109.884 176.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 50.5 t -70.94 120.89 19.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.0 -0.545 . . . . 70.23 110.879 -174.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.522 HD11 HD12 ' A' ' 112' ' ' ILE . 55.9 mt -82.24 110.11 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.954 -0.566 . . . . 44.24 109.753 176.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 1.056 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 1.1 m -93.9 103.78 11.28 Favored Pre-proline 0 C--N 1.313 -1.001 0 CA-C-N 115.923 -0.58 . . . . 62.22 109.698 176.318 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.52 ' HD3' ' O ' ' A' ' 76' ' ' ILE . 12.3 Cg_exo -70.46 111.36 2.93 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.408 2.072 . . . . 71.35 111.417 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.507 ' HB3' ' HB3' ' A' ' 85' ' ' ARG . 2.0 t60 -74.7 103.05 4.83 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.723 -0.843 . . . . 63.43 108.723 178.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -72.64 -45.43 59.02 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.359 -0.837 . . . . 72.05 111.37 -165.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -66.82 -24.42 66.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.796 -0.638 . . . . 73.34 110.573 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -86.21 -38.29 17.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.277 -0.419 . . . . 64.32 110.222 -177.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 75.54 -31.55 0.2 Allowed 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.258 1.023 . . . . 74.13 111.733 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 57.4 m -107.6 -13.28 15.09 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.249 -0.432 . . . . 73.11 111.238 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.507 ' HB3' ' HB3' ' A' ' 79' ' ' HIS . 15.4 ttm-85 -94.08 143.18 26.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.428 0.633 . . . . 55.42 111.821 -174.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.63 ' HE2' ' HB2' ' A' ' 105' ' ' ARG . 43.7 m-85 -133.77 127.33 32.51 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.967 -1.015 . . . . 73.52 109.915 177.213 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 1.056 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 11.6 t70 -94.93 136.07 35.69 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.662 -1.154 . . . . 54.14 109.88 -178.109 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.746 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 27.3 mm -114.48 106.5 20.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 110.177 -0.305 . . . . 74.11 110.177 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.3 p -114.14 111.11 21.05 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.584 0.707 . . . . 73.13 111.487 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.536 HG11 ' HB ' ' A' ' 69' ' ' ILE . 12.4 p -137.83 123.23 24.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.556 -0.747 . . . . 65.22 109.798 178.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.7 m120 60.87 28.88 18.63 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.663 -0.244 . . . . 60.24 111.193 -178.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.9 t70 75.42 -6.55 1.95 Allowed 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.717 0.635 . . . . 73.31 111.659 -175.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.9 m -74.87 112.92 11.57 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.008 -0.738 . . . . 74.3 109.008 173.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.5 t -107.43 124.78 63.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.014 0.435 . . . . 62.24 111.501 -172.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.746 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 24.7 m95 -116.75 115.59 25.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.837 -0.62 . . . . 75.34 110.377 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.422 ' O ' HD11 ' A' ' 30' ' ' LEU . 21.0 m-85 -92.98 97.28 10.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.618 -0.265 . . . . 74.32 110.439 -179.428 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.8 mp -106.69 158.74 16.74 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.08 -0.341 . . . . 75.22 110.08 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.495 ' HG3' ' CA ' ' A' ' 85' ' ' ARG . 1.8 ttp85 -145.93 155.08 42.62 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.884 -0.326 . . . . 74.21 110.73 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.716 ' HB2' ' HB3' ' A' ' 105' ' ' ARG . . . -72.36 158.0 36.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.048 -0.524 . . . . 75.51 110.488 175.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -79.23 -20.73 47.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.013 -0.54 . . . . 61.33 110.865 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.922 ' HB2' ' HD2' ' A' ' 102' ' ' PRO . 4.7 p-10 -141.01 174.55 3.79 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.47 -0.332 . . . . 71.45 110.114 -177.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.922 ' HD2' ' HB2' ' A' ' 101' ' ' ASP . 5.8 Cg_endo -48.52 -29.51 14.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 C-N-CA 123.53 2.82 . . . . 70.4 114.363 -177.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -131.02 -157.47 0.82 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.677 -0.49 . . . . 63.12 109.677 176.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.451 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 64.5 m80 70.33 8.7 6.74 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 122.533 0.333 . . . . 70.42 111.323 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.716 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . 2.2 ppt_? -69.43 -11.12 60.56 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.374 0.607 . . . . 73.44 110.161 176.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -55.27 -12.26 0.96 Allowed 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.006 -0.997 . . . . 65.25 111.028 170.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 18.7 mm-40 -46.04 -54.14 8.95 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.777 -0.453 . . . . 63.33 109.777 170.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.673 ' CH2' ' HG2' ' A' ' 26' ' ' ARG . 14.5 m95 -70.21 -46.58 64.22 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.404 -0.816 . . . . 75.22 109.49 -173.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.424 ' O ' ' HG2' ' A' ' 113' ' ' GLU . 26.6 mm -55.61 -62.8 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.367 -0.833 . . . . 71.32 110.474 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -60.3 -41.28 93.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.748 -0.66 . . . . 71.15 111.046 -174.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.12 -54.99 40.49 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 121.036 0.446 . . . . 72.35 110.741 178.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 1.005 HG12 HD23 ' A' ' 71' ' ' LEU . 43.9 mt -67.67 -46.44 82.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.419 -0.355 . . . . 72.42 111.15 -176.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 109' ' ' ILE . 8.7 mm-40 -58.8 -36.81 75.06 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.852 0.358 . . . . 63.23 111.374 -178.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -79.95 -31.4 39.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.553 -0.294 . . . . 74.02 111.196 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.839 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 58.5 m-70 -91.86 2.53 56.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.922 0.342 . . . . 70.55 111.922 -179.035 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.888 ' HE2' ' HA ' ' A' ' 116' ' ' LYS . 7.5 mmpt? -42.07 141.55 0.87 Allowed 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.47 0.915 . . . . 74.3 113.47 175.417 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.247 0.939 0 CA-C-N 114.449 -1.25 . . . . 72.42 108.849 178.853 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.8 t . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 108.947 -0.76 . . . . 52.32 108.947 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.83 -58.33 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.437 0.461 . . . . 73.02 109.944 -176.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.672 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 3.3 tpm_? -143.55 132.21 22.48 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.017 168.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.0 p -145.26 120.96 10.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.992 -0.549 . . . . 53.54 109.787 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -176.71 169.82 42.38 Favored Glycine 0 C--O 1.228 -0.281 0 C-N-CA 120.127 -1.035 . . . . 34.45 112.606 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.908 HG13 ' HE3' ' A' ' 44' ' ' TRP . 2.7 m -92.46 150.32 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.091 0.472 . . . . 71.44 110.883 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.446 ' O ' ' HA ' ' A' ' 42' ' ' ASP . 3.6 pp -128.63 142.77 50.93 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.581 -0.736 . . . . 63.3 109.138 173.193 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.6 p -105.5 102.61 12.07 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.826 -0.625 . . . . 75.32 110.219 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -113.32 144.5 42.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.289 -0.414 . . . . 64.31 110.381 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.11 88.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.296 0.569 . . . . 72.15 110.435 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.1 p -83.68 98.75 9.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.759 -0.655 . . . . 71.23 111.348 -175.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 74.43 -34.12 0.26 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.543 -0.753 . . . . 73.23 111.783 176.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.44 ' HB2' ' HA3' ' A' ' 39' ' ' GLY . 21.1 m-85 -115.78 133.25 56.22 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.626 -0.509 . . . . 75.44 109.626 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.5 tp -66.0 -25.87 37.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.024 0.44 . . . . 44.53 110.4 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -102.37 13.32 34.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.014 0.435 . . . . 74.1 110.413 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.44 ' HA3' ' HB2' ' A' ' 36' ' ' TYR . . . -118.69 62.99 0.44 Allowed Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.756 -0.656 . . . . 71.02 111.762 -178.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 -72.64 109.56 6.37 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.92 -0.4 . . . . 71.4 109.92 177.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -91.59 137.69 32.16 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.255 0.55 . . . . 63.2 110.837 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.446 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 4.2 m-20 -97.84 117.88 33.16 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.744 -1.117 . . . . 71.03 109.159 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -126.09 147.87 49.49 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.08 -0.509 . . . . 74.13 110.171 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.908 ' HE3' HG13 ' A' ' 29' ' ' VAL . 64.8 t-105 -96.34 118.69 33.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.304 -0.407 . . . . 72.12 110.085 -173.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.9 m -111.56 141.72 26.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.456 0.646 . . . . 73.0 111.42 -176.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.502 ' O ' HD12 ' A' ' 52' ' ' LEU . 46.3 t -129.97 122.95 55.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 114.88 -1.055 . . . . 63.22 110.633 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 tt -107.68 111.22 23.31 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.671 -0.863 . . . . 72.12 108.671 176.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -157.64 143.19 17.19 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.044 -0.262 . . . . 75.24 111.016 -177.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 54.76 35.61 24.45 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.179 -0.464 . . . . 60.42 111.397 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.536 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 2.7 t-20 68.0 5.7 4.73 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.142 -0.936 . . . . 60.42 111.125 178.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.36 124.59 52.82 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.225 0.536 . . . . 75.54 109.948 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 46' ' ' VAL . 51.6 tp -99.68 131.19 45.83 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.977 -0.749 . . . . 71.22 108.977 177.442 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 15.5 m -141.77 139.41 32.79 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.17 -0.468 . . . . 61.32 109.835 -175.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.646 ' HB3' ' CZ3' ' A' ' 95' ' ' TRP . 3.0 p90 -124.84 156.07 38.45 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.057 -0.657 . . . . 71.25 111.025 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -127.79 165.64 19.71 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 114.904 -1.043 . . . . 75.44 109.043 -177.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.519 ' HB3' ' CG ' ' A' ' 63' ' ' TYR . 29.4 tptp -57.41 -32.46 66.88 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 123.619 0.574 . . . . 63.45 111.466 -178.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.6 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 8.1 t -171.81 -163.79 0.28 Allowed 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.702 -0.481 . . . . 71.52 109.702 176.207 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -67.35 -28.21 67.77 Favored 'General case' 0 N--CA 1.461 0.116 0 O-C-N 123.117 0.261 . . . . 70.1 111.362 -173.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.519 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 5.6 m-20 -74.72 47.91 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.358 0.599 . . . . 64.21 110.397 173.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -46.21 -37.76 7.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.722 -1.126 . . . . 72.25 112.409 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.5 p -56.94 -34.87 68.43 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.284 0.476 . . . . 75.21 112.284 -177.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -111.91 4.86 18.53 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.918 -0.313 . . . . 61.51 111.625 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 9.7 m-85 -104.11 -24.53 13.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.693 0.282 . . . . 72.0 110.937 177.401 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.81 160.23 9.09 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 121.005 -0.617 . . . . 71.54 113.016 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.4 p -72.34 109.96 6.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.137 0.494 . . . . 62.33 110.187 178.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -91.03 -17.64 25.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.916 -0.584 . . . . 72.52 110.762 -175.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -157.84 148.8 18.75 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.978 -0.849 . . . . 70.41 110.978 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 13.2 p -159.43 121.79 3.47 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 117.013 0.407 . . . . 73.5 110.759 -176.187 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.405 ' HB ' HG11 ' A' ' 90' ' ' VAL . 23.3 pt -128.7 156.87 41.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.148 -0.478 . . . . 71.43 111.251 179.075 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 85.2 m -99.08 119.39 37.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.47 -0.786 . . . . 63.34 109.676 175.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.877 HD23 HG12 ' A' ' 112' ' ' ILE . 8.2 mp -84.08 25.52 0.82 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.29 0.567 . . . . 65.22 110.699 -175.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.4 m -77.46 -31.76 53.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.378 -0.828 . . . . 52.44 110.452 177.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.22 4.28 4.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.595 -0.73 . . . . 75.54 110.908 -177.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.659 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -65.7 133.5 51.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.122 -0.49 . . . . 45.2 110.946 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.1 t -85.97 108.82 17.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.675 -0.693 . . . . 61.12 110.387 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.8 mt -77.21 107.86 9.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.047 -0.524 . . . . 71.03 109.75 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.2 m -109.2 99.98 38.68 Favored Pre-proline 0 C--N 1.316 -0.889 0 CA-C-N 116.264 -0.426 . . . . 75.13 110.917 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.25 125.1 13.46 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.148 1.898 . . . . 64.05 109.998 172.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.401 ' HB3' ' O ' ' A' ' 82' ' ' ASP . 34.1 t60 -63.38 137.03 58.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.849 -0.426 . . . . 53.05 109.849 -177.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.54 -49.86 43.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.947 0.403 . . . . 34.31 111.13 -172.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -83.15 -11.38 57.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.254 -0.43 . . . . 73.32 111.635 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 79' ' ' HIS . 58.2 m-20 -128.27 107.79 10.06 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 120.665 0.269 . . . . 73.5 110.553 178.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -76.84 -25.69 53.48 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.094 -0.503 . . . . 54.13 110.689 -177.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 98' ' ' ARG . 72.6 m -85.07 -13.69 49.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.107 -0.497 . . . . 64.03 110.81 178.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.4 ' HD2' ' HB2' ' A' ' 79' ' ' HIS . 9.3 ttm180 -94.55 132.44 39.24 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.36 0.6 . . . . 55.14 110.599 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.4 ' CE1' ' HD3' ' A' ' 105' ' ' ARG . 3.8 m-85 -125.41 126.74 45.45 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.494 -0.776 . . . . 74.11 110.335 178.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -108.55 115.54 30.3 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.65 -0.704 . . . . 62.31 109.641 -178.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.472 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 4.1 mp -108.01 113.52 44.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 CA-C-N 115.273 -0.876 . . . . 75.31 109.694 -173.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.1 p -120.37 117.9 28.96 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.211 0.529 . . . . 64.25 111.884 -173.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.659 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 12.5 p -147.16 129.63 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.327 -0.62 . . . . 72.41 109.327 175.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.442 ' O ' ' HB2' ' A' ' 92' ' ' ASP . 18.3 m120 59.86 27.99 17.41 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.692 0.282 . . . . 73.24 111.329 -178.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 91' ' ' ASN . 5.3 m-20 70.92 2.35 4.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.695 -0.684 . . . . 71.12 112.4 -175.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.8 m -80.06 101.29 8.63 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.644 -0.873 . . . . 61.42 108.644 173.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.1 t -99.19 117.15 43.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.661 -0.7 . . . . 71.52 110.962 -174.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.646 ' CZ3' ' HB3' ' A' ' 54' ' ' TYR . 26.4 m95 -106.64 133.82 50.74 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.468 -0.787 . . . . 73.22 110.26 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -109.47 94.74 5.19 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.005 -0.368 . . . . 61.13 110.005 177.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 79.2 mt -95.9 162.58 13.52 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.254 -0.43 . . . . 70.54 110.058 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.435 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 1.1 ttp180 -140.87 138.53 34.01 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.024 -0.732 . . . . 71.34 109.024 175.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.65 139.46 53.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.64 0.257 . . . . 62.12 110.313 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.45 -16.87 61.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.106 0.479 . . . . 64.44 110.474 -178.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -134.86 133.51 21.14 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.1 -0.5 . . . . 72.34 109.875 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.49 131.28 36.24 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.41 2.74 . . . . 65.31 113.17 -176.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.9 t70 73.61 -25.46 0.19 Allowed 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.099 -0.955 . . . . 73.14 112.849 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -81.25 65.74 6.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.939 0.876 . . . . 74.32 110.288 -177.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.4 ' HD3' ' CE1' ' A' ' 86' ' ' PHE . 13.0 ptp180 -83.96 -4.04 58.43 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.124 -1.398 . . . . 64.43 109.307 178.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -25.14 8.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.249 -1.341 . . . . 74.41 112.491 -174.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -49.86 -50.57 45.16 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.599 0.562 . . . . 74.2 110.688 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.672 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 10.9 m95 -70.21 -49.61 48.46 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.535 -0.757 . . . . 64.15 109.676 -175.027 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.3 mm -56.06 -55.64 17.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.366 -0.834 . . . . 64.04 110.325 -176.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -61.61 -52.7 63.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.705 -0.68 . . . . 52.23 111.213 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.99 -54.49 38.26 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.354 0.597 . . . . 53.54 111.252 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.877 HG12 HD23 ' A' ' 71' ' ' LEU . 38.2 mt -68.83 -49.14 66.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.926 -0.579 . . . . 71.32 111.656 -174.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -58.78 -37.65 76.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.673 0.273 . . . . 75.53 111.607 -178.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -79.53 -28.34 41.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.487 -0.324 . . . . 64.43 111.754 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 31.9 m-70 -91.01 -23.31 20.42 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 113.473 0.916 . . . . 73.35 113.473 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.554 ' O ' ' HE3' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -69.57 166.88 18.01 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.291 0.567 . . . . 71.4 111.654 -173.901 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.251 1.159 0 CA-C-N 115.638 -0.71 . . . . 44.03 109.601 176.479 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.49 HG11 ' HB3' ' A' ' 27' ' ' CYS . 39.5 t . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 109.54 -0.541 . . . . 52.22 109.54 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.454 ' CD ' ' HE2' ' A' ' 115' ' ' HIS . 6.4 mm-40 -64.3 -46.6 82.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.26 0.553 . . . . 74.52 110.006 -176.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.605 ' NE ' ' HA ' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -156.04 128.46 7.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.791 -0.64 . . . . 71.13 109.886 172.787 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.49 ' HB3' HG11 ' A' ' 24' ' ' VAL . 4.3 p -140.02 123.78 17.38 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.149 -0.478 . . . . 64.04 109.793 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.55 170.7 43.76 Favored Glycine 0 C--N 1.319 -0.364 0 C-N-CA 120.192 -1.004 . . . . 60.51 112.576 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.89 HG13 ' HE3' ' A' ' 44' ' ' TRP . 1.7 m -95.66 141.08 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.146 0.498 . . . . 63.34 111.639 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.608 HD22 ' HA ' ' A' ' 97' ' ' LEU . 34.1 tp -119.98 130.29 54.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.521 -0.763 . . . . 50.52 110.232 174.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.5 p -76.51 94.5 3.71 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.011 -0.54 . . . . 74.11 110.233 176.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -120.76 138.37 54.04 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.492 -0.558 . . . . 53.41 109.492 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.894 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 5.7 m-90 -69.42 91.39 0.56 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.109 -0.496 . . . . 72.22 110.423 -178.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.7 t -81.76 -15.43 54.33 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.95 -0.759 . . . . 34.13 108.95 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -123.1 169.81 10.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.968 -1.015 . . . . 53.45 108.717 177.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -100.02 -67.24 0.86 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.068 0.461 . . . . 75.23 110.713 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.2 mm -68.69 -37.07 77.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.835 -0.62 . . . . 54.31 110.871 -178.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -79.91 -16.6 54.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.594 -176.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.94 -136.59 13.58 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.6 -0.81 . . . . 61.03 113.164 176.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.894 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 63.7 p-90 -97.23 167.97 10.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.406 0.622 . . . . 73.31 112.047 -172.03 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -146.09 160.48 41.85 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.084 -1.08 . . . . 75.32 108.084 171.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.644 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 65.7 m-20 -93.68 107.44 19.31 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.154 0.502 . . . . 74.35 110.562 -176.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.527 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 3.1 ptm180 -93.91 137.12 33.48 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.374 -0.83 . . . . 73.13 109.481 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.89 ' HE3' HG13 ' A' ' 29' ' ' VAL . 69.1 t-105 -93.0 112.88 25.0 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 109.614 -0.513 . . . . 74.01 109.614 -176.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 22.1 m -109.71 141.21 25.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-O 121.242 0.544 . . . . 74.25 110.792 -175.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.463 ' O ' HD12 ' A' ' 52' ' ' LEU . 36.4 t -131.44 118.55 40.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.106 -0.952 . . . . 65.01 110.689 -177.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.7 tt -103.29 121.78 43.43 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.525 -0.917 . . . . 75.02 108.525 174.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 57.6 tptt -169.01 141.95 2.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.695 -0.229 . . . . 72.0 110.472 -177.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.52 24.57 14.1 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.387 -0.369 . . . . 72.4 111.169 175.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.595 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 4.1 t-20 72.36 5.03 5.18 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.523 0.729 . . . . 40.22 110.593 -178.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.97 150.3 25.82 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.75 -0.659 . . . . 52.02 109.481 177.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.463 HD12 ' O ' ' A' ' 46' ' ' VAL . 32.1 tp -124.86 132.03 53.37 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.273 -0.64 . . . . 63.42 109.273 176.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.6 m -137.66 153.9 49.77 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.71 -0.677 . . . . 64.3 109.565 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.648 ' HB3' ' CZ3' ' A' ' 95' ' ' TRP . 0.7 OUTLIER -137.09 152.58 50.19 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.228 -0.589 . . . . 72.15 110.5 178.133 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.512 ' HD2' ' HD1' ' A' ' 44' ' ' TRP . 25.7 m-85 -129.35 167.43 17.77 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.236 -0.893 . . . . 72.53 108.592 -174.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.597 ' HB2' ' CG ' ' A' ' 63' ' ' TYR . 31.6 mmmt -58.02 -35.31 71.09 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 123.538 0.524 . . . . 53.15 111.413 -179.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.591 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 15.8 t -171.74 -168.44 0.59 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.396 -0.366 . . . . 73.43 110.043 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -59.76 -28.48 67.43 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 123.349 0.66 . . . . 74.02 111.538 -173.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.542 ' OD2' ' HB3' ' A' ' 62' ' ' GLU . 12.7 t70 -78.59 48.8 0.82 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.893 0.854 . . . . 75.1 109.581 178.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -46.13 -32.99 3.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.252 -1.34 . . . . 75.3 113.236 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 p -58.35 -45.81 87.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.785 0.326 . . . . 55.41 111.552 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.542 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.4 tp10 -85.29 -47.38 10.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.383 -0.371 . . . . 74.11 110.728 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.597 ' CG ' ' HB2' ' A' ' 56' ' ' LYS . 18.2 m-85 -60.9 -31.33 70.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.412 0.523 . . . . 74.33 112.412 -173.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.68 160.06 10.26 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.494 -0.86 . . . . 35.25 113.449 173.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.9 m -64.28 117.95 7.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.219 0.533 . . . . 72.02 110.596 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.481 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 24.1 mmt180 -105.18 -6.43 19.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.815 -0.629 . . . . 72.52 110.844 -178.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -164.63 146.01 10.9 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.318 -0.856 . . . . 63.3 111.178 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.6 t -151.8 125.64 9.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.866 0.365 . . . . 74.21 110.818 -178.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.477 HD13 ' CD1' ' A' ' 95' ' ' TRP . 28.6 pt -136.12 153.84 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.121 -0.49 . . . . 73.03 110.423 176.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 73.5 m -104.93 116.98 32.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.963 -0.562 . . . . 62.24 110.309 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.69 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 8.3 mp -78.75 9.3 4.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.834 -0.621 . . . . 72.41 111.353 -174.19 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.0 m -66.03 -32.07 73.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.813 -0.63 . . . . 72.25 110.654 176.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.449 ' N ' ' HD3' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -132.69 6.91 4.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.631 -0.713 . . . . 74.31 110.574 -179.053 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.69 ' HB3' ' HA ' ' A' ' 71' ' ' LEU . . . -79.93 125.59 29.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.917 -0.583 . . . . 75.53 110.162 177.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.3 t -83.35 120.14 34.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.846 0.355 . . . . 61.22 111.077 -174.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.542 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 53.7 mt -75.04 118.45 20.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.102 -0.499 . . . . 65.24 110.009 176.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.478 ' HB ' ' CG ' ' A' ' 87' ' ' ASP . 91.5 m -104.77 96.54 10.76 Favored Pre-proline 0 C--N 1.318 -0.767 0 N-CA-C 109.949 -0.389 . . . . 61.2 109.949 173.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.542 ' HD3' ' O ' ' A' ' 76' ' ' ILE . 6.1 Cg_exo -78.41 116.49 3.87 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.381 2.054 . . . . 54.22 110.619 176.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.522 ' HB2' ' HD2' ' A' ' 85' ' ' ARG . 3.1 t-80 -59.13 132.02 52.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.999 0.428 . . . . 72.32 109.931 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -78.75 -32.87 46.82 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.25 0.547 . . . . 72.43 110.447 -173.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -75.99 -26.04 56.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.642 -0.708 . . . . 64.15 110.819 176.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.526 ' HB2' ' HB3' ' A' ' 85' ' ' ARG . 11.3 m-20 -117.58 107.48 14.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.38 -0.373 . . . . 75.31 111.105 -176.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 104' ' ' HIS . 47.1 mm-40 -64.59 -22.74 67.05 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.047 -0.524 . . . . 74.33 111.752 -177.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.641 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 64.4 m -104.02 -10.66 17.9 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.747 -0.381 . . . . 71.52 111.715 -177.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.526 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 2.0 ttm180 -93.19 142.29 27.47 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.45 -0.5 . . . . 63.32 110.933 -175.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.74 ' CE1' ' HB3' ' A' ' 97' ' ' LEU . 1.7 p90 -148.38 158.4 44.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.614 -0.721 . . . . 65.43 109.462 176.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.478 ' CG ' ' HB ' ' A' ' 77' ' ' THR . 3.4 p30 -137.04 127.33 26.39 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.272 0.558 . . . . 75.35 110.179 175.136 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.789 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 42.8 mm -86.05 99.16 7.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.826 -0.624 . . . . 64.52 110.419 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.0 p -95.72 103.1 14.96 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.563 0.697 . . . . 74.03 110.954 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.762 HG22 ' H ' ' A' ' 91' ' ' ASN . 7.4 p -117.31 -173.96 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.253 -1.017 . . . . 75.32 108.253 175.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.762 ' H ' HG22 ' A' ' 90' ' ' VAL . 17.3 m-20 -44.27 101.86 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.492 0.717 . . . . 65.12 112.002 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.4 t70 51.34 32.2 8.1 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 123.408 0.683 . . . . 65.1 112.051 177.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.489 ' HB2' ' CG1' ' A' ' 90' ' ' VAL . 39.3 m -146.33 107.44 4.18 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.012 -0.43 . . . . 52.11 110.579 178.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.8 t -106.77 114.61 46.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.779 -0.452 . . . . 65.3 109.779 177.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.789 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 21.9 m95 -103.08 96.06 6.54 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.215 -0.448 . . . . 62.41 111.735 -174.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -73.38 139.78 46.17 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.022 -0.535 . . . . 64.51 110.12 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.74 ' HB3' ' CE1' ' A' ' 86' ' ' PHE . 45.0 tp -165.07 176.36 8.61 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.782 -0.821 . . . . 71.31 108.782 175.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.531 ' H ' ' HG ' ' A' ' 97' ' ' LEU . 23.2 ttm-85 -154.72 150.27 27.43 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.692 -0.485 . . . . 60.42 109.692 -176.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.641 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . . . -67.93 151.98 46.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.257 -0.428 . . . . 61.11 109.875 174.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.597 ' H ' HE21 ' A' ' 100' ' ' GLN . 0.0 OUTLIER -52.68 -65.27 0.59 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.646 -0.706 . . . . 72.54 112.183 -177.194 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.482 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 23.6 t70 -175.58 -58.99 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.386 0 N-CA-C 111.906 0.335 . . . . 64.04 111.906 178.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.482 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 32.4 Cg_endo -64.51 -18.09 61.76 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 122.222 1.948 . . . . 72.12 113.13 -175.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.609 ' OD1' ' HG3' ' A' ' 106' ' ' GLN . 5.0 t70 -121.2 -179.85 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.43 -0.581 . . . . 73.42 109.43 178.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.457 ' HB2' ' HG2' ' A' ' 106' ' ' GLN . 55.1 m-70 -129.93 -158.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.652 0.263 . . . . 63.43 110.322 -172.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.478 ' O ' HG12 ' A' ' 109' ' ' ILE . 8.1 ptt180 -54.6 -25.57 27.19 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.126 -0.488 . . . . 73.04 111.742 176.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.609 ' HG3' ' OD1' ' A' ' 103' ' ' ASP . 4.7 pt20 -55.0 -26.15 34.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.903 -0.59 . . . . 74.22 112.403 -178.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.49 ' HG2' ' OD1' ' A' ' 103' ' ' ASP . 13.2 mm-40 -49.18 -56.29 9.71 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 122.335 1.064 . . . . 72.11 109.964 171.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.563 ' CH2' ' HG2' ' A' ' 26' ' ' ARG . 8.3 m95 -78.95 -39.72 33.79 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 113.77 -1.559 . . . . 63.21 109.782 -170.398 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 105' ' ' ARG . 39.8 mm -55.65 -52.78 44.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.959 -0.564 . . . . 73.34 109.779 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.17 -50.76 69.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.411 -0.359 . . . . 51.54 111.498 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.78 -55.84 27.65 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-O 121.533 0.682 . . . . 75.1 111.148 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.667 HG12 HD23 ' A' ' 71' ' ' LEU . 55.1 mt -65.03 -51.55 64.86 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 CA-C-N 115.75 -0.659 . . . . 75.0 110.703 -176.096 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.647 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 4.9 mm-40 -50.63 -44.67 57.39 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.176 0.512 . . . . 72.24 111.4 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -76.45 -18.79 58.61 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.087 -0.506 . . . . 55.34 111.591 -177.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.595 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 11.2 m-70 -97.07 -23.86 16.05 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 114.143 1.164 . . . . 72.12 114.143 176.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.647 ' HE2' ' O ' ' A' ' 113' ' ' GLU . 0.0 OUTLIER -86.14 169.76 12.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 118.662 0.664 . . . . 73.13 111.563 -176.622 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 66.9 p . . . . . 0 C--O 1.252 1.235 0 CA-C-N 115.023 -0.99 . . . . 53.21 110.617 -174.027 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.436 HG21 ' HB3' ' A' ' 27' ' ' CYS . 7.4 p . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 110.003 -0.369 . . . . 54.55 110.003 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.664 ' HG2' ' HA ' ' A' ' 48' ' ' LYS . 4.0 mm-40 -89.3 -56.21 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.271 0.558 . . . . 54.53 110.2 -175.177 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.716 ' HA ' ' HE ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -141.03 119.51 12.3 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.322 -0.621 . . . . 75.35 109.322 177.84 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 3.6 p -135.88 115.33 12.68 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.471 -0.331 . . . . 74.43 110.199 -179.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -168.48 163.51 37.23 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 119.861 -1.161 . . . . 61.42 113.065 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.851 HG13 ' HE3' ' A' ' 44' ' ' TRP . 4.5 m -92.74 143.85 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.893 0.378 . . . . 74.4 110.566 176.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.599 ' O ' ' HA ' ' A' ' 42' ' ' ASP . 2.5 pt? -139.7 165.57 26.91 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.984 -0.553 . . . . 62.5 110.545 177.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.9 p -97.37 110.77 23.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.409 0.623 . . . . 60.34 111.345 -174.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 16.8 tptm -138.82 138.66 37.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.933 -0.576 . . . . 75.43 109.845 176.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.658 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 19.2 p90 -73.3 141.01 47.16 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.762 -0.459 . . . . 75.31 109.762 177.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.7 p -92.26 -55.06 3.56 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.903 -0.589 . . . . 74.43 110.485 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -126.6 -41.86 1.83 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.059 -0.519 . . . . 73.11 110.534 175.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.658 ' O ' ' HB2' ' A' ' 33' ' ' TRP . 97.5 m-85 -98.84 126.71 44.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 74.0 110.228 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.495 ' HA ' ' CG ' ' A' ' 33' ' ' TRP . 63.4 mt -64.35 -48.32 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 N-CA-C 112.256 0.465 . . . . 71.23 112.256 -173.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -80.58 -0.33 37.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.19 0.519 . . . . 74.41 110.993 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.31 60.86 0.31 Allowed Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 110.817 -0.913 . . . . 73.23 110.817 173.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.621 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 48.2 p90 -76.8 152.9 35.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 110.156 -0.313 . . . . 74.22 110.156 -178.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -143.91 172.28 13.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.953 0.406 . . . . 74.13 110.425 179.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.599 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 8.5 p-10 -94.35 136.47 34.61 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.541 -0.754 . . . . 74.24 110.91 -173.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.558 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 18.9 ptp180 -130.41 150.06 51.81 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.123 -0.944 . . . . 74.33 109.205 176.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.851 ' HE3' HG13 ' A' ' 29' ' ' VAL . 63.4 t-105 -99.47 120.4 39.56 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 123.463 0.477 . . . . 71.2 109.964 -175.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.525 HG12 ' HB2' ' A' ' 54' ' ' TYR . 29.0 m -116.5 144.15 24.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.086 0.469 . . . . 74.34 111.03 -177.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.571 ' O ' HD12 ' A' ' 52' ' ' LEU . 77.2 t -130.0 115.23 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.1 -0.955 . . . . 60.21 111.247 -176.23 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -101.09 123.47 45.3 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.64 -0.874 . . . . 73.42 108.64 175.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.664 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 60.6 pttt -177.77 160.0 1.47 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 110.082 -0.34 . . . . 75.31 110.082 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 56.67 26.14 10.9 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.281 0.474 . . . . 60.51 112.281 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.566 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 2.8 t-20 67.89 13.64 9.22 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.381 0.61 . . . . 74.33 110.479 -177.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -123.39 172.08 8.95 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.744 -0.662 . . . . 75.12 110.21 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 46' ' ' VAL . 56.0 tp -143.43 138.75 29.55 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.962 -0.563 . . . . 72.41 109.511 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.6 p -142.77 151.45 41.24 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 110.058 -0.349 . . . . 64.12 110.058 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.651 ' HB3' ' CZ3' ' A' ' 95' ' ' TRP . 1.4 p90 -131.71 151.42 51.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.47 0.652 . . . . 63.23 110.922 177.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.485 ' HD1' ' HD1' ' A' ' 44' ' ' TRP . 15.5 m-85 -133.41 173.73 11.16 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.878 -1.055 . . . . 74.43 109.317 -174.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.459 ' HG2' ' HE ' ' A' ' 66' ' ' ARG . 69.5 mmtt -62.78 -49.8 73.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.664 -0.698 . . . . 70.23 111.277 178.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.64 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 50.5 m -147.44 179.79 7.41 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.296 -0.411 . . . . 70.33 110.44 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.41 ' HG3' ' CH2' ' A' ' 44' ' ' TRP . 38.7 tt0 -60.19 -26.69 66.55 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.967 0.728 . . . . 73.5 112.967 -171.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.566 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 16.3 t70 -52.08 -37.74 54.89 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.054 0.39 . . . . 61.32 112.054 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 59.46 -63.59 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.286 1.034 . . . . 71.43 113.629 -173.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.4 t -49.25 -51.9 30.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 114.042 1.127 . . . . 74.33 114.042 -163.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' HG2' ' OD2' ' A' ' 59' ' ' ASP . 14.0 pt-20 -100.2 16.27 24.8 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.883 -0.727 . . . . 44.3 111.267 -177.12 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.64 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 20.7 m-85 -106.91 -8.04 16.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.625 -0.716 . . . . 73.12 109.859 172.2 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.34 -114.61 3.89 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.617 -0.72 . . . . 52.11 112.428 171.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 41.6 t -169.32 112.88 0.52 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.335 -0.987 . . . . 73.0 108.335 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.459 ' HE ' ' HG2' ' A' ' 56' ' ' LYS . 29.5 mmt180 -91.35 -11.35 38.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.916 0.389 . . . . 71.11 111.465 -170.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 178.01 145.22 5.85 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.21 -0.756 . . . . 55.3 111.21 177.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.5 t -154.81 139.66 17.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.055 0.455 . . . . 75.3 110.307 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.459 ' HB ' HG11 ' A' ' 90' ' ' VAL . 38.6 pt -134.9 171.22 18.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.677 -0.692 . . . . 74.01 110.234 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.508 ' HB3' ' HD3' ' A' ' 73' ' ' LYS . 8.8 t -120.88 132.28 54.88 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.783 -0.451 . . . . 73.04 109.783 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.585 ' HG ' HG12 ' A' ' 112' ' ' ILE . 4.2 mm? -77.82 -1.69 32.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.29 -0.414 . . . . 74.21 111.484 -176.19 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.4 m -66.02 -26.94 67.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.212 -0.449 . . . . 63.04 110.949 177.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.508 ' HD3' ' HB3' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -127.13 -10.33 5.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 72.03 111.554 -177.761 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.74 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -70.83 141.44 51.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.885 0.374 . . . . 53.53 111.454 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.5 t -106.16 126.4 61.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.069 -0.514 . . . . 63.45 110.438 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.438 HD11 ' CD1' ' A' ' 112' ' ' ILE . 59.4 mt -80.64 117.39 26.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.028 -0.533 . . . . 63.42 110.011 177.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.695 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 6.5 m -111.57 99.43 44.52 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 116.133 -0.485 . . . . 53.22 110.637 -177.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 77' ' ' THR . 32.7 Cg_endo -65.14 134.8 40.9 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.47 2.114 . . . . 61.53 112.201 -178.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -86.47 114.72 23.46 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.043 -0.725 . . . . 75.33 109.043 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -75.26 -30.4 60.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.76 0.314 . . . . 71.34 111.208 -173.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -70.07 -15.4 62.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.246 0.546 . . . . 73.11 109.812 174.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -115.5 -174.32 2.49 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.204 -1.036 . . . . 65.43 108.204 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -134.27 -19.44 1.94 Allowed 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.166 0.508 . . . . 71.35 109.923 178.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.779 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 59.1 m -122.46 1.42 9.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.741 -0.663 . . . . 61.15 110.951 -177.167 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.508 ' HB2' ' HG3' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -95.59 133.0 40.14 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.425 0.631 . . . . 52.11 111.081 -179.709 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -138.9 118.17 12.73 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.938 -1.028 . . . . 74.21 110.421 -174.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.695 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 12.9 t70 -90.28 119.3 30.47 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.814 -1.084 . . . . 74.25 110.11 -176.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.853 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 20.2 mm -96.73 110.24 24.48 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 N-CA-C 109.488 -0.56 . . . . 72.11 109.488 -178.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.8 p -115.45 123.32 48.3 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 119.767 -0.773 . . . . 74.03 111.506 -176.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.74 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 9.2 p -164.04 136.63 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.342 -0.845 . . . . 52.32 109.401 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.526 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 9.7 m120 60.02 23.55 12.71 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.019 0.378 . . . . 70.53 112.019 178.157 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.526 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 13.7 t70 75.09 -7.35 1.78 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.717 0.635 . . . . 70.1 111.285 -174.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.9 m -79.09 119.58 22.42 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.161 -0.681 . . . . 71.44 109.161 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.39 120.09 59.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.144 -0.48 . . . . 64.04 110.729 -175.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.853 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 35.2 m95 -115.09 106.84 14.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.955 0.407 . . . . 63.34 111.024 -175.216 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -83.18 94.23 7.82 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.581 -0.281 . . . . 73.44 110.687 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.14 153.01 17.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.368 -0.378 . . . . 75.15 110.097 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.508 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 7.1 ttp85 -149.67 146.68 27.39 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.887 -0.412 . . . . 75.11 109.887 176.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.779 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . . . -68.19 152.8 44.93 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.055 174.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.865 ' HG2' ' HB3' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -70.95 -68.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.977 -0.379 . . . . 73.44 109.977 -176.539 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.527 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 28.2 t70 -167.6 -61.86 0.01 OUTLIER Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.307 -0.406 . . . . 62.11 111.038 175.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.527 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 60.1 Cg_endo -76.21 -30.31 5.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 121.551 1.501 . . . . 70.12 109.755 170.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.865 ' HB3' ' HG2' ' A' ' 100' ' ' GLN . 4.9 t70 -65.06 145.31 56.48 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 113.661 -1.608 . . . . 73.52 108.796 170.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.47 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 42.6 m80 -143.19 -178.37 5.82 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 121.22 -0.192 . . . . 71.42 111.066 -177.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.447 ' H ' ' HD2' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -53.83 -26.42 24.24 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.894 0.701 . . . . 64.12 112.894 -171.58 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -56.67 -24.3 47.88 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.032 0.382 . . . . 65.11 112.032 -174.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.494 ' HG3' ' OD2' ' A' ' 103' ' ' ASP . 72.6 mm-40 -57.49 -48.47 79.13 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.223 0.535 . . . . 73.34 109.634 177.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.511 ' CH2' ' HG2' ' A' ' 26' ' ' ARG . 13.9 m95 -72.09 -48.38 44.44 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.33 -0.85 . . . . 72.45 109.426 -174.609 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 26.5 mm -56.01 -56.28 13.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.178 -0.919 . . . . 61.15 110.316 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -60.48 -50.87 71.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.752 -0.658 . . . . 62.42 111.297 -177.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.96 -55.13 34.11 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.194 0.521 . . . . 65.52 111.031 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.585 HG12 ' HG ' ' A' ' 71' ' ' LEU . 61.1 mt -65.89 -51.88 55.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.994 -0.548 . . . . 73.14 111.396 -175.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -60.43 -29.25 68.89 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.05 0.389 . . . . 73.32 112.05 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -86.33 -23.19 26.33 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.709 -0.396 . . . . 74.24 111.778 177.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.566 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 58.1 m-70 -94.58 -18.22 21.61 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.506 0.928 . . . . 64.23 113.506 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.48 ' O ' ' HE3' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -63.26 160.88 14.81 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.114 0.483 . . . . 74.33 111.948 -177.234 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.633 -1.175 . . . . 75.05 109.193 -176.172 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 110.384 -0.228 . . . . 75.44 110.384 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.406 ' CD ' ' HE2' ' A' ' 115' ' ' HIS . 11.2 mm-40 -76.48 -55.02 5.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.431 0.634 . . . . 71.3 110.122 -178.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.718 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 7.4 tpm_? -136.8 121.24 18.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.685 -0.689 . . . . 63.5 110.494 175.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.2 p -127.46 116.97 21.24 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.245 -1.02 . . . . 70.51 108.245 170.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.54 169.88 40.81 Favored Glycine 0 CA--C 1.506 -0.506 0 C-N-CA 119.746 -1.216 . . . . 74.51 112.713 -178.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.61 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 5.4 m -92.24 136.21 25.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.445 0.64 . . . . 75.11 111.804 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.8 tp -108.13 118.91 38.0 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.96 -1.018 . . . . 73.04 108.914 175.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -88.46 102.05 14.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.933 -0.576 . . . . 74.31 110.491 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.547 ' HE3' ' CZ3' ' A' ' 33' ' ' TRP . 32.3 tptt -152.88 -175.43 5.31 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.741 -0.837 . . . . 75.35 108.741 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.547 ' CZ3' ' HE3' ' A' ' 32' ' ' LYS . 33.0 p90 -70.66 70.04 0.45 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 122.515 1.15 . . . . 71.51 111.804 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.75 ' HB ' ' HB3' ' A' ' 41' ' ' GLN . 52.1 m -62.77 -32.26 73.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.784 -1.098 . . . . 61.24 109.038 171.037 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -138.79 143.83 39.1 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 114.299 -1.319 . . . . 72.14 108.736 174.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.472 ' O ' ' HB2' ' A' ' 33' ' ' TRP . 68.4 m-85 65.4 -168.23 0.21 Allowed 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.427 0.455 . . . . 72.21 110.604 -176.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 66.6 mt -116.2 -50.69 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.225 0.536 . . . . 65.22 109.959 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -74.2 -38.44 63.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.769 -0.65 . . . . 73.3 110.149 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.97 157.9 52.71 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.756 -0.735 . . . . 70.12 111.753 177.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -133.53 150.02 51.68 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.676 0.274 . . . . 72.02 110.282 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.75 ' HB3' ' HB ' ' A' ' 34' ' ' THR . 7.6 tt0 -138.8 165.05 28.02 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.123 -1.065 . . . . 75.04 108.123 171.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.61 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 8.2 p-10 -93.25 132.37 37.49 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.097 0.475 . . . . 72.01 110.291 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.465 ' HD2' ' CD2' ' A' ' 54' ' ' TYR . 25.4 ptt180 -122.76 150.72 42.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.842 -0.617 . . . . 75.03 109.737 177.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.438 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 61.9 t-105 -92.49 116.99 29.48 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.726 -0.389 . . . . 65.51 110.938 -171.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.1 m -110.61 140.12 31.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.145 0.497 . . . . 62.23 110.775 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 42.1 t -131.59 124.71 54.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.314 -0.857 . . . . 70.3 111.045 -177.099 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.1 tp -109.37 127.42 54.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.047 -0.524 . . . . 54.4 110.224 176.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -163.22 156.92 19.75 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.62 -0.264 . . . . 63.42 110.418 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.692 ' O ' ' HB3' ' A' ' 115' ' ' HIS . 89.1 m-20 70.42 -74.29 0.09 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.729 0.812 . . . . 71.12 110.563 -179.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.496 ' ND2' ' HA ' ' A' ' 116' ' ' LYS . 62.4 t30 -176.71 22.71 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 106.543 -1.651 . . . . 63.12 106.543 171.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.19 147.02 51.87 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.064 -1.425 . . . . 72.55 110.306 -173.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 68' ' ' SER . 30.9 tp -113.95 133.76 55.27 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.838 -0.619 . . . . 74.4 109.948 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 m -127.23 166.52 17.58 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.034 -0.53 . . . . 73.43 109.599 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.465 ' CD2' ' HD2' ' A' ' 43' ' ' ARG . 1.4 p90 -150.25 150.7 31.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.324 0.583 . . . . 64.11 111.257 175.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -131.22 179.64 5.89 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.798 -1.092 . . . . 72.34 108.548 -178.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HB2' ' CD1' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -64.43 -44.37 91.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.627 0.251 . . . . 74.42 111.566 177.915 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.7 t -162.74 -171.32 2.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.555 -0.293 . . . . 72.45 110.45 -176.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.619 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 22.7 tt0 -54.57 -37.14 65.13 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.036 0.754 . . . . 72.52 113.036 -173.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.596 ' OD1' ' HG2' ' A' ' 62' ' ' GLU . 11.4 t70 -47.58 -46.06 27.77 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.472 0.545 . . . . 70.21 112.472 -174.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.619 ' HG3' ' O ' ' A' ' 58' ' ' GLU . 38.5 mt-10 62.98 -51.42 0.19 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.476 1.11 . . . . 73.44 113.774 -176.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.1 t -61.33 -40.22 93.44 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.288 0.847 . . . . 65.33 113.288 -166.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.596 ' HG2' ' OD1' ' A' ' 59' ' ' ASP . 11.0 pt-20 -89.87 6.85 40.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.49 0.662 . . . . 63.21 110.103 -179.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.54 ' CE2' ' HB3' ' A' ' 59' ' ' ASP . 22.4 m-85 -108.12 -33.12 7.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.198 -0.91 . . . . 55.44 110.131 178.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.02 -86.27 1.28 Allowed Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.218 -0.753 . . . . 54.41 111.218 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.2 t -172.13 133.2 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.537 -0.912 . . . . 71.1 108.537 174.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.55 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 9.9 mmm180 -96.38 -33.17 12.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.013 0.435 . . . . 62.32 110.909 -176.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -169.57 155.6 25.84 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.728 -0.748 . . . . 50.31 111.808 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 51.7 p -155.81 134.6 11.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.529 0.204 . . . . 65.33 110.784 -178.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.41 HD13 ' CD1' ' A' ' 95' ' ' TRP . 42.7 pt -127.46 157.07 39.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.38 -0.373 . . . . 64.14 110.359 178.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.527 ' HB3' ' HE2' ' A' ' 73' ' ' LYS . 39.7 t -102.53 133.45 47.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.868 0.366 . . . . 72.23 110.124 177.195 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.566 HD13 ' HB3' ' A' ' 74' ' ' ALA . 4.3 mm? -80.66 4.78 17.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.239 -0.437 . . . . 44.32 111.279 -178.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.2 t -77.89 -23.24 48.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.925 0.393 . . . . 62.2 110.241 177.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.527 ' HE2' ' HB3' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -133.21 11.23 4.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.308 -0.405 . . . . 73.31 111.126 177.635 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.566 ' HB3' HD13 ' A' ' 71' ' ' LEU . . . -94.73 128.49 41.45 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.427 -0.583 . . . . 71.01 109.427 175.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.4 t -90.56 123.67 42.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.853 0.359 . . . . 73.14 111.173 -176.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.445 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 57.1 mt -82.38 104.63 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.12 -0.491 . . . . 72.33 110.021 174.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.814 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 8.9 m -98.3 104.56 23.9 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 116.074 -0.512 . . . . 62.12 110.337 177.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 76' ' ' ILE . 33.7 Cg_exo -61.44 128.87 26.14 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.516 2.144 . . . . 74.04 111.781 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.785 ' HB3' ' HB3' ' A' ' 85' ' ' ARG . 4.4 t60 -86.48 141.28 29.21 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.757 -0.831 . . . . 75.33 108.757 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -93.59 -42.82 9.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.994 0.426 . . . . 40.34 111.161 -174.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -60.51 -26.21 66.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.661 -0.7 . . . . 73.41 110.563 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.765 ' HB3' ' HB2' ' A' ' 85' ' ' ARG . 26.1 t0 -128.99 121.84 28.81 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 108.894 -0.78 . . . . 72.42 108.894 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.53 -19.18 60.97 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 123.68 0.612 . . . . 73.03 110.357 -176.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.712 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 67.2 m -103.84 -2.96 25.5 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.685 -0.689 . . . . 62.41 111.135 -177.192 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.785 ' HB3' ' HB3' ' A' ' 79' ' ' HIS . 1.4 tpp180 -87.63 136.84 32.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 64.22 111.966 -177.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.757 ' HE2' ' HB2' ' A' ' 105' ' ' ARG . 42.2 m-85 -135.39 125.52 26.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.23 0.538 . . . . 72.11 110.676 174.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.814 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 9.4 t70 -92.49 103.08 15.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.171 -0.922 . . . . 70.15 110.019 -178.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.835 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 29.0 mm -91.04 93.07 4.17 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 CA-C-N 115.839 -0.619 . . . . 72.51 110.207 -178.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.26 107.82 17.72 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 121.816 0.817 . . . . 60.41 112.186 -174.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.675 HG22 ' H ' ' A' ' 91' ' ' ASN . 9.8 p -100.24 -174.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 106.66 -1.607 . . . . 54.12 106.66 167.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.675 ' H ' HG22 ' A' ' 90' ' ' VAL . 1.3 p-10 -55.72 121.39 9.04 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 118.794 0.725 . . . . 65.1 110.865 175.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.7 t70 75.32 -39.78 0.41 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.286 -1.324 . . . . 72.52 112.693 173.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.4 m -97.13 122.33 40.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 75.41 111.732 -171.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.9 t -118.0 121.4 67.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.962 -0.563 . . . . 63.12 110.077 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.835 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 30.4 m95 -112.72 105.21 13.3 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.677 0.275 . . . . 72.1 110.648 -175.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -80.67 83.76 6.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.422 -0.354 . . . . 74.0 110.262 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.1 mt -84.46 161.21 20.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.118 -0.492 . . . . 72.14 109.909 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.482 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 5.2 ttt180 -157.3 151.93 25.38 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.874 -0.33 . . . . 72.55 110.432 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.712 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . . . -62.53 139.94 58.62 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.39 -0.596 . . . . 62.41 109.39 171.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.8 -66.9 0.65 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.281 -0.418 . . . . 63.42 110.772 -174.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.806 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 12.4 t70 -171.91 -57.79 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.1 -0.5 . . . . 64.14 110.477 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.806 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 5.8 Cg_exo -79.49 -46.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.02 1.813 . . . . 73.43 110.652 172.192 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.478 ' HB3' ' HG3' ' A' ' 107' ' ' GLN . 6.4 m-20 -70.23 123.43 21.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.159 -0.928 . . . . 65.51 110.281 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.67 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 30.8 m170 -81.53 163.77 22.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.013 -0.54 . . . . 70.42 110.191 -177.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.757 ' HB2' ' HE2' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -59.07 -25.67 63.96 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 112.143 0.423 . . . . 54.32 112.143 -175.865 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.426 ' HA ' HG12 ' A' ' 109' ' ' ILE . 5.7 pt20 -64.2 -5.62 5.26 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.99 0.367 . . . . 64.1 111.99 -179.129 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.67 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 12.7 mm100 -51.42 -46.73 63.04 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.109 -0.7 . . . . 70.41 109.109 170.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.718 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 14.1 m95 -68.83 -46.84 67.52 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.347 -0.842 . . . . 73.21 109.281 -176.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.426 HG12 ' HA ' ' A' ' 106' ' ' GLN . 23.8 mm -57.49 -60.4 2.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.147 -0.933 . . . . 72.51 110.289 -177.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.8 -51.55 69.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.242 -0.435 . . . . 73.41 110.997 -176.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.11 -57.68 11.52 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.968 0.413 . . . . 72.34 111.031 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 49.8 mt -62.96 -53.07 51.3 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.66 0 CA-C-N 116.412 -0.358 . . . . 71.42 110.942 -176.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -55.73 -36.0 66.77 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.704 0.288 . . . . 72.32 111.599 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -76.85 -30.36 56.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.742 0.306 . . . . 54.13 111.172 177.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.692 ' HB3' ' O ' ' A' ' 49' ' ' ASN . 10.0 m-70 -90.15 -20.26 23.29 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.805 1.039 . . . . 74.51 113.805 -175.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.496 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -76.68 159.09 30.51 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.588 0.709 . . . . 43.32 112.221 -176.658 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 46.4 p . . . . . 0 C--O 1.25 1.104 0 CA-C-N 114.803 -1.09 . . . . 62.11 110.543 -177.037 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.414 HG22 ' HD3' ' A' ' 48' ' ' LYS . 39.6 t . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 121.075 0.464 . . . . 60.3 110.021 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.412 ' OE1' ' HA ' ' A' ' 48' ' ' LYS . 4.6 mp0 -97.07 -46.54 6.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.794 -0.639 . . . . 45.32 111.64 -172.098 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 3.9 tpm_? -141.67 122.95 14.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.44 -0.346 . . . . 62.41 110.451 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.2 p -146.52 101.75 3.5 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.26 174.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.96 167.67 39.53 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.63 -0.795 . . . . 50.15 112.363 -176.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.857 HG13 ' HE3' ' A' ' 44' ' ' TRP . 2.9 m -84.79 132.85 30.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.529 0.681 . . . . 72.5 111.74 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.563 HD22 HD13 ' A' ' 97' ' ' LEU . 61.7 tp -110.75 126.72 54.88 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.098 -0.955 . . . . 74.3 109.353 177.24 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.56 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 14.4 p -85.76 114.9 23.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.939 0.399 . . . . 40.33 110.817 178.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HE3' ' CE3' ' A' ' 33' ' ' TRP . 48.2 tptt -148.19 159.85 43.53 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.742 -0.836 . . . . 61.44 108.742 178.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -61.7 145.04 53.59 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.009 0.433 . . . . 74.21 110.257 -176.54 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.35 -138.83 0.38 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.741 -0.663 . . . . 65.12 109.579 -176.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -84.71 18.63 2.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.264 0.555 . . . . 65.15 110.73 178.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -138.33 137.95 37.87 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.692 -0.855 . . . . 61.24 108.692 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.456 HG23 ' H ' ' A' ' 38' ' ' HIS . 5.7 tp -54.57 -57.25 6.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 112.939 0.718 . . . . 64.53 112.939 -172.032 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.456 ' H ' HG23 ' A' ' 37' ' ' ILE . 8.3 p80 -95.33 17.05 15.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.462 0.649 . . . . 74.14 109.743 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -97.0 65.83 0.94 Allowed Glycine 0 N--CA 1.442 -0.966 0 CA-C-N 115.384 -0.826 . . . . 70.51 112.04 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 25.8 p90 -74.82 112.37 10.96 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.357 -0.609 . . . . 71.32 109.357 174.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.56 ' O ' ' HA ' ' A' ' 31' ' ' SER . 16.8 mm-40 -109.52 176.29 5.13 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.09 -0.505 . . . . 55.43 110.845 -175.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.627 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 42.2 m-20 -103.96 116.31 32.02 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.115 -0.948 . . . . 73.55 109.878 -178.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.72 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 11.6 ptm180 -107.94 132.52 53.4 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.704 -0.68 . . . . 74.11 109.662 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.857 ' HE3' HG13 ' A' ' 29' ' ' VAL . 68.5 t-105 -81.07 110.1 16.27 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.506 -0.553 . . . . 70.44 109.506 -176.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.601 HG11 HD11 ' A' ' 97' ' ' LEU . 3.0 t -108.65 128.34 64.43 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-O 121.21 0.529 . . . . 73.45 111.101 -173.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.574 ' O ' HD12 ' A' ' 52' ' ' LEU . 45.9 t -124.52 125.14 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.238 -0.892 . . . . 72.45 111.082 -178.117 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.456 HD23 HD13 ' A' ' 52' ' ' LEU . 3.3 tm? -121.9 119.45 31.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.813 -0.63 . . . . 70.44 109.839 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' HD3' HG22 ' A' ' 24' ' ' VAL . 23.2 pttm -174.88 179.66 1.59 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.237 0.335 . . . . 75.11 111.069 175.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 62.68 -75.92 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.45 0.7 . . . . 34.35 111.185 -175.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 52.6 t30 -179.75 28.72 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 105.811 -1.922 . . . . 71.03 105.811 172.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -139.31 151.35 46.34 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 113.987 -1.46 . . . . 71.01 110.662 -173.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 46' ' ' VAL . 62.5 tp -120.28 132.15 55.2 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.789 -1.096 . . . . 74.41 108.711 177.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.523 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 20.3 m -141.67 135.38 29.84 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.414 -0.357 . . . . 64.34 110.08 -174.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.72 ' HD2' ' HB2' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -127.06 154.7 44.35 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.421 -0.512 . . . . 75.12 110.841 -179.127 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.431 ' CD1' ' HD1' ' A' ' 44' ' ' TRP . 10.1 m-85 -135.02 175.26 9.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.432 -0.803 . . . . 70.3 109.792 -172.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' A' ' 56' ' ' LYS . 3.4 mmpt? -61.85 -53.01 61.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 71.12 111.319 178.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.562 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 69.9 m -154.75 -164.25 1.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.63 -0.259 . . . . 70.45 110.726 -178.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -66.81 -33.64 76.06 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.331 0.493 . . . . 75.24 112.331 -168.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -78.14 53.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 122.184 0.993 . . . . 74.33 109.262 175.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG3' ' H ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -52.73 -20.36 3.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.048 -1.433 . . . . 73.34 113.728 -177.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.7 t -64.77 -45.63 85.56 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.611 0.226 . . . . 74.41 111.611 -178.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -86.96 -24.79 24.62 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.224 0.535 . . . . 64.25 110.393 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 18.5 m-85 -78.31 -23.41 47.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.122 -0.49 . . . . 74.43 111.697 -175.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.36 153.12 3.78 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.998 -0.62 . . . . 70.32 113.211 173.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.4 p -71.92 104.59 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.44 0.638 . . . . 65.15 110.395 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.443 ' HA ' ' HD3' ' A' ' 66' ' ' ARG . 20.4 mmt180 -77.26 -40.62 44.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.24 -0.891 . . . . 72.34 110.464 -177.11 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.523 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -134.98 130.46 5.48 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 110.515 -1.034 . . . . 61.12 110.515 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.4 p -144.59 115.28 7.72 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.17 0.509 . . . . 74.12 110.277 -176.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.438 HD13 ' CD1' ' A' ' 95' ' ' TRP . 18.7 pt -121.22 151.42 24.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.898 -0.592 . . . . 72.22 111.654 -177.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 67.7 m -99.35 122.9 43.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.222 -0.899 . . . . 53.24 109.549 178.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.0 HD23 HG12 ' A' ' 112' ' ' ILE . 7.9 mp -85.98 27.24 0.91 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.803 -0.635 . . . . 75.22 111.288 -173.224 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.8 m -78.38 -28.95 47.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.805 -0.634 . . . . 44.53 110.051 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.72 14.69 3.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.575 -0.739 . . . . 73.42 110.582 -177.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.818 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -71.74 124.85 25.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.763 -0.653 . . . . 74.0 110.743 177.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.8 t -85.39 119.2 33.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.842 -0.617 . . . . 75.12 110.569 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.3 mt -80.68 108.84 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.26 0.552 . . . . 73.22 109.855 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.7 m -113.5 108.02 52.56 Favored Pre-proline 0 C--N 1.316 -0.868 0 CA-C-N 115.423 -0.808 . . . . 73.15 111.175 -174.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -59.9 131.19 38.26 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.047 1.831 . . . . 72.22 110.681 174.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -76.96 153.45 34.58 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.965 -0.694 . . . . 75.53 109.972 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.15 -69.28 0.54 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.99 -0.55 . . . . 74.21 111.113 -172.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -70.62 -34.86 72.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.152 0.501 . . . . 62.4 111.071 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.485 ' HB2' ' HB3' ' A' ' 85' ' ' ARG . 7.7 m-20 -98.45 113.68 25.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.016 -0.538 . . . . 73.11 109.884 -177.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -82.35 -27.12 32.36 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.124 0.488 . . . . 65.14 110.903 -176.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 98' ' ' ARG . 20.1 m -86.69 1.2 52.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.342 0.591 . . . . 65.12 109.556 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.837 ' HD2' ' HB3' ' A' ' 96' ' ' TYR . 9.7 tpp180 -104.87 129.35 53.22 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.989 -1.005 . . . . 72.5 111.193 -175.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.517 ' CE1' ' HG3' ' A' ' 105' ' ' ARG . 5.4 m-85 -127.92 125.84 40.35 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.255 -0.884 . . . . 74.32 109.027 174.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.508 ' HA ' ' O ' ' A' ' 95' ' ' TRP . 27.4 t0 -102.21 129.07 48.5 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.023 -0.989 . . . . 64.13 111.002 -173.077 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.61 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 4.3 mp -104.73 106.77 21.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 CA-C-N 114.658 -1.156 . . . . 72.44 109.372 -176.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.8 m -106.74 116.38 31.83 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.434 0.635 . . . . 73.43 111.352 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.818 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 11.5 p -159.16 145.76 7.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 108.554 -0.906 . . . . 62.35 108.554 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 12.3 m120 63.94 21.16 12.52 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.456 0.169 . . . . 74.35 111.456 177.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 31.4 t70 72.05 -1.07 3.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.438 0.637 . . . . 54.31 110.669 -172.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.3 m -89.28 128.29 35.85 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 109.659 -0.497 . . . . 63.01 109.659 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.4 t -110.28 122.73 65.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.706 -0.679 . . . . 72.21 110.426 -175.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.666 ' HZ3' ' HB3' ' A' ' 54' ' ' TYR . 44.0 m95 -119.46 101.59 8.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.776 0.322 . . . . 74.44 111.858 -174.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.837 ' HB3' ' HD2' ' A' ' 85' ' ' ARG . 52.6 m-85 -83.83 91.94 7.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.599 -0.273 . . . . 71.42 110.908 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.601 HD11 HG11 ' A' ' 45' ' ' VAL . 4.3 mm? -96.32 159.69 14.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.74 0.305 . . . . 71.11 110.988 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 3.2 mtm180 -135.33 149.77 49.82 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.03 -0.359 . . . . 75.3 110.03 176.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.84 142.69 51.24 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.8 -0.444 . . . . 41.01 109.8 175.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.458 ' CD ' ' H ' ' A' ' 100' ' ' GLN . 1.0 OUTLIER -54.41 -56.72 15.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 72.32 110.336 -178.023 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -104.62 138.97 19.66 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 108.805 -0.813 . . . . 62.33 108.805 168.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -26.69 -92.95 0.0 OUTLIER 'Trans proline' 0 CA--C 1.534 0.521 1 C-N-CA 125.698 4.265 . . . . 64.03 116.986 -164.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -100.28 96.57 7.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.795 0.807 . . . . 54.31 112.988 -167.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.405 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 8.3 p-80 -173.29 55.11 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 122.578 1.18 . . . . 75.41 108.352 168.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.517 ' HG3' ' CE1' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -70.1 -2.09 11.9 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 114.797 -1.092 . . . . 73.53 112.435 -171.023 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -53.26 -17.33 1.68 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.424 -0.353 . . . . 75.43 111.836 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -50.83 -52.42 41.46 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.075 0.464 . . . . 74.44 110.338 173.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.437 ' O ' HG13 ' A' ' 112' ' ' ILE . 14.6 m95 -71.91 -42.88 66.21 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.565 -0.743 . . . . 73.11 109.62 -174.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 28.1 mm -58.77 -60.73 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.365 -0.834 . . . . 75.14 109.98 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -54.41 -48.0 72.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.819 -0.628 . . . . 63.13 111.401 -179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.96 -62.29 1.75 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.465 -0.334 . . . . 74.14 110.928 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 1.0 HG12 HD23 ' A' ' 71' ' ' LEU . 26.1 mt -62.88 -50.37 79.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.624 0 C-N-CA 121.049 -0.26 . . . . 75.11 110.859 -175.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.579 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 7.6 mm-40 -55.06 -37.98 67.44 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.848 0.356 . . . . 72.01 111.69 -177.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -85.58 -17.65 35.64 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.811 0.339 . . . . 70.33 111.461 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -91.43 -29.84 16.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.305 0.854 . . . . 72.33 113.305 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.621 ' C ' ' HE3' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -86.24 179.45 6.91 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.436 -0.506 . . . . 73.11 111.439 -176.483 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 C--O 1.251 1.138 0 CA-C-N 115.977 -0.556 . . . . 74.12 110.09 -178.307 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 p . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 121.163 0.506 . . . . 64.4 111.117 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.781 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 9.2 pt-20 -70.67 145.75 50.39 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.911 -1.041 . . . . 71.11 111.103 175.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 2.8 tpm_? -110.16 111.57 22.99 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.428 -0.953 . . . . 55.03 108.428 165.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.619 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 2.3 p -118.8 109.21 15.78 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 123.573 0.546 . . . . 61.43 110.218 -177.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -161.58 161.89 33.51 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.337 -0.935 . . . . 62.33 112.415 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.866 HG13 ' HE3' ' A' ' 44' ' ' TRP . 0.3 OUTLIER -88.18 133.17 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.733 0.778 . . . . 74.54 111.709 179.793 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.44 HD22 HD22 ' A' ' 97' ' ' LEU . 57.6 tp -104.56 119.86 39.95 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.76 -1.109 . . . . 55.12 109.576 177.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.8 m -83.56 98.92 9.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.852 -0.613 . . . . 62.14 109.907 176.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' HE3' ' CD1' ' A' ' 96' ' ' TYR . 25.5 tptp -137.4 137.54 38.93 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.496 -0.557 . . . . 72.25 109.496 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.956 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 43.2 p90 -59.21 126.63 28.47 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.716 0.77 . . . . 75.53 110.342 -177.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.518 ' OG1' ' HB2' ' A' ' 41' ' ' GLN . 54.5 m -118.48 -37.27 3.34 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.684 -1.144 . . . . 71.21 111.474 -167.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.904 ' HB3' ' HB2' ' A' ' 38' ' ' HIS . 25.1 t-20 -142.33 152.81 43.29 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.31 -0.405 . . . . 71.33 110.271 -177.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -55.74 -61.12 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.973 0.416 . . . . 73.5 111.496 -178.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.3 tt -88.32 -2.66 9.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.405 0.621 . . . . 42.23 111.185 -171.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.904 ' HB2' ' HB3' ' A' ' 35' ' ' ASN . 60.3 m-70 -101.43 -20.45 15.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.149 -0.478 . . . . 71.15 111.167 177.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.08 -136.83 20.35 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.718 -0.753 . . . . 72.43 112.193 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.956 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 49.2 p90 -89.24 131.25 35.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.012 0.434 . . . . 72.41 110.307 179.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.518 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 2.0 mp0 -106.22 157.51 17.53 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.806 -0.442 . . . . 64.1 109.806 177.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.443 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 16.1 m-20 -106.49 96.12 6.23 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.507 -0.77 . . . . 72.14 109.335 -178.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.509 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 16.7 ptp180 -93.37 139.24 30.89 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.413 -0.812 . . . . 75.45 110.387 -175.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.866 ' HE3' HG13 ' A' ' 29' ' ' VAL . 67.3 t-105 -94.05 112.12 23.91 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.487 -0.485 . . . . 74.1 110.747 -171.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.744 HG21 HD11 ' A' ' 97' ' ' LEU . 17.1 m -105.25 142.78 17.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 120.924 0.393 . . . . 72.42 110.917 -174.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 52.9 t -131.03 117.04 35.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.491 -0.777 . . . . 61.35 110.804 178.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.781 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 5.7 tt -108.24 105.83 15.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.458 -0.337 . . . . 72.42 110.152 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 49' ' ' ASN . 57.6 tttt -162.3 168.38 22.37 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.814 -0.439 . . . . 63.43 109.814 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.4 ' N ' ' HG2' ' A' ' 48' ' ' LYS . 87.6 m-20 71.38 -72.63 0.11 Allowed 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.17 -0.678 . . . . 62.22 109.17 -172.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.624 ' HA ' ' HB3' ' A' ' 115' ' ' HIS . 57.4 t30 177.5 23.78 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.207 -1.405 . . . . 75.21 107.207 170.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -133.86 147.14 51.14 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 114.658 -1.155 . . . . 51.13 110.175 -176.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.635 HD13 ' HB2' ' A' ' 47' ' ' LEU . 63.8 tp -109.81 125.56 52.86 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.619 -0.882 . . . . 74.53 108.619 173.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 8.6 m -133.87 131.85 39.65 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.022 -0.535 . . . . 65.32 109.751 -172.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.509 ' HD2' ' HB2' ' A' ' 43' ' ' ARG . 3.6 p90 -116.35 152.91 32.95 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.001 -0.68 . . . . 74.14 111.448 -177.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -122.85 170.53 10.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.073 -0.967 . . . . 75.14 108.877 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 63' ' ' TYR . 3.4 tmtp? -60.28 -43.04 96.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.806 -0.633 . . . . 73.54 110.591 -178.196 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.635 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 41.2 m -154.72 -178.99 7.59 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.572 -0.285 . . . . 72.34 110.891 -178.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 38.8 tt0 -59.32 -29.43 67.63 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.947 0.721 . . . . 64.33 112.947 -172.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.625 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 12.6 t70 -56.21 -31.61 63.64 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.808 0.299 . . . . 75.52 111.808 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 58' ' ' GLU . 30.6 mt-10 63.22 -65.35 0.1 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.143 0.977 . . . . 73.14 113.387 -177.009 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.7 t -57.47 -50.01 74.42 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.824 1.046 . . . . 51.33 113.824 -163.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.576 ' HG2' ' OD2' ' A' ' 59' ' ' ASP . 8.1 pt-20 -84.92 1.46 47.18 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.426 -0.51 . . . . 72.22 111.215 -175.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.635 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 38.3 m-85 -104.62 -29.77 10.41 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.193 -0.458 . . . . 74.11 111.046 -179.149 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.55 162.22 13.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.081 -0.58 . . . . 71.1 112.908 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.8 p -76.66 115.73 16.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.289 0.566 . . . . 73.12 109.886 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -88.6 -22.78 23.32 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.683 -0.69 . . . . 65.21 111.261 -174.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -167.41 149.64 15.19 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.498 -0.641 . . . . 43.45 111.498 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.475 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 12.6 p -150.96 127.59 10.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.834 0.35 . . . . 31.54 110.632 -179.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.462 HD13 ' CD1' ' A' ' 95' ' ' TRP . 15.1 pt -118.4 148.87 20.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.242 -0.435 . . . . 75.14 110.908 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.9 m -91.63 117.55 29.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.545 -0.752 . . . . 75.25 110.502 -178.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.776 ' HB3' HG23 ' A' ' 112' ' ' ILE . 4.1 mm? -80.34 68.53 6.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.261 0.553 . . . . 75.31 111.262 -178.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 m -126.08 -62.89 1.14 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.814 -0.63 . . . . 72.25 109.823 176.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 18.46 22.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.098 0.475 . . . . 72.21 110.323 175.011 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.533 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -76.79 113.71 14.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.641 -0.709 . . . . 60.43 109.287 174.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.1 t -76.83 118.89 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.183 -0.462 . . . . 74.42 111.48 -172.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.581 HG23 ' HD2' ' A' ' 86' ' ' PHE . 59.4 mt -84.63 108.37 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.733 -0.667 . . . . 63.22 110.022 177.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.409 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 23.9 m -116.06 105.73 50.59 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 116.416 -0.357 . . . . 74.23 110.295 177.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 77' ' ' THR . 19.6 Cg_endo -58.49 140.36 94.35 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.235 1.956 . . . . 54.14 111.218 177.299 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.578 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 9.8 t60 -76.91 153.83 34.29 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.637 -0.425 . . . . 74.23 110.155 -174.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -80.69 -45.04 17.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.177 -0.465 . . . . 73.0 111.728 -174.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -85.55 -30.58 23.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.821 0.343 . . . . 73.12 111.243 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.774 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . 12.6 m-20 -95.61 114.55 26.32 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.153 -0.314 . . . . 71.13 110.153 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -79.59 -25.81 41.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.958 0.409 . . . . 64.35 110.396 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 37.1 m -91.11 -13.84 32.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.876 -0.602 . . . . 64.44 110.772 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.774 ' HB3' ' CB ' ' A' ' 82' ' ' ASP . 23.9 ttm180 -98.69 146.52 25.79 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.025 0.917 . . . . 75.0 112.123 -173.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.63 ' CE2' HD11 ' A' ' 88' ' ' ILE . 0.4 OUTLIER -131.39 139.97 49.57 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 113.933 -1.485 . . . . 65.24 109.099 176.354 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -102.84 126.75 50.11 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.545 -0.752 . . . . 73.51 109.783 -177.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.829 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 32.2 mm -103.12 109.93 28.26 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 CA-C-N 115.861 -0.609 . . . . 73.11 110.216 179.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.9 p -113.23 105.37 13.35 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.622 0.725 . . . . 61.43 110.798 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.533 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 6.3 p -136.65 120.59 23.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.501 -0.772 . . . . 63.43 110.461 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 63.2 22.28 13.28 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 111.6 0.222 . . . . 63.43 111.6 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.7 t70 75.35 6.57 4.09 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 123.305 0.642 . . . . 72.41 111.012 -174.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.0 m -84.95 110.96 19.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.41 -0.959 . . . . 62.21 108.41 169.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.8 t -104.77 126.26 59.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.243 -0.435 . . . . 74.24 111.184 -172.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.829 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 37.1 m95 -120.3 109.67 15.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.076 -0.511 . . . . 65.11 111.191 -178.322 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.418 ' CD1' ' HE3' ' A' ' 32' ' ' LYS . 12.0 m-85 -90.83 84.16 5.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.168 -0.469 . . . . 64.24 110.229 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.744 HD11 HG21 ' A' ' 45' ' ' VAL . 2.7 mm? -103.55 157.32 17.13 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.457 -0.497 . . . . 63.22 109.912 -176.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.65 ' HA ' ' HA ' ' A' ' 85' ' ' ARG . 12.9 ttm180 -142.97 144.0 32.17 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.527 -0.469 . . . . 63.43 110.825 -174.207 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.85 174.11 8.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.847 -0.615 . . . . 63.15 110.339 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -89.04 -11.26 44.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.076 -0.511 . . . . 64.0 110.4 -178.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.882 ' HB2' ' HB2' ' A' ' 104' ' ' HIS . 22.3 m-20 -140.9 148.34 51.94 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.908 -0.587 . . . . 62.12 109.954 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -65.92 -42.48 11.33 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.603 2.202 . . . . 73.44 111.28 177.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -77.66 -18.06 57.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.55 -0.75 . . . . 64.32 110.779 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.882 ' HB2' ' HB2' ' A' ' 101' ' ' ASP . 32.5 m170 -95.79 26.6 3.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.984 0.421 . . . . 71.31 111.101 -178.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -66.44 -22.46 66.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.63 0.728 . . . . 65.33 109.585 171.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -54.92 -19.37 6.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.755 -1.111 . . . . 72.13 112.325 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.72 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 8.6 mm100 -54.29 -41.64 69.15 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.024 0.44 . . . . 60.43 109.926 178.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 17.0 m95 -73.07 -43.58 61.71 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.468 -0.787 . . . . 73.23 109.92 -175.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.7 mm -60.73 -56.71 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 114.773 -1.103 . . . . 73.35 109.776 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -57.12 -46.96 82.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.77 -0.65 . . . . 74.01 111.112 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.06 -64.58 0.78 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.269 -0.423 . . . . 71.22 110.716 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.776 HG23 ' HB3' ' A' ' 71' ' ' LEU . 29.2 mt -62.24 -49.02 85.71 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 CA-C-N 116.586 -0.279 . . . . 65.11 110.82 -175.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.602 ' HA ' ' HE2' ' A' ' 116' ' ' LYS . 22.6 mm-40 -55.12 -34.24 63.54 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.298 0.481 . . . . 72.32 112.298 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -89.33 -15.3 33.74 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.858 0.361 . . . . 73.42 111.185 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.624 ' HB3' ' HA ' ' A' ' 50' ' ' ASN . 11.5 m-70 -90.73 -35.57 14.81 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.833 0.679 . . . . 73.11 112.833 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.752 ' HG3' ' O ' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -88.55 159.92 17.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.503 0.668 . . . . 75.51 111.984 -174.604 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.245 0.828 0 CA-C-N 115.001 -1.0 . . . . 63.21 110.149 -173.908 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.601 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 4.4 m . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 110.082 -0.34 . . . . 72.13 110.082 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.57 -55.16 6.67 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.531 -0.468 . . . . 74.5 110.491 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.59 118.4 36.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.95 -0.568 . . . . 65.34 110.449 -175.152 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.415 ' HB3' HG21 ' A' ' 24' ' ' VAL . 12.4 p -138.67 119.63 14.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.059 -0.519 . . . . 54.22 109.75 175.209 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -173.56 171.24 44.34 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 119.785 -1.198 . . . . 73.11 112.886 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.576 HG13 ' HE3' ' A' ' 44' ' ' TRP . 0.9 OUTLIER -89.61 134.72 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.664 0.745 . . . . 74.45 111.8 -179.452 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.432 HD23 ' HE ' ' A' ' 43' ' ' ARG . 61.1 tp -110.57 107.36 16.94 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.889 -1.05 . . . . 74.52 108.739 174.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.3 m -78.85 100.95 7.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.912 -0.585 . . . . 75.52 109.739 178.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -149.87 166.14 30.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.026 -0.534 . . . . 75.24 109.79 -176.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.554 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 3.6 m-90 -62.67 125.49 24.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.329 -0.396 . . . . 73.32 110.909 -177.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.5 p -109.61 -19.12 13.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.973 -0.558 . . . . 75.52 111.301 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -134.33 -51.38 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.418 . . . . 54.2 110.887 -177.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.402 ' CE1' ' HA3' ' A' ' 39' ' ' GLY . 3.0 p90 -146.9 171.96 14.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.089 -0.505 . . . . 71.02 109.999 -177.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.4 mm -70.53 -22.71 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 121.138 0.494 . . . . 75.24 111.71 -172.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -97.3 9.42 42.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.937 0.399 . . . . 74.52 110.396 173.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' HA3' ' CE1' ' A' ' 36' ' ' TYR . . . -126.46 74.63 0.42 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.926 -0.654 . . . . 74.43 112.429 -176.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.554 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 62.1 p-90 -93.77 139.51 30.76 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.904 0.383 . . . . 73.11 110.166 177.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -129.23 163.09 26.38 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.102 -0.499 . . . . 62.14 109.816 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.43 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 13.8 p-10 -96.75 106.19 18.44 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.684 0.754 . . . . 34.2 109.51 176.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.432 ' HE ' HD23 ' A' ' 30' ' ' LEU . 38.2 ptt180 -102.51 148.92 24.94 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.414 -0.812 . . . . 71.34 109.753 -177.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.576 ' HE3' HG13 ' A' ' 29' ' ' VAL . 65.8 t-105 -93.15 110.59 22.09 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 120.09 -0.644 . . . . 73.24 110.369 -172.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.9 m -103.19 141.49 18.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 121.285 0.564 . . . . 51.15 110.421 -176.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.533 ' O ' HD12 ' A' ' 52' ' ' LEU . 10.7 t -138.65 132.54 40.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.049 -0.978 . . . . 72.11 110.978 -173.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.2 tt -123.02 124.75 43.84 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.465 -0.568 . . . . 74.23 109.465 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.601 ' HD3' ' HA ' ' A' ' 24' ' ' VAL . 23.9 tptm -168.61 142.66 3.16 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.412 0.445 . . . . 62.41 110.414 178.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 59.69 27.51 16.78 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.835 0.454 . . . . 74.32 112.052 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.82 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 10.5 t-20 72.01 13.57 5.9 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.753 0.787 . . . . 74.21 110.319 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.67 127.27 56.07 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.506 -0.77 . . . . 62.54 109.392 174.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.69 HD23 HD11 ' A' ' 69' ' ' ILE . 46.4 tp -106.91 132.75 52.51 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.66 -0.867 . . . . 73.45 108.66 176.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.4 m -142.64 162.91 34.25 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 116.309 -0.405 . . . . 75.53 110.067 -174.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 95' ' ' TRP . 3.1 p90 -145.41 156.2 43.62 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.447 -0.501 . . . . 74.32 110.058 175.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -126.36 169.62 12.76 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.839 -0.8 . . . . 52.22 108.839 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . 2.9 mmmp? -56.8 -49.06 76.49 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 123.16 0.287 . . . . 52.32 111.734 -178.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.552 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 22.9 t -152.77 -169.04 3.22 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.768 -0.456 . . . . 74.32 109.768 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 35.9 tt0 -59.8 -33.32 71.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.306 0.642 . . . . 63.35 112.416 -172.299 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -81.73 46.86 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.47 0.652 . . . . 64.1 110.519 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -37.76 -35.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 114.48 1.289 . . . . 72.35 114.48 179.37 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.0 t -56.54 -36.36 69.15 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.37 0.507 . . . . 74.21 112.37 -177.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -95.53 -9.5 32.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.336 . . . . 74.15 111.06 -178.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.552 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 30.4 m-85 -94.75 -40.18 9.9 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.189 0.44 . . . . 64.11 112.189 -174.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.4 156.59 22.48 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.355 -0.926 . . . . 63.54 111.858 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.1 p -67.03 111.71 3.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.334 0.588 . . . . 75.2 111.383 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.496 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 9.9 mmm180 -71.28 -53.45 14.23 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.158 -0.928 . . . . 73.51 110.845 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -136.41 138.61 9.99 Favored Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 114.579 -1.191 . . . . 71.14 111.417 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 m -133.35 119.53 19.83 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.254 -0.276 . . . . 74.4 110.254 -177.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.69 HD11 HD23 ' A' ' 52' ' ' LEU . 15.9 pt -121.59 143.67 33.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.073 0.464 . . . . 63.11 110.727 177.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 65.0 m -96.83 129.58 44.24 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.776 -0.647 . . . . 44.14 110.035 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.086 HD13 HG12 ' A' ' 112' ' ' ILE . 86.0 mt -80.89 24.22 0.51 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.571 -0.741 . . . . 64.13 111.393 -175.474 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.7 m -80.21 -33.39 38.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.044 -0.525 . . . . 41.44 111.062 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.65 12.68 3.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 73.51 110.962 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.676 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -69.76 126.61 30.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.465 . . . . 72.51 110.252 177.312 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.3 t -86.59 111.97 22.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.135 0.493 . . . . 63.43 110.94 -175.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.1 mt -74.02 102.64 2.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.614 -0.721 . . . . 64.43 109.562 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.52 ' HB ' ' HB2' ' A' ' 87' ' ' ASP . 12.5 m -96.01 109.57 47.45 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.192 -0.458 . . . . 74.25 111.025 -177.254 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.85 116.28 4.38 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.407 2.071 . . . . 64.31 111.586 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -78.15 139.39 38.99 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.671 -0.492 . . . . 65.55 109.671 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -89.35 -44.09 10.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.867 0.365 . . . . 74.3 111.069 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -73.73 -12.42 60.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.106 -0.497 . . . . 73.34 110.823 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.657 ' HB2' ' HB3' ' A' ' 85' ' ' ARG . 31.7 m-20 -129.03 107.19 9.4 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.273 -0.64 . . . . 74.03 109.273 177.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.55 -20.76 59.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.912 0.387 . . . . 65.42 111.41 -173.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 19.7 m -98.16 1.27 47.28 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.466 -0.334 . . . . 65.02 110.869 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.657 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 67.4 ttt180 -108.59 148.47 30.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.022 0.915 . . . . 71.33 113.23 -167.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -139.32 126.86 21.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.711 -1.586 . . . . 72.12 109.756 175.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.52 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 18.9 m-20 -95.53 108.15 20.37 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.868 -0.419 . . . . 73.52 109.868 177.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.64 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 34.9 mm -83.93 96.65 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.032 -0.359 . . . . 71.2 110.032 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.464 ' HA ' ' HA ' ' A' ' 94' ' ' VAL . 5.9 p -103.37 112.59 25.54 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.315 0.579 . . . . 54.22 111.803 -175.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.676 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 7.7 p -141.93 128.27 19.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.636 -0.711 . . . . 65.01 110.074 177.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.497 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 5.6 m-20 60.31 33.01 20.89 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 111.587 0.217 . . . . 62.44 111.587 176.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.497 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 26.4 t70 76.06 -8.95 1.53 Allowed 'General case' 0 C--N 1.319 -0.751 0 O-C-N 123.896 0.748 . . . . 74.44 111.824 -177.207 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.0 m -85.25 101.93 12.92 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.479 -0.563 . . . . 64.11 109.479 175.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 89' ' ' SER . 4.2 p -99.69 122.74 51.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.469 0.652 . . . . 73.54 110.734 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.64 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 22.2 m95 -106.03 105.53 15.6 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.769 -0.65 . . . . 72.14 110.245 -176.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.19 89.73 4.28 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.83 -0.623 . . . . 53.33 110.11 -179.013 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.6 mt -100.55 149.85 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.854 0.359 . . . . 55.33 110.461 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.636 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 14.5 ttm-85 -137.27 147.47 45.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.907 -0.405 . . . . 74.43 109.907 177.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.73 161.72 30.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.136 0.493 . . . . 72.12 111.118 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.474 ' CD ' ' H ' ' A' ' 100' ' ' GLN . 0.1 OUTLIER -88.57 14.23 10.38 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.566 -0.743 . . . . 74.34 111.512 -176.348 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.634 ' HB2' ' HD2' ' A' ' 102' ' ' PRO . 6.8 p-10 -167.16 175.28 2.15 Favored Pre-proline 0 CA--C 1.535 0.377 0 N-CA-C 109.457 -0.572 . . . . 54.22 109.457 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.634 ' HD2' ' HB2' ' A' ' 101' ' ' ASP . 85.9 Cg_exo -48.28 -37.46 31.94 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 123.135 2.557 . . . . 72.25 113.845 -178.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -130.89 -145.26 0.27 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.044 -0.354 . . . . 74.03 110.044 178.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.637 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 56.9 m80 61.76 25.6 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.025 0.44 . . . . 64.03 110.889 -178.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.674 ' H ' ' HD3' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -73.5 -16.24 61.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.776 0.798 . . . . 75.13 109.126 174.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.486 ' HA ' HG12 ' A' ' 109' ' ' ILE . 14.1 pt20 -60.5 -6.25 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.131 -0.94 . . . . 70.41 111.545 174.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.637 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 85.0 mm-40 -50.78 -44.33 58.74 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.031 0.443 . . . . 64.12 109.873 170.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.4 ' O ' HG13 ' A' ' 112' ' ' ILE . 14.0 m95 -70.63 -41.78 71.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.693 -0.685 . . . . 75.12 109.408 -177.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.486 HG12 ' HA ' ' A' ' 106' ' ' GLN . 25.4 mm -60.02 -54.77 30.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.619 -0.718 . . . . 74.53 110.313 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 114' ' ' GLN . 21.0 t70 -58.36 -49.07 78.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.548 -0.751 . . . . 73.32 111.019 -178.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.49 -54.44 40.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.268 0.556 . . . . 70.44 111.014 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 1.086 HG12 HD13 ' A' ' 71' ' ' LEU . 66.0 mt -66.99 -49.15 76.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.074 -0.512 . . . . 75.25 111.49 -175.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.511 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 46.5 mm-40 -62.31 -34.1 75.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.723 0.297 . . . . 74.33 111.595 -178.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 2.9 mp0 -81.64 -21.45 38.21 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.924 -0.31 . . . . 71.25 111.058 178.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.82 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 25.0 m-70 -98.08 -0.62 44.15 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.771 0.656 . . . . 71.45 112.771 177.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.96 ' HE2' ' HA ' ' A' ' 116' ' ' LYS . 7.5 mmpt? -35.49 126.84 0.63 Allowed 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.528 0.936 . . . . 74.32 113.528 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.247 0.97 0 CA-C-N 114.25 -1.341 . . . . 71.22 109.096 -178.718 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.914 ' HB3' ' HB2' ' A' ' 48' ' ' LYS . 1.7 pm0 . . . . . 0 N--CA 1.44 -0.927 0 CA-C-O 121.313 0.578 . . . . 73.54 111.626 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.551 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 3.7 tpm_? -92.73 109.21 20.63 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.69 -1.226 . . . . 60.05 107.69 165.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.587 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 4.8 p -117.45 113.28 21.82 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.965 -0.561 . . . . 65.34 109.863 -177.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -161.92 170.66 37.65 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.091 -1.052 . . . . 63.24 112.478 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.827 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 1.3 m -95.57 133.25 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.545 0.688 . . . . 72.2 111.49 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.527 HD23 ' HE ' ' A' ' 43' ' ' ARG . 54.5 tp -112.83 115.3 28.26 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.826 -1.079 . . . . 45.13 109.706 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 16.1 m -74.65 102.71 4.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.903 0.382 . . . . 74.22 110.689 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.4 tptt . . . . . 0 C--N 1.326 -0.45 0 N-CA-C 109.005 -0.739 . . . . 71.11 109.005 179.731 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.401 ' O ' ' HA ' ' A' ' 31' ' ' SER . 20.1 pt20 . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 109.456 -0.572 . . . . 43.03 109.456 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.827 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 8.9 p-10 -89.05 108.28 19.5 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.518 0.675 . . . . 74.24 110.243 177.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.527 ' HE ' HD23 ' A' ' 30' ' ' LEU . 37.7 ptt180 -100.59 145.03 28.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.642 -0.708 . . . . 70.02 109.652 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.587 ' CZ2' ' HB2' ' A' ' 27' ' ' CYS . 73.5 t-105 -92.25 120.24 32.62 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 120.512 -0.475 . . . . 72.12 110.793 -172.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.574 HG12 ' HB2' ' A' ' 54' ' ' TYR . 20.0 m -115.33 142.58 27.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 120.942 0.401 . . . . 73.41 110.848 -178.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.508 ' O ' HD12 ' A' ' 52' ' ' LEU . 79.3 t -133.62 120.67 38.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.196 -0.911 . . . . 74.0 110.54 -178.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.768 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 3.4 tm? -111.88 102.32 10.58 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.687 -0.486 . . . . 72.34 109.687 178.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.914 ' HB2' ' HB3' ' A' ' 25' ' ' GLU . 14.8 tptm -161.55 162.05 30.07 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.404 -0.221 . . . . 72.23 110.404 -173.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.589 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 14.8 m120 71.9 -68.2 0.23 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.88 0.872 . . . . 72.31 109.192 -174.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 2.8 t-20 174.35 22.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.58 -1.267 . . . . 74.43 107.58 168.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.24 152.9 49.17 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 114.862 -1.063 . . . . 75.41 109.925 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.589 ' HB2' HD23 ' A' ' 47' ' ' LEU . 63.0 tp -111.48 127.57 55.74 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.429 -0.805 . . . . 64.13 108.889 174.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.9 m -128.67 142.36 51.05 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 109.552 -0.536 . . . . 75.22 109.552 -175.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.643 ' HB3' ' HZ3' ' A' ' 95' ' ' TRP . 0.3 OUTLIER -132.96 146.65 51.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.581 0.705 . . . . 72.33 111.313 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -122.74 165.58 16.33 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.458 -1.246 . . . . 74.34 108.504 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -53.26 -46.04 69.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.938 0.347 . . . . 72.24 111.938 -176.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.9 p -153.7 -172.51 4.25 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.934 -0.395 . . . . 74.3 109.934 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.79 -14.43 45.06 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.567 0.542 . . . . 74.45 112.375 -172.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.568 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 6.5 t0 -75.04 -8.67 57.2 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 110.309 -0.256 . . . . 74.21 110.309 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.757 ' HG3' ' H ' ' A' ' 61' ' ' THR . 5.0 pt-20 26.12 -73.49 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 116.84 2.163 . . . . 72.1 116.84 172.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.757 ' H ' ' HG3' ' A' ' 60' ' ' GLU . 14.5 t -49.93 -41.21 45.69 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.585 0.958 . . . . 55.44 113.585 -167.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -81.74 -13.52 57.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.059 0.457 . . . . 63.51 111.054 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 59' ' ' ASP . 55.6 m-85 -87.46 -16.88 33.53 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.525 -0.546 . . . . 55.4 109.525 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.53 -84.05 1.6 Allowed Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.475 -0.784 . . . . 44.34 112.473 173.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.0 p -171.75 129.92 0.66 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.572 -0.529 . . . . 63.31 109.572 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.478 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 7.0 mmm180 -104.06 -34.55 8.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.096 0.474 . . . . 73.11 111.051 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -162.12 153.34 23.98 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.153 -0.779 . . . . 51.25 111.153 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 23.7 p -161.15 124.25 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.547 0.213 . . . . 61.12 110.564 -176.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.51 ' HB ' HG11 ' A' ' 90' ' ' VAL . 36.2 pt -121.14 156.32 24.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.37 -0.377 . . . . 72.11 111.152 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 52.3 m -97.72 121.62 39.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.76 -0.655 . . . . 61.33 110.451 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.732 HD13 ' HB3' ' A' ' 74' ' ' ALA . 4.4 mm? -84.16 56.41 3.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.094 0.473 . . . . 53.12 111.261 -176.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.9 m -109.65 -42.56 4.26 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.951 -0.568 . . . . 54.41 110.113 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.64 9.64 8.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.463 . . . . 73.4 110.741 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.732 ' HB3' HD13 ' A' ' 71' ' ' LEU . . . -73.1 109.21 6.46 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.613 -0.514 . . . . 73.45 109.613 175.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.9 t -80.4 126.52 39.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.089 -0.505 . . . . 61.24 111.065 -173.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.718 HD11 HD12 ' A' ' 112' ' ' ILE . 55.4 mt -77.75 96.63 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.058 -0.719 . . . . 64.03 109.058 174.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.7 m -96.77 115.8 65.83 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 116.11 -0.495 . . . . 61.34 111.063 -174.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.422 ' HA ' ' HD1' ' A' ' 86' ' ' PHE . 31.2 Cg_exo -60.26 126.02 19.02 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.473 2.116 . . . . 70.35 111.503 175.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -64.82 161.89 17.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.353 -0.385 . . . . 75.5 110.669 -176.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.44 -75.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.279 0.561 . . . . 74.34 111.488 -174.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -76.94 -16.4 59.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.528 -0.76 . . . . 73.25 111.772 -173.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.628 ' HB3' ' HB3' ' A' ' 85' ' ' ARG . 5.4 t70 -100.17 146.5 26.78 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.796 -0.362 . . . . 72.22 110.469 -175.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -97.06 -22.73 16.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.152 -0.476 . . . . 51.22 110.97 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 65.5 m -119.0 -1.01 11.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.568 -0.287 . . . . 75.11 111.556 -174.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.628 ' HB3' ' HB3' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -91.71 138.95 31.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.984 0.421 . . . . 65.2 110.501 176.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 105' ' ' ARG . 80.4 m-85 -138.02 121.63 17.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.493 -0.776 . . . . 74.24 110.4 -174.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.73 112.78 24.84 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.054 -0.975 . . . . 54.02 109.823 -175.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.682 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 23.4 mm -83.83 108.27 16.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.588 -0.523 . . . . 74.01 109.588 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.9 p -112.0 120.89 43.42 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 112.766 0.654 . . . . 74.13 112.766 -173.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.574 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 14.7 p -153.19 134.45 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.309 -0.86 . . . . 72.55 109.007 173.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.403 HD22 HG22 ' A' ' 90' ' ' VAL . 41.6 m-80 61.45 23.04 13.36 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.967 0.413 . . . . 63.33 111.009 -176.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.8 t70 70.09 4.41 4.82 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.075 -0.966 . . . . 71.35 111.32 -173.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.8 m -78.59 100.12 6.83 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.92 -0.77 . . . . 55.02 108.92 172.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.5 t -93.9 115.2 32.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.864 -0.607 . . . . 74.13 110.706 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.682 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 23.8 m95 -101.42 100.26 10.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.749 -0.66 . . . . 74.01 109.813 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.405 ' O ' HD21 ' A' ' 30' ' ' LEU . 67.8 m-85 -71.84 86.36 0.97 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.222 -0.445 . . . . 64.34 110.492 -179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.623 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 3.8 mm? -94.67 169.22 10.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.285 -0.635 . . . . 73.33 109.285 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.611 ' HG3' ' CA ' ' A' ' 85' ' ' ARG . 44.2 ttt-85 -156.98 149.81 23.63 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.706 -0.479 . . . . 63.3 109.706 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.42 124.1 19.32 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.832 -0.803 . . . . 51.42 108.832 171.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.556 ' H ' ' NE2' ' A' ' 100' ' ' GLN . 2.3 mp0 . . . . . 0 C--O 1.234 0.256 0 O-C-N 123.791 0.682 . . . . 73.21 111.597 -173.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 58.0 ttp180 . . . . . 0 C--O 1.235 0.306 0 CA-C-O 121.138 0.494 . . . . 74.53 110.469 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -63.84 -16.69 61.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.416 -0.811 . . . . 63.34 111.93 -173.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -60.96 -46.27 91.37 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 108.792 -0.818 . . . . 73.54 108.792 174.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.551 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 16.8 m95 -76.0 -41.77 50.12 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 114.967 -1.015 . . . . 73.25 109.299 -175.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 105' ' ' ARG . 34.1 mm -59.14 -58.5 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 115.116 -0.947 . . . . 73.24 109.957 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.24 -45.4 91.26 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.191 -0.459 . . . . 74.01 111.027 -178.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.0 -62.26 1.87 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.82 0.343 . . . . 71.21 110.967 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.718 HD12 HD11 ' A' ' 76' ' ' ILE . 46.8 mt -61.8 -43.25 97.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 CA-C-N 116.611 -0.268 . . . . 53.13 110.751 -176.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.74 -37.24 75.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.726 0.298 . . . . 75.32 111.802 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -85.94 -11.61 52.65 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.831 0.348 . . . . 65.13 111.214 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.489 ' HB3' ' O ' ' A' ' 49' ' ' ASN . 42.4 m-70 -95.5 -35.66 11.6 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.512 0.56 . . . . 71.31 112.512 176.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 168.83 18.75 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.267 0.556 . . . . 73.32 112.334 -168.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.232 -0.895 . . . . 74.14 109.684 176.078 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.656 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 2.8 pm0 . . . . . 0 N--CA 1.447 -0.617 0 CA-C-O 121.734 0.778 . . . . 71.13 111.691 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.674 ' HG2' ' CH2' ' A' ' 108' ' ' TRP . 5.9 tpm_? -121.69 116.51 24.68 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.582 -1.19 . . . . 70.23 109.621 175.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.484 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 5.1 p -117.82 114.76 23.75 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 108.89 -0.781 . . . . 74.32 108.89 175.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.72 166.16 38.86 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.217 -0.992 . . . . 62.41 112.306 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.492 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 2.5 m -90.72 131.43 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.756 0.789 . . . . 73.5 111.974 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.774 HD13 HD12 ' A' ' 97' ' ' LEU . 48.8 tp -97.81 116.59 30.34 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.619 -1.173 . . . . 75.42 109.536 176.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.507 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 9.2 p -83.46 107.02 15.67 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.919 -0.582 . . . . 65.42 109.874 176.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 tptp . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 116.162 -0.472 . . . . 73.42 110.564 -178.097 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.507 ' O ' ' HA ' ' A' ' 31' ' ' SER . 2.0 pt20 . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 109.008 -0.738 . . . . 60.33 109.008 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.492 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 8.0 p-10 -120.78 116.02 24.42 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.666 0.746 . . . . 72.2 109.878 177.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.58 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 4.3 ptp180 -109.51 139.61 44.3 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.897 -1.047 . . . . 63.43 109.658 -178.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.484 ' CZ2' ' HB2' ' A' ' 27' ' ' CYS . 71.7 t-105 -85.25 115.73 23.19 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.478 -0.489 . . . . 73.31 109.982 -174.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.618 HG22 ' HB2' ' A' ' 54' ' ' TYR . 96.6 t -114.64 131.5 66.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 120.959 0.409 . . . . 63.13 111.117 -173.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.554 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 49.2 t -122.45 125.86 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.271 -0.877 . . . . 74.15 110.715 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.683 HD23 HD13 ' A' ' 52' ' ' LEU . 3.2 tm? -125.42 110.81 14.38 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.374 -0.376 . . . . 71.03 110.32 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.656 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 14.5 tptm 177.26 163.06 0.51 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.919 -0.771 . . . . 72.03 108.919 -176.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.525 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 14.3 m120 69.65 14.21 8.19 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.699 0.4 . . . . 71.12 110.161 -176.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.821 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 3.0 t-20 70.79 5.58 5.5 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.484 -0.78 . . . . 72.11 109.668 -173.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.09 150.55 27.65 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.26 -0.882 . . . . 32.51 110.154 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.683 HD13 HD23 ' A' ' 47' ' ' LEU . 43.5 tp -122.7 127.86 49.81 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.598 -0.728 . . . . 64.33 109.308 176.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.585 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 10.1 p -141.96 124.79 16.06 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.596 -0.729 . . . . 73.42 110.39 -173.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.618 ' HB2' HG22 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -125.65 152.34 45.33 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.287 0.565 . . . . 60.01 110.645 178.482 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -128.2 160.26 32.64 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.275 -1.009 . . . . 74.33 108.275 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.559 ' HG2' ' HG3' ' A' ' 66' ' ' ARG . 13.2 mmmm -54.63 -42.69 71.53 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.347 0.499 . . . . 70.13 112.347 -176.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.521 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 15.9 m -144.96 177.47 8.73 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.296 -0.261 . . . . 72.34 110.296 -177.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.86 -24.54 66.98 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.417 0.448 . . . . 61.41 111.794 -176.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.625 ' OD1' ' HG2' ' A' ' 62' ' ' GLU . 5.2 t70 -51.34 -40.15 58.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.414 -0.357 . . . . 73.41 110.814 177.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 49.76 -46.94 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.351 1.861 . . . . 71.15 115.905 -176.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.8 t -58.86 -50.52 73.7 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.386 0.884 . . . . 72.12 113.386 -170.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.625 ' HG2' ' OD1' ' A' ' 59' ' ' ASP . 15.4 pt-20 -86.23 -15.91 39.36 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.424 -0.51 . . . . 71.34 111.03 -176.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.521 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 49.1 m-85 -82.07 -35.84 28.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.24 -0.437 . . . . 73.14 110.803 -179.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.08 170.89 39.71 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.506 -0.854 . . . . 74.45 112.239 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.1 p -72.59 104.55 3.91 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.516 0.674 . . . . 71.51 111.032 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.559 ' HG3' ' HG2' ' A' ' 56' ' ' LYS . 10.4 mmt180 -85.4 -21.88 28.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.27 -0.877 . . . . 61.32 110.184 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.585 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -149.29 112.91 0.58 Allowed Glycine 0 N--CA 1.439 -1.11 0 N-CA-C 110.597 -1.001 . . . . 72.45 110.597 175.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.8 p -129.22 110.62 12.13 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.185 0.517 . . . . 71.52 110.342 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.645 HD11 HD23 ' A' ' 52' ' ' LEU . 45.8 pt -129.15 176.61 7.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.713 -0.676 . . . . 63.43 110.62 -178.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.482 ' SG ' ' HD3' ' A' ' 73' ' ' LYS . 12.0 p -122.82 138.99 54.49 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.045 -0.525 . . . . 71.31 110.879 -178.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.708 ' HB3' HG23 ' A' ' 112' ' ' ILE . 4.0 mm? -90.79 14.76 12.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.859 -0.609 . . . . 73.44 110.098 177.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.9 t -66.13 -49.11 68.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.249 -0.887 . . . . 62.2 110.96 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.543 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -125.49 19.72 8.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.677 -0.692 . . . . 73.11 109.892 -176.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.63 150.39 43.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.305 -0.861 . . . . 42.31 111.608 -176.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.455 ' HB ' ' OG ' ' A' ' 89' ' ' SER . 47.4 t -104.83 109.6 28.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.948 -0.569 . . . . 74.4 110.105 176.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.5 HD11 HD13 ' A' ' 112' ' ' ILE . 60.0 mt -83.33 120.68 35.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.971 -0.559 . . . . 72.33 110.494 179.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.934 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 24.1 m -110.37 101.87 49.68 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 116.087 -0.506 . . . . 75.33 111.074 178.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 77' ' ' THR . 30.0 Cg_endo -64.6 130.6 26.94 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.017 1.812 . . . . 70.33 111.151 175.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -68.97 150.68 47.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.188 0.518 . . . . 73.22 110.373 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.34 -58.15 3.4 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.416 -0.811 . . . . 74.23 111.49 -175.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -77.42 -9.13 58.69 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.492 0.553 . . . . 73.02 112.492 -176.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -128.74 142.04 51.13 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.432 -0.507 . . . . 73.42 111.142 -175.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -103.86 7.67 36.93 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.701 -0.682 . . . . 74.34 110.709 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 73.8 m -120.83 -26.49 5.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.454 -0.339 . . . . 51.45 111.313 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.546 ' CA ' ' HG3' ' A' ' 98' ' ' ARG . 63.6 ttt-85 -80.16 147.58 31.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.06 0.457 . . . . 71.01 111.525 -178.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -149.92 139.91 21.98 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.591 -0.731 . . . . 74.44 110.426 177.789 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.934 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 7.3 t70 -99.18 135.25 40.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.908 -1.042 . . . . 73.43 109.405 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.836 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 3.8 mp -114.85 96.64 4.79 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-N 116.209 -0.451 . . . . 71.21 109.882 -176.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.455 ' OG ' ' HB ' ' A' ' 75' ' ' VAL . 63.3 p -101.76 102.95 13.66 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 120.381 -0.527 . . . . 74.2 110.703 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.9 m -101.33 -172.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.889 -0.596 . . . . 72.53 109.782 176.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -36.5 -61.43 0.52 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 124.248 0.968 . . . . 74.53 112.814 -175.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -129.18 10.61 5.84 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.065 0.395 . . . . 74.22 112.065 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 t -136.54 129.42 30.9 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.567 -0.453 . . . . 75.33 111.222 -173.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.9 t -109.4 127.74 65.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.118 -0.492 . . . . 61.53 110.134 174.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.836 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 12.9 m95 -112.94 147.53 36.9 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.89 -0.595 . . . . 75.45 110.148 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -124.63 92.72 3.71 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.122 -0.695 . . . . 71.23 109.122 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.774 HD12 HD13 ' A' ' 30' ' ' LEU . 36.4 tp -119.57 171.43 8.37 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.811 -0.355 . . . . 61.14 110.259 -173.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.546 ' HG3' ' CA ' ' A' ' 85' ' ' ARG . 20.6 ttt180 -153.75 151.48 29.65 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.46 -0.571 . . . . 71.44 109.46 -177.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.7 144.68 47.6 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.998 -0.371 . . . . 72.05 109.998 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.616 ' H ' ' NE2' ' A' ' 100' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 115.729 -0.668 . . . . 70.34 110.304 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.527 ' HB2' ' CD1' ' A' ' 108' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.449 0 CA-C-O 120.723 0.297 . . . . 72.52 111.463 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -66.66 -10.98 51.76 Favored 'General case' 0 N--CA 1.46 0.071 0 CA-C-N 116.595 -0.275 . . . . 75.41 110.511 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -51.51 -50.11 60.6 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.283 -0.636 . . . . 72.23 109.283 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.674 ' CH2' ' HG2' ' A' ' 26' ' ' ARG . 7.9 m95 -73.16 -44.53 59.85 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.17 -0.923 . . . . 74.55 109.256 -176.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 39.0 mm -54.45 -59.83 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.191 -0.913 . . . . 72.3 110.054 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -54.9 -53.55 54.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.526 . . . . 74.34 111.079 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.75 -60.72 2.98 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.308 0.575 . . . . 64.41 111.137 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.708 HG23 ' HB3' ' A' ' 71' ' ' LEU . 31.7 mt -63.49 -53.16 48.75 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-N 116.239 -0.437 . . . . 63.43 111.118 -174.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -52.76 -44.01 66.19 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.749 0.277 . . . . 75.21 111.749 -177.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -74.85 -30.06 61.24 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.805 0.298 . . . . 71.42 111.805 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.821 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 89.6 m-70 -96.82 -20.54 18.11 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 114.139 1.163 . . . . 70.11 114.139 -173.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.475 ' HB3' HD21 ' A' ' 50' ' ' ASN . 1.2 pptt? -82.23 170.8 15.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 118.328 0.513 . . . . 73.13 111.822 -175.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.253 1.265 0 CA-C-N 115.534 -0.757 . . . . 73.01 109.77 176.557 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.726 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 1.6 pm0 . . . . . 0 N--CA 1.439 -1.017 0 CA-C-O 121.663 0.744 . . . . 51.2 111.656 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.684 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 2.2 tpm_? -106.93 111.07 23.4 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 114.831 -1.077 . . . . 72.34 108.232 170.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.601 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 3.1 p -123.33 107.59 11.81 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 123.498 0.499 . . . . 74.12 110.275 -177.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.18 171.18 35.66 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.456 -0.878 . . . . 12.42 112.479 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.516 HG13 ' HE3' ' A' ' 44' ' ' TRP . 0.8 OUTLIER -88.91 133.2 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.671 0.748 . . . . 71.23 111.514 -179.851 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.632 HD22 HD23 ' A' ' 97' ' ' LEU . 53.1 tp -115.84 122.25 44.84 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.673 -1.149 . . . . 62.01 109.772 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 p -76.87 99.71 5.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.985 -0.552 . . . . 55.13 109.998 176.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? . . . . . 0 C--N 1.325 -0.5 0 CA-C-N 116.29 -0.414 . . . . 74.12 110.875 -177.052 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.442 HE21 ' HB2' ' A' ' 41' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.52 0 N-CA-C 108.939 -0.763 . . . . 63.44 108.939 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -94.86 98.58 10.83 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.446 -0.575 . . . . 73.24 109.446 177.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.506 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 10.4 ptp180 -97.43 150.28 21.21 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.857 -0.61 . . . . 64.44 110.01 -176.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.516 ' HE3' HG13 ' A' ' 29' ' ' VAL . 68.2 t-105 -97.18 110.94 23.39 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.304 -0.559 . . . . 63.1 110.291 -174.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.601 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 18.4 m -109.02 145.21 16.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 C-N-CA 120.8 -0.36 . . . . 44.22 110.804 -174.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.684 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 57.0 t -133.27 122.81 45.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.464 -0.789 . . . . 70.33 111.071 -177.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.726 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 5.3 tt -113.01 105.45 13.5 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.904 -0.406 . . . . 73.33 109.904 177.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.583 ' HB2' ' HB3' ' A' ' 25' ' ' GLU . 15.3 tptt -164.54 151.5 11.28 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.515 -0.55 . . . . 72.53 109.515 -178.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.492 ' OD1' ' HG3' ' A' ' 48' ' ' LYS . 16.4 m120 64.34 19.63 11.86 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 122.81 0.444 . . . . 41.52 110.447 -173.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.66 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 16.3 t-20 64.81 18.0 11.25 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.364 -0.835 . . . . 73.25 109.848 -175.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.92 126.1 53.45 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.159 -0.928 . . . . 74.45 109.344 175.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.654 ' HB2' HD21 ' A' ' 71' ' ' LEU . 53.7 tp -101.66 125.78 48.38 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.95 -0.759 . . . . 74.24 108.95 176.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.9 m -131.19 167.44 19.16 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.503 -0.771 . . . . 73.3 109.099 -175.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.43 ' HA ' ' O ' ' A' ' 44' ' ' TRP . 2.4 p90 -148.82 154.41 39.48 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.048 -0.661 . . . . 71.34 111.2 177.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.468 ' CD1' ' HD1' ' A' ' 44' ' ' TRP . 9.5 m-85 -124.66 163.62 21.63 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.832 -1.077 . . . . 75.33 108.319 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.457 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 25.7 mmmt -60.65 -28.77 68.83 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.111 0.412 . . . . 33.13 112.111 -178.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.446 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 22.0 t -168.93 -170.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.452 -0.573 . . . . 71.23 109.452 178.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -67.57 -20.07 65.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.064 -0.516 . . . . 73.54 111.013 -174.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 7.6 t0 -81.73 49.71 1.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.803 0.811 . . . . 74.51 109.488 176.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -49.18 -23.83 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.834 -1.076 . . . . 71.33 112.061 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -41.54 70.64 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.419 0.525 . . . . 62.23 112.419 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -106.58 -24.81 12.06 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.576 -0.45 . . . . 61.52 111.627 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 32.0 m-85 -75.09 -38.74 61.14 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.84 -0.344 . . . . 75.31 111.636 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.47 162.94 7.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.852 -0.69 . . . . 63.43 112.526 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.8 t -62.82 124.23 20.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.183 0.516 . . . . 75.02 110.323 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.474 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 4.3 mmm180 -98.82 -20.52 16.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.768 -0.651 . . . . 62.15 111.404 -175.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -175.4 152.46 13.43 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.901 -0.88 . . . . 63.33 110.901 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 17.1 p -151.53 153.22 34.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.925 0.363 . . . . 74.21 111.389 -176.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 22.3 pt -142.05 161.21 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.768 -0.651 . . . . 73.23 110.38 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 55.6 m -98.31 139.43 34.09 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.862 -0.421 . . . . 74.32 109.862 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.654 HD21 ' HB2' ' A' ' 52' ' ' LEU . 4.2 mm? -87.87 -0.32 56.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.724 0.638 . . . . 64.44 112.724 -172.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -68.54 -59.05 3.42 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.972 -0.291 . . . . 44.12 110.762 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -93.4 19.85 7.84 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.99 0.367 . . . . 72.12 111.99 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.64 123.13 32.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.729 0.299 . . . . 73.21 110.284 177.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.9 t -83.06 117.42 28.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.431 -0.35 . . . . 71.33 110.89 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.439 HD11 HD13 ' A' ' 112' ' ' ILE . 61.6 mt -83.75 110.26 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 65.31 110.151 177.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.8 m -118.4 118.82 33.6 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 116.299 -0.41 . . . . 73.1 110.373 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -57.31 128.8 31.03 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.069 1.846 . . . . 63.41 111.414 176.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -70.87 145.94 49.93 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.272 -0.64 . . . . 54.21 109.272 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -75.36 -57.27 3.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.08 0.467 . . . . 74.24 110.985 -174.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -68.31 -22.2 64.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.526 -0.761 . . . . 63.2 111.525 -176.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.872 ' HB2' ' HB3' ' A' ' 85' ' ' ARG . 32.1 m-20 -128.55 117.35 21.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.465 -0.334 . . . . 53.53 110.57 -176.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -75.41 -24.66 57.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.074 0.464 . . . . 71.52 111.134 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 80.8 m -96.67 3.22 52.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.346 -0.388 . . . . 54.12 111.005 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.872 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 2.1 ttp180 -104.37 137.28 42.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.327 -0.397 . . . . 73.32 110.298 178.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.518 ' CE1' ' HG3' ' A' ' 105' ' ' ARG . 23.3 m-85 -122.85 128.09 49.91 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.513 0.673 . . . . 74.55 111.429 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -90.4 115.56 27.67 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.556 -1.202 . . . . 54.1 109.664 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.765 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 39.9 mm -100.22 95.61 4.24 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 115.367 -0.833 . . . . 74.12 109.687 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 80.6 p -103.29 107.96 18.99 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 120.109 -0.636 . . . . 72.25 111.139 -177.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.743 HG22 ' H ' ' A' ' 91' ' ' ASN . 6.3 p -116.04 -173.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 107.741 -1.207 . . . . 71.32 107.741 172.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.743 ' H ' HG22 ' A' ' 90' ' ' VAL . 7.3 m-20 -50.25 105.06 0.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 122.51 0.324 . . . . 70.31 111.249 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.5 t70 72.2 -20.08 0.26 Allowed 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.11 0.781 . . . . 62.34 113.11 173.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.591 ' HB3' ' HE1' ' A' ' 95' ' ' TRP . 33.6 m -107.99 114.05 27.69 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.741 -0.6 . . . . 62.15 111.134 -175.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.9 t -110.22 117.98 55.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.039 -0.528 . . . . 74.22 109.679 176.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.765 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 28.8 m95 -111.09 109.01 18.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.819 0.342 . . . . 64.0 110.898 -174.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.532 ' HB3' ' HD2' ' A' ' 85' ' ' ARG . 80.0 m-85 -85.3 78.8 9.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.248 -0.433 . . . . 63.51 110.575 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.632 HD23 HD22 ' A' ' 30' ' ' LEU . 88.4 mt -81.69 161.04 23.54 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.877 -0.416 . . . . 61.24 109.877 -177.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.513 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 5.2 ttm-85 -137.72 151.55 48.32 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.406 -0.59 . . . . 74.43 109.406 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.57 -174.53 0.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.487 0.492 . . . . 72.14 110.808 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.438 HE21 ' HG3' ' A' ' 107' ' ' GLN . 69.1 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 72.3 110.156 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.518 ' HG3' ' CE1' ' A' ' 86' ' ' PHE . 31.6 ttm180 . . . . . 0 C--O 1.239 0.513 0 CA-C-O 121.803 0.811 . . . . 70.22 109.454 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -61.0 -9.58 4.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.346 -1.297 . . . . 72.42 112.052 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.438 ' HG3' HE21 ' A' ' 100' ' ' GLN . 12.2 mm100 -54.42 -45.28 72.94 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.947 -0.39 . . . . 70.2 109.947 174.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.499 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 13.1 m95 -74.85 -40.21 61.13 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 115.741 -0.663 . . . . 75.2 109.695 -175.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.3 mm -60.71 -56.8 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 115.306 -0.861 . . . . 54.45 109.495 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -56.49 -49.11 75.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.76 -0.654 . . . . 73.14 110.913 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.549 ' HB1' HD22 ' A' ' 47' ' ' LEU . . . -55.9 -58.8 6.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 52.44 111.298 -179.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.527 HG23 ' HB3' ' A' ' 71' ' ' LEU . 43.6 mt -67.44 -51.15 55.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.604 -0.271 . . . . 73.32 111.24 -174.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 65.2 mm-40 -51.96 -45.41 64.38 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 111.722 0.267 . . . . 63.54 111.722 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -77.84 -28.51 50.15 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.973 0.36 . . . . 71.54 111.973 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.66 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 7.2 m-70 -86.64 -24.0 25.47 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.603 0.594 . . . . 73.32 112.603 -177.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 113' ' ' GLU . 0.9 OUTLIER -71.2 171.0 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.159 0.504 . . . . 72.41 111.815 -173.003 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 32.8 p . . . . . 0 C--O 1.249 1.034 0 CA-C-N 115.646 -0.706 . . . . 65.04 110.502 -178.727 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.633 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 6.3 pm0 . . . . . 0 N--CA 1.443 -0.792 0 CA-C-O 121.891 0.853 . . . . 71.3 111.564 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.551 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -123.32 110.5 15.26 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 114.938 -1.028 . . . . 64.14 109.028 175.197 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.511 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 6.2 p -120.79 108.08 13.51 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.086 -0.506 . . . . 25.04 110.03 -177.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.82 169.84 38.91 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.783 -0.722 . . . . 54.41 111.807 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.847 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 2.4 m -90.57 132.26 35.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.674 0.749 . . . . 72.23 111.941 -178.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.3 tp -107.43 120.4 42.07 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.655 -1.157 . . . . 63.24 109.204 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -78.9 100.15 7.09 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.873 -0.603 . . . . 62.32 110.944 -177.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.469 ' HD2' ' HA ' ' A' ' 32' ' ' LYS . 31.5 tptt . . . . . 0 C--N 1.328 -0.354 0 C-N-CA 121.059 -0.256 . . . . 72.13 110.318 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.307 -0.627 . . . . 74.01 109.307 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.847 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 6.1 m-20 -91.32 102.98 15.68 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.309 -0.626 . . . . 64.54 109.309 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.448 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 38.1 ptt180 -95.32 146.83 24.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.689 -0.687 . . . . 71.14 110.247 -176.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.559 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 70.1 t-105 -89.89 112.92 24.43 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.724 -0.39 . . . . 75.24 110.809 -171.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 17.2 m -110.36 143.12 20.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.997 0.427 . . . . 73.43 111.029 -176.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.551 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 73.8 t -132.87 114.09 21.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.192 -0.913 . . . . 63.23 110.406 -178.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.581 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 4.2 tt -112.97 111.63 22.51 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.023 -0.362 . . . . 75.31 110.023 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.633 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 5.6 tptt -172.97 154.99 2.97 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.358 -0.608 . . . . 74.22 109.358 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 58.9 24.76 12.86 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.845 0.458 . . . . 70.24 111.584 -175.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.755 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 4.5 t-20 71.66 10.22 6.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.292 -0.867 . . . . 72.11 110.798 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.19 139.09 50.23 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.565 -0.743 . . . . 51.15 109.859 176.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.575 HD23 HD11 ' A' ' 69' ' ' ILE . 60.8 tp -119.01 129.45 55.14 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.228 -0.656 . . . . 74.24 109.228 175.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.8 m -140.15 148.62 41.91 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 116.254 -0.43 . . . . 72.32 109.926 -176.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.559 ' HA ' ' O ' ' A' ' 44' ' ' TRP . 2.1 p90 -130.98 154.15 48.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.5 0.667 . . . . 74.33 110.96 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.523 ' HD2' ' HD1' ' A' ' 44' ' ' TRP . 21.7 m-85 -127.35 171.21 11.71 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.853 -1.067 . . . . 73.2 108.526 -177.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -58.74 -73.61 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.786 0.662 . . . . 73.23 112.786 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 44' ' ' TRP . 6.1 p -105.82 -85.58 0.49 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.721 0.296 . . . . 52.11 111.561 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -153.95 -28.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.066 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.529 ' HB3' ' HE2' ' A' ' 63' ' ' TYR . 4.6 t70 -38.14 -48.08 1.21 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.048 -0.978 . . . . 63.34 112.157 175.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 39.02 22.15 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.961 1.467 . . . . 64.24 114.961 -177.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 t -108.63 -31.91 7.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 119.125 0.875 . . . . 73.15 111.118 -176.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -109.3 -9.65 14.97 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.557 -0.457 . . . . 64.15 111.344 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.529 ' HE2' ' HB3' ' A' ' 59' ' ' ASP . 47.4 m-85 -85.52 -11.34 54.4 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.469 -0.332 . . . . 72.32 111.234 -177.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.44 ' O ' ' HE1' ' A' ' 55' ' ' TYR . . . 70.47 -82.18 0.38 Allowed Glycine 0 C--O 1.227 -0.289 0 CA-C-N 116.131 -0.486 . . . . 44.12 112.446 178.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.4 p -175.34 113.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.176 0.591 . . . . 55.02 109.481 177.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.469 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 3.0 mmm180 -81.44 -27.1 34.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.226 0.536 . . . . 73.44 110.735 -175.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.414 ' HA3' ' CD1' ' A' ' 54' ' ' TYR . . . -143.77 154.96 25.92 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 110.598 -1.001 . . . . 70.11 110.598 176.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.9 p -164.63 110.39 0.98 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.078 0.466 . . . . 75.52 110.793 -176.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.575 HD11 HD23 ' A' ' 52' ' ' LEU . 43.3 pt -124.56 160.04 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.037 -0.528 . . . . 73.41 110.424 178.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 80.2 m -115.0 131.97 56.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.935 -0.575 . . . . 74.31 110.264 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.669 ' HG ' HG12 ' A' ' 112' ' ' ILE . 4.3 mm? -75.3 8.53 2.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 73.35 111.712 -176.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.5 m -66.49 -38.16 86.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 71.11 110.91 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.47 ' HE2' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -132.15 16.64 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.22 0.533 . . . . 61.1 110.847 178.743 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.755 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -84.22 107.95 16.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.896 -0.593 . . . . 43.03 109.824 177.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 50.2 t -71.45 125.34 29.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.888 -0.596 . . . . 74.42 110.707 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.49 HD11 HD13 ' A' ' 112' ' ' ILE . 44.3 mt -86.18 100.76 9.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.774 -0.648 . . . . 73.55 109.887 176.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.5 m -92.53 113.16 58.62 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 110.156 -0.313 . . . . 74.53 110.156 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.491 ' HA ' ' CD1' ' A' ' 86' ' ' PHE . 21.3 Cg_exo -64.82 130.99 27.64 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.435 2.09 . . . . 71.22 111.44 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -70.98 151.08 45.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.418 -0.586 . . . . 75.14 109.418 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -77.81 -63.36 1.4 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.842 0.353 . . . . 55.11 111.567 -174.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -72.13 -35.77 69.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.077 -0.51 . . . . 73.35 111.489 -178.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.49 131.67 35.41 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.984 -0.553 . . . . 74.33 111.622 -173.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -84.19 -37.0 22.41 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.319 -0.855 . . . . 75.34 110.016 176.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 56.9 m -96.37 18.41 13.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.4 -0.818 . . . . 74.34 111.732 -174.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.73 ' HB2' ' HG3' ' A' ' 98' ' ' ARG . 32.1 ttt180 -121.41 146.56 46.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.505 0.669 . . . . 64.3 111.921 -178.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.603 ' CE2' ' HB2' ' A' ' 105' ' ' ARG . 8.9 m-85 -141.57 125.78 17.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.59 -1.186 . . . . 75.54 110.131 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.424 ' OD2' ' HD1' ' A' ' 96' ' ' TYR . 8.4 m-20 -96.28 103.82 15.75 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.928 -0.578 . . . . 75.21 109.615 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.553 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 26.0 mm -78.17 141.99 14.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.904 -0.589 . . . . 72.35 109.539 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.8 p -143.55 112.53 6.66 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.969 -0.692 . . . . 72.21 112.055 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.755 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 7.3 p -145.88 130.75 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 72.11 110.224 177.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.444 HD22 HG22 ' A' ' 90' ' ' VAL . 51.7 m-80 58.21 26.91 14.39 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.942 0.401 . . . . 65.42 111.164 -176.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 91' ' ' ASN . 86.4 m-20 72.45 1.37 3.94 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.191 -0.913 . . . . 74.14 112.386 -175.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.6 m -79.03 99.95 7.11 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.667 -0.864 . . . . 71.0 108.667 171.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 48.0 t -97.37 118.71 44.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.87 -0.604 . . . . 62.22 110.416 -177.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.553 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 17.6 m95 -108.52 101.48 10.64 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.868 -0.605 . . . . 73.41 109.799 -177.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.424 ' HD1' ' OD2' ' A' ' 87' ' ' ASP . 6.6 m-85 -73.32 84.15 1.42 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.418 -0.586 . . . . 74.54 109.418 177.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.57 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 24.5 tp -100.59 142.71 31.68 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.228 -0.286 . . . . 62.54 110.228 -169.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.73 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 18.2 ttp180 -143.0 154.44 44.01 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.024 -0.362 . . . . 72.32 110.024 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.86 136.97 57.08 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.133 -0.321 . . . . 64.41 110.133 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.563 ' H ' ' NE2' ' A' ' 100' ' ' GLN . 2.0 mp0 . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.103 -0.499 . . . . 54.4 111.407 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.603 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 3.6 ppt_? . . . . . 0 C--O 1.236 0.344 0 CA-C-O 121.121 0.486 . . . . 75.54 111.225 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -55.87 -25.62 43.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.461 -0.79 . . . . 74.32 111.607 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -57.95 -40.83 81.5 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.039 0.447 . . . . 73.24 110.041 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.599 ' HD1' ' HD2' ' A' ' 86' ' ' PHE . 9.1 m95 -76.1 -42.72 46.27 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 109.114 -0.699 . . . . 73.25 109.114 -176.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 33.2 mm -59.35 -53.68 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 115.091 -0.959 . . . . 64.43 109.987 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 114' ' ' GLN . 6.1 t70 -56.9 -47.4 80.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.692 -0.685 . . . . 73.33 110.645 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.76 -61.7 2.19 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.553 0.692 . . . . 44.0 110.962 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.669 HG12 ' HG ' ' A' ' 71' ' ' LEU . 30.4 mt -67.39 -47.21 81.68 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 115.917 -0.583 . . . . 74.23 111.779 -172.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.752 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 72.6 mm-40 -56.13 -44.61 79.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 54.12 111.16 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.459 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 2.6 mp0 -76.46 -16.24 59.71 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.474 -0.491 . . . . 75.13 111.657 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.755 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 94.4 m-70 -111.89 6.85 19.78 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 114.145 1.165 . . . . 73.32 114.145 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.752 ' HE2' ' O ' ' A' ' 113' ' ' GLU . 28.3 mtmt -49.97 166.99 0.06 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 122.196 0.998 . . . . 73.12 112.898 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.312 -1.044 0 CA-C-N 114.363 -1.289 . . . . 53.14 110.848 -166.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 121.223 0.535 . . . . 65.53 110.372 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.549 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 4.4 tpm_? -128.56 120.79 27.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.744 -0.662 . . . . 75.33 109.979 178.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.0 p -139.04 109.51 6.55 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.761 -0.654 . . . . 63.31 109.307 172.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.28 175.84 41.67 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.384 -0.912 . . . . 75.22 112.2 -177.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.448 HG13 ' HE3' ' A' ' 44' ' ' TRP . 1.9 m -92.76 132.57 36.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.493 0.663 . . . . 70.24 111.742 -178.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.527 HD13 ' N ' ' A' ' 31' ' ' SER . 1.9 tm? -105.83 130.74 53.74 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.058 -0.974 . . . . 73.41 108.76 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.527 ' N ' HD13 ' A' ' 30' ' ' LEU . 1.1 p -95.64 88.95 5.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.862 -0.608 . . . . 61.11 110.951 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HE3' ' CE2' ' A' ' 96' ' ' TYR . 27.4 tptp . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.233 -0.44 . . . . 75.05 110.884 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 . . . . . 0 CA--C 1.51 -0.578 0 N-CA-C 109.689 -0.486 . . . . 72.43 109.689 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -103.9 112.57 25.6 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.68 0.752 . . . . 71.31 110.334 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -116.0 148.9 39.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.187 -0.915 . . . . 62.41 109.618 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.448 ' HE3' HG13 ' A' ' 29' ' ' VAL . 67.7 t-105 -90.78 111.66 23.13 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.942 -0.392 . . . . 75.11 109.942 -175.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 p -110.25 142.71 21.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-O 121.213 0.53 . . . . 72.44 110.714 -175.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 37.8 t -136.22 130.93 48.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.25 -0.886 . . . . 74.32 110.92 -175.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.9 tt -115.11 125.41 53.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.859 -0.793 . . . . 75.23 108.859 175.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -164.51 163.59 22.0 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 110.509 -0.182 . . . . 75.22 110.509 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.537 ' O ' ' HB3' ' A' ' 115' ' ' HIS . 13.5 m120 64.5 -90.81 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.011 0.524 . . . . 72.43 110.061 -178.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.513 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 2.8 t-20 -162.01 36.46 0.12 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 106.246 -1.761 . . . . 74.23 106.246 164.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -134.82 158.27 44.64 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 113.826 -1.534 . . . . 63.5 110.187 -176.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 46' ' ' VAL . 31.5 tp -121.74 130.45 53.44 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.563 -0.744 . . . . 74.23 109.157 177.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 20.9 m -129.4 157.95 40.52 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.901 -0.591 . . . . 65.33 109.46 -176.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.609 ' HB3' ' HZ3' ' A' ' 95' ' ' TRP . 1.2 p90 -146.73 155.78 42.66 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.183 -0.607 . . . . 72.34 110.382 176.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.41 ' HD2' ' O ' ' A' ' 64' ' ' GLY . 10.3 m-85 -130.63 163.74 26.5 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.264 -1.013 . . . . 63.42 108.264 -177.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -55.19 -47.68 74.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.842 0.354 . . . . 71.22 111.193 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.4 m -156.55 -167.27 2.35 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.651 -0.499 . . . . 54.44 109.651 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.404 ' C ' ' H ' ' A' ' 60' ' ' GLU . 35.1 tt0 -63.86 -21.38 66.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.812 0.339 . . . . 70.23 110.665 -176.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.491 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 5.5 m-20 -74.14 42.1 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.079 0.466 . . . . 72.03 110.672 176.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.424 ' H ' ' HG3' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -60.83 -21.58 63.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.904 -0.589 . . . . 73.42 111.055 -178.811 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.73 -34.54 62.62 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.745 -1.116 . . . . 72.31 111.783 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -114.62 -24.36 8.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.361 -0.381 . . . . 72.34 111.195 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 8.3 m-85 -69.23 -39.73 78.35 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 121.023 -0.271 . . . . 72.21 111.418 -178.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.41 ' O ' ' HD2' ' A' ' 55' ' ' TYR . . . 75.65 170.43 28.6 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.53 -0.843 . . . . 61.12 111.516 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.7 p -69.7 118.82 13.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.378 0.609 . . . . 64.41 110.742 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.463 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 12.7 mmm180 -81.48 -34.63 31.24 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.612 -0.722 . . . . 65.5 110.228 178.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -147.58 148.98 21.01 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.012 -0.995 . . . . 72.53 110.988 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.6 t -154.78 106.99 2.73 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.844 -0.428 . . . . 63.41 109.844 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.601 ' HB ' HG11 ' A' ' 90' ' ' VAL . 26.8 pt -111.49 156.14 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.922 0.392 . . . . 70.42 111.324 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 57.1 m -94.79 121.48 36.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.527 -0.761 . . . . 75.22 110.055 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.808 HD23 HG12 ' A' ' 112' ' ' ILE . 6.6 mp -86.24 16.66 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.065 0.46 . . . . 64.12 110.936 -176.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.1 m -64.97 -45.95 83.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.805 -0.634 . . . . 72.12 110.727 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.24 15.75 5.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.38 -0.373 . . . . 75.2 111.39 -178.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.403 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -65.29 130.45 43.37 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.289 -0.414 . . . . 45.21 110.464 177.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.7 t -85.76 114.19 25.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.212 -0.449 . . . . 74.15 110.478 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.503 HG22 ' HD2' ' A' ' 86' ' ' PHE . 50.5 mt -81.36 99.35 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.364 -0.606 . . . . 71.4 109.364 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.432 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 14.6 m -102.43 113.14 66.02 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.125 -0.489 . . . . 73.22 110.953 -174.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 77' ' ' THR . 13.9 Cg_endo -57.58 130.93 41.37 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.118 1.879 . . . . 63.54 110.892 175.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -63.02 -24.53 67.96 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.25 -0.278 . . . . 71.43 110.25 -178.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.1 t70 73.28 -56.82 0.65 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.895 0.878 . . . . 71.24 111.845 171.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -66.9 -18.58 65.45 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.006 -0.738 . . . . 63.33 109.006 173.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -119.17 141.85 48.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.071 -0.968 . . . . 53.33 108.835 173.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -95.33 -16.01 22.7 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.135 -0.484 . . . . 75.21 110.694 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 65.7 m -116.04 -0.58 12.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.087 -0.506 . . . . 63.21 111.435 -174.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.543 ' HB2' ' HG3' ' A' ' 98' ' ' ARG . 56.8 ttm-85 -111.19 140.18 45.96 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.475 0.655 . . . . 72.34 111.846 176.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.503 ' HD2' HG22 ' A' ' 76' ' ' ILE . 10.1 m-85 -131.7 130.67 42.29 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.905 -1.043 . . . . 64.34 109.983 176.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.493 ' HA ' ' O ' ' A' ' 95' ' ' TRP . 1.4 m-20 -94.99 125.69 39.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.125 -0.489 . . . . 72.44 110.032 -178.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.794 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 33.1 mm -98.17 103.49 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.586 -0.279 . . . . 70.54 110.438 -178.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.3 m -106.25 114.34 28.4 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 121.223 0.535 . . . . 71.43 111.556 -176.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.601 HG11 ' HB ' ' A' ' 69' ' ' ILE . 14.8 p -140.09 128.56 26.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.05 -0.722 . . . . 51.01 109.05 174.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.483 HD22 HG22 ' A' ' 90' ' ' VAL . 50.9 m-80 61.31 22.63 12.97 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.466 0.174 . . . . 51.44 111.247 -176.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.8 t70 75.28 2.31 3.86 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 123.817 0.698 . . . . 64.24 111.601 -175.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 48.9 m -82.65 99.75 9.78 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.948 -0.76 . . . . 74.11 108.948 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 40.0 t -89.6 124.3 42.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.805 -0.634 . . . . 74.41 111.082 -175.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.794 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 25.3 m95 -109.21 165.03 11.92 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.653 -0.703 . . . . 73.42 109.24 177.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.47 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 2.4 m-85 -133.67 96.16 3.63 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.773 -0.371 . . . . 71.51 110.428 -176.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.7 mt -100.44 121.19 41.13 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.027 -0.36 . . . . 73.21 110.027 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.543 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 2.0 ttp180 -114.65 167.21 10.95 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.936 -0.394 . . . . 73.13 109.936 -178.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.484 ' HB2' ' NE ' ' A' ' 105' ' ' ARG . . . -76.47 129.95 37.26 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.207 -0.451 . . . . 64.22 110.735 176.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.446 ' CD ' ' H ' ' A' ' 100' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 N-CA-C 107.943 -1.132 . . . . 71.53 107.943 173.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.792 ' NE ' ' HA ' ' A' ' 105' ' ' ARG . 3.9 mmp_? . . . . . 0 C--O 1.237 0.416 0 CA-C-O 121.624 0.726 . . . . 73.33 111.977 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -61.55 -18.29 58.57 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.378 -1.283 . . . . 72.12 110.68 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -53.96 -43.46 69.93 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.412 -0.813 . . . . 72.41 110.315 177.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.744 ' HE1' ' HD3' ' A' ' 105' ' ' ARG . 14.0 m95 -75.46 -40.68 57.12 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.819 -0.628 . . . . 52.43 109.581 -175.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 29.7 mm -55.92 -56.86 10.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.339 -0.846 . . . . 73.53 109.417 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -55.89 -51.33 67.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.633 -0.712 . . . . 71.45 111.064 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.0 -53.87 51.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.338 -0.392 . . . . 63.44 111.708 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.808 HG12 HD23 ' A' ' 71' ' ' LEU . 45.7 mt -70.89 -44.91 75.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.678 -0.237 . . . . 71.23 111.423 -174.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.493 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 23.3 mm-40 -64.33 -28.63 69.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 73.15 111.049 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -89.73 -16.98 29.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.715 0.293 . . . . 63.0 111.289 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.537 ' HB3' ' O ' ' A' ' 49' ' ' ASN . 10.1 m-70 -97.81 -0.28 45.48 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.193 0.442 . . . . 74.24 112.193 175.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.976 ' HE2' ' HA ' ' A' ' 116' ' ' LYS . 8.1 mmpt? -40.57 133.04 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.434 0.901 . . . . 75.03 113.434 177.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.249 1.055 0 CA-C-N 114.443 -1.253 . . . . 53.24 109.079 177.647 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.675 ' HG2' ' HA ' ' A' ' 48' ' ' LYS . 4.6 mm-40 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 121.16 0.505 . . . . 74.23 110.559 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.48 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 5.2 tpm_? -163.69 127.12 2.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.803 -0.635 . . . . 63.35 109.529 176.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.4 p -143.78 110.12 5.45 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.884 -0.413 . . . . 71.12 109.884 174.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.29 172.03 44.85 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.289 -0.958 . . . . 72.1 112.138 -178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.426 HG13 ' HE3' ' A' ' 44' ' ' TRP . 3.3 m -84.88 130.18 36.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.663 0.744 . . . . 52.05 111.116 179.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.431 HD21 ' O ' ' A' ' 96' ' ' TYR . 45.0 tp -114.92 135.29 54.37 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.862 -1.063 . . . . 63.13 109.366 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.3 m -89.31 114.16 25.52 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.057 0.456 . . . . 73.45 111.007 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HE3' ' CD1' ' A' ' 96' ' ' TYR . 25.2 tptp . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 109.487 -0.56 . . . . 70.34 109.487 177.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 109.801 -0.444 . . . . 71.12 109.801 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -102.0 123.51 46.01 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.403 -0.592 . . . . 72.24 109.403 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.62 ' HD2' ' CE2' ' A' ' 54' ' ' TYR . 27.0 ptt180 -127.07 149.02 50.12 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.782 -0.645 . . . . 74.52 110.525 -174.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.426 ' HE3' HG13 ' A' ' 29' ' ' VAL . 68.3 t-105 -88.16 113.29 23.64 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.838 0.352 . . . . 70.34 110.261 -176.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.0 t -109.08 131.69 59.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 116.004 -0.544 . . . . 75.4 111.17 -174.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.55 ' O ' HD12 ' A' ' 52' ' ' LEU . 31.0 t -129.08 122.79 57.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-N 115.39 -0.823 . . . . 64.01 111.162 -179.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 48' ' ' LYS . 5.9 tt -116.66 130.83 56.96 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.995 -0.743 . . . . 74.05 108.995 176.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.675 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 52.1 pttt 179.74 161.79 0.9 Allowed 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.347 0.404 . . . . 71.25 110.876 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 56.28 32.6 20.69 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.512 0.507 . . . . 74.23 112.06 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.559 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 3.4 t-20 63.41 23.24 13.63 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.78 0.8 . . . . 65.41 110.263 -178.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.13 163.33 27.91 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.294 -0.866 . . . . 74.34 110.48 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.717 HD23 HD11 ' A' ' 69' ' ' ILE . 64.6 tp -140.48 134.76 31.15 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.305 -0.628 . . . . 73.0 109.305 177.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 49.6 m -149.45 145.95 27.18 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.331 -0.395 . . . . 63.45 109.992 -177.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.62 ' CE2' ' HD2' ' A' ' 43' ' ' ARG . 1.7 p90 -133.44 156.54 47.52 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.389 0.614 . . . . 61.14 110.917 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.445 ' CD1' ' HB3' ' A' ' 60' ' ' GLU . 4.1 m-85 -137.16 -179.71 5.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.091 -0.959 . . . . 72.21 109.616 -171.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -72.75 -38.0 67.5 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.196 0.443 . . . . 62.5 112.196 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.503 ' HB3' ' HE2' ' A' ' 63' ' ' TYR . 8.6 t -162.01 -168.58 1.95 Allowed 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.791 -0.364 . . . . 63.24 110.533 -176.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.75 -24.19 67.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.854 -0.612 . . . . 72.1 112.102 -172.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.443 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 9.8 m-20 -81.64 42.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.163 0.506 . . . . 73.04 110.79 176.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -46.86 -33.39 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.118 -0.946 . . . . 71.42 113.336 -178.56 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.1 t -58.0 -26.86 62.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.233 0.456 . . . . 74.45 112.233 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -113.37 1.66 15.2 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.513 -0.475 . . . . 64.32 111.265 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.503 ' HE2' ' HB3' ' A' ' 57' ' ' SER . 16.3 m-85 -99.39 6.06 46.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.208 0.527 . . . . 74.22 110.528 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.83 -112.58 4.84 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.269 -0.878 . . . . 71.12 112.482 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.5 p -163.56 116.94 1.52 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.14 -0.689 . . . . 75.35 109.14 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 -90.99 -8.64 48.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.693 0.758 . . . . 75.43 109.89 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -172.92 129.51 1.71 Allowed Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 114.711 -1.131 . . . . 63.44 110.51 176.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.7 t -142.91 129.45 20.18 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.751 0.31 . . . . 70.04 110.286 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.717 HD11 HD23 ' A' ' 52' ' ' LEU . 16.5 pt -134.43 156.29 40.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.932 -0.577 . . . . 64.21 111.003 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 99.3 m -104.99 125.88 51.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.009 -0.541 . . . . 43.04 110.018 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.982 HD23 HG12 ' A' ' 112' ' ' ILE . 6.3 mp -82.9 10.54 7.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.763 -0.653 . . . . 65.01 111.734 -171.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.9 t -83.73 -13.12 54.76 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.851 -0.425 . . . . 72.04 109.851 174.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.4 22.25 2.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.215 0.531 . . . . 74.22 110.287 175.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.985 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -92.59 106.6 18.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.704 -0.68 . . . . 61.01 110.288 179.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.2 t -81.41 123.25 37.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.91 -0.587 . . . . 71.42 110.538 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.608 HD11 HD12 ' A' ' 112' ' ' ILE . 59.8 mt -81.96 106.18 12.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.011 -0.541 . . . . 64.42 110.691 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 90.3 m -94.07 124.15 57.01 Favored Pre-proline 0 C--N 1.317 -0.823 0 CA-C-N 115.816 -0.629 . . . . 74.31 109.702 176.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 16.7 Cg_exo -66.78 135.68 39.19 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.29 1.993 . . . . 74.32 111.52 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.514 ' HD2' ' N ' ' A' ' 81' ' ' PHE . 30.2 p-80 -44.44 161.53 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.343 0.592 . . . . 74.14 112.233 172.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -107.58 -6.93 16.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.959 -0.564 . . . . 71.3 109.977 174.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.514 ' N ' ' HD2' ' A' ' 79' ' ' HIS . 0.4 OUTLIER -152.13 -56.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.789 0.662 . . . . 74.25 112.789 -171.562 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.593 ' HB3' ' CB ' ' A' ' 85' ' ' ARG . 13.7 t70 -65.92 130.0 41.73 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 120.939 0.399 . . . . 71.5 111.686 -171.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -65.58 -22.59 66.7 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.698 -0.683 . . . . 75.05 112.06 -172.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 98' ' ' ARG . 59.4 m -119.89 0.92 10.93 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.85 -0.34 . . . . 62.31 111.842 -175.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.593 ' CB ' ' HB3' ' A' ' 82' ' ' ASP . 20.9 ttm180 -84.19 142.94 29.96 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.762 0.792 . . . . 72.34 112.849 -176.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.551 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 7.5 m-85 -138.7 118.07 12.83 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.154 -1.385 . . . . 74.4 108.556 166.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -88.41 121.19 30.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.562 -0.745 . . . . 62.53 110.195 -173.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.791 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 31.8 mm -91.25 139.84 17.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.799 -0.445 . . . . 54.54 109.799 -179.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.7 p -133.74 114.57 13.57 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.388 0.613 . . . . 44.01 110.798 176.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.985 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 1.9 p -158.3 134.65 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.546 -0.752 . . . . 73.24 109.926 -177.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 59.66 26.88 16.02 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.059 0.456 . . . . 73.41 110.773 -178.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.5 t70 65.45 11.31 7.28 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.012 -0.994 . . . . 60.32 111.287 -175.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.3 m -96.87 113.23 24.76 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.371 -0.603 . . . . 54.13 109.371 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 48.6 t -94.1 123.36 46.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.157 0.503 . . . . 73.42 110.458 -178.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.791 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 28.6 m95 -111.08 155.74 22.36 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.687 -0.688 . . . . 53.44 109.906 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.47 ' CD1' ' HE3' ' A' ' 32' ' ' LYS . 41.8 m-85 -123.82 92.83 3.76 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 109.699 -0.482 . . . . 61.41 109.699 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.438 HD23 HG12 ' A' ' 88' ' ' ILE . 4.6 mm? -90.9 148.77 22.24 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.835 -0.432 . . . . 74.43 109.835 -178.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 2.9 ttt180 -140.19 136.23 33.22 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.097 -0.501 . . . . 74.12 110.159 -177.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.33 172.48 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.548 -0.296 . . . . 74.13 110.446 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 75.1 111.243 -176.427 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.666 HH11 HG13 ' A' ' 109' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.238 0.459 0 CA-C-O 121.076 0.465 . . . . 72.11 110.826 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -50.55 -19.67 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.265 -0.879 . . . . 62.32 112.658 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -49.62 -49.8 45.51 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-O 120.969 0.414 . . . . 71.11 110.689 176.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.423 ' O ' HG13 ' A' ' 112' ' ' ILE . 10.6 m95 -70.02 -46.16 65.68 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.752 -0.658 . . . . 73.35 109.805 -174.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.666 HG13 HH11 ' A' ' 105' ' ' ARG . 17.6 mm -59.79 -58.63 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.149 -0.932 . . . . 73.34 110.085 -177.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -55.48 -49.4 72.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.64 -0.709 . . . . 64.0 111.112 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.51 -59.49 4.38 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.216 -0.447 . . . . 54.01 111.041 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.982 HG12 HD23 ' A' ' 71' ' ' LEU . 19.8 mt -67.68 -48.79 74.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.686 -0.406 . . . . 75.33 111.346 -174.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -54.25 -41.82 69.22 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.874 0.369 . . . . 70.45 111.898 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -83.48 -26.98 29.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.254 -0.43 . . . . 74.23 111.861 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 16.6 m-70 -91.5 -23.96 19.8 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.108 0.781 . . . . 63.32 113.108 -176.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.467 ' O ' ' HE3' ' A' ' 116' ' ' LYS . 0.9 OUTLIER -69.56 152.46 44.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.133 0.492 . . . . 73.13 110.634 -177.455 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 37.6 p . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.789 -0.624 . . . . 72.34 110.495 -179.311 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.414 ' CD ' ' HE2' ' A' ' 115' ' ' HIS . 2.7 mm-40 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.244 0.545 . . . . 63.11 109.921 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 3.0 tpm_? -154.62 129.22 9.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.602 -0.727 . . . . 73.43 109.782 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 12.6 p -139.67 115.34 10.07 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.47 -0.567 . . . . 55.42 109.47 174.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -162.83 176.43 39.12 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.551 -0.833 . . . . 70.53 111.972 -178.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.1 m -88.95 137.46 21.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.627 0.727 . . . . 72.52 111.441 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.1 tp -116.79 131.44 56.95 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.95 -1.023 . . . . 74.43 109.361 176.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 p -99.06 113.74 26.09 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.105 -0.498 . . . . 52.43 110.699 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.454 ' HD2' ' HA ' ' A' ' 32' ' ' LYS . 36.0 tptt . . . . . 0 C--N 1.326 -0.447 0 N-CA-C 109.505 -0.554 . . . . 75.52 109.505 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.51 ' HB3' HH21 ' A' ' 43' ' ' ARG . 16.4 tt0 . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 120.909 0.385 . . . . 71.25 110.07 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -86.82 151.54 23.27 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.085 -0.709 . . . . 70.11 109.085 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.568 ' HB2' ' HD1' ' A' ' 54' ' ' TYR . 3.0 ptp180 -147.48 142.74 27.27 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.996 -0.547 . . . . 71.34 109.592 175.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.661 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 68.7 t-105 -89.01 110.7 21.36 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.627 -0.429 . . . . 74.22 110.043 -174.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.475 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 18.6 m -105.2 138.33 30.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-O 121.11 0.481 . . . . 64.3 110.476 -176.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.51 HG13 ' HB2' ' A' ' 53' ' ' SER . 7.1 p -139.06 126.44 25.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.712 -0.676 . . . . 72.51 110.317 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.406 HD23 ' N ' ' A' ' 48' ' ' LYS . 5.9 tt -106.31 129.54 54.31 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.075 -0.713 . . . . 74.41 109.075 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.531 ' HG3' HD22 ' A' ' 49' ' ' ASN . 52.6 tptt -173.27 146.11 1.38 Allowed 'General case' 0 C--N 1.333 -0.135 0 O-C-N 123.253 0.346 . . . . 74.12 110.234 -178.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.531 HD22 ' HG3' ' A' ' 48' ' ' LYS . 35.7 m-80 59.84 27.11 16.38 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.141 0.423 . . . . 64.31 112.141 178.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.459 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 2.8 t-20 73.68 3.59 4.54 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.363 0.665 . . . . 75.24 110.712 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.18 148.74 29.48 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.561 -0.745 . . . . 74.22 109.742 177.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.44 ' HB2' HD21 ' A' ' 71' ' ' LEU . 43.8 tp -119.76 131.45 55.35 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 109.65 -0.5 . . . . 72.43 109.65 178.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.51 ' HB2' HG13 ' A' ' 46' ' ' VAL . 75.8 m -127.13 155.88 42.64 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.48 -0.782 . . . . 71.15 110.205 -172.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.661 ' HA ' ' O ' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -148.38 148.11 29.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.367 0.603 . . . . 70.21 110.885 172.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -121.35 171.74 8.54 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.928 -1.033 . . . . 61.43 109.263 -178.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.509 ' HD2' ' CD1' ' A' ' 63' ' ' TYR . 95.7 mttt -60.39 -36.3 77.77 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.372 0.42 . . . . 74.51 111.087 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.7 t -167.91 -164.6 0.57 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.008 -0.738 . . . . 54.24 109.008 175.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -69.36 -32.55 71.67 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.244 0.34 . . . . 71.0 111.601 -171.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -78.57 54.88 1.54 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.875 0.845 . . . . 42.51 109.569 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.457 ' HA ' ' HB2' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -51.33 -20.19 1.61 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.226 -1.352 . . . . 74.05 112.496 178.398 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -47.18 64.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.96 -0.564 . . . . 65.4 112.238 178.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -100.67 -0.81 36.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.014 0.435 . . . . 55.14 110.892 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.509 ' CD1' ' HD2' ' A' ' 56' ' ' LYS . 16.9 m-85 -99.86 -8.74 23.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.224 -0.443 . . . . 73.25 111.343 -176.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.16 -91.15 0.19 Allowed Glycine 0 C--N 1.331 0.305 0 O-C-N 123.549 0.531 . . . . 62.3 112.704 173.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.8 p -167.68 149.87 5.72 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.584 -0.525 . . . . 52.35 109.584 176.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.522 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 11.3 mmm180 -119.08 -46.66 2.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.204 0.526 . . . . 72.22 111.373 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -144.48 145.46 14.97 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.323 -0.942 . . . . 73.0 112.462 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.2 p -149.39 113.72 5.24 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.92 -0.4 . . . . 62.21 109.92 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 44.8 pt -116.16 164.24 12.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.086 -0.506 . . . . 74.13 110.927 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.1 m -109.45 126.7 53.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.823 -0.626 . . . . 53.15 110.103 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.443 ' HG ' HG12 ' A' ' 112' ' ' ILE . 4.1 mm? -73.14 10.16 1.03 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.292 -0.413 . . . . 73.12 111.883 -177.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 p -73.9 -58.42 3.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.266 -0.425 . . . . 74.31 111.111 178.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.94 -6.29 22.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.335 -0.393 . . . . 65.23 111.199 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.419 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -72.31 112.94 8.81 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.768 -0.456 . . . . 60.02 109.768 176.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 69.3 t -77.05 124.71 35.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.146 -0.479 . . . . 62.12 111.423 -173.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.549 HD11 HD13 ' A' ' 112' ' ' ILE . 47.0 mt -79.96 100.04 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.678 -0.692 . . . . 62.13 109.601 173.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.424 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 18.0 m -101.09 107.8 51.71 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 116.053 -0.522 . . . . 51.04 109.856 177.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 77' ' ' THR . 18.8 Cg_endo -59.47 130.15 34.36 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.261 1.974 . . . . 52.33 110.885 176.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.469 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 18.7 t60 -75.32 138.69 41.97 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.507 -0.553 . . . . 74.21 109.507 -178.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -85.17 -44.49 12.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.084 0.469 . . . . 73.4 110.727 -174.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -71.27 -31.74 67.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.722 -0.672 . . . . 65.1 110.463 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.469 ' H ' ' HD2' ' A' ' 79' ' ' HIS . 1.5 m-20 -115.0 108.33 16.55 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.598 -0.728 . . . . 64.42 109.687 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.56 -37.59 71.06 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.282 0.563 . . . . 71.31 110.046 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 31.5 m -82.19 12.55 4.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.594 -0.73 . . . . 70.01 111.353 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.743 ' HD3' ' HB3' ' A' ' 96' ' ' TYR . 30.7 ttm-85 -120.6 141.69 50.09 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.407 0.623 . . . . 71.12 111.248 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -127.78 131.91 49.56 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.156 -0.929 . . . . 73.02 109.422 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.482 ' OD1' HG22 ' A' ' 94' ' ' VAL . 17.5 t70 -104.32 132.93 50.03 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.717 -0.674 . . . . 44.33 110.8 -175.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.738 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 32.2 mm -111.9 101.51 12.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 CA-C-N 116.046 -0.525 . . . . 74.14 110.198 -178.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.1 p -108.23 118.57 37.11 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 120.803 0.335 . . . . 73.24 111.411 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.419 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 10.7 p -132.45 123.82 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.32 -0.622 . . . . 71.31 109.32 174.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.9 p30 43.59 -78.62 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.734 1.214 . . . . 64.34 113.759 -169.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -126.07 -18.27 5.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.314 0.578 . . . . 74.53 110.62 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.542 ' HB3' ' HE1' ' A' ' 95' ' ' TRP . 18.7 m -80.09 117.17 20.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.45 -0.795 . . . . 63.14 110.005 -177.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.482 HG22 ' OD1' ' A' ' 87' ' ' ASP . 9.8 p -124.05 121.9 63.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.416 0.627 . . . . 72.11 110.163 -176.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.738 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 17.6 m95 -118.66 100.97 7.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.102 -0.499 . . . . 73.44 111.41 -168.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.743 ' HB3' ' HD3' ' A' ' 85' ' ' ARG . 33.4 m-85 -87.75 80.6 7.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.424 -0.353 . . . . 70.32 111.162 -178.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -89.25 142.83 27.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 75.04 110.955 -175.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.507 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 0.5 OUTLIER -121.45 155.76 34.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.451 -0.341 . . . . 73.24 110.675 -178.072 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.472 ' O ' ' HG2' ' A' ' 100' ' ' GLN . . . -79.87 49.5 1.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 75.52 111.338 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 99' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.775 0 C-N-CA 124.983 1.313 . . . . 75.33 113.01 -176.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 . . . . . 0 C--O 1.244 0.808 0 CA-C-O 121.37 0.605 . . . . 74.42 111.323 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -62.94 -11.01 15.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.318 -0.855 . . . . 71.11 110.87 -172.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -53.22 -45.84 68.82 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.277 -0.42 . . . . 65.21 110.203 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -72.92 -41.3 64.7 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.138 -0.69 . . . . 74.21 109.138 -176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.8 mm -59.12 -56.67 15.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.218 -0.901 . . . . 74.34 110.229 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -62.11 -47.88 82.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.564 -0.744 . . . . 74.5 111.103 -176.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.04 -58.47 7.76 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.434 0.635 . . . . 51.32 110.847 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.549 HD13 HD11 ' A' ' 76' ' ' ILE . 43.7 mt -66.11 -45.53 90.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.825 -0.625 . . . . 71.53 111.162 -174.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.473 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 4.9 mm-40 -58.05 -39.58 78.82 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.45 0.537 . . . . 73.12 112.45 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -81.09 -20.33 41.75 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 120.645 -0.422 . . . . 62.42 111.471 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.459 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 22.7 m-70 -101.74 -18.65 15.71 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 114.266 1.21 . . . . 54.21 114.266 -178.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.564 ' HD2' ' C ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -67.33 160.52 27.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.303 0.573 . . . . 62.44 112.093 -172.495 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 C--O 1.252 1.193 0 CA-C-N 115.385 -0.825 . . . . 71.21 110.021 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.618 -0.512 . . . . 73.01 109.618 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.14 117.68 22.03 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.271 -0.422 . . . . 72.44 109.934 174.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 p -132.25 118.43 19.49 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.296 -0.631 . . . . 63.53 109.296 175.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.33 -177.72 39.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.091 -1.052 . . . . 64.13 112.493 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.691 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 0.4 OUTLIER -97.91 134.97 34.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.385 0.612 . . . . 63.33 111.893 -179.531 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.505 HD23 ' HE ' ' A' ' 43' ' ' ARG . 61.4 tp -114.07 116.24 28.84 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.054 -0.975 . . . . 63.03 109.585 177.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 p -80.3 106.73 12.54 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.235 -0.439 . . . . 63.22 111.044 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.614 ' HE2' ' CD1' ' A' ' 96' ' ' TYR . 6.1 tmtm? . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.48 -0.327 . . . . 74.25 110.244 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 . . . . . 0 CA--C 1.508 -0.655 0 CA-C-O 121.199 0.523 . . . . 74.32 110.939 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.691 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 12.4 p-10 -92.24 95.88 9.97 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.046 -0.979 . . . . 75.04 109.249 175.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.505 ' HE ' HD23 ' A' ' 30' ' ' LEU . 33.0 ptt180 -89.94 152.34 21.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.323 -0.853 . . . . 71.13 109.786 -175.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -92.43 113.44 25.72 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.188 -0.605 . . . . 74.11 110.328 -173.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.418 HG12 ' HB2' ' A' ' 54' ' ' TYR . 29.0 m -109.71 140.37 28.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.232 0.539 . . . . 72.43 110.674 -177.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.461 ' O ' HD12 ' A' ' 52' ' ' LEU . 40.1 t -133.54 123.38 46.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.043 -0.98 . . . . 44.21 111.086 -176.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.2 tt -108.8 119.03 38.33 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.361 -0.977 . . . . 64.01 108.361 173.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -160.48 157.37 27.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.99 -0.096 . . . . 64.32 110.899 -175.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.602 ' O ' ' HB3' ' A' ' 115' ' ' HIS . 88.9 m-20 65.94 -78.77 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.238 0.615 . . . . 74.41 110.979 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.479 ' OD1' ' HA ' ' A' ' 116' ' ' LYS . 3.7 t-20 -174.73 33.4 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.223 -1.769 . . . . 74.21 106.223 171.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.09 150.31 46.75 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 113.811 -1.54 . . . . 55.24 110.295 -176.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.473 ' O ' ' HA ' ' A' ' 68' ' ' SER . 56.9 tp -116.65 131.16 57.02 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.669 -0.696 . . . . 70.43 109.148 176.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.0 m -137.39 159.45 41.89 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.745 -0.465 . . . . 61.5 109.745 -177.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.631 ' HB3' ' HZ3' ' A' ' 95' ' ' TRP . 1.5 p90 -143.83 154.96 43.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.315 0.579 . . . . 74.31 110.701 176.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 60' ' ' GLU . 11.6 m-85 -130.17 165.52 22.16 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.249 -0.887 . . . . 73.44 109.213 -176.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.813 ' HE2' ' HA ' ' A' ' 56' ' ' LYS . 8.5 mmpt? -59.2 -35.34 73.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.268 -0.424 . . . . 72.32 111.349 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.681 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 11.0 t -163.95 -161.86 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.448 -0.575 . . . . 71.03 109.448 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 43.4 tt0 -72.16 -29.63 64.2 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 122.713 0.405 . . . . 63.02 111.545 -170.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -77.14 52.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.735 0.778 . . . . 74.45 109.781 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.44 ' HB3' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -44.07 -38.82 3.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.456 -1.247 . . . . 72.31 114.304 -179.275 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.0 t -66.71 -30.46 70.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.82 0.343 . . . . 72.14 111.564 -177.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -85.7 -32.13 22.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.349 0.595 . . . . 73.13 110.184 178.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.681 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 29.1 m-85 -87.18 -28.93 22.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.462 -0.79 . . . . 70.24 112.073 -172.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.26 153.23 8.62 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.043 -0.598 . . . . 74.11 112.411 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.5 p -69.09 101.03 1.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.464 0.649 . . . . 70.13 110.066 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.509 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 5.2 mmm180 -71.84 -30.56 65.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.317 -0.856 . . . . 74.45 110.649 -174.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -150.4 150.37 22.38 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.305 -1.118 . . . . 62.31 110.305 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 12.2 p -164.73 125.14 2.0 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.847 0.324 . . . . 55.24 110.947 -176.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 34.2 pt -128.47 155.87 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.947 0.404 . . . . 72.11 111.281 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 57.4 m -89.89 126.38 35.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.741 -0.663 . . . . 61.31 110.488 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.92 HD13 HG12 ' A' ' 112' ' ' ILE . 92.6 mt -82.18 46.7 1.05 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.799 -0.637 . . . . 74.54 111.464 -176.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.2 t -109.77 -37.73 5.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.299 0.571 . . . . 45.53 110.096 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.508 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -123.72 18.66 9.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.601 -0.727 . . . . 75.33 109.545 -179.435 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.26 109.05 20.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.246 -0.888 . . . . 71.12 109.68 178.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t -82.98 135.47 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.0 0.429 . . . . 72.14 111.14 -175.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.664 HD11 HD12 ' A' ' 112' ' ' ILE . 41.7 mt -87.04 99.77 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.692 -0.686 . . . . 74.52 109.832 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.6 m -105.61 118.96 54.17 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.275 -0.42 . . . . 73.41 110.992 -177.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.2 129.41 31.48 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.343 2.029 . . . . 60.42 111.464 176.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.492 ' HB2' ' HG2' ' A' ' 85' ' ' ARG . 13.1 t60 -70.14 147.58 49.74 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.989 -0.374 . . . . 71.55 109.989 -176.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -70.24 -55.99 7.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.207 -0.452 . . . . 74.3 111.793 -173.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -90.01 -6.29 55.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.43 0.633 . . . . 75.33 110.803 -175.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.655 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . 4.8 m-20 -125.76 112.78 16.46 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.711 -0.677 . . . . 64.24 110.288 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -75.4 -41.14 56.87 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.199 0.523 . . . . 65.23 110.734 -176.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 69.4 m -82.74 -4.23 57.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.91 -0.586 . . . . 74.42 110.804 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.655 ' HB3' ' CB ' ' A' ' 82' ' ' ASP . 21.0 ttm180 -99.22 143.11 29.85 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.487 0.661 . . . . 75.1 110.697 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -134.59 123.37 23.72 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.663 -1.153 . . . . 75.34 110.213 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.431 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 45.8 m-20 -87.05 107.43 18.43 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.002 -0.999 . . . . 74.44 109.788 -178.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.881 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 34.0 mm -79.15 98.0 2.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.095 -0.706 . . . . 74.53 109.095 176.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.8 p -104.53 106.44 16.93 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-O 121.526 0.679 . . . . 71.03 112.177 -171.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.679 HG22 ' H ' ' A' ' 91' ' ' ASN . 5.2 p -104.29 -173.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 106.998 -1.482 . . . . 70.05 106.998 169.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.679 ' H ' HG22 ' A' ' 90' ' ' VAL . 5.0 m-80 -53.05 103.04 0.06 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.393 0.542 . . . . 73.41 111.09 -178.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.6 t70 75.03 -25.32 0.2 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.903 0.881 . . . . 72.43 112.883 174.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.578 ' HB2' HG12 ' A' ' 90' ' ' VAL . 20.2 m -96.07 110.02 22.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.934 0.397 . . . . 73.02 111.026 -176.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 87' ' ' ASP . 45.3 t -106.64 122.63 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.138 0.494 . . . . 72.1 110.156 177.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.881 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 29.8 m95 -104.22 98.04 7.91 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.003 -0.544 . . . . 72.54 110.592 -178.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.614 ' CD1' ' HE2' ' A' ' 32' ' ' LYS . 1.8 m-85 -74.18 75.93 1.79 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.819 -0.628 . . . . 64.42 110.216 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.634 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 15.9 tp -89.1 166.93 13.54 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.429 -0.952 . . . . 60.01 108.429 -176.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.511 ' HA ' ' HA ' ' A' ' 85' ' ' ARG . 6.2 ttm180 -152.91 145.71 24.39 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.8 -0.76 . . . . 70.25 110.938 -176.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -79.1 128.84 33.79 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.971 -0.752 . . . . 75.31 108.971 172.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.58 ' CD ' ' H ' ' A' ' 100' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 123.734 0.646 . . . . 74.04 112.54 -175.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 . . . . . 0 N--CA 1.469 0.516 0 N-CA-C 112.594 0.591 . . . . 74.53 112.594 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -55.56 -23.98 29.95 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.191 0.812 . . . . 64.54 113.191 -171.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -58.04 -47.43 83.12 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.288 0.566 . . . . 72.42 110.184 177.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -76.43 -41.17 48.52 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 115.271 -0.877 . . . . 73.32 109.56 -174.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.9 mm -57.7 -56.7 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-N 115.114 -0.948 . . . . 73.23 109.578 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -55.38 -50.76 68.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.947 -0.569 . . . . 75.1 111.084 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.09 -60.74 2.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.416 0.626 . . . . 55.13 111.521 -178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.92 HG12 HD13 ' A' ' 71' ' ' LEU . 20.0 mt -69.31 -44.92 80.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.091 -0.504 . . . . 70.23 111.187 -174.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.579 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 5.6 mm-40 -61.43 -29.75 70.14 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.779 0.323 . . . . 72.2 111.774 -178.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -85.09 -29.08 25.17 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.761 -0.376 . . . . 73.54 110.802 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.602 ' HB3' ' O ' ' A' ' 49' ' ' ASN . 8.0 m-70 -93.63 -23.24 18.34 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 114.801 1.408 . . . . 74.43 114.801 -174.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.579 ' HE2' ' O ' ' A' ' 113' ' ' GLU . 0.0 OUTLIER -67.97 157.9 34.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.135 0.493 . . . . 65.22 111.768 -174.805 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.1 p . . . . . 0 C--O 1.247 0.922 0 CA-C-N 115.505 -0.77 . . . . 62.14 110.326 -177.754 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.69 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 1.7 pm0 . . . . . 0 N--CA 1.44 -0.96 0 CA-C-O 121.553 0.692 . . . . 74.12 110.743 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.537 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 1.4 tpm_? -94.76 111.14 22.94 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.899 -1.046 . . . . 71.52 108.535 174.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.506 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 15.1 p -120.74 108.05 13.51 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 109.4 -0.593 . . . . 74.52 109.4 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.82 165.92 35.34 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 119.92 -1.133 . . . . 74.23 112.839 -176.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.597 HG13 ' HE3' ' A' ' 44' ' ' TRP . 1.3 m -91.77 133.47 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.517 0.675 . . . . 53.12 111.34 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.455 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 56.8 tp -109.67 118.16 35.81 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.812 -1.086 . . . . 62.33 109.296 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.7 p -81.36 107.09 13.85 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.212 0.53 . . . . 63.11 110.542 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.3 tptp . . . . . 0 C--N 1.326 -0.432 0 N-CA-C 109.109 -0.701 . . . . 73.24 109.109 -179.6 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.541 0 N-CA-C 109.318 -0.623 . . . . 74.43 109.318 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.535 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 10.8 p-10 -103.26 98.68 8.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.614 -0.721 . . . . 62.51 109.992 178.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.606 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 13.3 ptp180 -90.85 139.76 30.44 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.557 -0.747 . . . . 71.22 110.4 -176.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.597 ' HE3' HG13 ' A' ' 29' ' ' VAL . 69.6 t-105 -92.5 112.27 24.15 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 120.33 -0.548 . . . . 70.22 110.498 -175.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.456 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 21.4 m -106.3 143.03 17.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.995 0.426 . . . . 63.42 110.509 -176.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.567 ' O ' HD12 ' A' ' 52' ' ' LEU . 84.8 t -129.96 116.82 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.975 -1.011 . . . . 75.41 110.454 -178.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.69 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 3.5 tm? -117.81 113.13 21.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.061 -0.518 . . . . 61.31 110.156 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.636 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 13.6 tptm -174.82 154.21 1.87 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.169 -0.678 . . . . 62.1 109.169 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 67.84 21.35 9.1 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.007 0.432 . . . . 54.13 110.444 176.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.409 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 2.4 t-20 69.27 14.29 8.57 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.146 -0.934 . . . . 53.34 110.237 -178.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.55 155.49 30.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.981 -0.554 . . . . 72.34 110.243 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 46' ' ' VAL . 60.5 tp -138.28 134.47 34.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.831 -0.622 . . . . 72.43 109.558 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.7 m -148.01 152.27 37.15 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.444 -0.344 . . . . 64.2 110.11 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.606 ' HD2' ' HB2' ' A' ' 43' ' ' ARG . 2.6 p90 -135.36 153.69 51.75 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.263 -0.575 . . . . 73.25 111.782 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -128.55 178.05 6.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.152 -0.931 . . . . 74.23 109.973 -175.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.719 ' HE2' HH21 ' A' ' 66' ' ' ARG . 89.1 mttt -53.06 -50.79 63.63 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.456 0.472 . . . . 71.42 110.59 175.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 t -167.17 -165.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.296 -0.631 . . . . 74.33 109.296 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.415 ' C ' ' H ' ' A' ' 60' ' ' GLU . 35.5 tt0 -62.34 -31.16 71.75 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 122.992 0.517 . . . . 71.45 112.388 -170.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.27 44.66 0.43 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.849 0.833 . . . . 54.05 110.088 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.579 ' HA ' ' HB2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -56.19 -20.64 18.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.688 -1.142 . . . . 54.11 113.041 -177.355 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 t -53.11 -38.96 63.07 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.429 0.456 . . . . 74.43 112.055 -174.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -114.71 6.11 15.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 70.55 111.142 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.579 ' HB2' ' HA ' ' A' ' 60' ' ' GLU . 15.1 m-30 -92.05 -37.28 12.89 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.924 -0.311 . . . . 74.05 111.431 -175.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.04 159.5 22.56 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.426 -0.892 . . . . 54.13 111.743 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.8 p -81.97 133.36 35.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.319 0.58 . . . . 73.51 111.285 -176.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.719 HH21 ' HE2' ' A' ' 56' ' ' LYS . 19.3 mmt85 -90.64 -29.23 17.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.507 -0.769 . . . . 73.43 110.482 178.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -157.43 147.55 15.86 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.614 -0.721 . . . . 51.41 111.466 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.8 p -148.03 132.44 17.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.613 0.244 . . . . 72.32 110.786 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.533 HD11 HD23 ' A' ' 52' ' ' LEU . 40.1 pt -137.76 167.21 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.049 0.452 . . . . 74.13 111.279 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 59.0 m -115.75 130.93 57.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.558 -0.746 . . . . 74.23 109.756 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.61 ' HB3' HG23 ' A' ' 112' ' ' ILE . 4.1 mm? -84.22 18.66 2.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.363 -0.381 . . . . 74.51 111.231 -175.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.2 m -84.43 -16.46 42.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.371 -0.377 . . . . 74.45 110.923 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.22 4.31 1.61 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.874 0.368 . . . . 74.42 111.586 178.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.641 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -74.2 139.56 44.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.318 -0.401 . . . . 65.43 111.144 178.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.7 t -97.15 115.22 36.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.199 -0.455 . . . . 72.41 110.612 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.434 HG22 ' HD2' ' A' ' 86' ' ' PHE . 41.8 mt -72.55 110.66 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 73.34 109.766 176.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.8 m -106.75 111.8 63.73 Favored Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 120.869 -0.332 . . . . 75.51 111.274 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.3 113.12 2.12 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.133 1.889 . . . . 74.31 109.814 171.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.927 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 6.9 t60 -63.08 137.52 58.27 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.681 -0.407 . . . . 64.32 109.949 -175.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -63.64 -45.08 91.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.139 -0.482 . . . . 74.42 111.384 -169.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -81.81 -18.45 43.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.074 -0.512 . . . . 73.4 111.08 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.927 ' HB2' ' HB3' ' A' ' 79' ' ' HIS . 3.1 m-20 -114.2 115.12 26.96 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.783 0.661 . . . . 64.12 112.783 -166.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -80.84 -23.76 38.9 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.583 -0.735 . . . . 64.51 110.264 174.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 71.5 m -96.49 -6.25 37.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.036 -0.529 . . . . 61.53 111.084 -178.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.841 ' HD2' ' HB3' ' A' ' 96' ' ' TYR . 13.0 ttp180 -115.8 134.89 54.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.84 0.829 . . . . 74.02 112.275 -174.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.434 ' HD2' HG22 ' A' ' 76' ' ' ILE . 30.1 m-85 -129.94 116.69 18.99 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.157 -1.383 . . . . 74.53 108.831 176.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.553 ' HA ' ' O ' ' A' ' 95' ' ' TRP . 2.8 p-10 -91.71 113.32 25.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.034 0.921 . . . . 65.43 111.006 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.573 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 31.0 mm -83.17 102.33 9.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 114.533 -1.212 . . . . 74.53 109.878 -179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.0 t -100.21 117.19 33.92 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.99 0.424 . . . . 71.43 110.728 -176.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.8 HG22 HD22 ' A' ' 91' ' ' ASN . 11.0 p -150.82 130.1 3.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.886 -0.597 . . . . 65.32 110.015 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.8 HD22 HG22 ' A' ' 90' ' ' VAL . 39.3 m-80 56.72 31.02 18.61 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.387 0.514 . . . . 63.22 112.387 177.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.4 t70 72.19 19.36 4.51 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.858 0.837 . . . . 71.41 111.194 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.4 m -110.56 101.01 9.72 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.067 -0.716 . . . . 55.43 109.067 171.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.437 ' CG1' ' HB2' ' A' ' 87' ' ' ASP . 38.7 t -96.47 116.38 38.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.131 -0.486 . . . . 63.21 110.355 -178.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.585 ' CZ3' ' HB3' ' A' ' 54' ' ' TYR . 28.1 m95 -104.57 98.66 8.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.133 -0.485 . . . . 74.25 111.036 -175.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.841 ' HB3' ' HD2' ' A' ' 85' ' ' ARG . 57.1 m-85 -75.82 78.25 2.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.29 -0.414 . . . . 72.34 110.965 -178.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 85' ' ' ARG . 86.9 mt -80.14 145.04 32.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.304 -0.258 . . . . 73.35 110.304 -177.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.722 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 5.7 mtm180 -131.17 145.56 52.0 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.306 -0.257 . . . . 65.13 110.306 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.04 172.7 12.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.03 -0.532 . . . . 41.13 110.646 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.416 HE21 ' HB2' ' A' ' 100' ' ' GLN . 1.5 mp0 . . . . . 0 C--N 1.326 -0.421 0 CA-C-O 121.082 0.468 . . . . 74.1 111.095 -176.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.475 0 CA-C-O 121.564 0.697 . . . . 75.55 109.693 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -54.16 -17.1 2.46 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 114.935 -1.029 . . . . 75.33 112.212 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -53.25 -45.42 68.79 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 110.247 -0.279 . . . . 73.33 110.247 177.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.513 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 14.1 m95 -70.07 -41.81 73.63 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.501 -0.555 . . . . 73.34 109.501 -175.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.2 mm -60.74 -60.99 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.112 -0.949 . . . . 70.24 110.245 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.81 -42.25 88.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.922 -0.581 . . . . 63.31 111.361 -176.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.65 -57.68 11.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.063 0.458 . . . . 71.23 110.878 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.61 HG23 ' HB3' ' A' ' 71' ' ' LEU . 56.9 mt -66.42 -44.09 90.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.34 -0.391 . . . . 75.02 110.299 -175.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.06 -42.14 76.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.026 0.441 . . . . 71.01 111.803 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -83.43 -21.67 32.89 Favored 'General case' 0 C--N 1.314 -0.961 0 C-N-CA 120.855 -0.338 . . . . 71.22 111.636 -177.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 77.8 m-70 -94.36 -27.74 15.91 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.381 0.882 . . . . 72.34 113.381 -179.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.49 151.03 33.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.235 0.54 . . . . 73.42 111.224 -175.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 35.8 p . . . . . 0 C--O 1.249 1.075 0 CA-C-N 115.326 -0.852 . . . . 64.44 110.339 -176.09 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.197 0.522 . . . . 75.41 109.785 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.691 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 8.6 tpm_? -136.46 120.82 18.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.007 -0.542 . . . . 73.13 110.861 174.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.494 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 7.2 p -126.38 120.73 30.59 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.558 -0.746 . . . . 61.23 109.107 170.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.49 171.06 41.98 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.488 -0.863 . . . . 41.33 111.959 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.02 152.64 3.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.32 0.581 . . . . 75.14 111.374 178.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.662 HD11 ' O ' ' A' ' 96' ' ' TYR . 33.7 tp -122.51 109.94 14.97 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 114.934 -1.03 . . . . 71.32 109.658 178.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 m -80.74 108.91 14.79 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.756 -0.656 . . . . 75.22 110.191 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.469 ' HD2' ' HA ' ' A' ' 32' ' ' LYS . 34.1 tptt . . . . . 0 C--N 1.328 -0.352 0 N-CA-C 109.564 -0.532 . . . . 71.22 109.564 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.237 0.42 0 CA-C-O 120.858 0.361 . . . . 75.13 110.804 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -95.21 97.26 9.76 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.491 -0.929 . . . . 61.44 108.491 171.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.797 ' HD2' ' CE2' ' A' ' 54' ' ' TYR . 20.3 ptt180 -101.45 151.03 22.43 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.01 -0.541 . . . . 74.41 110.384 -174.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.783 ' HB2' ' HA ' ' A' ' 58' ' ' GLU . 63.2 t-105 -85.42 130.89 34.48 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.483 -0.487 . . . . 75.4 110.489 -169.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.675 HG22 ' HB2' ' A' ' 54' ' ' TYR . 60.8 t -127.81 130.64 70.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.155 0.503 . . . . 75.21 110.919 -177.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.463 ' O ' HD12 ' A' ' 52' ' ' LEU . 25.4 t -126.06 128.85 72.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.399 -0.819 . . . . 73.24 111.169 -178.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.8 tt -112.14 123.36 50.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.893 -0.78 . . . . 55.34 108.893 175.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -166.3 140.99 4.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.7 -0.227 . . . . 53.44 110.893 -176.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 58.92 29.11 18.48 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.24 -0.436 . . . . 74.44 111.833 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.708 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 3.0 t-20 72.29 4.06 4.88 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.784 -0.644 . . . . 70.41 110.65 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -107.8 140.23 41.19 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.961 -0.563 . . . . 53.35 109.619 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.722 ' HB2' HD21 ' A' ' 71' ' ' LEU . 29.5 tp -111.81 132.71 54.5 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.882 -0.785 . . . . 73.41 108.882 177.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.564 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 30.3 m -140.7 136.13 32.29 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.841 -0.429 . . . . 63.23 109.841 -177.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.797 ' CE2' ' HD2' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -130.38 157.53 42.34 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.438 -0.505 . . . . 75.3 110.901 -177.777 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.514 ' CD1' ' HD1' ' A' ' 44' ' ' TRP . 3.7 m-85 -129.48 154.76 46.68 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.325 -0.991 . . . . 73.53 108.325 -174.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -36.47 55.27 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.451 0.538 . . . . 74.34 112.451 -174.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.478 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 33.4 t -146.92 166.62 26.22 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.406 -0.59 . . . . 55.1 109.406 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.783 ' HA ' ' HB2' ' A' ' 44' ' ' TRP . 34.7 tt0 -58.86 -25.29 63.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.134 0.492 . . . . 51.05 111.363 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.711 ' HB2' ' HE2' ' A' ' 63' ' ' TYR . 2.2 m-20 -58.07 -26.71 62.88 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.777 -0.647 . . . . 63.41 110.673 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 48.77 -53.48 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 116.671 2.101 . . . . 74.22 116.671 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.49 HG23 ' H ' ' A' ' 62' ' ' GLU . 3.8 t -40.79 -62.29 0.82 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.145 1.165 . . . . 73.23 114.145 -170.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.49 ' H ' HG23 ' A' ' 61' ' ' THR . 9.2 pt-20 -90.54 5.39 47.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.071 0.462 . . . . 64.32 111.522 -173.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.711 ' HE2' ' HB2' ' A' ' 59' ' ' ASP . 61.3 m-85 -98.67 -28.85 13.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.283 -0.417 . . . . 63.52 110.497 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.25 165.23 7.82 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.947 -0.644 . . . . 62.12 112.915 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 p -73.56 91.33 1.82 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.794 0.807 . . . . 55.42 110.798 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -69.02 -46.09 68.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.85 -1.068 . . . . 75.11 110.082 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.564 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -112.0 141.22 16.59 Favored Glycine 0 N--CA 1.439 -1.134 0 CA-C-N 115.124 -0.943 . . . . 74.51 111.09 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 2.8 p -152.13 114.23 4.46 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.893 0.378 . . . . 75.21 110.483 -179.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.559 ' HB ' HG11 ' A' ' 90' ' ' VAL . 36.6 pt -134.33 165.25 32.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.074 -0.512 . . . . 63.23 110.815 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.8 p -108.97 130.69 55.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.567 -0.742 . . . . 62.35 109.973 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.722 HD21 ' HB2' ' A' ' 52' ' ' LEU . 3.9 mm? -83.86 9.44 12.07 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.156 -0.474 . . . . 53.34 110.512 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -62.41 -43.59 98.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.782 -0.645 . . . . 71.2 111.319 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.49 22.08 4.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.216 0.531 . . . . 51.24 110.577 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.455 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -74.76 132.12 41.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.719 -0.673 . . . . 41.41 110.268 174.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.0 t -90.31 124.04 42.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.548 -0.297 . . . . 74.13 110.647 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 53.7 mt -86.0 95.82 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.189 -0.459 . . . . 74.15 110.242 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.736 ' HB ' ' HB2' ' A' ' 87' ' ' ASP . 14.7 m -89.35 120.74 69.73 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.148 -0.478 . . . . 74.42 110.645 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.476 ' HA ' ' CD1' ' A' ' 86' ' ' PHE . 43.9 Cg_endo -70.32 118.91 5.96 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 121.807 1.672 . . . . 73.54 111.154 174.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.962 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 6.1 t60 -63.34 144.62 56.8 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 120.021 -0.672 . . . . 74.5 110.139 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.76 -69.88 0.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.491 -0.777 . . . . 64.34 111.763 -170.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -83.35 -16.27 46.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.108 0.48 . . . . 74.2 110.757 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.962 ' HB2' ' HB3' ' A' ' 79' ' ' HIS . 6.0 m-20 -83.78 149.46 26.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.278 0.561 . . . . 65.34 111.592 -176.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -118.39 -23.18 7.31 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.186 -0.916 . . . . 65.34 109.584 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.5 m -100.85 -8.63 22.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.801 -0.636 . . . . 73.31 110.703 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.479 ' HB3' ' CB ' ' A' ' 82' ' ' ASP . 37.4 ttm180 -103.31 149.3 24.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.364 0.602 . . . . 73.14 111.82 -174.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.488 ' CE2' ' HB3' ' A' ' 105' ' ' ARG . 0.4 OUTLIER -142.4 123.92 14.9 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.832 -1.077 . . . . 73.45 108.964 178.257 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.736 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 1.9 m-20 -88.55 101.48 13.98 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.904 -0.589 . . . . 61.23 110.198 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.737 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 35.4 mm -82.3 100.93 6.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.974 -0.557 . . . . 70.45 110.131 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.0 p -105.75 112.5 25.59 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.323 0.583 . . . . 74.02 111.741 -173.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.559 HG11 ' HB ' ' A' ' 69' ' ' ILE . 13.7 p -143.64 129.63 16.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.88 -0.6 . . . . 74.21 110.403 178.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.503 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 67.1 m-80 53.96 40.2 31.33 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.455 -0.339 . . . . 74.24 111.262 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.503 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 21.3 t70 75.88 -11.04 1.18 Allowed 'General case' 0 C--N 1.319 -0.748 0 O-C-N 123.676 0.61 . . . . 71.34 111.958 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.3 m -85.21 108.89 17.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.964 -0.384 . . . . 73.33 109.964 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 40.6 t -102.81 120.17 52.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.095 0.474 . . . . 73.31 110.476 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.737 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 25.2 m95 -104.63 110.02 22.16 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.83 -0.623 . . . . 70.44 110.301 -176.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.662 ' O ' HD11 ' A' ' 30' ' ' LEU . 7.1 m-85 -81.28 71.75 8.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.083 -0.508 . . . . 71.13 110.297 -177.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.653 HD13 HD13 ' A' ' 30' ' ' LEU . 2.9 mm? -77.93 155.1 31.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.034 0.445 . . . . 53.43 111.475 -174.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -134.52 146.95 50.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.007 -0.542 . . . . 61.21 110.005 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.62 163.21 12.75 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.228 -0.442 . . . . 63.34 109.916 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.507 ' H ' ' NE2' ' A' ' 100' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 121.346 0.593 . . . . 75.01 109.541 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.488 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . 14.0 mmm180 . . . . . 0 C--O 1.242 0.696 0 N-CA-C 107.499 -1.297 . . . . 70.33 107.499 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -68.7 -6.4 26.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 113.247 -1.797 . . . . 53.51 112.417 -168.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -49.86 -54.92 16.47 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 108.385 -0.969 . . . . 73.12 108.385 168.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.691 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 22.2 m95 -76.33 -45.16 33.52 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.43 -1.259 . . . . 75.3 109.544 -172.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 27.9 mm -56.09 -56.24 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.445 -0.798 . . . . 62.14 110.285 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.53 -52.09 66.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.998 -0.546 . . . . 70.25 111.068 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.77 -54.91 31.51 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.483 0.659 . . . . 71.34 111.384 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.706 HG23 ' HB3' ' A' ' 71' ' ' LEU . 60.3 mt -66.92 -51.83 50.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.924 -0.58 . . . . 73.15 111.447 -175.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.599 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 75.1 mm-40 -59.03 -30.3 67.92 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.617 0.246 . . . . 73.52 111.543 -176.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -81.37 -29.93 33.88 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.75 -0.38 . . . . 70.55 111.438 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.708 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 22.6 m-70 -94.6 -16.06 23.53 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 115.477 1.658 . . . . 74.22 115.477 -174.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.684 ' HG3' ' O ' ' A' ' 112' ' ' ILE . 30.0 mtmt -44.05 126.11 4.75 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.341 0.867 . . . . 61.3 113.341 -171.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.232 -0.895 . . . . 73.02 110.295 -179.76 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.856 ' HG2' ' HA ' ' A' ' 48' ' ' LYS . 4.0 mm-40 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 121.071 0.462 . . . . 75.23 110.111 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.572 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . 2.3 tpt180 -121.94 137.6 54.73 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.86 -0.609 . . . . 72.14 110.075 178.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.8 p -147.18 109.2 4.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.82 -0.437 . . . . 72.53 109.82 174.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -169.42 172.59 43.57 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.413 -0.898 . . . . 62.11 112.305 -178.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.497 HG13 ' HE3' ' A' ' 44' ' ' TRP . 1.1 m -89.74 150.41 3.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.461 0.648 . . . . 63.44 112.011 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.6 tp -125.48 123.06 38.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.016 -0.993 . . . . 64.31 109.514 176.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.8 m -87.64 105.25 17.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.02 0.438 . . . . 62.33 110.564 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.9 tptp . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.955 -0.566 . . . . 62.44 109.6 178.217 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.403 HE21 ' HB2' ' A' ' 41' ' ' GLN . 2.8 pt20 . . . . . 0 N--CA 1.447 -0.61 0 N-CA-C 109.415 -0.587 . . . . 52.42 109.415 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -103.54 110.82 23.01 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.565 -0.743 . . . . 72.12 109.542 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -108.41 146.93 32.33 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.255 -0.884 . . . . 55.11 109.865 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.497 ' HE3' HG13 ' A' ' 29' ' ' VAL . 69.5 t-105 -93.98 113.1 25.03 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.681 -0.407 . . . . 74.45 109.983 -176.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.2 m -105.08 140.5 22.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.461 0.648 . . . . 74.22 110.654 -176.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.549 HG12 ' HD2' ' A' ' 48' ' ' LYS . 25.2 t -132.37 117.87 33.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.976 -1.011 . . . . 62.34 110.576 -178.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.572 ' HB3' ' HB3' ' A' ' 26' ' ' ARG . 3.2 tm? -103.31 127.36 50.67 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.297 -1.001 . . . . 54.23 108.297 177.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.856 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -171.06 162.02 6.99 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 109.81 -0.441 . . . . 60.41 109.81 177.038 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 53.15 -148.23 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.121 -1.437 . . . . 74.12 107.121 -168.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -98.68 34.04 2.14 Favored 'General case' 0 C--N 1.307 -1.251 0 C-N-CA 119.651 -0.82 . . . . 41.22 109.135 171.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.83 154.39 49.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.468 0.651 . . . . 71.43 111.855 -175.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.447 HD13 HD23 ' A' ' 47' ' ' LEU . 61.9 tp -127.05 132.99 50.56 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.554 -0.748 . . . . 74.12 109.278 176.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 5.0 m -131.64 163.35 28.3 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.178 -0.465 . . . . 71.45 109.904 -176.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.44 ' HD1' ' CH2' ' A' ' 95' ' ' TRP . 2.7 p90 -147.65 155.9 42.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.034 0.445 . . . . 74.44 110.213 172.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -131.9 168.96 16.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.407 -0.815 . . . . 75.15 108.935 -174.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -62.87 -41.84 99.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.491 -0.322 . . . . 73.41 111.188 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.583 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 23.8 m -152.51 178.15 9.88 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.919 -0.4 . . . . 43.24 109.919 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.98 -27.85 69.41 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.432 0.53 . . . . 74.22 112.432 -173.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.625 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 30.1 t70 -53.02 -34.97 58.8 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 110.46 -0.2 . . . . 75.24 110.46 178.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? 50.48 -42.95 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 116.933 2.197 . . . . 73.53 116.933 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 t -54.96 -52.12 64.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.855 0.752 . . . . 75.13 112.616 -173.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.483 ' HG2' ' OD2' ' A' ' 59' ' ' ASP . 7.2 pt-20 -90.3 2.36 55.57 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.429 -0.508 . . . . 72.43 111.171 -177.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.625 ' CE2' ' HB3' ' A' ' 59' ' ' ASP . 38.4 m-85 -99.22 -30.68 12.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.551 -0.295 . . . . 63.54 110.697 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.18 155.31 3.96 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.887 -0.597 . . . . 63.34 112.486 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.6 p -67.69 102.83 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.503 0.668 . . . . 71.23 110.019 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.429 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 13.8 mmt180 -77.8 -19.48 54.94 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.177 -0.92 . . . . 74.13 110.769 -175.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -157.81 129.62 2.38 Favored Glycine 0 N--CA 1.438 -1.169 0 N-CA-C 110.175 -1.17 . . . . 62.32 110.175 175.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 8.3 t -141.6 124.82 16.42 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.679 -0.489 . . . . 73.21 109.679 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.625 ' HB ' HG11 ' A' ' 90' ' ' VAL . 34.2 pt -127.12 153.89 36.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.115 -0.493 . . . . 44.23 111.309 -176.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 63.4 m -98.47 123.44 42.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.952 -0.567 . . . . 75.42 110.039 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.564 ' HB3' HG23 ' A' ' 112' ' ' ILE . 4.2 mm? -75.53 0.57 16.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.113 -0.494 . . . . 74.14 111.937 -175.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.6 m -68.44 -37.57 80.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.889 0.376 . . . . 73.13 110.561 178.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.88 14.74 14.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 73.51 111.135 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' ' 71' ' ' LEU . . . -90.25 125.57 35.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.97 0.414 . . . . 61.33 110.728 -178.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.6 t -89.59 116.7 31.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.922 -0.581 . . . . 72.21 110.438 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 54.3 mt -82.92 101.57 7.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.806 -0.634 . . . . 74.33 109.952 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.1 m -103.18 104.14 38.78 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 116.323 -0.398 . . . . 54.03 110.309 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.67 141.61 73.39 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.314 2.009 . . . . 73.45 111.836 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.717 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 10.6 t60 -77.7 145.74 36.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.741 -0.837 . . . . 73.12 108.741 176.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -83.25 -54.3 5.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.732 0.301 . . . . 71.11 110.669 -174.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -60.83 -40.86 94.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.072 0.463 . . . . 44.55 110.426 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.717 ' H ' ' HD2' ' A' ' 79' ' ' HIS . 36.2 m-20 -106.74 106.71 17.37 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 116.04 -0.527 . . . . 74.41 110.249 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -70.43 -22.11 62.75 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.044 0.449 . . . . 74.11 110.33 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 63.8 m -87.18 -12.15 47.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.889 -0.596 . . . . 63.23 111.227 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 35.5 ttm-85 -95.26 138.17 33.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 71.24 110.493 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -135.44 119.27 17.28 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.921 -0.581 . . . . 61.54 110.292 -176.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -89.69 118.41 29.28 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.598 -0.728 . . . . 64.45 109.775 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.862 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 26.3 mm -102.84 105.47 18.25 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 115.912 -0.585 . . . . 54.13 110.448 -176.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.4 p -110.03 126.3 53.83 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.334 0.588 . . . . 74.11 111.058 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.625 HG11 ' HB ' ' A' ' 69' ' ' ILE . 4.9 p -147.48 116.39 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.744 -0.662 . . . . 72.43 110.697 -176.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.555 HD22 HG22 ' A' ' 90' ' ' VAL . 50.4 m-80 63.61 -75.95 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.681 -0.691 . . . . 61.12 110.912 -175.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -136.88 -28.29 0.97 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.936 -1.029 . . . . 72.25 109.881 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.0 m -75.48 134.98 40.7 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.542 -0.754 . . . . 42.11 110.896 -172.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 77.3 t -123.72 117.2 50.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.583 -0.735 . . . . 64.24 109.793 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.862 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 17.6 m95 -109.93 101.91 10.71 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.962 -0.563 . . . . 72.44 110.685 -175.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -76.07 80.02 2.91 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.268 -0.641 . . . . 74.34 109.268 175.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 27.3 tp -93.67 169.48 10.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.163 -0.471 . . . . 54.02 109.745 -173.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -153.0 143.59 22.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.025 0.441 . . . . 55.25 110.479 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.09 170.38 16.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.739 -0.664 . . . . 61.51 110.127 175.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 . . . . . 0 C--N 1.321 -0.669 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.74 -178.449 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 . . . . . 0 C--O 1.241 0.649 0 N-CA-C 107.797 -1.186 . . . . 62.54 107.797 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -56.83 -3.15 0.1 Allowed 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 113.253 -1.794 . . . . 75.41 112.097 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -45.48 -52.68 9.92 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.662 -0.866 . . . . 73.14 108.662 167.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.544 ' CH2' ' HD3' ' A' ' 26' ' ' ARG . 11.4 m95 -71.48 -50.42 31.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.045 -0.98 . . . . 72.24 109.949 -176.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.7 mm -57.0 -58.05 7.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.571 -0.741 . . . . 61.43 110.912 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -63.44 -44.88 93.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.803 -0.635 . . . . 64.51 111.428 -176.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.74 -56.29 24.08 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.213 0.53 . . . . 35.41 110.645 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.564 HG23 ' HB3' ' A' ' 71' ' ' LEU . 45.5 mt -65.69 -45.77 91.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.997 -0.547 . . . . 52.21 111.16 -175.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.509 ' HA ' ' OE1' ' A' ' 113' ' ' GLU . 3.9 mm-40 -58.78 -43.07 90.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.82 0.343 . . . . 62.11 111.653 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -78.03 -15.23 59.1 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 120.47 -0.492 . . . . 63.42 111.561 -178.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.439 ' HE2' ' CD ' ' A' ' 25' ' ' GLU . 25.0 m-70 -104.9 -14.7 15.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 114.182 1.178 . . . . 75.22 114.182 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.467 ' HD2' ' C ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -72.58 156.61 38.81 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.061 0.457 . . . . 74.34 110.952 -175.55 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 56.6 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.665 -0.683 . . . . 63.25 110.434 -176.223 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.377 0.608 . . . . 61.21 109.952 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.415 ' HA ' ' HE ' ' A' ' 26' ' ' ARG . 3.1 tpm_? -140.16 122.24 15.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.378 -0.828 . . . . 73.13 110.025 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.9 p -135.15 105.29 6.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.976 -0.556 . . . . 75.03 109.641 174.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.3 177.5 39.25 Favored Glycine 0 CA--C 1.506 -0.519 0 C-N-CA 120.122 -1.037 . . . . 75.11 111.972 -176.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.478 ' HA ' ' O ' ' A' ' 43' ' ' ARG . 27.8 m -91.1 143.24 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-O 121.735 0.778 . . . . 72.32 111.657 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.59 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 60.3 tp -112.64 114.81 27.6 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.802 -1.09 . . . . 71.14 109.029 174.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.52 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 49.0 p -84.2 108.13 16.91 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.025 -0.534 . . . . 75.35 109.669 174.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.432 ' NZ ' ' HB2' ' A' ' 96' ' ' TYR . 10.8 tptm . . . . . 0 C--N 1.324 -0.508 0 C-N-CA 120.878 -0.329 . . . . 74.45 110.316 177.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.52 ' O ' ' HA ' ' A' ' 31' ' ' SER . 1.1 pt20 . . . . . 0 C--O 1.235 0.321 0 N-CA-C 109.555 -0.535 . . . . 73.24 109.555 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -97.93 124.4 42.35 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.469 0.652 . . . . 72.2 109.628 174.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' A' ' 30' ' ' LEU . 15.5 ptp180 -124.21 153.83 41.04 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.266 -0.879 . . . . 62.11 109.268 -178.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -89.82 130.3 36.08 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.097 -0.641 . . . . 72.41 109.421 -177.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.588 HG22 ' HB2' ' A' ' 54' ' ' TYR . 54.2 t -127.53 129.25 70.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 120.959 0.409 . . . . 75.33 110.904 -177.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.465 ' O ' HD12 ' A' ' 52' ' ' LEU . 46.4 t -124.39 126.8 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.371 -0.831 . . . . 44.13 111.099 -178.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.7 tt -114.03 118.44 34.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.682 -0.859 . . . . 65.23 108.682 174.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -168.53 149.3 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.631 -0.259 . . . . 64.15 110.667 -174.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 58.34 30.35 19.45 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.163 0.431 . . . . 74.3 112.163 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.616 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 3.4 t-20 66.29 15.8 10.22 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.696 0.76 . . . . 63.45 110.443 -178.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.44 152.85 37.4 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.64 -0.709 . . . . 73.45 109.716 177.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 46' ' ' VAL . 31.8 tp -123.29 131.08 53.54 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 108.812 -0.81 . . . . 34.22 108.812 175.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -142.89 134.81 26.95 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 109.615 -0.513 . . . . 75.42 109.615 -175.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.588 ' HB2' HG22 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -129.36 150.4 50.73 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.398 0.618 . . . . 73.53 110.805 -177.677 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -135.39 -174.02 3.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.1 -0.955 . . . . 64.25 109.543 -173.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -73.76 -51.89 15.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.93 -0.577 . . . . 73.34 110.098 173.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.67 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 16.4 m -142.85 -178.06 5.63 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.495 -0.187 . . . . 61.32 110.495 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -70.37 -25.82 63.43 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 122.469 0.308 . . . . 74.21 111.409 -175.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -75.61 49.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.455 0.645 . . . . 75.44 110.006 173.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.552 ' HA ' ' HB2' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -54.57 -8.52 0.24 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 114.47 1.285 . . . . 71.15 114.47 -175.392 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.0 t -67.66 -31.44 71.44 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.464 -0.494 . . . . 75.4 110.638 177.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -101.93 -1.62 31.57 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.056 0.455 . . . . 64.11 110.321 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.67 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 41.8 m-85 -110.05 -10.03 14.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.994 -0.548 . . . . 65.13 110.568 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.84 -102.89 1.19 Allowed Glycine 0 C--N 1.335 0.499 0 CA-C-N 115.639 -0.71 . . . . 60.24 112.283 170.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 51.0 t -169.84 117.81 0.59 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.722 -0.844 . . . . 63.24 108.722 175.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.432 ' HA ' ' HD3' ' A' ' 66' ' ' ARG . 25.0 mmt85 -90.25 -15.2 31.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.059 -0.519 . . . . 75.15 110.336 -175.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.89 132.1 2.12 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.447 -0.797 . . . . 51.43 111.354 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 p -142.44 120.25 11.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.868 0.366 . . . . 73.34 110.885 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.567 ' HB ' HG11 ' A' ' 90' ' ' VAL . 24.8 pt -128.31 152.99 37.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.177 -0.465 . . . . 63.02 111.536 -178.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 85.1 m -98.95 122.25 41.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.768 -0.651 . . . . 62.05 109.941 175.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.995 HD23 HG12 ' A' ' 112' ' ' ILE . 5.1 mp -74.75 1.61 12.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.766 -0.652 . . . . 64.12 111.639 -174.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.8 t -79.89 -36.17 36.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.234 -0.439 . . . . 74.22 110.247 176.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.489 ' HB2' HG23 ' A' ' 90' ' ' VAL . 2.0 mmmm -92.51 -20.17 21.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.207 0.527 . . . . 64.04 109.982 -179.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.761 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -70.56 138.64 51.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.47 -0.786 . . . . 45.42 112.194 -172.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.4 t -97.66 132.33 42.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.521 -0.763 . . . . 53.3 109.333 175.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.458 HG22 ' HD3' ' A' ' 78' ' ' PRO . 21.4 mt -85.84 121.06 36.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.248 0.547 . . . . 53.24 111.242 -178.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.855 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 51.0 m -116.52 95.94 46.94 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.524 -0.762 . . . . 74.52 110.336 175.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.458 ' HD3' HG22 ' A' ' 76' ' ' ILE . 50.7 Cg_endo -70.66 125.98 12.24 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 121.776 1.651 . . . . 72.23 110.516 175.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.554 ' HB2' ' HG2' ' A' ' 85' ' ' ARG . 20.1 t60 -62.47 140.72 58.6 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.141 -0.624 . . . . 63.42 109.798 -179.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -78.32 -60.65 2.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.073 -0.512 . . . . 65.12 111.673 -174.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -64.87 -20.72 66.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.571 -0.286 . . . . 74.42 111.735 -177.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.605 ' HB3' ' HB3' ' A' ' 85' ' ' ARG . 9.9 t70 -109.95 145.41 36.97 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.29 -0.564 . . . . 71.02 110.567 -177.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -92.21 -6.73 50.02 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.988 -0.551 . . . . 73.42 111.777 -173.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.58 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 59.2 m -138.48 -17.19 1.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.916 0.709 . . . . 65.11 112.916 -178.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.605 ' HB3' ' HB3' ' A' ' 82' ' ' ASP . 0.8 OUTLIER -61.61 133.46 55.67 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.306 0.574 . . . . 74.43 109.852 175.314 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.509 ' HD1' ' HD2' ' A' ' 105' ' ' ARG . 55.3 t80 -135.65 124.0 23.3 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.266 -0.879 . . . . 75.23 110.432 -169.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.855 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 10.0 t70 -105.16 135.75 45.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.165 -0.471 . . . . 75.34 110.124 -177.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.463 HD11 ' HD2' ' A' ' 86' ' ' PHE . 3.7 mp -125.34 113.94 37.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.733 -0.667 . . . . 70.1 109.51 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.2 p -115.72 119.45 36.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.225 0.536 . . . . 53.4 112.017 -174.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.761 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 7.2 p -160.71 140.09 3.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 115.875 -0.602 . . . . 72.25 110.769 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.55 HD22 HG22 ' A' ' 90' ' ' VAL . 62.7 m-80 52.09 34.53 14.31 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.122 0.415 . . . . 75.11 112.122 -178.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.409 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 23.7 t70 74.55 -11.38 1.03 Allowed 'General case' 0 C--N 1.319 -0.731 0 O-C-N 123.68 0.613 . . . . 51.14 111.821 -176.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.7 m -81.25 108.79 15.18 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.71 -0.478 . . . . 72.5 109.71 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 42.5 t -104.25 114.03 42.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.939 -0.573 . . . . 71.12 109.956 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.439 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 14.2 m95 -99.54 132.55 44.8 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.499 -0.773 . . . . 74.45 110.222 -177.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.432 ' HB2' ' NZ ' ' A' ' 32' ' ' LYS . 2.2 m-85 -114.71 84.49 2.08 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.941 -0.304 . . . . 73.22 110.182 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.503 HD21 HG11 ' A' ' 45' ' ' VAL . 10.6 mp -95.99 -174.07 3.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.246 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 85' ' ' ARG . 22.8 ttt180 -157.25 143.11 17.64 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.383 -0.599 . . . . 62.23 109.383 177.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.587 ' CB ' ' HA ' ' A' ' 105' ' ' ARG . . . -80.76 -172.7 3.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.074 -0.512 . . . . 63.35 110.442 176.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.426 ' HG2' ' H ' ' A' ' 100' ' ' GLN . 47.5 mm-40 . . . . . 0 N--CA 1.464 0.261 0 O-C-N 124.128 0.893 . . . . 74.12 111.801 -175.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.587 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . 44.1 ttp180 . . . . . 0 C--O 1.241 0.635 0 N-CA-C 108.523 -0.917 . . . . 72.11 108.523 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.508 ' HA ' HG12 ' A' ' 109' ' ' ILE . 15.5 pt20 -62.98 -8.22 6.81 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 114.479 -1.237 . . . . 74.22 111.59 -174.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -50.87 -46.11 60.23 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.105 0.478 . . . . 72.14 109.862 173.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.465 ' O ' HG13 ' A' ' 112' ' ' ILE . 11.0 m95 -73.13 -38.25 66.34 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.158 -0.682 . . . . 73.13 109.158 -177.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.508 HG12 ' HA ' ' A' ' 106' ' ' GLN . 36.5 mm -57.8 -58.35 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.628 -0.715 . . . . 73.1 109.893 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -55.55 -50.64 69.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.557 -0.292 . . . . 33.13 111.363 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.67 -56.62 17.24 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.265 0.555 . . . . 64.45 111.432 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.995 HG12 HD23 ' A' ' 71' ' ' LEU . 30.1 mt -68.51 -46.06 80.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.188 -0.46 . . . . 70.31 111.099 -175.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -55.61 -40.72 72.45 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.787 0.327 . . . . 62.02 111.45 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -81.04 -25.58 37.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.358 -0.383 . . . . 74.13 111.966 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.616 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 21.4 m-70 -93.44 -22.94 18.59 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.629 0.974 . . . . 73.3 113.629 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.33 164.9 23.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.108 0.48 . . . . 54.02 111.34 -175.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.5 p . . . . . 0 C--O 1.25 1.127 0 CA-C-N 115.752 -0.658 . . . . 74.43 110.548 -179.154 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 121.231 0.539 . . . . 74.34 109.722 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.673 ' HG2' ' CH2' ' A' ' 108' ' ' TRP . 3.4 tpm_? -159.76 128.09 4.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.477 -0.783 . . . . 75.32 109.699 179.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 p -142.19 114.01 8.01 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.568 -0.53 . . . . 42.35 109.568 174.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -165.33 173.82 41.12 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.246 -0.978 . . . . 75.24 112.258 -177.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 m -86.69 137.26 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.461 0.648 . . . . 71.44 110.932 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.422 HD11 ' O ' ' A' ' 96' ' ' TYR . 10.4 tt -117.53 121.29 40.59 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.116 -0.947 . . . . 61.51 108.986 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.442 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 17.6 m -92.54 108.19 19.79 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.096 0.474 . . . . 70.32 110.917 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.7 tptt . . . . . 0 C--N 1.325 -0.499 0 N-CA-C 109.358 -0.608 . . . . 73.15 109.358 178.949 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.442 ' O ' ' HA ' ' A' ' 31' ' ' SER . 59.3 tp60 . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 109.582 -0.525 . . . . 64.1 109.582 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 4.3 p-10 -95.2 125.23 39.7 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.487 -0.778 . . . . 73.21 109.564 177.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.462 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 17.5 ptt180 -127.5 141.77 51.57 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.688 -0.687 . . . . 70.24 109.821 178.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.543 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 72.1 t-105 -84.95 119.2 25.11 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.877 -0.329 . . . . 74.11 110.18 -173.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.601 HG12 ' HB2' ' A' ' 54' ' ' TYR . 21.9 m -115.39 139.73 40.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-O 121.135 0.493 . . . . 72.51 110.29 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.457 HG13 ' HB2' ' A' ' 53' ' ' SER . 7.2 p -138.69 133.07 41.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.697 -0.683 . . . . 72.45 110.286 -177.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.3 tt -119.34 125.31 48.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.527 -0.546 . . . . 64.42 109.527 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -172.57 149.23 2.07 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.745 -0.465 . . . . 63.4 109.745 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.6 m120 64.13 22.93 13.04 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.269 0.356 . . . . 72.12 110.865 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.839 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 16.4 t-20 68.49 11.48 8.36 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.999 0.904 . . . . 73.44 110.353 -178.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.54 137.73 47.86 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.359 -0.837 . . . . 60.4 109.795 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' ' 68' ' ' SER . 49.7 tp -110.48 135.42 51.18 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.44 -0.578 . . . . 75.23 109.44 177.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.457 ' HB2' HG13 ' A' ' 46' ' ' VAL . 72.6 m -135.52 147.52 48.84 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.095 -0.502 . . . . 75.12 110.406 -173.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.601 ' HB2' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -140.89 150.79 43.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.496 0.665 . . . . 65.24 111.177 175.373 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.498 ' CD1' ' HD1' ' A' ' 44' ' ' TRP . 10.5 m-85 -128.12 162.14 27.62 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 114.628 -1.169 . . . . 61.34 108.13 -177.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.518 ' HB2' ' CD1' ' A' ' 63' ' ' TYR . 2.3 mmmp? -59.54 -21.31 60.07 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.717 1.006 . . . . 73.11 113.717 -173.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.1 t -174.26 -175.09 0.95 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.243 -1.021 . . . . 70.03 108.243 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.42 -28.07 67.98 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.515 0.561 . . . . 63.11 112.515 -172.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.571 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 15.7 t70 -46.03 -43.87 14.78 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.24 0.337 . . . . 71.42 111.479 -178.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.548 ' HA ' ' HD2' ' A' ' 63' ' ' TYR . 8.0 pt-20 49.12 -36.08 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.608 1.963 . . . . 65.53 116.067 -175.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 p -63.61 -43.48 96.78 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.196 0.813 . . . . 71.2 113.196 -171.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.466 ' HG2' ' OD1' ' A' ' 59' ' ' ASP . 10.0 pt-20 -80.73 -15.17 57.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.311 0.577 . . . . 72.11 110.132 -177.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 59' ' ' ASP . 23.7 m-85 -86.77 -32.92 20.12 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.383 -0.826 . . . . 70.23 111.198 -173.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.437 ' O ' ' HE2' ' A' ' 55' ' ' TYR . . . 75.52 -70.31 1.94 Allowed Glycine 0 C--O 1.229 -0.188 0 C-N-CA 121.194 -0.527 . . . . 71.33 111.838 -178.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 21.7 p -175.14 127.85 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.772 -0.825 . . . . 74.23 108.772 173.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.482 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 14.9 mmt85 -111.57 -8.35 14.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.251 0.548 . . . . 62.13 110.848 -174.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.77 135.64 3.6 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.495 -1.042 . . . . 42.33 110.495 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 25.5 t -150.93 137.63 18.88 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 110.026 -0.361 . . . . 71.22 110.026 -178.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.536 ' HB ' HG11 ' A' ' 90' ' ' VAL . 20.2 pt -138.52 153.88 26.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.198 -0.456 . . . . 74.2 110.309 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 84.0 m -99.13 125.2 44.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.216 -0.447 . . . . 51.12 109.99 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.005 HD23 HG12 ' A' ' 112' ' ' ILE . 6.8 mp -83.14 27.7 0.55 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.952 -0.567 . . . . 74.14 111.023 -175.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.2 t -60.94 -60.46 3.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 74.33 110.305 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.27 19.31 9.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.325 -0.398 . . . . 74.2 110.668 178.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.46 110.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 72.22 109.884 176.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 50.5 t -70.94 120.89 19.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.0 -0.545 . . . . 70.23 110.879 -174.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.522 HD11 HD12 ' A' ' 112' ' ' ILE . 55.9 mt -82.24 110.11 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.954 -0.566 . . . . 44.24 109.753 176.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 1.056 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 1.1 m -93.9 103.78 11.28 Favored Pre-proline 0 C--N 1.313 -1.001 0 CA-C-N 115.923 -0.58 . . . . 62.22 109.698 176.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.52 ' HD3' ' O ' ' A' ' 76' ' ' ILE . 12.3 Cg_exo -70.46 111.36 2.93 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.408 2.072 . . . . 71.35 111.417 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.507 ' HB3' ' HB3' ' A' ' 85' ' ' ARG . 2.0 t60 -74.7 103.05 4.83 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.723 -0.843 . . . . 63.43 108.723 178.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -72.64 -45.43 59.02 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.359 -0.837 . . . . 72.05 111.37 -165.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -66.82 -24.42 66.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.796 -0.638 . . . . 73.34 110.573 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -86.21 -38.29 17.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.277 -0.419 . . . . 64.32 110.222 -177.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 75.54 -31.55 0.2 Allowed 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.258 1.023 . . . . 74.13 111.733 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 57.4 m -107.6 -13.28 15.09 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.249 -0.432 . . . . 73.11 111.238 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.507 ' HB3' ' HB3' ' A' ' 79' ' ' HIS . 15.4 ttm-85 -94.08 143.18 26.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.428 0.633 . . . . 55.42 111.821 -174.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.63 ' HE2' ' HB2' ' A' ' 105' ' ' ARG . 43.7 m-85 -133.77 127.33 32.51 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.967 -1.015 . . . . 73.52 109.915 177.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 1.056 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 11.6 t70 -94.93 136.07 35.69 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.662 -1.154 . . . . 54.14 109.88 -178.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.746 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 27.3 mm -114.48 106.5 20.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 110.177 -0.305 . . . . 74.11 110.177 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.3 p -114.14 111.11 21.05 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.584 0.707 . . . . 73.13 111.487 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.565 HG22 HD22 ' A' ' 91' ' ' ASN . 12.4 p -137.83 123.23 24.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.556 -0.747 . . . . 65.22 109.798 178.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.565 HD22 HG22 ' A' ' 90' ' ' VAL . 57.1 m-80 60.87 28.88 18.63 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.663 -0.244 . . . . 60.24 111.193 -178.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.9 t70 75.42 -6.55 1.95 Allowed 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.717 0.635 . . . . 73.31 111.659 -175.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.9 m -74.87 112.92 11.57 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.008 -0.738 . . . . 74.3 109.008 173.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.5 t -107.43 124.78 63.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.014 0.435 . . . . 62.24 111.501 -172.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.746 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 24.7 m95 -116.75 115.59 25.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.837 -0.62 . . . . 75.34 110.377 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.422 ' O ' HD11 ' A' ' 30' ' ' LEU . 21.0 m-85 -92.98 97.28 10.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.618 -0.265 . . . . 74.32 110.439 -179.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.8 mp -106.69 158.74 16.74 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.08 -0.341 . . . . 75.22 110.08 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.495 ' HG3' ' CA ' ' A' ' 85' ' ' ARG . 1.8 ttp85 -145.93 155.08 42.62 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.884 -0.326 . . . . 74.21 110.73 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.716 ' HB2' ' HB3' ' A' ' 105' ' ' ARG . . . -72.36 158.0 36.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.048 -0.524 . . . . 75.51 110.488 175.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.013 -0.54 . . . . 61.33 110.865 -178.535 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.716 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . 2.2 ppt_? . . . . . 0 C--O 1.237 0.41 0 CA-C-O 121.374 0.607 . . . . 73.44 110.161 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -55.27 -12.26 0.96 Allowed 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.006 -0.997 . . . . 65.25 111.028 170.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -46.04 -54.14 8.95 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.777 -0.453 . . . . 63.33 109.777 170.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.673 ' CH2' ' HG2' ' A' ' 26' ' ' ARG . 14.5 m95 -70.21 -46.58 64.22 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.404 -0.816 . . . . 75.22 109.49 -173.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.424 ' O ' ' HG2' ' A' ' 113' ' ' GLU . 26.6 mm -55.61 -62.8 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.367 -0.833 . . . . 71.32 110.474 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -60.3 -41.28 93.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.748 -0.66 . . . . 71.15 111.046 -174.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.12 -54.99 40.49 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 121.036 0.446 . . . . 72.35 110.741 178.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 1.005 HG12 HD23 ' A' ' 71' ' ' LEU . 43.9 mt -67.67 -46.44 82.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.419 -0.355 . . . . 72.42 111.15 -176.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 109' ' ' ILE . 8.7 mm-40 -58.8 -36.81 75.06 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.852 0.358 . . . . 63.23 111.374 -178.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -79.95 -31.4 39.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.553 -0.294 . . . . 74.02 111.196 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.839 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 58.5 m-70 -91.86 2.53 56.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.922 0.342 . . . . 70.55 111.922 -179.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.888 ' HE2' ' HA ' ' A' ' 116' ' ' LYS . 7.5 mmpt? -42.07 141.55 0.87 Allowed 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.47 0.915 . . . . 74.3 113.47 175.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.247 0.939 0 CA-C-N 114.449 -1.25 . . . . 72.42 108.849 178.853 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.997 0.427 . . . . 73.02 109.944 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.672 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 3.3 tpm_? -143.55 132.21 22.48 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.017 168.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.0 p -145.26 120.96 10.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.992 -0.549 . . . . 53.54 109.787 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -176.71 169.82 42.38 Favored Glycine 0 C--O 1.228 -0.281 0 C-N-CA 120.127 -1.035 . . . . 34.45 112.606 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.908 HG13 ' HE3' ' A' ' 44' ' ' TRP . 2.7 m -92.46 150.32 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.091 0.472 . . . . 71.44 110.883 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.446 ' O ' ' HA ' ' A' ' 42' ' ' ASP . 3.6 pp -128.63 142.77 50.93 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.581 -0.736 . . . . 63.3 109.138 173.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.6 p -105.5 102.61 12.07 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.826 -0.625 . . . . 75.32 110.219 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.289 -0.414 . . . . 64.31 110.381 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 N--CA 1.447 -0.578 0 CA-C-O 121.255 0.55 . . . . 63.2 110.837 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.446 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 4.2 m-20 -97.84 117.88 33.16 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.744 -1.117 . . . . 71.03 109.159 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -126.09 147.87 49.49 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.08 -0.509 . . . . 74.13 110.171 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.908 ' HE3' HG13 ' A' ' 29' ' ' VAL . 64.8 t-105 -96.34 118.69 33.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.304 -0.407 . . . . 72.12 110.085 -173.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.9 m -111.56 141.72 26.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.456 0.646 . . . . 73.0 111.42 -176.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.502 ' O ' HD12 ' A' ' 52' ' ' LEU . 46.3 t -129.97 122.95 55.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 114.88 -1.055 . . . . 63.22 110.633 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 tt -107.68 111.22 23.31 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.671 -0.863 . . . . 72.12 108.671 176.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -157.64 143.19 17.19 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.044 -0.262 . . . . 75.24 111.016 -177.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 54.76 35.61 24.45 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.179 -0.464 . . . . 60.42 111.397 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.536 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 2.7 t-20 68.0 5.7 4.73 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.142 -0.936 . . . . 60.42 111.125 178.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.36 124.59 52.82 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.225 0.536 . . . . 75.54 109.948 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 46' ' ' VAL . 51.6 tp -99.68 131.19 45.83 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.977 -0.749 . . . . 71.22 108.977 177.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 15.5 m -141.77 139.41 32.79 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.17 -0.468 . . . . 61.32 109.835 -175.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.646 ' HB3' ' CZ3' ' A' ' 95' ' ' TRP . 3.0 p90 -124.84 156.07 38.45 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.057 -0.657 . . . . 71.25 111.025 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -127.79 165.64 19.71 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 114.904 -1.043 . . . . 75.44 109.043 -177.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.519 ' HB3' ' CG ' ' A' ' 63' ' ' TYR . 29.4 tptp -57.41 -32.46 66.88 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 123.619 0.574 . . . . 63.45 111.466 -178.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.6 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 8.1 t -171.81 -163.79 0.28 Allowed 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.702 -0.481 . . . . 71.52 109.702 176.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -67.35 -28.21 67.77 Favored 'General case' 0 N--CA 1.461 0.116 0 O-C-N 123.117 0.261 . . . . 70.1 111.362 -173.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.519 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 5.6 m-20 -74.72 47.91 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.358 0.599 . . . . 64.21 110.397 173.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -46.21 -37.76 7.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.722 -1.126 . . . . 72.25 112.409 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.5 p -56.94 -34.87 68.43 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.284 0.476 . . . . 75.21 112.284 -177.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -111.91 4.86 18.53 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.918 -0.313 . . . . 61.51 111.625 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 9.7 m-85 -104.11 -24.53 13.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.693 0.282 . . . . 72.0 110.937 177.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.81 160.23 9.09 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 121.005 -0.617 . . . . 71.54 113.016 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.4 p -72.34 109.96 6.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.137 0.494 . . . . 62.33 110.187 178.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -91.03 -17.64 25.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.916 -0.584 . . . . 72.52 110.762 -175.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -157.84 148.8 18.75 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.978 -0.849 . . . . 70.41 110.978 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 13.2 p -159.43 121.79 3.47 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 117.013 0.407 . . . . 73.5 110.759 -176.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.405 ' HB ' HG11 ' A' ' 90' ' ' VAL . 23.3 pt -128.7 156.87 41.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.148 -0.478 . . . . 71.43 111.251 179.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 85.2 m -99.08 119.39 37.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.47 -0.786 . . . . 63.34 109.676 175.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.877 HD23 HG12 ' A' ' 112' ' ' ILE . 8.2 mp -84.08 25.52 0.82 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.29 0.567 . . . . 65.22 110.699 -175.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.4 m -77.46 -31.76 53.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.378 -0.828 . . . . 52.44 110.452 177.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.22 4.28 4.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.595 -0.73 . . . . 75.54 110.908 -177.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.659 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -65.7 133.5 51.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.122 -0.49 . . . . 45.2 110.946 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.1 t -85.97 108.82 17.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.675 -0.693 . . . . 61.12 110.387 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.8 mt -77.21 107.86 9.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.047 -0.524 . . . . 71.03 109.75 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.2 m -109.2 99.98 38.68 Favored Pre-proline 0 C--N 1.316 -0.889 0 CA-C-N 116.264 -0.426 . . . . 75.13 110.917 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.25 125.1 13.46 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.148 1.898 . . . . 64.05 109.998 172.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.401 ' HB3' ' O ' ' A' ' 82' ' ' ASP . 34.1 t60 -63.38 137.03 58.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.849 -0.426 . . . . 53.05 109.849 -177.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.54 -49.86 43.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.947 0.403 . . . . 34.31 111.13 -172.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -83.15 -11.38 57.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.254 -0.43 . . . . 73.32 111.635 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 79' ' ' HIS . 58.2 m-20 -128.27 107.79 10.06 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 120.665 0.269 . . . . 73.5 110.553 178.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -76.84 -25.69 53.48 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.094 -0.503 . . . . 54.13 110.689 -177.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 98' ' ' ARG . 72.6 m -85.07 -13.69 49.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.107 -0.497 . . . . 64.03 110.81 178.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.4 ' HD2' ' HB2' ' A' ' 79' ' ' HIS . 9.3 ttm180 -94.55 132.44 39.24 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.36 0.6 . . . . 55.14 110.599 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.4 ' CE1' ' HD3' ' A' ' 105' ' ' ARG . 3.8 m-85 -125.41 126.74 45.45 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.494 -0.776 . . . . 74.11 110.335 178.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -108.55 115.54 30.3 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.65 -0.704 . . . . 62.31 109.641 -178.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.472 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 4.1 mp -108.01 113.52 44.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 CA-C-N 115.273 -0.876 . . . . 75.31 109.694 -173.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.1 p -120.37 117.9 28.96 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.211 0.529 . . . . 64.25 111.884 -173.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.659 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 12.5 p -147.16 129.63 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.327 -0.62 . . . . 72.41 109.327 175.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.594 HD22 HG22 ' A' ' 90' ' ' VAL . 48.4 m-80 59.86 27.99 17.41 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.692 0.282 . . . . 73.24 111.329 -178.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 91' ' ' ASN . 5.3 m-20 70.92 2.35 4.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.695 -0.684 . . . . 71.12 112.4 -175.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.8 m -80.06 101.29 8.63 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.644 -0.873 . . . . 61.42 108.644 173.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.1 t -99.19 117.15 43.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.661 -0.7 . . . . 71.52 110.962 -174.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.646 ' CZ3' ' HB3' ' A' ' 54' ' ' TYR . 26.4 m95 -106.64 133.82 50.74 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.468 -0.787 . . . . 73.22 110.26 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -109.47 94.74 5.19 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.005 -0.368 . . . . 61.13 110.005 177.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 79.2 mt -95.9 162.58 13.52 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.254 -0.43 . . . . 70.54 110.058 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.435 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 1.1 ttp180 -140.87 138.53 34.01 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.024 -0.732 . . . . 71.34 109.024 175.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.65 139.46 53.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.64 0.257 . . . . 62.12 110.313 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.372 0 CA-C-O 121.106 0.479 . . . . 64.44 110.474 -178.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.4 ' HD3' ' CE1' ' A' ' 86' ' ' PHE . 13.0 ptp180 . . . . . 0 C--O 1.236 0.38 0 CA-C-O 121.677 0.751 . . . . 64.43 109.307 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -25.14 8.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.249 -1.341 . . . . 74.41 112.491 -174.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -49.86 -50.57 45.16 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.599 0.562 . . . . 74.2 110.688 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.672 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 10.9 m95 -70.21 -49.61 48.46 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.535 -0.757 . . . . 64.15 109.676 -175.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.3 mm -56.06 -55.64 17.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.366 -0.834 . . . . 64.04 110.325 -176.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -61.61 -52.7 63.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.705 -0.68 . . . . 52.23 111.213 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.99 -54.49 38.26 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.354 0.597 . . . . 53.54 111.252 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.877 HG12 HD23 ' A' ' 71' ' ' LEU . 38.2 mt -68.83 -49.14 66.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.926 -0.579 . . . . 71.32 111.656 -174.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -58.78 -37.65 76.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.673 0.273 . . . . 75.53 111.607 -178.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -79.53 -28.34 41.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.487 -0.324 . . . . 64.43 111.754 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 31.9 m-70 -91.01 -23.31 20.42 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 113.473 0.916 . . . . 73.35 113.473 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.554 ' O ' ' HE3' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -69.57 166.88 18.01 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.291 0.567 . . . . 71.4 111.654 -173.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.251 1.159 0 CA-C-N 115.638 -0.71 . . . . 44.03 109.601 176.479 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.454 ' CD ' ' HE2' ' A' ' 115' ' ' HIS . 6.4 mm-40 . . . . . 0 CA--C 1.521 -0.167 0 CA-C-O 121.26 0.553 . . . . 74.52 110.006 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.605 ' NE ' ' HA ' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -156.04 128.46 7.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.791 -0.64 . . . . 71.13 109.886 172.787 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 4.3 p -140.02 123.78 17.38 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.149 -0.478 . . . . 64.04 109.793 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.55 170.7 43.76 Favored Glycine 0 C--N 1.319 -0.364 0 C-N-CA 120.192 -1.004 . . . . 60.51 112.576 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.89 HG13 ' HE3' ' A' ' 44' ' ' TRP . 1.7 m -95.66 141.08 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.146 0.498 . . . . 63.34 111.639 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.608 HD22 ' HA ' ' A' ' 97' ' ' LEU . 34.1 tp -119.98 130.29 54.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.521 -0.763 . . . . 50.52 110.232 174.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.5 p -76.51 94.5 3.71 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.011 -0.54 . . . . 74.11 110.233 176.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 tptp . . . . . 0 C--N 1.324 -0.511 0 N-CA-C 109.492 -0.558 . . . . 53.41 109.492 179.526 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 108.084 -1.08 . . . . 75.32 108.084 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.644 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 65.7 m-20 -93.68 107.44 19.31 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.154 0.502 . . . . 74.35 110.562 -176.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.527 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 3.1 ptm180 -93.91 137.12 33.48 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.374 -0.83 . . . . 73.13 109.481 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.89 ' HE3' HG13 ' A' ' 29' ' ' VAL . 69.1 t-105 -93.0 112.88 25.0 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 109.614 -0.513 . . . . 74.01 109.614 -176.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 22.1 m -109.71 141.21 25.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-O 121.242 0.544 . . . . 74.25 110.792 -175.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.463 ' O ' HD12 ' A' ' 52' ' ' LEU . 36.4 t -131.44 118.55 40.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.106 -0.952 . . . . 65.01 110.689 -177.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.7 tt -103.29 121.78 43.43 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.525 -0.917 . . . . 75.02 108.525 174.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.427 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 57.6 tptt -169.01 141.95 2.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.695 -0.229 . . . . 72.0 110.472 -177.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.52 24.57 14.1 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.387 -0.369 . . . . 72.4 111.169 175.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.595 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 4.1 t-20 72.36 5.03 5.18 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.523 0.729 . . . . 40.22 110.593 -178.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.97 150.3 25.82 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.75 -0.659 . . . . 52.02 109.481 177.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.463 HD12 ' O ' ' A' ' 46' ' ' VAL . 32.1 tp -124.86 132.03 53.37 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.273 -0.64 . . . . 63.42 109.273 176.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.6 m -137.66 153.9 49.77 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.71 -0.677 . . . . 64.3 109.565 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.648 ' HB3' ' CZ3' ' A' ' 95' ' ' TRP . 0.7 OUTLIER -137.09 152.58 50.19 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.228 -0.589 . . . . 72.15 110.5 178.133 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.512 ' HD2' ' HD1' ' A' ' 44' ' ' TRP . 25.7 m-85 -129.35 167.43 17.77 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.236 -0.893 . . . . 72.53 108.592 -174.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.597 ' HB2' ' CG ' ' A' ' 63' ' ' TYR . 31.6 mmmt -58.02 -35.31 71.09 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 123.538 0.524 . . . . 53.15 111.413 -179.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.591 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 15.8 t -171.74 -168.44 0.59 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.396 -0.366 . . . . 73.43 110.043 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -59.76 -28.48 67.43 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 123.349 0.66 . . . . 74.02 111.538 -173.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.542 ' OD2' ' HB3' ' A' ' 62' ' ' GLU . 12.7 t70 -78.59 48.8 0.82 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.893 0.854 . . . . 75.1 109.581 178.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -46.13 -32.99 3.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.252 -1.34 . . . . 75.3 113.236 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 p -58.35 -45.81 87.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.785 0.326 . . . . 55.41 111.552 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.542 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.4 tp10 -85.29 -47.38 10.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.383 -0.371 . . . . 74.11 110.728 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.597 ' CG ' ' HB2' ' A' ' 56' ' ' LYS . 18.2 m-85 -60.9 -31.33 70.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.412 0.523 . . . . 74.33 112.412 -173.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.68 160.06 10.26 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.494 -0.86 . . . . 35.25 113.449 173.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.9 m -64.28 117.95 7.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.219 0.533 . . . . 72.02 110.596 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.481 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 24.1 mmt180 -105.18 -6.43 19.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.815 -0.629 . . . . 72.52 110.844 -178.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -164.63 146.01 10.9 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.318 -0.856 . . . . 63.3 111.178 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.6 t -151.8 125.64 9.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.866 0.365 . . . . 74.21 110.818 -178.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.477 HD13 ' CD1' ' A' ' 95' ' ' TRP . 28.6 pt -136.12 153.84 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.121 -0.49 . . . . 73.03 110.423 176.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 73.5 m -104.93 116.98 32.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.963 -0.562 . . . . 62.24 110.309 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.69 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 8.3 mp -78.75 9.3 4.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.834 -0.621 . . . . 72.41 111.353 -174.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.0 m -66.03 -32.07 73.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.813 -0.63 . . . . 72.25 110.654 176.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.449 ' N ' ' HD3' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -132.69 6.91 4.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.631 -0.713 . . . . 74.31 110.574 -179.053 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.69 ' HB3' ' HA ' ' A' ' 71' ' ' LEU . . . -79.93 125.59 29.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.917 -0.583 . . . . 75.53 110.162 177.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.3 t -83.35 120.14 34.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.846 0.355 . . . . 61.22 111.077 -174.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.542 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 53.7 mt -75.04 118.45 20.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.102 -0.499 . . . . 65.24 110.009 176.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.478 ' HB ' ' CG ' ' A' ' 87' ' ' ASP . 91.5 m -104.77 96.54 10.76 Favored Pre-proline 0 C--N 1.318 -0.767 0 N-CA-C 109.949 -0.389 . . . . 61.2 109.949 173.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.542 ' HD3' ' O ' ' A' ' 76' ' ' ILE . 6.1 Cg_exo -78.41 116.49 3.87 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.381 2.054 . . . . 54.22 110.619 176.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.522 ' HB2' ' HD2' ' A' ' 85' ' ' ARG . 4.1 t60 -59.13 132.02 52.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.999 0.428 . . . . 72.32 109.931 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -78.75 -32.87 46.82 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.25 0.547 . . . . 72.43 110.447 -173.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -75.99 -26.04 56.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.642 -0.708 . . . . 64.15 110.819 176.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.526 ' HB2' ' HB3' ' A' ' 85' ' ' ARG . 11.3 m-20 -117.58 107.48 14.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.38 -0.373 . . . . 75.31 111.105 -176.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 105' ' ' ARG . 47.1 mm-40 -64.59 -22.74 67.05 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.047 -0.524 . . . . 74.33 111.752 -177.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.641 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 64.4 m -104.02 -10.66 17.9 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.747 -0.381 . . . . 71.52 111.715 -177.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.526 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 2.0 ttm180 -93.19 142.29 27.47 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.45 -0.5 . . . . 63.32 110.933 -175.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.74 ' CE1' ' HB3' ' A' ' 97' ' ' LEU . 1.7 p90 -148.38 158.4 44.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.614 -0.721 . . . . 65.43 109.462 176.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.478 ' CG ' ' HB ' ' A' ' 77' ' ' THR . 3.4 p30 -137.04 127.33 26.39 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.272 0.558 . . . . 75.35 110.179 175.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.789 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 42.8 mm -86.05 99.16 7.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.826 -0.624 . . . . 64.52 110.419 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.0 p -95.72 103.1 14.96 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.563 0.697 . . . . 74.03 110.954 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.762 HG22 ' H ' ' A' ' 91' ' ' ASN . 7.4 p -117.31 -173.96 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.253 -1.017 . . . . 75.32 108.253 175.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.762 ' H ' HG22 ' A' ' 90' ' ' VAL . 17.3 m-20 -44.27 101.86 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.492 0.717 . . . . 65.12 112.002 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.4 t70 51.34 32.2 8.1 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 123.408 0.683 . . . . 65.1 112.051 177.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.489 ' HB2' ' CG1' ' A' ' 90' ' ' VAL . 39.3 m -146.33 107.44 4.18 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.012 -0.43 . . . . 52.11 110.579 178.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.8 t -106.77 114.61 46.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.779 -0.452 . . . . 65.3 109.779 177.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.789 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 21.9 m95 -103.08 96.06 6.54 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.215 -0.448 . . . . 62.41 111.735 -174.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -73.38 139.78 46.17 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.022 -0.535 . . . . 64.51 110.12 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.74 ' HB3' ' CE1' ' A' ' 86' ' ' PHE . 45.0 tp -165.07 176.36 8.61 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.782 -0.821 . . . . 71.31 108.782 175.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.531 ' H ' ' HG ' ' A' ' 97' ' ' LEU . 23.2 ttm-85 -154.72 150.27 27.43 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.692 -0.485 . . . . 60.42 109.692 -176.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.641 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . . . -67.93 151.98 46.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.257 -0.428 . . . . 61.11 109.875 174.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.597 ' H ' HE21 ' A' ' 100' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 115.646 -0.706 . . . . 72.54 112.183 -177.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.478 ' O ' HG12 ' A' ' 109' ' ' ILE . 8.1 ptt180 . . . . . 0 N--CA 1.466 0.345 0 CA-C-O 120.791 0.329 . . . . 73.04 111.742 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HG2' ' H ' ' A' ' 106' ' ' GLN . 4.7 pt20 -55.0 -26.15 34.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.903 -0.59 . . . . 74.22 112.403 -178.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -49.18 -56.29 9.71 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 122.335 1.064 . . . . 72.11 109.964 171.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.563 ' CH2' ' HG2' ' A' ' 26' ' ' ARG . 8.3 m95 -78.95 -39.72 33.79 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 113.77 -1.559 . . . . 63.21 109.782 -170.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 105' ' ' ARG . 39.8 mm -55.65 -52.78 44.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.959 -0.564 . . . . 73.34 109.779 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.17 -50.76 69.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.411 -0.359 . . . . 51.54 111.498 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.78 -55.84 27.65 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-O 121.533 0.682 . . . . 75.1 111.148 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.667 HG12 HD23 ' A' ' 71' ' ' LEU . 55.1 mt -65.03 -51.55 64.86 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 CA-C-N 115.75 -0.659 . . . . 75.0 110.703 -176.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.647 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 4.9 mm-40 -50.63 -44.67 57.39 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.176 0.512 . . . . 72.24 111.4 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -76.45 -18.79 58.61 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.087 -0.506 . . . . 55.34 111.591 -177.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.595 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 11.2 m-70 -97.07 -23.86 16.05 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 114.143 1.164 . . . . 72.12 114.143 176.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.647 ' HE2' ' O ' ' A' ' 113' ' ' GLU . 0.0 OUTLIER -86.14 169.76 12.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 118.662 0.664 . . . . 73.13 111.563 -176.622 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 66.9 p . . . . . 0 C--O 1.252 1.235 0 CA-C-N 115.023 -0.99 . . . . 53.21 110.617 -174.027 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.664 ' HG2' ' HA ' ' A' ' 48' ' ' LYS . 4.0 mm-40 . . . . . 0 CA--C 1.52 -0.183 0 CA-C-O 121.271 0.558 . . . . 54.53 110.2 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.716 ' HA ' ' HE ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -141.03 119.51 12.3 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.322 -0.621 . . . . 75.35 109.322 177.84 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 3.6 p -135.88 115.33 12.68 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.471 -0.331 . . . . 74.43 110.199 -179.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -168.48 163.51 37.23 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 119.861 -1.161 . . . . 61.42 113.065 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.851 HG13 ' HE3' ' A' ' 44' ' ' TRP . 4.5 m -92.74 143.85 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.893 0.378 . . . . 74.4 110.566 176.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.599 ' O ' ' HA ' ' A' ' 42' ' ' ASP . 2.5 pt? -139.7 165.57 26.91 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.984 -0.553 . . . . 62.5 110.545 177.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.9 p -97.37 110.77 23.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.409 0.623 . . . . 60.34 111.345 -174.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 16.8 tptm . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 115.933 -0.576 . . . . 75.43 109.845 176.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 120.953 0.406 . . . . 74.13 110.425 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.599 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 8.5 p-10 -94.35 136.47 34.61 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.541 -0.754 . . . . 74.24 110.91 -173.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.558 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 18.9 ptp180 -130.41 150.06 51.81 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.123 -0.944 . . . . 74.33 109.205 176.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.851 ' HE3' HG13 ' A' ' 29' ' ' VAL . 63.4 t-105 -99.47 120.4 39.56 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 123.463 0.477 . . . . 71.2 109.964 -175.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.525 HG12 ' HB2' ' A' ' 54' ' ' TYR . 29.0 m -116.5 144.15 24.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.086 0.469 . . . . 74.34 111.03 -177.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.571 ' O ' HD12 ' A' ' 52' ' ' LEU . 77.2 t -130.0 115.23 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.1 -0.955 . . . . 60.21 111.247 -176.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -101.09 123.47 45.3 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.64 -0.874 . . . . 73.42 108.64 175.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.664 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 60.6 pttt -177.77 160.0 1.47 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 110.082 -0.34 . . . . 75.31 110.082 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 56.67 26.14 10.9 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.281 0.474 . . . . 60.51 112.281 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.566 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 2.8 t-20 67.89 13.64 9.22 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.381 0.61 . . . . 74.33 110.479 -177.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -123.39 172.08 8.95 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.744 -0.662 . . . . 75.12 110.21 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 46' ' ' VAL . 56.0 tp -143.43 138.75 29.55 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.962 -0.563 . . . . 72.41 109.511 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.6 p -142.77 151.45 41.24 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 110.058 -0.349 . . . . 64.12 110.058 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.651 ' HB3' ' CZ3' ' A' ' 95' ' ' TRP . 1.4 p90 -131.71 151.42 51.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.47 0.652 . . . . 63.23 110.922 177.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.485 ' HD1' ' HD1' ' A' ' 44' ' ' TRP . 15.5 m-85 -133.41 173.73 11.16 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.878 -1.055 . . . . 74.43 109.317 -174.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.459 ' HG2' ' HE ' ' A' ' 66' ' ' ARG . 69.5 mmtt -62.78 -49.8 73.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.664 -0.698 . . . . 70.23 111.277 178.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.64 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 50.5 m -147.44 179.79 7.41 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.296 -0.411 . . . . 70.33 110.44 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.41 ' HG3' ' CH2' ' A' ' 44' ' ' TRP . 38.7 tt0 -60.19 -26.69 66.55 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.967 0.728 . . . . 73.5 112.967 -171.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.566 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 16.3 t70 -52.08 -37.74 54.89 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.054 0.39 . . . . 61.32 112.054 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 59.46 -63.59 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.286 1.034 . . . . 71.43 113.629 -173.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.4 t -49.25 -51.9 30.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 114.042 1.127 . . . . 74.33 114.042 -163.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' HG2' ' OD2' ' A' ' 59' ' ' ASP . 14.0 pt-20 -100.2 16.27 24.8 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.883 -0.727 . . . . 44.3 111.267 -177.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.64 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 20.7 m-85 -106.91 -8.04 16.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.625 -0.716 . . . . 73.12 109.859 172.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.34 -114.61 3.89 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.617 -0.72 . . . . 52.11 112.428 171.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 41.6 t -169.32 112.88 0.52 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.335 -0.987 . . . . 73.0 108.335 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.459 ' HE ' ' HG2' ' A' ' 56' ' ' LYS . 29.5 mmt180 -91.35 -11.35 38.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.916 0.389 . . . . 71.11 111.465 -170.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 178.01 145.22 5.85 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.21 -0.756 . . . . 55.3 111.21 177.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.5 t -154.81 139.66 17.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.055 0.455 . . . . 75.3 110.307 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.459 ' HB ' HG11 ' A' ' 90' ' ' VAL . 38.6 pt -134.9 171.22 18.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.677 -0.692 . . . . 74.01 110.234 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.508 ' HB3' ' HD3' ' A' ' 73' ' ' LYS . 8.8 t -120.88 132.28 54.88 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.783 -0.451 . . . . 73.04 109.783 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.585 ' HG ' HG12 ' A' ' 112' ' ' ILE . 4.2 mm? -77.82 -1.69 32.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.29 -0.414 . . . . 74.21 111.484 -176.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.4 m -66.02 -26.94 67.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.212 -0.449 . . . . 63.04 110.949 177.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.508 ' HD3' ' HB3' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -127.13 -10.33 5.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 72.03 111.554 -177.761 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.74 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -70.83 141.44 51.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.885 0.374 . . . . 53.53 111.454 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.5 t -106.16 126.4 61.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.069 -0.514 . . . . 63.45 110.438 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.438 HD11 ' CD1' ' A' ' 112' ' ' ILE . 59.4 mt -80.64 117.39 26.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.028 -0.533 . . . . 63.42 110.011 177.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.695 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 6.5 m -111.57 99.43 44.52 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 116.133 -0.485 . . . . 53.22 110.637 -177.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 77' ' ' THR . 32.7 Cg_endo -65.14 134.8 40.9 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.47 2.114 . . . . 61.53 112.201 -178.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -86.47 114.72 23.46 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.043 -0.725 . . . . 75.33 109.043 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -75.26 -30.4 60.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.76 0.314 . . . . 71.34 111.208 -173.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -70.07 -15.4 62.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.246 0.546 . . . . 73.11 109.812 174.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -115.5 -174.32 2.49 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.204 -1.036 . . . . 65.43 108.204 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -134.27 -19.44 1.94 Allowed 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.166 0.508 . . . . 71.35 109.923 178.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.779 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 59.1 m -122.46 1.42 9.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.741 -0.663 . . . . 61.15 110.951 -177.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.508 ' HB2' ' HG3' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -95.59 133.0 40.14 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.425 0.631 . . . . 52.11 111.081 -179.709 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -138.9 118.17 12.73 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.938 -1.028 . . . . 74.21 110.421 -174.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.695 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 12.9 t70 -90.28 119.3 30.47 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.814 -1.084 . . . . 74.25 110.11 -176.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.853 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 20.2 mm -96.73 110.24 24.48 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 N-CA-C 109.488 -0.56 . . . . 72.11 109.488 -178.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.8 p -115.45 123.32 48.3 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 119.767 -0.773 . . . . 74.03 111.506 -176.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.787 HG22 HD22 ' A' ' 91' ' ' ASN . 9.2 p -164.04 136.63 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.342 -0.845 . . . . 52.32 109.401 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.787 HD22 HG22 ' A' ' 90' ' ' VAL . 28.0 m-80 60.02 23.55 12.71 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.019 0.378 . . . . 70.53 112.019 178.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.526 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 13.7 t70 75.09 -7.35 1.78 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.717 0.635 . . . . 70.1 111.285 -174.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.9 m -79.09 119.58 22.42 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.161 -0.681 . . . . 71.44 109.161 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.39 120.09 59.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.144 -0.48 . . . . 64.04 110.729 -175.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.853 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 35.2 m95 -115.09 106.84 14.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.955 0.407 . . . . 63.34 111.024 -175.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -83.18 94.23 7.82 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.581 -0.281 . . . . 73.44 110.687 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.14 153.01 17.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.368 -0.378 . . . . 75.15 110.097 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.508 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 7.1 ttp85 -149.67 146.68 27.39 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.887 -0.412 . . . . 75.11 109.887 176.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.779 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . . . -68.19 152.8 44.93 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.055 174.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 C--N 1.325 -0.458 0 N-CA-C 109.977 -0.379 . . . . 73.44 109.977 -176.539 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 112.894 0.701 . . . . 64.12 112.894 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -56.67 -24.3 47.88 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.032 0.382 . . . . 65.11 112.032 -174.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -57.49 -48.47 79.13 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.223 0.535 . . . . 73.34 109.634 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.511 ' CH2' ' HG2' ' A' ' 26' ' ' ARG . 13.9 m95 -72.09 -48.38 44.44 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.33 -0.85 . . . . 72.45 109.426 -174.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 26.5 mm -56.01 -56.28 13.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.178 -0.919 . . . . 61.15 110.316 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -60.48 -50.87 71.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.752 -0.658 . . . . 62.42 111.297 -177.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.96 -55.13 34.11 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.194 0.521 . . . . 65.52 111.031 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.585 HG12 ' HG ' ' A' ' 71' ' ' LEU . 61.1 mt -65.89 -51.88 55.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.994 -0.548 . . . . 73.14 111.396 -175.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -60.43 -29.25 68.89 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.05 0.389 . . . . 73.32 112.05 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -86.33 -23.19 26.33 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.709 -0.396 . . . . 74.24 111.778 177.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.566 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 58.1 m-70 -94.58 -18.22 21.61 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.506 0.928 . . . . 64.23 113.506 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.48 ' O ' ' HE3' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -63.26 160.88 14.81 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.114 0.483 . . . . 74.33 111.948 -177.234 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.633 -1.175 . . . . 75.05 109.193 -176.172 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.406 ' CD ' ' HE2' ' A' ' 115' ' ' HIS . 11.2 mm-40 . . . . . 0 CA--C 1.521 -0.146 0 CA-C-O 121.431 0.634 . . . . 71.3 110.122 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.718 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 7.4 tpm_? -136.8 121.24 18.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.685 -0.689 . . . . 63.5 110.494 175.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.2 p -127.46 116.97 21.24 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.245 -1.02 . . . . 70.51 108.245 170.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.54 169.88 40.81 Favored Glycine 0 CA--C 1.506 -0.506 0 C-N-CA 119.746 -1.216 . . . . 74.51 112.713 -178.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.61 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 5.4 m -92.24 136.21 25.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.445 0.64 . . . . 75.11 111.804 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.8 tp -108.13 118.91 38.0 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.96 -1.018 . . . . 73.04 108.914 175.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -88.46 102.05 14.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.933 -0.576 . . . . 74.31 110.491 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 32' ' ' LYS . 32.3 tptt . . . . . 0 C--N 1.326 -0.433 0 N-CA-C 108.741 -0.837 . . . . 75.35 108.741 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 . . . . . 0 N--CA 1.445 -0.719 0 N-CA-C 108.123 -1.065 . . . . 75.04 108.123 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.61 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 8.2 p-10 -93.25 132.37 37.49 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.097 0.475 . . . . 72.01 110.291 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.465 ' HD2' ' CD2' ' A' ' 54' ' ' TYR . 25.4 ptt180 -122.76 150.72 42.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.842 -0.617 . . . . 75.03 109.737 177.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.438 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 61.9 t-105 -92.49 116.99 29.48 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.726 -0.389 . . . . 65.51 110.938 -171.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.1 m -110.61 140.12 31.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.145 0.497 . . . . 62.23 110.775 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 42.1 t -131.59 124.71 54.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.314 -0.857 . . . . 70.3 111.045 -177.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.1 tp -109.37 127.42 54.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.047 -0.524 . . . . 54.4 110.224 176.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -163.22 156.92 19.75 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.62 -0.264 . . . . 63.42 110.418 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.692 ' O ' ' HB3' ' A' ' 115' ' ' HIS . 14.9 m120 70.42 -74.29 0.09 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.729 0.812 . . . . 71.12 110.563 -179.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -176.71 22.71 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 106.543 -1.651 . . . . 63.12 106.543 171.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.19 147.02 51.87 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.064 -1.425 . . . . 72.55 110.306 -173.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 68' ' ' SER . 30.9 tp -113.95 133.76 55.27 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.838 -0.619 . . . . 74.4 109.948 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 m -127.23 166.52 17.58 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.034 -0.53 . . . . 73.43 109.599 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.465 ' CD2' ' HD2' ' A' ' 43' ' ' ARG . 1.4 p90 -150.25 150.7 31.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.324 0.583 . . . . 64.11 111.257 175.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -131.22 179.64 5.89 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.798 -1.092 . . . . 72.34 108.548 -178.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HB2' ' CD1' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -64.43 -44.37 91.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.627 0.251 . . . . 74.42 111.566 177.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.7 t -162.74 -171.32 2.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.555 -0.293 . . . . 72.45 110.45 -176.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.619 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 22.7 tt0 -54.57 -37.14 65.13 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.036 0.754 . . . . 72.52 113.036 -173.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.596 ' OD1' ' HG2' ' A' ' 62' ' ' GLU . 11.4 t70 -47.58 -46.06 27.77 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.472 0.545 . . . . 70.21 112.472 -174.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.619 ' HG3' ' O ' ' A' ' 58' ' ' GLU . 38.5 mt-10 62.98 -51.42 0.19 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.476 1.11 . . . . 73.44 113.774 -176.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.1 t -61.33 -40.22 93.44 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.288 0.847 . . . . 65.33 113.288 -166.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.596 ' HG2' ' OD1' ' A' ' 59' ' ' ASP . 11.0 pt-20 -89.87 6.85 40.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.49 0.662 . . . . 63.21 110.103 -179.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.54 ' CE2' ' HB3' ' A' ' 59' ' ' ASP . 22.4 m-85 -108.12 -33.12 7.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.198 -0.91 . . . . 55.44 110.131 178.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.02 -86.27 1.28 Allowed Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.218 -0.753 . . . . 54.41 111.218 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.2 t -172.13 133.2 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.537 -0.912 . . . . 71.1 108.537 174.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.55 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 9.9 mmm180 -96.38 -33.17 12.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.013 0.435 . . . . 62.32 110.909 -176.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -169.57 155.6 25.84 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.728 -0.748 . . . . 50.31 111.808 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 51.7 p -155.81 134.6 11.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.529 0.204 . . . . 65.33 110.784 -178.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.41 HD13 ' CD1' ' A' ' 95' ' ' TRP . 42.7 pt -127.46 157.07 39.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.38 -0.373 . . . . 64.14 110.359 178.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.527 ' HB3' ' HE2' ' A' ' 73' ' ' LYS . 39.7 t -102.53 133.45 47.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.868 0.366 . . . . 72.23 110.124 177.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.566 HD13 ' HB3' ' A' ' 74' ' ' ALA . 4.3 mm? -80.66 4.78 17.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.239 -0.437 . . . . 44.32 111.279 -178.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.2 t -77.89 -23.24 48.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.925 0.393 . . . . 62.2 110.241 177.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.527 ' HE2' ' HB3' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -133.21 11.23 4.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.308 -0.405 . . . . 73.31 111.126 177.635 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.566 ' HB3' HD13 ' A' ' 71' ' ' LEU . . . -94.73 128.49 41.45 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.427 -0.583 . . . . 71.01 109.427 175.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.4 t -90.56 123.67 42.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.853 0.359 . . . . 73.14 111.173 -176.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.445 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 57.1 mt -82.38 104.63 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.12 -0.491 . . . . 72.33 110.021 174.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.814 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 8.9 m -98.3 104.56 23.9 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 116.074 -0.512 . . . . 62.12 110.337 177.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 76' ' ' ILE . 33.7 Cg_exo -61.44 128.87 26.14 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.516 2.144 . . . . 74.04 111.781 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.785 ' HB3' ' HB3' ' A' ' 85' ' ' ARG . 4.4 t60 -86.48 141.28 29.21 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.757 -0.831 . . . . 75.33 108.757 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -93.59 -42.82 9.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.994 0.426 . . . . 40.34 111.161 -174.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -60.51 -26.21 66.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.661 -0.7 . . . . 73.41 110.563 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.765 ' HB3' ' HB2' ' A' ' 85' ' ' ARG . 26.1 t0 -128.99 121.84 28.81 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 108.894 -0.78 . . . . 72.42 108.894 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.53 -19.18 60.97 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 123.68 0.612 . . . . 73.03 110.357 -176.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.712 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 67.2 m -103.84 -2.96 25.5 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.685 -0.689 . . . . 62.41 111.135 -177.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.785 ' HB3' ' HB3' ' A' ' 79' ' ' HIS . 1.4 tpp180 -87.63 136.84 32.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 64.22 111.966 -177.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.757 ' HE2' ' HB2' ' A' ' 105' ' ' ARG . 42.2 m-85 -135.39 125.52 26.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.23 0.538 . . . . 72.11 110.676 174.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.814 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 9.4 t70 -92.49 103.08 15.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.171 -0.922 . . . . 70.15 110.019 -178.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.835 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 29.0 mm -91.04 93.07 4.17 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 CA-C-N 115.839 -0.619 . . . . 72.51 110.207 -178.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.26 107.82 17.72 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 121.816 0.817 . . . . 60.41 112.186 -174.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.675 HG22 ' H ' ' A' ' 91' ' ' ASN . 9.8 p -100.24 -174.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 106.66 -1.607 . . . . 54.12 106.66 167.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.675 ' H ' HG22 ' A' ' 90' ' ' VAL . 1.3 p-10 -55.72 121.39 9.04 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 118.794 0.725 . . . . 65.1 110.865 175.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.7 t70 75.32 -39.78 0.41 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.286 -1.324 . . . . 72.52 112.693 173.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.4 m -97.13 122.33 40.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 75.41 111.732 -171.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.9 t -118.0 121.4 67.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.962 -0.563 . . . . 63.12 110.077 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.835 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 30.4 m95 -112.72 105.21 13.3 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.677 0.275 . . . . 72.1 110.648 -175.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -80.67 83.76 6.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.422 -0.354 . . . . 74.0 110.262 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.1 mt -84.46 161.21 20.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.118 -0.492 . . . . 72.14 109.909 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.482 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 5.2 ttt180 -157.3 151.93 25.38 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.874 -0.33 . . . . 72.55 110.432 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.712 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . . . -62.53 139.94 58.62 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.39 -0.596 . . . . 62.41 109.39 171.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 116.281 -0.418 . . . . 63.42 110.772 -174.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.757 ' HB2' ' HE2' ' A' ' 86' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.47 0 N-CA-C 112.143 0.423 . . . . 54.32 112.143 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.426 ' HA ' HG12 ' A' ' 109' ' ' ILE . 5.7 pt20 -64.2 -5.62 5.26 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.99 0.367 . . . . 64.1 111.99 -179.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -51.42 -46.73 63.04 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.109 -0.7 . . . . 70.41 109.109 170.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.718 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 14.1 m95 -68.83 -46.84 67.52 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.347 -0.842 . . . . 73.21 109.281 -176.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.426 HG12 ' HA ' ' A' ' 106' ' ' GLN . 23.8 mm -57.49 -60.4 2.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.147 -0.933 . . . . 72.51 110.289 -177.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.8 -51.55 69.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.242 -0.435 . . . . 73.41 110.997 -176.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.11 -57.68 11.52 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.968 0.413 . . . . 72.34 111.031 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 49.8 mt -62.96 -53.07 51.3 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.66 0 CA-C-N 116.412 -0.358 . . . . 71.42 110.942 -176.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -55.73 -36.0 66.77 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.704 0.288 . . . . 72.32 111.599 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -76.85 -30.36 56.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.742 0.306 . . . . 54.13 111.172 177.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.692 ' HB3' ' O ' ' A' ' 49' ' ' ASN . 10.0 m-70 -90.15 -20.26 23.29 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.805 1.039 . . . . 74.51 113.805 -175.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.427 ' H ' ' HG3' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -76.68 159.09 30.51 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.588 0.709 . . . . 43.32 112.221 -176.658 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 46.4 p . . . . . 0 C--O 1.25 1.104 0 CA-C-N 114.803 -1.09 . . . . 62.11 110.543 -177.037 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.412 ' OE1' ' HA ' ' A' ' 48' ' ' LYS . 4.6 mp0 . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 120.881 0.372 . . . . 45.32 111.64 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 3.9 tpm_? -141.67 122.95 14.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.44 -0.346 . . . . 62.41 110.451 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.2 p -146.52 101.75 3.5 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.26 174.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.96 167.67 39.53 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.63 -0.795 . . . . 50.15 112.363 -176.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.857 HG13 ' HE3' ' A' ' 44' ' ' TRP . 2.9 m -84.79 132.85 30.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.529 0.681 . . . . 72.5 111.74 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.563 HD22 HD13 ' A' ' 97' ' ' LEU . 61.7 tp -110.75 126.72 54.88 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.098 -0.955 . . . . 74.3 109.353 177.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.56 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 14.4 p -85.76 114.9 23.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.939 0.399 . . . . 40.33 110.817 178.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.2 tptt . . . . . 0 C--N 1.324 -0.541 0 N-CA-C 108.742 -0.836 . . . . 61.44 108.742 178.483 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.56 ' O ' ' HA ' ' A' ' 31' ' ' SER . 16.8 mm-40 . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 121.086 0.469 . . . . 55.43 110.845 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.627 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 42.2 m-20 -103.96 116.31 32.02 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.115 -0.948 . . . . 73.55 109.878 -178.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.72 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 11.6 ptm180 -107.94 132.52 53.4 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.704 -0.68 . . . . 74.11 109.662 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.857 ' HE3' HG13 ' A' ' 29' ' ' VAL . 68.5 t-105 -81.07 110.1 16.27 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.506 -0.553 . . . . 70.44 109.506 -176.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.601 HG11 HD11 ' A' ' 97' ' ' LEU . 3.0 t -108.65 128.34 64.43 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-O 121.21 0.529 . . . . 73.45 111.101 -173.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.574 ' O ' HD12 ' A' ' 52' ' ' LEU . 45.9 t -124.52 125.14 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.238 -0.892 . . . . 72.45 111.082 -178.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.456 HD23 HD13 ' A' ' 52' ' ' LEU . 3.3 tm? -121.9 119.45 31.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.813 -0.63 . . . . 70.44 109.839 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.412 ' HA ' ' OE1' ' A' ' 25' ' ' GLU . 23.2 pttm -174.88 179.66 1.59 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.237 0.335 . . . . 75.11 111.069 175.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 62.68 -75.92 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.45 0.7 . . . . 34.35 111.185 -175.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.449 HD21 ' HB3' ' A' ' 116' ' ' LYS . 3.7 t-20 -179.75 28.72 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 105.811 -1.922 . . . . 71.03 105.811 172.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -139.31 151.35 46.34 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 113.987 -1.46 . . . . 71.01 110.662 -173.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 46' ' ' VAL . 62.5 tp -120.28 132.15 55.2 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.789 -1.096 . . . . 74.41 108.711 177.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.523 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 20.3 m -141.67 135.38 29.84 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.414 -0.357 . . . . 64.34 110.08 -174.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.72 ' HD2' ' HB2' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -127.06 154.7 44.35 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.421 -0.512 . . . . 75.12 110.841 -179.127 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.431 ' CD1' ' HD1' ' A' ' 44' ' ' TRP . 10.1 m-85 -135.02 175.26 9.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.432 -0.803 . . . . 70.3 109.792 -172.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' A' ' 56' ' ' LYS . 3.4 mmpt? -61.85 -53.01 61.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 71.12 111.319 178.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.562 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 69.9 m -154.75 -164.25 1.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.63 -0.259 . . . . 70.45 110.726 -178.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -66.81 -33.64 76.06 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.331 0.493 . . . . 75.24 112.331 -168.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -78.14 53.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 122.184 0.993 . . . . 74.33 109.262 175.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG3' ' H ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -52.73 -20.36 3.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.048 -1.433 . . . . 73.34 113.728 -177.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.7 t -64.77 -45.63 85.56 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.611 0.226 . . . . 74.41 111.611 -178.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -86.96 -24.79 24.62 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.224 0.535 . . . . 64.25 110.393 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 18.5 m-85 -78.31 -23.41 47.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.122 -0.49 . . . . 74.43 111.697 -175.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.36 153.12 3.78 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.998 -0.62 . . . . 70.32 113.211 173.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.4 p -71.92 104.59 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.44 0.638 . . . . 65.15 110.395 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.443 ' HA ' ' HD3' ' A' ' 66' ' ' ARG . 20.4 mmt180 -77.26 -40.62 44.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.24 -0.891 . . . . 72.34 110.464 -177.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.523 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -134.98 130.46 5.48 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 110.515 -1.034 . . . . 61.12 110.515 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.4 p -144.59 115.28 7.72 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.17 0.509 . . . . 74.12 110.277 -176.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.438 HD13 ' CD1' ' A' ' 95' ' ' TRP . 18.7 pt -121.22 151.42 24.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.898 -0.592 . . . . 72.22 111.654 -177.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 67.7 m -99.35 122.9 43.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.222 -0.899 . . . . 53.24 109.549 178.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.0 HD23 HG12 ' A' ' 112' ' ' ILE . 7.9 mp -85.98 27.24 0.91 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.803 -0.635 . . . . 75.22 111.288 -173.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.8 m -78.38 -28.95 47.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.805 -0.634 . . . . 44.53 110.051 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.72 14.69 3.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.575 -0.739 . . . . 73.42 110.582 -177.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.818 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -71.74 124.85 25.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.763 -0.653 . . . . 74.0 110.743 177.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.8 t -85.39 119.2 33.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.842 -0.617 . . . . 75.12 110.569 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.3 mt -80.68 108.84 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.26 0.552 . . . . 73.22 109.855 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.7 m -113.5 108.02 52.56 Favored Pre-proline 0 C--N 1.316 -0.868 0 CA-C-N 115.423 -0.808 . . . . 73.15 111.175 -174.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -59.9 131.19 38.26 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.047 1.831 . . . . 72.22 110.681 174.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.571 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 32.5 t60 -76.96 153.45 34.58 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.965 -0.694 . . . . 75.53 109.972 -178.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.15 -69.28 0.54 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.99 -0.55 . . . . 74.21 111.113 -172.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -70.62 -34.86 72.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.152 0.501 . . . . 62.4 111.071 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.571 ' H ' ' HD2' ' A' ' 79' ' ' HIS . 7.7 m-20 -98.45 113.68 25.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.016 -0.538 . . . . 73.11 109.884 -177.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -82.35 -27.12 32.36 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.124 0.488 . . . . 65.14 110.903 -176.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 98' ' ' ARG . 20.1 m -86.69 1.2 52.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.342 0.591 . . . . 65.12 109.556 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.837 ' HD2' ' HB3' ' A' ' 96' ' ' TYR . 9.7 tpp180 -104.87 129.35 53.22 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.989 -1.005 . . . . 72.5 111.193 -175.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.517 ' CE1' ' HG3' ' A' ' 105' ' ' ARG . 5.4 m-85 -127.92 125.84 40.35 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.255 -0.884 . . . . 74.32 109.027 174.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.508 ' HA ' ' O ' ' A' ' 95' ' ' TRP . 27.4 t0 -102.21 129.07 48.5 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.023 -0.989 . . . . 64.13 111.002 -173.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.61 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 4.3 mp -104.73 106.77 21.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 CA-C-N 114.658 -1.156 . . . . 72.44 109.372 -176.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.8 m -106.74 116.38 31.83 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.434 0.635 . . . . 73.43 111.352 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.818 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 11.5 p -159.16 145.76 7.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 108.554 -0.906 . . . . 62.35 108.554 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 12.3 m120 63.94 21.16 12.52 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.456 0.169 . . . . 74.35 111.456 177.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 31.4 t70 72.05 -1.07 3.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.438 0.637 . . . . 54.31 110.669 -172.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.3 m -89.28 128.29 35.85 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 109.659 -0.497 . . . . 63.01 109.659 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.4 t -110.28 122.73 65.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.706 -0.679 . . . . 72.21 110.426 -175.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.666 ' HZ3' ' HB3' ' A' ' 54' ' ' TYR . 44.0 m95 -119.46 101.59 8.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.776 0.322 . . . . 74.44 111.858 -174.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.837 ' HB3' ' HD2' ' A' ' 85' ' ' ARG . 52.6 m-85 -83.83 91.94 7.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.599 -0.273 . . . . 71.42 110.908 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.601 HD11 HG11 ' A' ' 45' ' ' VAL . 4.3 mm? -96.32 159.69 14.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.74 0.305 . . . . 71.11 110.988 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 3.2 mtm180 -135.33 149.77 49.82 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.03 -0.359 . . . . 75.3 110.03 176.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.84 142.69 51.24 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.8 -0.444 . . . . 41.01 109.8 175.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.458 ' CD ' ' H ' ' A' ' 100' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 72.32 110.336 -178.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.517 ' HG3' ' CE1' ' A' ' 86' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.375 0 N-CA-C 112.435 0.532 . . . . 73.53 112.435 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -53.26 -17.33 1.68 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.424 -0.353 . . . . 75.43 111.836 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -50.83 -52.42 41.46 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.075 0.464 . . . . 74.44 110.338 173.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.437 ' O ' HG13 ' A' ' 112' ' ' ILE . 14.6 m95 -71.91 -42.88 66.21 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.565 -0.743 . . . . 73.11 109.62 -174.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 28.1 mm -58.77 -60.73 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.365 -0.834 . . . . 75.14 109.98 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -54.41 -48.0 72.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.819 -0.628 . . . . 63.13 111.401 -179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.96 -62.29 1.75 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.465 -0.334 . . . . 74.14 110.928 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 1.0 HG12 HD23 ' A' ' 71' ' ' LEU . 26.1 mt -62.88 -50.37 79.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.624 0 C-N-CA 121.049 -0.26 . . . . 75.11 110.859 -175.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.579 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 7.6 mm-40 -55.06 -37.98 67.44 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.848 0.356 . . . . 72.01 111.69 -177.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -85.58 -17.65 35.64 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.811 0.339 . . . . 70.33 111.461 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -91.43 -29.84 16.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.305 0.854 . . . . 72.33 113.305 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.621 ' C ' ' HE3' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -86.24 179.45 6.91 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.436 -0.506 . . . . 73.11 111.439 -176.483 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 C--O 1.251 1.138 0 CA-C-N 115.977 -0.556 . . . . 74.12 110.09 -178.307 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.781 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 9.2 pt-20 . . . . . 0 N--CA 1.445 -0.695 0 CA-C-O 121.119 0.485 . . . . 71.11 111.103 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 2.8 tpm_? -110.16 111.57 22.99 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.428 -0.953 . . . . 55.03 108.428 165.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.619 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 2.3 p -118.8 109.21 15.78 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 123.573 0.546 . . . . 61.43 110.218 -177.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -161.58 161.89 33.51 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.337 -0.935 . . . . 62.33 112.415 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.866 HG13 ' HE3' ' A' ' 44' ' ' TRP . 0.3 OUTLIER -88.18 133.17 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.733 0.778 . . . . 74.54 111.709 179.793 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.44 HD22 HD22 ' A' ' 97' ' ' LEU . 57.6 tp -104.56 119.86 39.95 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.76 -1.109 . . . . 55.12 109.576 177.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.8 m -83.56 98.92 9.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.852 -0.613 . . . . 62.14 109.907 176.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.418 ' HE3' ' CD1' ' A' ' 96' ' ' TYR . 25.5 tptp . . . . . 0 C--N 1.32 -0.691 0 N-CA-C 109.496 -0.557 . . . . 72.25 109.496 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 109.806 -0.442 . . . . 64.1 109.806 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.443 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 16.1 m-20 -106.49 96.12 6.23 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.507 -0.77 . . . . 72.14 109.335 -178.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.509 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 16.7 ptp180 -93.37 139.24 30.89 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.413 -0.812 . . . . 75.45 110.387 -175.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.866 ' HE3' HG13 ' A' ' 29' ' ' VAL . 67.3 t-105 -94.05 112.12 23.91 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.487 -0.485 . . . . 74.1 110.747 -171.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.744 HG21 HD11 ' A' ' 97' ' ' LEU . 17.1 m -105.25 142.78 17.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 120.924 0.393 . . . . 72.42 110.917 -174.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 52.9 t -131.03 117.04 35.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.491 -0.777 . . . . 61.35 110.804 178.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.781 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 5.7 tt -108.24 105.83 15.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.458 -0.337 . . . . 72.42 110.152 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 49' ' ' ASN . 57.6 tttt -162.3 168.38 22.37 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.814 -0.439 . . . . 63.43 109.814 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.4 ' N ' ' HG2' ' A' ' 48' ' ' LYS . 16.6 m120 71.38 -72.63 0.11 Allowed 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.17 -0.678 . . . . 62.22 109.17 -172.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.624 ' HA ' ' HB3' ' A' ' 115' ' ' HIS . 3.5 t-20 177.5 23.78 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.207 -1.405 . . . . 75.21 107.207 170.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -133.86 147.14 51.14 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 114.658 -1.155 . . . . 51.13 110.175 -176.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.635 HD13 ' HB2' ' A' ' 47' ' ' LEU . 63.8 tp -109.81 125.56 52.86 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.619 -0.882 . . . . 74.53 108.619 173.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 8.6 m -133.87 131.85 39.65 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.022 -0.535 . . . . 65.32 109.751 -172.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.509 ' HD2' ' HB2' ' A' ' 43' ' ' ARG . 3.6 p90 -116.35 152.91 32.95 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.001 -0.68 . . . . 74.14 111.448 -177.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -122.85 170.53 10.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.073 -0.967 . . . . 75.14 108.877 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 63' ' ' TYR . 3.4 tmtp? -60.28 -43.04 96.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.806 -0.633 . . . . 73.54 110.591 -178.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.635 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 41.2 m -154.72 -178.99 7.59 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.572 -0.285 . . . . 72.34 110.891 -178.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 38.8 tt0 -59.32 -29.43 67.63 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.947 0.721 . . . . 64.33 112.947 -172.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.625 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 12.6 t70 -56.21 -31.61 63.64 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.808 0.299 . . . . 75.52 111.808 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 58' ' ' GLU . 30.6 mt-10 63.22 -65.35 0.1 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.143 0.977 . . . . 73.14 113.387 -177.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.7 t -57.47 -50.01 74.42 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.824 1.046 . . . . 51.33 113.824 -163.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.576 ' HG2' ' OD2' ' A' ' 59' ' ' ASP . 8.1 pt-20 -84.92 1.46 47.18 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.426 -0.51 . . . . 72.22 111.215 -175.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.635 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 38.3 m-85 -104.62 -29.77 10.41 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.193 -0.458 . . . . 74.11 111.046 -179.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.55 162.22 13.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.081 -0.58 . . . . 71.1 112.908 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.8 p -76.66 115.73 16.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.289 0.566 . . . . 73.12 109.886 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -88.6 -22.78 23.32 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.683 -0.69 . . . . 65.21 111.261 -174.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -167.41 149.64 15.19 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.498 -0.641 . . . . 43.45 111.498 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.475 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 12.6 p -150.96 127.59 10.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.834 0.35 . . . . 31.54 110.632 -179.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.462 HD13 ' CD1' ' A' ' 95' ' ' TRP . 15.1 pt -118.4 148.87 20.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.242 -0.435 . . . . 75.14 110.908 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.9 m -91.63 117.55 29.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.545 -0.752 . . . . 75.25 110.502 -178.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.776 ' HB3' HG23 ' A' ' 112' ' ' ILE . 4.1 mm? -80.34 68.53 6.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.261 0.553 . . . . 75.31 111.262 -178.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 m -126.08 -62.89 1.14 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.814 -0.63 . . . . 72.25 109.823 176.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 18.46 22.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.098 0.475 . . . . 72.21 110.323 175.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.533 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -76.79 113.71 14.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.641 -0.709 . . . . 60.43 109.287 174.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.1 t -76.83 118.89 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.183 -0.462 . . . . 74.42 111.48 -172.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.581 HG23 ' HD2' ' A' ' 86' ' ' PHE . 59.4 mt -84.63 108.37 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.733 -0.667 . . . . 63.22 110.022 177.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.409 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 23.9 m -116.06 105.73 50.59 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 116.416 -0.357 . . . . 74.23 110.295 177.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 77' ' ' THR . 19.6 Cg_endo -58.49 140.36 94.35 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.235 1.956 . . . . 54.14 111.218 177.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.578 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 9.8 t60 -76.91 153.83 34.29 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.637 -0.425 . . . . 74.23 110.155 -174.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -80.69 -45.04 17.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.177 -0.465 . . . . 73.0 111.728 -174.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -85.55 -30.58 23.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.821 0.343 . . . . 73.12 111.243 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.774 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . 12.6 m-20 -95.61 114.55 26.32 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.153 -0.314 . . . . 71.13 110.153 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -79.59 -25.81 41.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.958 0.409 . . . . 64.35 110.396 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 37.1 m -91.11 -13.84 32.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.876 -0.602 . . . . 64.44 110.772 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.774 ' HB3' ' CB ' ' A' ' 82' ' ' ASP . 23.9 ttm180 -98.69 146.52 25.79 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.025 0.917 . . . . 75.0 112.123 -173.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.63 ' CE2' HD11 ' A' ' 88' ' ' ILE . 0.4 OUTLIER -131.39 139.97 49.57 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 113.933 -1.485 . . . . 65.24 109.099 176.354 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -102.84 126.75 50.11 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.545 -0.752 . . . . 73.51 109.783 -177.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.829 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 32.2 mm -103.12 109.93 28.26 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 CA-C-N 115.861 -0.609 . . . . 73.11 110.216 179.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.9 p -113.23 105.37 13.35 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.622 0.725 . . . . 61.43 110.798 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.533 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 6.3 p -136.65 120.59 23.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.501 -0.772 . . . . 63.43 110.461 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.41 HD22 ' N ' ' A' ' 91' ' ' ASN . 0.9 OUTLIER 63.2 22.28 13.28 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 111.6 0.222 . . . . 63.43 111.6 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.7 t70 75.35 6.57 4.09 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 123.305 0.642 . . . . 72.41 111.012 -174.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.0 m -84.95 110.96 19.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.41 -0.959 . . . . 62.21 108.41 169.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.8 t -104.77 126.26 59.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.243 -0.435 . . . . 74.24 111.184 -172.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.829 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 37.1 m95 -120.3 109.67 15.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.076 -0.511 . . . . 65.11 111.191 -178.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.418 ' CD1' ' HE3' ' A' ' 32' ' ' LYS . 12.0 m-85 -90.83 84.16 5.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.168 -0.469 . . . . 64.24 110.229 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.744 HD11 HG21 ' A' ' 45' ' ' VAL . 2.7 mm? -103.55 157.32 17.13 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.457 -0.497 . . . . 63.22 109.912 -176.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.65 ' HA ' ' HA ' ' A' ' 85' ' ' ARG . 12.9 ttm180 -142.97 144.0 32.17 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.527 -0.469 . . . . 63.43 110.825 -174.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.85 174.11 8.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.847 -0.615 . . . . 63.15 110.339 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.076 -0.511 . . . . 64.0 110.4 -178.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 . . . . . 0 C--O 1.235 0.302 0 CA-C-O 121.63 0.728 . . . . 65.33 109.585 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -54.92 -19.37 6.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.755 -1.111 . . . . 72.13 112.325 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -54.29 -41.64 69.15 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.024 0.44 . . . . 60.43 109.926 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 17.0 m95 -73.07 -43.58 61.71 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.468 -0.787 . . . . 73.23 109.92 -175.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.7 mm -60.73 -56.71 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 114.773 -1.103 . . . . 73.35 109.776 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -57.12 -46.96 82.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.77 -0.65 . . . . 74.01 111.112 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.06 -64.58 0.78 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.269 -0.423 . . . . 71.22 110.716 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.776 HG23 ' HB3' ' A' ' 71' ' ' LEU . 29.2 mt -62.24 -49.02 85.71 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 CA-C-N 116.586 -0.279 . . . . 65.11 110.82 -175.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.602 ' HA ' ' HE2' ' A' ' 116' ' ' LYS . 22.6 mm-40 -55.12 -34.24 63.54 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.298 0.481 . . . . 72.32 112.298 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -89.33 -15.3 33.74 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.858 0.361 . . . . 73.42 111.185 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.624 ' HB3' ' HA ' ' A' ' 50' ' ' ASN . 11.5 m-70 -90.73 -35.57 14.81 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.833 0.679 . . . . 73.11 112.833 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.752 ' HG3' ' O ' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -88.55 159.92 17.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.503 0.668 . . . . 75.51 111.984 -174.604 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.245 0.828 0 CA-C-N 115.001 -1.0 . . . . 63.21 110.149 -173.908 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 CA--C 1.518 -0.283 0 CA-C-O 121.063 0.459 . . . . 74.5 110.491 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.59 118.4 36.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.95 -0.568 . . . . 65.34 110.449 -175.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.4 p -138.67 119.63 14.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.059 -0.519 . . . . 54.22 109.75 175.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -173.56 171.24 44.34 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 119.785 -1.198 . . . . 73.11 112.886 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.576 HG13 ' HE3' ' A' ' 44' ' ' TRP . 0.9 OUTLIER -89.61 134.72 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.664 0.745 . . . . 74.45 111.8 -179.452 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.432 HD23 ' HE ' ' A' ' 43' ' ' ARG . 61.1 tp -110.57 107.36 16.94 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.889 -1.05 . . . . 74.52 108.739 174.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.3 m -78.85 100.95 7.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.912 -0.585 . . . . 75.52 109.739 178.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 44.3 tptt . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 116.026 -0.534 . . . . 75.24 109.79 -176.92 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 . . . . . 0 CA--C 1.512 -0.507 0 N-CA-C 109.816 -0.438 . . . . 62.14 109.816 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.43 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 13.8 p-10 -96.75 106.19 18.44 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.684 0.754 . . . . 34.2 109.51 176.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.432 ' HE ' HD23 ' A' ' 30' ' ' LEU . 38.2 ptt180 -102.51 148.92 24.94 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.414 -0.812 . . . . 71.34 109.753 -177.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.576 ' HE3' HG13 ' A' ' 29' ' ' VAL . 65.8 t-105 -93.15 110.59 22.09 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 120.09 -0.644 . . . . 73.24 110.369 -172.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.9 m -103.19 141.49 18.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 121.285 0.564 . . . . 51.15 110.421 -176.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.533 ' O ' HD12 ' A' ' 52' ' ' LEU . 10.7 t -138.65 132.54 40.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.049 -0.978 . . . . 72.11 110.978 -173.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.2 tt -123.02 124.75 43.84 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.465 -0.568 . . . . 74.23 109.465 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -168.61 142.66 3.16 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.412 0.445 . . . . 62.41 110.414 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 59.69 27.51 16.78 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.835 0.454 . . . . 74.32 112.052 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.82 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 10.5 t-20 72.01 13.57 5.9 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.753 0.787 . . . . 74.21 110.319 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.67 127.27 56.07 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.506 -0.77 . . . . 62.54 109.392 174.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.69 HD23 HD11 ' A' ' 69' ' ' ILE . 46.4 tp -106.91 132.75 52.51 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.66 -0.867 . . . . 73.45 108.66 176.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.4 m -142.64 162.91 34.25 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 116.309 -0.405 . . . . 75.53 110.067 -174.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 95' ' ' TRP . 3.1 p90 -145.41 156.2 43.62 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.447 -0.501 . . . . 74.32 110.058 175.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -126.36 169.62 12.76 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.839 -0.8 . . . . 52.22 108.839 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . 2.9 mmmp? -56.8 -49.06 76.49 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 123.16 0.287 . . . . 52.32 111.734 -178.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.552 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 22.9 t -152.77 -169.04 3.22 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.768 -0.456 . . . . 74.32 109.768 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 35.9 tt0 -59.8 -33.32 71.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.306 0.642 . . . . 63.35 112.416 -172.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -81.73 46.86 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.47 0.652 . . . . 64.1 110.519 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -37.76 -35.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 114.48 1.289 . . . . 72.35 114.48 179.37 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.0 t -56.54 -36.36 69.15 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.37 0.507 . . . . 74.21 112.37 -177.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -95.53 -9.5 32.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.336 . . . . 74.15 111.06 -178.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.552 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 30.4 m-85 -94.75 -40.18 9.9 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.189 0.44 . . . . 64.11 112.189 -174.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.4 156.59 22.48 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.355 -0.926 . . . . 63.54 111.858 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.1 p -67.03 111.71 3.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.334 0.588 . . . . 75.2 111.383 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.496 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 9.9 mmm180 -71.28 -53.45 14.23 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.158 -0.928 . . . . 73.51 110.845 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -136.41 138.61 9.99 Favored Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 114.579 -1.191 . . . . 71.14 111.417 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 m -133.35 119.53 19.83 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.254 -0.276 . . . . 74.4 110.254 -177.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.69 HD11 HD23 ' A' ' 52' ' ' LEU . 15.9 pt -121.59 143.67 33.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.073 0.464 . . . . 63.11 110.727 177.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 65.0 m -96.83 129.58 44.24 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.776 -0.647 . . . . 44.14 110.035 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.086 HD13 HG12 ' A' ' 112' ' ' ILE . 86.0 mt -80.89 24.22 0.51 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.571 -0.741 . . . . 64.13 111.393 -175.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.7 m -80.21 -33.39 38.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.044 -0.525 . . . . 41.44 111.062 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.65 12.68 3.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 73.51 110.962 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.676 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -69.76 126.61 30.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.465 . . . . 72.51 110.252 177.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.3 t -86.59 111.97 22.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.135 0.493 . . . . 63.43 110.94 -175.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.1 mt -74.02 102.64 2.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.614 -0.721 . . . . 64.43 109.562 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.52 ' HB ' ' HB2' ' A' ' 87' ' ' ASP . 12.5 m -96.01 109.57 47.45 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.192 -0.458 . . . . 74.25 111.025 -177.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.85 116.28 4.38 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.407 2.071 . . . . 64.31 111.586 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -78.15 139.39 38.99 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.671 -0.492 . . . . 65.55 109.671 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -89.35 -44.09 10.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.867 0.365 . . . . 74.3 111.069 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -73.73 -12.42 60.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.106 -0.497 . . . . 73.34 110.823 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.657 ' HB2' ' HB3' ' A' ' 85' ' ' ARG . 31.7 m-20 -129.03 107.19 9.4 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.273 -0.64 . . . . 74.03 109.273 177.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.55 -20.76 59.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.912 0.387 . . . . 65.42 111.41 -173.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 19.7 m -98.16 1.27 47.28 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.466 -0.334 . . . . 65.02 110.869 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.657 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 67.4 ttt180 -108.59 148.47 30.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.022 0.915 . . . . 71.33 113.23 -167.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -139.32 126.86 21.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.711 -1.586 . . . . 72.12 109.756 175.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.52 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 18.9 m-20 -95.53 108.15 20.37 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.868 -0.419 . . . . 73.52 109.868 177.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.64 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 34.9 mm -83.93 96.65 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.032 -0.359 . . . . 71.2 110.032 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.464 ' HA ' ' HA ' ' A' ' 94' ' ' VAL . 5.9 p -103.37 112.59 25.54 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.315 0.579 . . . . 54.22 111.803 -175.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.676 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 7.7 p -141.93 128.27 19.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.636 -0.711 . . . . 65.01 110.074 177.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.497 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 0.9 OUTLIER 60.31 33.01 20.89 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 111.587 0.217 . . . . 62.44 111.587 176.809 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.497 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 26.4 t70 76.06 -8.95 1.53 Allowed 'General case' 0 C--N 1.319 -0.751 0 O-C-N 123.896 0.748 . . . . 74.44 111.824 -177.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.0 m -85.25 101.93 12.92 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.479 -0.563 . . . . 64.11 109.479 175.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 89' ' ' SER . 4.2 p -99.69 122.74 51.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.469 0.652 . . . . 73.54 110.734 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.64 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 22.2 m95 -106.03 105.53 15.6 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.769 -0.65 . . . . 72.14 110.245 -176.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.19 89.73 4.28 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.83 -0.623 . . . . 53.33 110.11 -179.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.6 mt -100.55 149.85 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.854 0.359 . . . . 55.33 110.461 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.636 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 14.5 ttm-85 -137.27 147.47 45.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.907 -0.405 . . . . 74.43 109.907 177.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.73 161.72 30.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.136 0.493 . . . . 72.12 111.118 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.69 ' H ' ' NE2' ' A' ' 100' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.566 -0.743 . . . . 74.34 111.512 -176.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.776 0.798 . . . . 75.13 109.126 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.486 ' HA ' HG12 ' A' ' 109' ' ' ILE . 14.1 pt20 -60.5 -6.25 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.131 -0.94 . . . . 70.41 111.545 174.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -50.78 -44.33 58.74 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.031 0.443 . . . . 64.12 109.873 170.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.4 ' O ' HG13 ' A' ' 112' ' ' ILE . 14.0 m95 -70.63 -41.78 71.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.693 -0.685 . . . . 75.12 109.408 -177.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.486 HG12 ' HA ' ' A' ' 106' ' ' GLN . 25.4 mm -60.02 -54.77 30.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.619 -0.718 . . . . 74.53 110.313 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 114' ' ' GLN . 21.0 t70 -58.36 -49.07 78.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.548 -0.751 . . . . 73.32 111.019 -178.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.49 -54.44 40.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.268 0.556 . . . . 70.44 111.014 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 1.086 HG12 HD13 ' A' ' 71' ' ' LEU . 66.0 mt -66.99 -49.15 76.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.074 -0.512 . . . . 75.25 111.49 -175.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.511 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 46.5 mm-40 -62.31 -34.1 75.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.723 0.297 . . . . 74.33 111.595 -178.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 2.9 mp0 -81.64 -21.45 38.21 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.924 -0.31 . . . . 71.25 111.058 178.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.82 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 25.0 m-70 -98.08 -0.62 44.15 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.771 0.656 . . . . 71.45 112.771 177.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.96 ' HE2' ' HA ' ' A' ' 116' ' ' LYS . 7.5 mmpt? -35.49 126.84 0.63 Allowed 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.528 0.936 . . . . 74.32 113.528 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.247 0.97 0 CA-C-N 114.25 -1.341 . . . . 71.22 109.096 -178.718 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.481 1.08 0 CA-C-O 121.319 0.581 . . . . 63.3 111.095 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.914 ' HB3' ' HB2' ' A' ' 48' ' ' LYS . 1.7 pm0 -79.94 141.36 36.11 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 114.763 -1.108 . . . . 73.54 111.626 175.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.551 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 3.7 tpm_? -92.73 109.21 20.63 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.69 -1.226 . . . . 60.05 107.69 165.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.587 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 4.8 p -117.45 113.28 21.82 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.965 -0.561 . . . . 65.34 109.863 -177.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -161.92 170.66 37.65 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.091 -1.052 . . . . 63.24 112.478 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.827 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 1.3 m -95.57 133.25 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.545 0.688 . . . . 72.2 111.49 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.527 HD23 ' HE ' ' A' ' 43' ' ' ARG . 54.5 tp -112.83 115.3 28.26 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.826 -1.079 . . . . 45.13 109.706 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 16.1 m -74.65 102.71 4.68 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.903 0.382 . . . . 74.22 110.689 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.462 ' HE3' ' CZ3' ' A' ' 33' ' ' TRP . 40.4 tptt -159.53 163.29 35.32 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.005 -0.739 . . . . 71.11 109.005 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.663 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 9.2 p90 -71.89 145.46 48.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.149 0.5 . . . . 74.53 110.714 -176.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.2 p -102.62 -63.8 1.13 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.634 -0.712 . . . . 70.53 110.444 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -115.96 -56.21 2.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.025 -0.534 . . . . 71.32 110.477 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.653 ' HB2' ' HA3' ' A' ' 39' ' ' GLY . 11.5 m-85 -70.98 137.34 49.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.8 -0.636 . . . . 63.31 109.424 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.1 tt -62.18 -35.34 68.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.949 0.405 . . . . 72.13 110.949 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -101.55 11.98 38.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.055 0.455 . . . . 72.25 110.358 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.653 ' HA3' ' HB2' ' A' ' 36' ' ' TYR . . . -98.03 48.99 1.41 Allowed Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.889 -0.672 . . . . 73.13 111.614 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.663 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 16.8 p-90 -69.28 126.97 31.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.097 0.475 . . . . 74.4 110.54 178.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.401 ' O ' ' HA ' ' A' ' 31' ' ' SER . 20.1 pt20 -138.0 175.9 9.18 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.754 -0.657 . . . . 43.03 109.456 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.827 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 8.9 p-10 -89.05 108.28 19.5 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.518 0.675 . . . . 74.24 110.243 177.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.527 ' HE ' HD23 ' A' ' 30' ' ' LEU . 37.7 ptt180 -100.59 145.03 28.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.642 -0.708 . . . . 70.02 109.652 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.587 ' CZ2' ' HB2' ' A' ' 27' ' ' CYS . 73.5 t-105 -92.25 120.24 32.62 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 120.512 -0.475 . . . . 72.12 110.793 -172.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.574 HG12 ' HB2' ' A' ' 54' ' ' TYR . 20.0 m -115.33 142.58 27.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 120.942 0.401 . . . . 73.41 110.848 -178.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.508 ' O ' HD12 ' A' ' 52' ' ' LEU . 79.3 t -133.62 120.67 38.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.196 -0.911 . . . . 74.0 110.54 -178.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.768 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 3.4 tm? -111.88 102.32 10.58 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.687 -0.486 . . . . 72.34 109.687 178.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.914 ' HB2' ' HB3' ' A' ' 25' ' ' GLU . 14.8 tptm -161.55 162.05 30.07 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.404 -0.221 . . . . 72.23 110.404 -173.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.589 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 14.8 m120 71.9 -68.2 0.23 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.88 0.872 . . . . 72.31 109.192 -174.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 49' ' ' ASN . 2.8 t-20 174.35 22.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.58 -1.267 . . . . 74.43 107.58 168.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.24 152.9 49.17 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 114.862 -1.063 . . . . 75.41 109.925 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.589 ' HB2' HD23 ' A' ' 47' ' ' LEU . 63.0 tp -111.48 127.57 55.74 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.429 -0.805 . . . . 64.13 108.889 174.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.9 m -128.67 142.36 51.05 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 109.552 -0.536 . . . . 75.22 109.552 -175.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.643 ' HB3' ' HZ3' ' A' ' 95' ' ' TRP . 0.3 OUTLIER -132.96 146.65 51.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.581 0.705 . . . . 72.33 111.313 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -122.74 165.58 16.33 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.458 -1.246 . . . . 74.34 108.504 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -53.26 -46.04 69.05 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.938 0.347 . . . . 72.24 111.938 -176.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.9 p -153.7 -172.51 4.25 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.934 -0.395 . . . . 74.3 109.934 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.79 -14.43 45.06 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.567 0.542 . . . . 74.45 112.375 -172.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.568 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 6.5 t0 -75.04 -8.67 57.2 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 110.309 -0.256 . . . . 74.21 110.309 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.757 ' HG3' ' H ' ' A' ' 61' ' ' THR . 5.0 pt-20 26.12 -73.49 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 116.84 2.163 . . . . 72.1 116.84 172.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.757 ' H ' ' HG3' ' A' ' 60' ' ' GLU . 14.5 t -49.93 -41.21 45.69 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.585 0.958 . . . . 55.44 113.585 -167.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -81.74 -13.52 57.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.059 0.457 . . . . 63.51 111.054 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 59' ' ' ASP . 55.6 m-85 -87.46 -16.88 33.53 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.525 -0.546 . . . . 55.4 109.525 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.53 -84.05 1.6 Allowed Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.475 -0.784 . . . . 44.34 112.473 173.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.0 p -171.75 129.92 0.66 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.572 -0.529 . . . . 63.31 109.572 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.478 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 7.0 mmm180 -104.06 -34.55 8.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.096 0.474 . . . . 73.11 111.051 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -162.12 153.34 23.98 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.153 -0.779 . . . . 51.25 111.153 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 23.7 p -161.15 124.25 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.547 0.213 . . . . 61.12 110.564 -176.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.51 ' HB ' HG11 ' A' ' 90' ' ' VAL . 36.2 pt -121.14 156.32 24.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.37 -0.377 . . . . 72.11 111.152 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 52.3 m -97.72 121.62 39.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.76 -0.655 . . . . 61.33 110.451 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.732 HD13 ' HB3' ' A' ' 74' ' ' ALA . 4.4 mm? -84.16 56.41 3.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.094 0.473 . . . . 53.12 111.261 -176.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.9 m -109.65 -42.56 4.26 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.951 -0.568 . . . . 54.41 110.113 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.64 9.64 8.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.463 . . . . 73.4 110.741 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.732 ' HB3' HD13 ' A' ' 71' ' ' LEU . . . -73.1 109.21 6.46 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.613 -0.514 . . . . 73.45 109.613 175.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.9 t -80.4 126.52 39.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.089 -0.505 . . . . 61.24 111.065 -173.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.718 HD11 HD12 ' A' ' 112' ' ' ILE . 55.4 mt -77.75 96.63 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.058 -0.719 . . . . 64.03 109.058 174.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.7 m -96.77 115.8 65.83 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 116.11 -0.495 . . . . 61.34 111.063 -174.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.422 ' HA ' ' HD1' ' A' ' 86' ' ' PHE . 31.2 Cg_exo -60.26 126.02 19.02 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.473 2.116 . . . . 70.35 111.503 175.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -64.82 161.89 17.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.353 -0.385 . . . . 75.5 110.669 -176.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.44 -75.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.279 0.561 . . . . 74.34 111.488 -174.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -76.94 -16.4 59.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.528 -0.76 . . . . 73.25 111.772 -173.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.628 ' HB3' ' HB3' ' A' ' 85' ' ' ARG . 5.4 t70 -100.17 146.5 26.78 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.796 -0.362 . . . . 72.22 110.469 -175.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -97.06 -22.73 16.62 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.152 -0.476 . . . . 51.22 110.97 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 65.5 m -119.0 -1.01 11.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.568 -0.287 . . . . 75.11 111.556 -174.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.628 ' HB3' ' HB3' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -91.71 138.95 31.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.984 0.421 . . . . 65.2 110.501 176.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 105' ' ' ARG . 80.4 m-85 -138.02 121.63 17.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.493 -0.776 . . . . 74.24 110.4 -174.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -91.73 112.78 24.84 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.054 -0.975 . . . . 54.02 109.823 -175.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.682 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 23.4 mm -83.83 108.27 16.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.588 -0.523 . . . . 74.01 109.588 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.9 p -112.0 120.89 43.42 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 112.766 0.654 . . . . 74.13 112.766 -173.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.574 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 14.7 p -153.19 134.45 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.309 -0.86 . . . . 72.55 109.007 173.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.403 HD22 HG22 ' A' ' 90' ' ' VAL . 41.6 m-80 61.45 23.04 13.36 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.967 0.413 . . . . 63.33 111.009 -176.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.8 t70 70.09 4.41 4.82 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.075 -0.966 . . . . 71.35 111.32 -173.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.8 m -78.59 100.12 6.83 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.92 -0.77 . . . . 55.02 108.92 172.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.5 t -93.9 115.2 32.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.864 -0.607 . . . . 74.13 110.706 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.682 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 23.8 m95 -101.42 100.26 10.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.749 -0.66 . . . . 74.01 109.813 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.405 ' O ' HD21 ' A' ' 30' ' ' LEU . 67.8 m-85 -71.84 86.36 0.97 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.222 -0.445 . . . . 64.34 110.492 -179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.623 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 3.8 mm? -94.67 169.22 10.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.285 -0.635 . . . . 73.33 109.285 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.611 ' HG3' ' CA ' ' A' ' 85' ' ' ARG . 44.2 ttt-85 -156.98 149.81 23.63 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.706 -0.479 . . . . 63.3 109.706 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.447 ' HB1' ' HB2' ' A' ' 103' ' ' ASP . . . -60.42 124.1 19.32 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.832 -0.803 . . . . 51.42 108.832 171.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.556 ' H ' ' NE2' ' A' ' 100' ' ' GLN . 2.3 mp0 -49.05 -51.73 29.55 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.791 0.682 . . . . 73.21 111.597 -173.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.626 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 36.3 t70 -177.59 -54.76 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.411 0 CA-C-N 116.281 -0.418 . . . . 53.24 110.859 172.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.626 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 95.3 Cg_endo -83.99 1.75 8.62 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.044 1.83 . . . . 54.34 111.746 176.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.732 ' HB3' ' HG3' ' A' ' 107' ' ' GLN . 5.6 m-20 -92.19 174.83 7.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.237 -0.892 . . . . 61.31 111.153 -175.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -142.65 -170.38 3.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.31 -0.859 . . . . 72.4 109.215 174.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 58.0 ttp180 -65.37 -29.75 70.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.138 0.494 . . . . 74.53 110.469 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -63.84 -16.69 61.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.416 -0.811 . . . . 63.34 111.93 -173.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.732 ' HG3' ' HB3' ' A' ' 103' ' ' ASP . 9.0 mm100 -60.96 -46.27 91.37 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 108.792 -0.818 . . . . 73.54 108.792 174.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.551 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 16.8 m95 -76.0 -41.77 50.12 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 114.967 -1.015 . . . . 73.25 109.299 -175.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 105' ' ' ARG . 34.1 mm -59.14 -58.5 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 115.116 -0.947 . . . . 73.24 109.957 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.24 -45.4 91.26 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.191 -0.459 . . . . 74.01 111.027 -178.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.0 -62.26 1.87 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.82 0.343 . . . . 71.21 110.967 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.718 HD12 HD11 ' A' ' 76' ' ' ILE . 46.8 mt -61.8 -43.25 97.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 CA-C-N 116.611 -0.268 . . . . 53.13 110.751 -176.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.74 -37.24 75.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.726 0.298 . . . . 75.32 111.802 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -85.94 -11.61 52.65 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.831 0.348 . . . . 65.13 111.214 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.489 ' HB3' ' O ' ' A' ' 49' ' ' ASN . 42.4 m-70 -95.5 -35.66 11.6 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.512 0.56 . . . . 71.31 112.512 176.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 168.83 18.75 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.267 0.556 . . . . 73.32 112.334 -168.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.232 -0.895 . . . . 74.14 109.684 176.078 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 109.987 -0.375 . . . . 73.31 109.987 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.656 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 2.8 pm0 -55.82 132.77 50.29 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.734 0.778 . . . . 71.13 111.691 -179.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.674 ' HG2' ' CH2' ' A' ' 108' ' ' TRP . 5.9 tpm_? -121.69 116.51 24.68 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 114.582 -1.19 . . . . 70.23 109.621 175.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.484 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 5.1 p -117.82 114.76 23.75 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 108.89 -0.781 . . . . 74.32 108.89 175.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.72 166.16 38.86 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.217 -0.992 . . . . 62.41 112.306 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.492 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 2.5 m -90.72 131.43 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.756 0.789 . . . . 73.5 111.974 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.774 HD13 HD12 ' A' ' 97' ' ' LEU . 48.8 tp -97.81 116.59 30.34 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.619 -1.173 . . . . 75.42 109.536 176.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.507 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 9.2 p -83.46 107.02 15.67 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.919 -0.582 . . . . 65.42 109.874 176.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -133.09 140.8 47.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.162 -0.472 . . . . 73.42 110.564 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 11.5 m-90 -56.42 123.64 15.4 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.072 -0.513 . . . . 73.42 110.171 176.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.14 -79.95 0.18 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.32 -0.4 . . . . 75.52 110.67 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -129.89 -33.93 1.75 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.949 0.404 . . . . 73.33 110.525 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.476 ' HB3' ' HA3' ' A' ' 39' ' ' GLY . 35.1 t80 -81.96 151.85 27.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.894 -0.594 . . . . 75.31 110.089 -178.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.5 tp -50.15 -51.08 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 112.574 0.583 . . . . 72.11 112.574 -174.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -113.26 30.33 7.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.703 0.763 . . . . 71.13 109.239 175.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.476 ' HA3' ' HB3' ' A' ' 36' ' ' TYR . . . -82.92 67.56 3.72 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.281 -0.872 . . . . 75.03 111.898 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.496 ' HE3' ' HB2' ' A' ' 31' ' ' SER . 46.5 m95 -67.14 118.7 10.93 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.184 -0.302 . . . . 73.21 110.184 177.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.507 ' O ' ' HA ' ' A' ' 31' ' ' SER . 2.0 pt20 -101.07 166.24 10.9 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.008 -0.738 . . . . 60.33 109.008 169.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.492 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 8.0 p-10 -120.78 116.02 24.42 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.666 0.746 . . . . 72.2 109.878 177.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.58 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 4.3 ptp180 -109.51 139.61 44.3 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.897 -1.047 . . . . 63.43 109.658 -178.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.484 ' CZ2' ' HB2' ' A' ' 27' ' ' CYS . 71.7 t-105 -85.25 115.73 23.19 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.478 -0.489 . . . . 73.31 109.982 -174.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.618 HG22 ' HB2' ' A' ' 54' ' ' TYR . 96.6 t -114.64 131.5 66.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 120.959 0.409 . . . . 63.13 111.117 -173.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.554 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 49.2 t -122.45 125.86 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.271 -0.877 . . . . 74.15 110.715 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.683 HD23 HD13 ' A' ' 52' ' ' LEU . 3.2 tm? -125.42 110.81 14.38 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.374 -0.376 . . . . 71.03 110.32 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.656 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 14.5 tptm 177.26 163.06 0.51 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.919 -0.771 . . . . 72.03 108.919 -176.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.525 ' H ' ' HD2' ' A' ' 48' ' ' LYS . 14.3 m120 69.65 14.21 8.19 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.699 0.4 . . . . 71.12 110.161 -176.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.821 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 3.0 t-20 70.79 5.58 5.5 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.484 -0.78 . . . . 72.11 109.668 -173.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.09 150.55 27.65 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.26 -0.882 . . . . 32.51 110.154 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.683 HD13 HD23 ' A' ' 47' ' ' LEU . 43.5 tp -122.7 127.86 49.81 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.598 -0.728 . . . . 64.33 109.308 176.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.585 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 10.1 p -141.96 124.79 16.06 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.596 -0.729 . . . . 73.42 110.39 -173.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.618 ' HB2' HG22 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -125.65 152.34 45.33 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.287 0.565 . . . . 60.01 110.645 178.482 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -128.2 160.26 32.64 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.275 -1.009 . . . . 74.33 108.275 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.559 ' HG2' ' HG3' ' A' ' 66' ' ' ARG . 13.2 mmmm -54.63 -42.69 71.53 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.347 0.499 . . . . 70.13 112.347 -176.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.521 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 15.9 m -144.96 177.47 8.73 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.296 -0.261 . . . . 72.34 110.296 -177.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -61.86 -24.54 66.98 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.417 0.448 . . . . 61.41 111.794 -176.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.625 ' OD1' ' HG2' ' A' ' 62' ' ' GLU . 5.2 t70 -51.34 -40.15 58.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.414 -0.357 . . . . 73.41 110.814 177.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 49.76 -46.94 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.351 1.861 . . . . 71.15 115.905 -176.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.8 t -58.86 -50.52 73.7 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.386 0.884 . . . . 72.12 113.386 -170.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.625 ' HG2' ' OD1' ' A' ' 59' ' ' ASP . 15.4 pt-20 -86.23 -15.91 39.36 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.424 -0.51 . . . . 71.34 111.03 -176.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.521 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 49.1 m-85 -82.07 -35.84 28.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.24 -0.437 . . . . 73.14 110.803 -179.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.08 170.89 39.71 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.506 -0.854 . . . . 74.45 112.239 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.1 p -72.59 104.55 3.91 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.516 0.674 . . . . 71.51 111.032 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.559 ' HG3' ' HG2' ' A' ' 56' ' ' LYS . 10.4 mmt180 -85.4 -21.88 28.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.27 -0.877 . . . . 61.32 110.184 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.585 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -149.29 112.91 0.58 Allowed Glycine 0 N--CA 1.439 -1.11 0 N-CA-C 110.597 -1.001 . . . . 72.45 110.597 175.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.8 p -129.22 110.62 12.13 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.185 0.517 . . . . 71.52 110.342 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.645 HD11 HD23 ' A' ' 52' ' ' LEU . 45.8 pt -129.15 176.61 7.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.713 -0.676 . . . . 63.43 110.62 -178.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.482 ' SG ' ' HD3' ' A' ' 73' ' ' LYS . 12.0 p -122.82 138.99 54.49 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.045 -0.525 . . . . 71.31 110.879 -178.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.708 ' HB3' HG23 ' A' ' 112' ' ' ILE . 4.0 mm? -90.79 14.76 12.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.859 -0.609 . . . . 73.44 110.098 177.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.9 t -66.13 -49.11 68.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.249 -0.887 . . . . 62.2 110.96 178.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.543 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -125.49 19.72 8.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.677 -0.692 . . . . 73.11 109.892 -176.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.63 150.39 43.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.305 -0.861 . . . . 42.31 111.608 -176.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.455 ' HB ' ' OG ' ' A' ' 89' ' ' SER . 47.4 t -104.83 109.6 28.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.948 -0.569 . . . . 74.4 110.105 176.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.5 HD11 HD13 ' A' ' 112' ' ' ILE . 60.0 mt -83.33 120.68 35.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.971 -0.559 . . . . 72.33 110.494 179.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.934 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 24.1 m -110.37 101.87 49.68 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 116.087 -0.506 . . . . 75.33 111.074 178.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 77' ' ' THR . 30.0 Cg_endo -64.6 130.6 26.94 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.017 1.812 . . . . 70.33 111.151 175.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -68.97 150.68 47.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.188 0.518 . . . . 73.22 110.373 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.34 -58.15 3.4 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.416 -0.811 . . . . 74.23 111.49 -175.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -77.42 -9.13 58.69 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.492 0.553 . . . . 73.02 112.492 -176.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -128.74 142.04 51.13 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.432 -0.507 . . . . 73.42 111.142 -175.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -103.86 7.67 36.93 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.701 -0.682 . . . . 74.34 110.709 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 104' ' ' HIS . 73.8 m -120.83 -26.49 5.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.454 -0.339 . . . . 51.45 111.313 177.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.546 ' CA ' ' HG3' ' A' ' 98' ' ' ARG . 63.6 ttt-85 -80.16 147.58 31.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.06 0.457 . . . . 71.01 111.525 -178.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -149.92 139.91 21.98 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.591 -0.731 . . . . 74.44 110.426 177.789 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.934 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 7.3 t70 -99.18 135.25 40.85 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.908 -1.042 . . . . 73.43 109.405 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.836 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 3.8 mp -114.85 96.64 4.79 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-N 116.209 -0.451 . . . . 71.21 109.882 -176.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.455 ' OG ' ' HB ' ' A' ' 75' ' ' VAL . 63.3 p -101.76 102.95 13.66 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 120.381 -0.527 . . . . 74.2 110.703 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.9 m -101.33 -172.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.889 -0.596 . . . . 72.53 109.782 176.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -36.5 -61.43 0.52 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 124.248 0.968 . . . . 74.53 112.814 -175.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -129.18 10.61 5.84 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.065 0.395 . . . . 74.22 112.065 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 t -136.54 129.42 30.9 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.567 -0.453 . . . . 75.33 111.222 -173.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 87.9 t -109.4 127.74 65.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.118 -0.492 . . . . 61.53 110.134 174.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.836 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 12.9 m95 -112.94 147.53 36.9 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.89 -0.595 . . . . 75.45 110.148 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -124.63 92.72 3.71 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.122 -0.695 . . . . 71.23 109.122 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.774 HD12 HD13 ' A' ' 30' ' ' LEU . 36.4 tp -119.57 171.43 8.37 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.811 -0.355 . . . . 61.14 110.259 -173.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.546 ' HG3' ' CA ' ' A' ' 85' ' ' ARG . 20.6 ttt180 -153.75 151.48 29.65 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.46 -0.571 . . . . 71.44 109.46 -177.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.7 144.68 47.6 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.998 -0.371 . . . . 72.05 109.998 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.616 ' H ' ' NE2' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -127.9 0.14 5.98 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.729 -0.668 . . . . 70.34 110.304 -179.518 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -85.52 165.95 32.9 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.403 -0.817 . . . . 75.0 109.558 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -69.17 54.3 0.94 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.953 2.435 . . . . 72.45 111.694 173.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.435 ' OD2' ' HG2' ' A' ' 106' ' ' GLN . 27.7 t70 -149.14 168.64 22.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.599 -0.728 . . . . 54.24 109.175 -175.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.435 ' O ' ' HA ' ' A' ' 84' ' ' CYS . 87.4 m-70 -70.83 -73.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.78 -0.452 . . . . 71.31 109.78 174.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.527 ' HB2' ' CD1' ' A' ' 108' ' ' TRP . 0.0 OUTLIER -170.3 20.27 0.02 OUTLIER 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.723 0.297 . . . . 72.52 111.463 177.361 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.435 ' HG2' ' OD2' ' A' ' 103' ' ' ASP . 9.2 pt20 -66.66 -10.98 51.76 Favored 'General case' 0 N--CA 1.46 0.071 0 CA-C-N 116.595 -0.275 . . . . 75.41 110.511 -176.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -51.51 -50.11 60.6 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.283 -0.636 . . . . 72.23 109.283 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.674 ' CH2' ' HG2' ' A' ' 26' ' ' ARG . 7.9 m95 -73.16 -44.53 59.85 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.17 -0.923 . . . . 74.55 109.256 -176.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 39.0 mm -54.45 -59.83 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.191 -0.913 . . . . 72.3 110.054 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -54.9 -53.55 54.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.526 . . . . 74.34 111.079 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.75 -60.72 2.98 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.308 0.575 . . . . 64.41 111.137 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.708 HG23 ' HB3' ' A' ' 71' ' ' LEU . 31.7 mt -63.49 -53.16 48.75 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-N 116.239 -0.437 . . . . 63.43 111.118 -174.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -52.76 -44.01 66.19 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.749 0.277 . . . . 75.21 111.749 -177.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -74.85 -30.06 61.24 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.805 0.298 . . . . 71.42 111.805 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.821 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 89.6 m-70 -96.82 -20.54 18.11 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 114.139 1.163 . . . . 70.11 114.139 -173.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.475 ' HB3' HD21 ' A' ' 50' ' ' ASN . 1.2 pptt? -82.23 170.8 15.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 118.328 0.513 . . . . 73.13 111.822 -175.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.253 1.265 0 CA-C-N 115.534 -0.757 . . . . 73.01 109.77 176.557 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.0 m . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 121.094 0.473 . . . . 75.45 111.034 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.726 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 1.6 pm0 -64.18 132.19 49.65 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 114.751 -1.113 . . . . 51.2 111.656 175.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.684 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 2.2 tpm_? -106.93 111.07 23.4 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 114.831 -1.077 . . . . 72.34 108.232 170.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.601 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 3.1 p -123.33 107.59 11.81 Favored 'General case' 0 C--N 1.308 -1.209 0 O-C-N 123.498 0.499 . . . . 74.12 110.275 -177.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.18 171.18 35.66 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.456 -0.878 . . . . 12.42 112.479 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.516 HG13 ' HE3' ' A' ' 44' ' ' TRP . 0.8 OUTLIER -88.91 133.2 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.671 0.748 . . . . 71.23 111.514 -179.851 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.632 HD22 HD23 ' A' ' 97' ' ' LEU . 53.1 tp -115.84 122.25 44.84 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.673 -1.149 . . . . 62.01 109.772 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 p -76.87 99.71 5.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.985 -0.552 . . . . 55.13 109.998 176.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.565 ' HD3' ' O ' ' A' ' 33' ' ' TRP . 7.6 tmtm? -141.1 149.69 41.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.29 -0.414 . . . . 74.12 110.875 -177.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.565 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 1.5 t90 -50.05 136.75 18.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.881 -1.054 . . . . 75.32 111.795 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.614 ' HB ' ' HG2' ' A' ' 41' ' ' GLN . 4.9 t -137.22 -6.42 1.81 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.186 0.517 . . . . 73.35 110.398 177.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.485 ' HB3' ' HB2' ' A' ' 38' ' ' HIS . 24.6 t-20 -169.94 155.37 5.62 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.485 -0.931 . . . . 74.31 108.485 -175.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -82.71 -54.22 5.31 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.922 0.391 . . . . 63.43 110.627 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 53.3 mt -65.7 -28.09 43.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.684 . . . . 63.0 110.502 -177.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.485 ' HB2' ' HB3' ' A' ' 35' ' ' ASN . 0.3 OUTLIER -94.1 -42.67 8.87 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.691 -0.686 . . . . 73.25 111.281 -179.795 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.66 -110.24 3.79 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.55 -0.833 . . . . 44.41 112.473 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 35.4 p90 -105.98 169.9 8.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.046 0.451 . . . . 71.35 111.476 -173.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.614 ' HG2' ' HB ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -148.73 162.96 38.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.342 -0.845 . . . . 63.44 108.939 168.468 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -94.86 98.58 10.83 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.446 -0.575 . . . . 73.24 109.446 177.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.506 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 10.4 ptp180 -97.43 150.28 21.21 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.857 -0.61 . . . . 64.44 110.01 -176.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.516 ' HE3' HG13 ' A' ' 29' ' ' VAL . 68.2 t-105 -97.18 110.94 23.39 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.304 -0.559 . . . . 63.1 110.291 -174.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.601 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 18.4 m -109.02 145.21 16.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 C-N-CA 120.8 -0.36 . . . . 44.22 110.804 -174.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.684 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 57.0 t -133.27 122.81 45.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.464 -0.789 . . . . 70.33 111.071 -177.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.726 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 5.3 tt -113.01 105.45 13.5 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.904 -0.406 . . . . 73.33 109.904 177.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.583 ' HB2' ' HB3' ' A' ' 25' ' ' GLU . 15.3 tptt -164.54 151.5 11.28 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.515 -0.55 . . . . 72.53 109.515 -178.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.492 ' OD1' ' HG3' ' A' ' 48' ' ' LYS . 16.4 m120 64.34 19.63 11.86 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 122.81 0.444 . . . . 41.52 110.447 -173.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.66 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 16.3 t-20 64.81 18.0 11.25 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.364 -0.835 . . . . 73.25 109.848 -175.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.92 126.1 53.45 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.159 -0.928 . . . . 74.45 109.344 175.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.654 ' HB2' HD21 ' A' ' 71' ' ' LEU . 53.7 tp -101.66 125.78 48.38 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.95 -0.759 . . . . 74.24 108.95 176.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.9 m -131.19 167.44 19.16 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 115.503 -0.771 . . . . 73.3 109.099 -175.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.43 ' HA ' ' O ' ' A' ' 44' ' ' TRP . 2.4 p90 -148.82 154.41 39.48 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.048 -0.661 . . . . 71.34 111.2 177.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.468 ' CD1' ' HD1' ' A' ' 44' ' ' TRP . 9.5 m-85 -124.66 163.62 21.63 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.832 -1.077 . . . . 75.33 108.319 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.457 ' HD2' ' HA ' ' A' ' 56' ' ' LYS . 25.7 mmmt -60.65 -28.77 68.83 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.111 0.412 . . . . 33.13 112.111 -178.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.446 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 22.0 t -168.93 -170.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.452 -0.573 . . . . 71.23 109.452 178.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -67.57 -20.07 65.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.064 -0.516 . . . . 73.54 111.013 -174.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 7.6 t0 -81.73 49.71 1.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.803 0.811 . . . . 74.51 109.488 176.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -49.18 -23.83 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.834 -1.076 . . . . 71.33 112.061 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -41.54 70.64 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.419 0.525 . . . . 62.23 112.419 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -106.58 -24.81 12.06 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.576 -0.45 . . . . 61.52 111.627 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 32.0 m-85 -75.09 -38.74 61.14 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.84 -0.344 . . . . 75.31 111.636 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.47 162.94 7.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.852 -0.69 . . . . 63.43 112.526 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.8 t -62.82 124.23 20.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.183 0.516 . . . . 75.02 110.323 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.474 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 4.3 mmm180 -98.82 -20.52 16.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.768 -0.651 . . . . 62.15 111.404 -175.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -175.4 152.46 13.43 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 110.901 -0.88 . . . . 63.33 110.901 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 17.1 p -151.53 153.22 34.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.925 0.363 . . . . 74.21 111.389 -176.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 22.3 pt -142.05 161.21 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.768 -0.651 . . . . 73.23 110.38 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 55.6 m -98.31 139.43 34.09 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.862 -0.421 . . . . 74.32 109.862 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.654 HD21 ' HB2' ' A' ' 52' ' ' LEU . 4.2 mm? -87.87 -0.32 56.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.724 0.638 . . . . 64.44 112.724 -172.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.9 t -68.54 -59.05 3.42 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.972 -0.291 . . . . 44.12 110.762 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -93.4 19.85 7.84 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.99 0.367 . . . . 72.12 111.99 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.64 123.13 32.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.729 0.299 . . . . 73.21 110.284 177.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.9 t -83.06 117.42 28.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.431 -0.35 . . . . 71.33 110.89 -177.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.439 HD11 HD13 ' A' ' 112' ' ' ILE . 61.6 mt -83.75 110.26 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.801 -0.636 . . . . 65.31 110.151 177.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.8 m -118.4 118.82 33.6 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 116.299 -0.41 . . . . 73.1 110.373 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -57.31 128.8 31.03 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.069 1.846 . . . . 63.41 111.414 176.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -70.87 145.94 49.93 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.272 -0.64 . . . . 54.21 109.272 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -75.36 -57.27 3.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.08 0.467 . . . . 74.24 110.985 -174.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -68.31 -22.2 64.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.526 -0.761 . . . . 63.2 111.525 -176.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.872 ' HB2' ' HB3' ' A' ' 85' ' ' ARG . 32.1 m-20 -128.55 117.35 21.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.465 -0.334 . . . . 53.53 110.57 -176.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -75.41 -24.66 57.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.074 0.464 . . . . 71.52 111.134 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 80.8 m -96.67 3.22 52.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.346 -0.388 . . . . 54.12 111.005 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.872 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 2.1 ttp180 -104.37 137.28 42.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.327 -0.397 . . . . 73.32 110.298 178.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.518 ' CE1' ' HG3' ' A' ' 105' ' ' ARG . 23.3 m-85 -122.85 128.09 49.91 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.513 0.673 . . . . 74.55 111.429 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -90.4 115.56 27.67 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.556 -1.202 . . . . 54.1 109.664 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.765 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 39.9 mm -100.22 95.61 4.24 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.216 0 CA-C-N 115.367 -0.833 . . . . 74.12 109.687 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 80.6 p -103.29 107.96 18.99 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 120.109 -0.636 . . . . 72.25 111.139 -177.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.743 HG22 ' H ' ' A' ' 91' ' ' ASN . 6.3 p -116.04 -173.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 107.741 -1.207 . . . . 71.32 107.741 172.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.743 ' H ' HG22 ' A' ' 90' ' ' VAL . 7.3 m-20 -50.25 105.06 0.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 122.51 0.324 . . . . 70.31 111.249 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.5 t70 72.2 -20.08 0.26 Allowed 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.11 0.781 . . . . 62.34 113.11 173.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.591 ' HB3' ' HE1' ' A' ' 95' ' ' TRP . 33.6 m -107.99 114.05 27.69 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.741 -0.6 . . . . 62.15 111.134 -175.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.9 t -110.22 117.98 55.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.039 -0.528 . . . . 74.22 109.679 176.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.765 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 28.8 m95 -111.09 109.01 18.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.819 0.342 . . . . 64.0 110.898 -174.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.532 ' HB3' ' HD2' ' A' ' 85' ' ' ARG . 80.0 m-85 -85.3 78.8 9.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.248 -0.433 . . . . 63.51 110.575 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.632 HD23 HD22 ' A' ' 30' ' ' LEU . 88.4 mt -81.69 161.04 23.54 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.877 -0.416 . . . . 61.24 109.877 -177.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.513 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 5.2 ttm-85 -137.72 151.55 48.32 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.406 -0.59 . . . . 74.43 109.406 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.57 -174.53 0.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.487 0.492 . . . . 72.14 110.808 176.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.438 HE21 ' HG3' ' A' ' 107' ' ' GLN . 69.1 mm-40 -53.66 -56.65 15.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 72.3 110.156 -178.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.793 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 27.7 t70 176.02 -57.05 0.0 OUTLIER Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 115.182 -0.917 . . . . 61.03 110.137 172.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.793 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 4.6 Cg_exo -78.9 -47.97 0.09 OUTLIER 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.292 1.994 . . . . 73.13 112.171 178.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 104' ' ' HIS . 5.4 p-10 -157.28 -149.39 0.24 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.972 -0.558 . . . . 64.3 110.076 -177.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.434 ' HB2' ' O ' ' A' ' 103' ' ' ASP . 9.4 m80 71.58 62.2 0.15 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.938 0.875 . . . . 65.22 110.763 -176.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.518 ' HG3' ' CE1' ' A' ' 86' ' ' PHE . 31.6 ttm180 -81.29 -34.86 31.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.344 -1.298 . . . . 70.22 109.454 175.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -61.0 -9.58 4.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.346 -1.297 . . . . 72.42 112.052 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.438 ' HG3' HE21 ' A' ' 100' ' ' GLN . 12.2 mm100 -54.42 -45.28 72.94 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.947 -0.39 . . . . 70.2 109.947 174.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.499 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 13.1 m95 -74.85 -40.21 61.13 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 115.741 -0.663 . . . . 75.2 109.695 -175.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.3 mm -60.71 -56.8 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 115.306 -0.861 . . . . 54.45 109.495 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -56.49 -49.11 75.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.76 -0.654 . . . . 73.14 110.913 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.549 ' HB1' HD22 ' A' ' 47' ' ' LEU . . . -55.9 -58.8 6.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 52.44 111.298 -179.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.527 HG23 ' HB3' ' A' ' 71' ' ' LEU . 43.6 mt -67.44 -51.15 55.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.604 -0.271 . . . . 73.32 111.24 -174.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 116' ' ' LYS . 65.2 mm-40 -51.96 -45.41 64.38 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 111.722 0.267 . . . . 63.54 111.722 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -77.84 -28.51 50.15 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.973 0.36 . . . . 71.54 111.973 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.66 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 7.2 m-70 -86.64 -24.0 25.47 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.603 0.594 . . . . 73.32 112.603 -177.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 113' ' ' GLU . 0.9 OUTLIER -71.2 171.0 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.159 0.504 . . . . 72.41 111.815 -173.003 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 32.8 p . . . . . 0 C--O 1.249 1.034 0 CA-C-N 115.646 -0.706 . . . . 65.04 110.502 -178.727 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 109.809 -0.441 . . . . 74.44 109.809 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.633 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 6.3 pm0 -49.07 132.98 18.97 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 121.891 0.853 . . . . 71.3 111.564 175.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.551 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -123.32 110.5 15.26 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 114.938 -1.028 . . . . 64.14 109.028 175.197 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.511 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 6.2 p -120.79 108.08 13.51 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.086 -0.506 . . . . 25.04 110.03 -177.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.82 169.84 38.91 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.783 -0.722 . . . . 54.41 111.807 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.847 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 2.4 m -90.57 132.26 35.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.674 0.749 . . . . 72.23 111.941 -178.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.3 tp -107.43 120.4 42.07 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.655 -1.157 . . . . 63.24 109.204 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -78.9 100.15 7.09 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.873 -0.603 . . . . 62.32 110.944 -177.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.472 ' HE3' ' CZ3' ' A' ' 33' ' ' TRP . 31.5 tptt -159.99 170.28 21.65 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.059 -0.256 . . . . 72.13 110.318 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.581 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 15.3 p90 -74.67 148.08 40.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.911 0.386 . . . . 73.22 110.926 -179.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.7 p -115.67 -6.58 12.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.239 -0.437 . . . . 71.22 111.792 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -152.46 -80.14 0.1 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.6 -0.273 . . . . 74.43 111.16 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.441 ' O ' ' HB2' ' A' ' 33' ' ' TRP . 24.0 m-85 -77.08 155.53 32.38 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 122.293 -0.255 . . . . 74.25 110.531 175.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.2 pt -61.67 -22.77 29.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 112.038 0.384 . . . . 73.14 112.038 -176.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -117.01 24.56 11.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.872 0.367 . . . . 73.13 111.113 176.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -101.05 66.6 0.49 Allowed Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.634 -0.986 . . . . 74.41 110.634 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.581 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 3.9 m0 -85.03 141.07 30.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.17 0.51 . . . . 75.33 111.317 -172.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -152.64 164.99 36.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.455 -0.793 . . . . 74.01 109.307 172.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.847 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 6.1 m-20 -91.32 102.98 15.68 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.309 -0.626 . . . . 64.54 109.309 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.448 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 38.1 ptt180 -95.32 146.83 24.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.689 -0.687 . . . . 71.14 110.247 -176.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.559 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 70.1 t-105 -89.89 112.92 24.43 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.724 -0.39 . . . . 75.24 110.809 -171.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 17.2 m -110.36 143.12 20.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.997 0.427 . . . . 73.43 111.029 -176.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.551 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 73.8 t -132.87 114.09 21.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.192 -0.913 . . . . 63.23 110.406 -178.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.581 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 4.2 tt -112.97 111.63 22.51 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.023 -0.362 . . . . 75.31 110.023 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.633 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 5.6 tptt -172.97 154.99 2.97 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.358 -0.608 . . . . 74.22 109.358 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 58.9 24.76 12.86 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.845 0.458 . . . . 70.24 111.584 -175.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.755 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 4.5 t-20 71.66 10.22 6.37 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.292 -0.867 . . . . 72.11 110.798 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -115.19 139.09 50.23 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.565 -0.743 . . . . 51.15 109.859 176.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.575 HD23 HD11 ' A' ' 69' ' ' ILE . 60.8 tp -119.01 129.45 55.14 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.228 -0.656 . . . . 74.24 109.228 175.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.8 m -140.15 148.62 41.91 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 116.254 -0.43 . . . . 72.32 109.926 -176.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.559 ' HA ' ' O ' ' A' ' 44' ' ' TRP . 2.1 p90 -130.98 154.15 48.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.5 0.667 . . . . 74.33 110.96 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.523 ' HD2' ' HD1' ' A' ' 44' ' ' TRP . 21.7 m-85 -127.35 171.21 11.71 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.853 -1.067 . . . . 73.2 108.526 -177.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -58.74 -73.61 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.786 0.662 . . . . 73.23 112.786 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 44' ' ' TRP . 6.1 p -105.82 -85.58 0.49 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.721 0.296 . . . . 52.11 111.561 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -153.95 -28.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.066 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.529 ' HB3' ' HE2' ' A' ' 63' ' ' TYR . 4.6 t70 -38.14 -48.08 1.21 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.048 -0.978 . . . . 63.34 112.157 175.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 39.02 22.15 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.961 1.467 . . . . 64.24 114.961 -177.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.3 t -108.63 -31.91 7.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 119.125 0.875 . . . . 73.15 111.118 -176.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -109.3 -9.65 14.97 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.557 -0.457 . . . . 64.15 111.344 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.529 ' HE2' ' HB3' ' A' ' 59' ' ' ASP . 47.4 m-85 -85.52 -11.34 54.4 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.469 -0.332 . . . . 72.32 111.234 -177.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.44 ' O ' ' HE1' ' A' ' 55' ' ' TYR . . . 70.47 -82.18 0.38 Allowed Glycine 0 C--O 1.227 -0.289 0 CA-C-N 116.131 -0.486 . . . . 44.12 112.446 178.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.4 p -175.34 113.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.176 0.591 . . . . 55.02 109.481 177.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.469 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 3.0 mmm180 -81.44 -27.1 34.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.226 0.536 . . . . 73.44 110.735 -175.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.414 ' HA3' ' CD1' ' A' ' 54' ' ' TYR . . . -143.77 154.96 25.92 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 110.598 -1.001 . . . . 70.11 110.598 176.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.9 p -164.63 110.39 0.98 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.078 0.466 . . . . 75.52 110.793 -176.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.575 HD11 HD23 ' A' ' 52' ' ' LEU . 43.3 pt -124.56 160.04 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.037 -0.528 . . . . 73.41 110.424 178.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 80.2 m -115.0 131.97 56.75 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.935 -0.575 . . . . 74.31 110.264 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.669 ' HG ' HG12 ' A' ' 112' ' ' ILE . 4.3 mm? -75.3 8.53 2.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 73.35 111.712 -176.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.5 m -66.49 -38.16 86.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 71.11 110.91 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.47 ' HE2' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -132.15 16.64 4.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.22 0.533 . . . . 61.1 110.847 178.743 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.755 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -84.22 107.95 16.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.896 -0.593 . . . . 43.03 109.824 177.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 50.2 t -71.45 125.34 29.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.888 -0.596 . . . . 74.42 110.707 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.49 HD11 HD13 ' A' ' 112' ' ' ILE . 44.3 mt -86.18 100.76 9.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.774 -0.648 . . . . 73.55 109.887 176.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.5 m -92.53 113.16 58.62 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 110.156 -0.313 . . . . 74.53 110.156 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.491 ' HA ' ' CD1' ' A' ' 86' ' ' PHE . 21.3 Cg_exo -64.82 130.99 27.64 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.435 2.09 . . . . 71.22 111.44 179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -70.98 151.08 45.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.418 -0.586 . . . . 75.14 109.418 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -77.81 -63.36 1.4 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.842 0.353 . . . . 55.11 111.567 -174.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -72.13 -35.77 69.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.077 -0.51 . . . . 73.35 111.489 -178.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.49 131.67 35.41 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.984 -0.553 . . . . 74.33 111.622 -173.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -84.19 -37.0 22.41 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.319 -0.855 . . . . 75.34 110.016 176.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 56.9 m -96.37 18.41 13.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.4 -0.818 . . . . 74.34 111.732 -174.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.73 ' HB2' ' HG3' ' A' ' 98' ' ' ARG . 32.1 ttt180 -121.41 146.56 46.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.505 0.669 . . . . 64.3 111.921 -178.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.603 ' CE2' ' HB2' ' A' ' 105' ' ' ARG . 8.9 m-85 -141.57 125.78 17.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.59 -1.186 . . . . 75.54 110.131 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.424 ' OD2' ' HD1' ' A' ' 96' ' ' TYR . 8.4 m-20 -96.28 103.82 15.75 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.928 -0.578 . . . . 75.21 109.615 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.553 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 26.0 mm -78.17 141.99 14.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.904 -0.589 . . . . 72.35 109.539 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.8 p -143.55 112.53 6.66 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.969 -0.692 . . . . 72.21 112.055 177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.755 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 7.3 p -145.88 130.75 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 72.11 110.224 177.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.444 HD22 HG22 ' A' ' 90' ' ' VAL . 51.7 m-80 58.21 26.91 14.39 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.942 0.401 . . . . 65.42 111.164 -176.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 91' ' ' ASN . 86.4 m-20 72.45 1.37 3.94 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.191 -0.913 . . . . 74.14 112.386 -175.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 31.6 m -79.03 99.95 7.11 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.667 -0.864 . . . . 71.0 108.667 171.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 48.0 t -97.37 118.71 44.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.87 -0.604 . . . . 62.22 110.416 -177.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.553 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 17.6 m95 -108.52 101.48 10.64 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.868 -0.605 . . . . 73.41 109.799 -177.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.424 ' HD1' ' OD2' ' A' ' 87' ' ' ASP . 6.6 m-85 -73.32 84.15 1.42 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.418 -0.586 . . . . 74.54 109.418 177.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.57 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 24.5 tp -100.59 142.71 31.68 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.228 -0.286 . . . . 62.54 110.228 -169.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.73 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 18.2 ttp180 -143.0 154.44 44.01 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.024 -0.362 . . . . 72.32 110.024 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' ' 103' ' ' ASP . . . -57.86 136.97 57.08 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.133 -0.321 . . . . 64.41 110.133 174.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.563 ' H ' ' NE2' ' A' ' 100' ' ' GLN . 2.0 mp0 -64.31 -71.34 0.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.103 -0.499 . . . . 54.4 111.407 -175.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.736 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 19.0 t70 -148.3 -63.6 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.451 0 N-CA-C 111.894 0.331 . . . . 63.01 111.894 -177.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 89.5 Cg_endo -89.55 8.25 3.8 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.101 1.867 . . . . 72.11 111.778 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.521 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . 6.0 m-20 -96.05 161.27 14.05 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.229 -0.896 . . . . 74.34 111.346 -173.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.541 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 28.5 m170 -119.8 175.97 5.63 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.319 -0.993 . . . . 65.31 108.319 168.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.603 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 3.6 ppt_? -68.27 -12.77 61.56 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.338 -0.545 . . . . 75.54 111.225 -178.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.436 ' HG2' ' HB2' ' A' ' 104' ' ' HIS . 7.5 pt20 -55.87 -25.62 43.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.461 -0.79 . . . . 74.32 111.607 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 8.9 mm100 -57.95 -40.83 81.5 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.039 0.447 . . . . 73.24 110.041 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.599 ' HD1' ' HD2' ' A' ' 86' ' ' PHE . 9.1 m95 -76.1 -42.72 46.27 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 109.114 -0.699 . . . . 73.25 109.114 -176.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 33.2 mm -59.35 -53.68 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 115.091 -0.959 . . . . 64.43 109.987 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 114' ' ' GLN . 6.1 t70 -56.9 -47.4 80.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.692 -0.685 . . . . 73.33 110.645 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.76 -61.7 2.19 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.553 0.692 . . . . 44.0 110.962 178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.669 HG12 ' HG ' ' A' ' 71' ' ' LEU . 30.4 mt -67.39 -47.21 81.68 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 115.917 -0.583 . . . . 74.23 111.779 -172.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.752 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 72.6 mm-40 -56.13 -44.61 79.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 54.12 111.16 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.459 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 2.6 mp0 -76.46 -16.24 59.71 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.474 -0.491 . . . . 75.13 111.657 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.755 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 94.4 m-70 -111.89 6.85 19.78 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 114.145 1.165 . . . . 73.32 114.145 178.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.752 ' HE2' ' O ' ' A' ' 113' ' ' GLU . 28.3 mtmt -49.97 166.99 0.06 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 122.196 0.998 . . . . 73.12 112.898 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.312 -1.044 0 CA-C-N 114.363 -1.289 . . . . 53.14 110.848 -166.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.106 -0.331 . . . . 73.14 110.106 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -72.34 -70.59 0.33 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.223 0.535 . . . . 65.53 110.372 -174.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.549 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 4.4 tpm_? -128.56 120.79 27.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.744 -0.662 . . . . 75.33 109.979 178.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.0 p -139.04 109.51 6.55 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.761 -0.654 . . . . 63.31 109.307 172.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.28 175.84 41.67 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.384 -0.912 . . . . 75.22 112.2 -177.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.448 HG13 ' HE3' ' A' ' 44' ' ' TRP . 1.9 m -92.76 132.57 36.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.493 0.663 . . . . 70.24 111.742 -178.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.527 HD13 ' N ' ' A' ' 31' ' ' SER . 1.9 tm? -105.83 130.74 53.74 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.058 -0.974 . . . . 73.41 108.76 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.527 ' N ' HD13 ' A' ' 30' ' ' LEU . 1.1 p -95.64 88.95 5.17 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.862 -0.608 . . . . 61.11 110.951 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HE3' ' CE2' ' A' ' 96' ' ' TYR . 27.4 tptp -113.37 131.8 55.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.233 -0.44 . . . . 75.05 110.884 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.555 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 2.9 m-90 -63.47 146.08 54.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.699 -0.682 . . . . 61.12 110.246 177.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.9 t -169.75 -28.24 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.268 -0.424 . . . . 53.52 110.612 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.651 ' HB2' ' HB2' ' A' ' 38' ' ' HIS . 14.9 m120 -111.08 120.84 43.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.38 -0.6 . . . . 60.04 109.38 176.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -57.17 -51.17 70.4 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 111.88 0.326 . . . . 63.24 111.88 -177.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.597 HG13 ' HD2' ' A' ' 38' ' ' HIS . 29.7 pt -76.14 3.65 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.991 0.424 . . . . 74.41 111.744 -175.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.651 ' HB2' ' HB2' ' A' ' 35' ' ' ASN . 23.6 m170 -116.03 -46.65 2.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.426 0.632 . . . . 74.44 110.273 178.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.476 ' O ' ' HA ' ' A' ' 33' ' ' TRP . . . 98.3 -116.31 5.52 Favored Glycine 0 N--CA 1.438 -1.214 0 N-CA-C 110.22 -1.152 . . . . 63.52 110.22 -170.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.608 ' HZ3' ' HB3' ' A' ' 42' ' ' ASP . 67.2 p-90 -83.27 143.77 30.19 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.91 0.386 . . . . 70.22 110.517 177.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -112.87 149.97 32.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.889 -0.596 . . . . 72.43 109.689 170.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.608 ' HB3' ' HZ3' ' A' ' 40' ' ' TRP . 12.1 p-10 -103.9 112.57 25.6 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.68 0.752 . . . . 71.31 110.334 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -116.0 148.9 39.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.187 -0.915 . . . . 62.41 109.618 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.448 ' HE3' HG13 ' A' ' 29' ' ' VAL . 67.7 t-105 -90.78 111.66 23.13 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.942 -0.392 . . . . 75.11 109.942 -175.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 p -110.25 142.71 21.94 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-O 121.213 0.53 . . . . 72.44 110.714 -175.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 37.8 t -136.22 130.93 48.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.25 -0.886 . . . . 74.32 110.92 -175.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.9 tt -115.11 125.41 53.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.859 -0.793 . . . . 75.23 108.859 175.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -164.51 163.59 22.0 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 110.509 -0.182 . . . . 75.22 110.509 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.537 ' O ' ' HB3' ' A' ' 115' ' ' HIS . 13.5 m120 64.5 -90.81 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.011 0.524 . . . . 72.43 110.061 -178.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.513 ' O ' ' HB2' ' A' ' 71' ' ' LEU . 2.8 t-20 -162.01 36.46 0.12 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 106.246 -1.761 . . . . 74.23 106.246 164.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -134.82 158.27 44.64 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 113.826 -1.534 . . . . 63.5 110.187 -176.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 46' ' ' VAL . 31.5 tp -121.74 130.45 53.44 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.563 -0.744 . . . . 74.23 109.157 177.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 20.9 m -129.4 157.95 40.52 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.901 -0.591 . . . . 65.33 109.46 -176.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.609 ' HB3' ' HZ3' ' A' ' 95' ' ' TRP . 1.2 p90 -146.73 155.78 42.66 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.183 -0.607 . . . . 72.34 110.382 176.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.41 ' HD2' ' O ' ' A' ' 64' ' ' GLY . 10.3 m-85 -130.63 163.74 26.5 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.264 -1.013 . . . . 63.42 108.264 -177.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -55.19 -47.68 74.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.842 0.354 . . . . 71.22 111.193 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.4 m -156.55 -167.27 2.35 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.651 -0.499 . . . . 54.44 109.651 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.404 ' C ' ' H ' ' A' ' 60' ' ' GLU . 35.1 tt0 -63.86 -21.38 66.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.812 0.339 . . . . 70.23 110.665 -176.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.491 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 5.5 m-20 -74.14 42.1 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.079 0.466 . . . . 72.03 110.672 176.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.424 ' H ' ' HG3' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -60.83 -21.58 63.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.904 -0.589 . . . . 73.42 111.055 -178.811 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.73 -34.54 62.62 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.745 -1.116 . . . . 72.31 111.783 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -114.62 -24.36 8.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.361 -0.381 . . . . 72.34 111.195 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' ' 59' ' ' ASP . 8.3 m-85 -69.23 -39.73 78.35 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 121.023 -0.271 . . . . 72.21 111.418 -178.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.41 ' O ' ' HD2' ' A' ' 55' ' ' TYR . . . 75.65 170.43 28.6 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.53 -0.843 . . . . 61.12 111.516 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.7 p -69.7 118.82 13.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.378 0.609 . . . . 64.41 110.742 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.463 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 12.7 mmm180 -81.48 -34.63 31.24 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.612 -0.722 . . . . 65.5 110.228 178.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -147.58 148.98 21.01 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.012 -0.995 . . . . 72.53 110.988 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.6 t -154.78 106.99 2.73 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.844 -0.428 . . . . 63.41 109.844 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.601 ' HB ' HG11 ' A' ' 90' ' ' VAL . 26.8 pt -111.49 156.14 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.922 0.392 . . . . 70.42 111.324 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 57.1 m -94.79 121.48 36.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.527 -0.761 . . . . 75.22 110.055 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.808 HD23 HG12 ' A' ' 112' ' ' ILE . 6.6 mp -86.24 16.66 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.065 0.46 . . . . 64.12 110.936 -176.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.1 m -64.97 -45.95 83.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.805 -0.634 . . . . 72.12 110.727 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.24 15.75 5.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.38 -0.373 . . . . 75.2 111.39 -178.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.403 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -65.29 130.45 43.37 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.289 -0.414 . . . . 45.21 110.464 177.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.7 t -85.76 114.19 25.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.212 -0.449 . . . . 74.15 110.478 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.503 HG22 ' HD2' ' A' ' 86' ' ' PHE . 50.5 mt -81.36 99.35 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.364 -0.606 . . . . 71.4 109.364 177.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.432 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 14.6 m -102.43 113.14 66.02 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.125 -0.489 . . . . 73.22 110.953 -174.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 77' ' ' THR . 13.9 Cg_endo -57.58 130.93 41.37 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.118 1.879 . . . . 63.54 110.892 175.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -63.02 -24.53 67.96 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.25 -0.278 . . . . 71.43 110.25 -178.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.1 t70 73.28 -56.82 0.65 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.895 0.878 . . . . 71.24 111.845 171.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -66.9 -18.58 65.45 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.006 -0.738 . . . . 63.33 109.006 173.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -119.17 141.85 48.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.071 -0.968 . . . . 53.33 108.835 173.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -95.33 -16.01 22.7 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.135 -0.484 . . . . 75.21 110.694 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 65.7 m -116.04 -0.58 12.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.087 -0.506 . . . . 63.21 111.435 -174.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.543 ' HB2' ' HG3' ' A' ' 98' ' ' ARG . 56.8 ttm-85 -111.19 140.18 45.96 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.475 0.655 . . . . 72.34 111.846 176.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.503 ' HD2' HG22 ' A' ' 76' ' ' ILE . 10.1 m-85 -131.7 130.67 42.29 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.905 -1.043 . . . . 64.34 109.983 176.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.493 ' HA ' ' O ' ' A' ' 95' ' ' TRP . 1.4 m-20 -94.99 125.69 39.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.125 -0.489 . . . . 72.44 110.032 -178.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.794 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 33.1 mm -98.17 103.49 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.586 -0.279 . . . . 70.54 110.438 -178.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.3 m -106.25 114.34 28.4 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 121.223 0.535 . . . . 71.43 111.556 -176.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.601 HG11 ' HB ' ' A' ' 69' ' ' ILE . 14.8 p -140.09 128.56 26.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.05 -0.722 . . . . 51.01 109.05 174.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.483 HD22 HG22 ' A' ' 90' ' ' VAL . 50.9 m-80 61.31 22.63 12.97 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.466 0.174 . . . . 51.44 111.247 -176.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 32.8 t70 75.28 2.31 3.86 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 123.817 0.698 . . . . 64.24 111.601 -175.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 48.9 m -82.65 99.75 9.78 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.948 -0.76 . . . . 74.11 108.948 173.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 40.0 t -89.6 124.3 42.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.805 -0.634 . . . . 74.41 111.082 -175.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.794 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 25.3 m95 -109.21 165.03 11.92 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.653 -0.703 . . . . 73.42 109.24 177.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.47 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 2.4 m-85 -133.67 96.16 3.63 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.773 -0.371 . . . . 71.51 110.428 -176.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.7 mt -100.44 121.19 41.13 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.027 -0.36 . . . . 73.21 110.027 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.543 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 2.0 ttp180 -114.65 167.21 10.95 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.936 -0.394 . . . . 73.13 109.936 -178.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.513 ' HB1' ' O ' ' A' ' 101' ' ' ASP . . . -76.47 129.95 37.26 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.207 -0.451 . . . . 64.22 110.735 176.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.446 ' CD ' ' H ' ' A' ' 100' ' ' GLN . 0.1 OUTLIER -66.31 -45.7 79.42 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 107.943 -1.132 . . . . 71.53 107.943 173.359 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.513 ' O ' ' HB1' ' A' ' 99' ' ' ALA . 11.5 p-10 -105.82 120.93 47.53 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 114.475 -1.239 . . . . 64.22 108.237 169.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 31.6 Cg_exo -58.7 94.32 0.08 OUTLIER 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 123.317 2.678 . . . . 73.51 114.194 -170.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' A' ' 104' ' ' HIS . 7.7 t70 -161.59 -163.58 1.0 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.894 -0.78 . . . . 73.21 108.894 174.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.429 ' H ' ' CG ' ' A' ' 103' ' ' ASP . 73.0 m80 -63.21 146.49 53.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.94 0.4 . . . . 72.11 110.789 -176.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.792 ' NE ' ' HA ' ' A' ' 105' ' ' ARG . 3.9 mmp_? -90.24 34.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.624 0.726 . . . . 73.33 111.977 -178.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -61.55 -18.29 58.57 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.378 -1.283 . . . . 72.12 110.68 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -53.96 -43.46 69.93 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.412 -0.813 . . . . 72.41 110.315 177.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.744 ' HE1' ' HD3' ' A' ' 105' ' ' ARG . 14.0 m95 -75.46 -40.68 57.12 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 115.819 -0.628 . . . . 52.43 109.581 -175.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 29.7 mm -55.92 -56.86 10.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.339 -0.846 . . . . 73.53 109.417 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -55.89 -51.33 67.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.633 -0.712 . . . . 71.45 111.064 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.0 -53.87 51.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.338 -0.392 . . . . 63.44 111.708 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.808 HG12 HD23 ' A' ' 71' ' ' LEU . 45.7 mt -70.89 -44.91 75.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.678 -0.237 . . . . 71.23 111.423 -174.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.493 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 23.3 mm-40 -64.33 -28.63 69.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 73.15 111.049 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -89.73 -16.98 29.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.715 0.293 . . . . 63.0 111.289 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.537 ' HB3' ' O ' ' A' ' 49' ' ' ASN . 10.1 m-70 -97.81 -0.28 45.48 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.193 0.442 . . . . 74.24 112.193 175.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.976 ' HE2' ' HA ' ' A' ' 116' ' ' LYS . 8.1 mmpt? -40.57 133.04 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.434 0.901 . . . . 75.03 113.434 177.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.249 1.055 0 CA-C-N 114.443 -1.253 . . . . 53.24 109.079 177.647 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 109.701 -0.481 . . . . 73.24 109.701 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.675 ' HG2' ' HA ' ' A' ' 48' ' ' LYS . 4.6 mm-40 -78.19 -34.5 49.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.16 0.505 . . . . 74.23 110.559 -173.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.48 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 5.2 tpm_? -163.69 127.12 2.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.803 -0.635 . . . . 63.35 109.529 176.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.4 p -143.78 110.12 5.45 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.884 -0.413 . . . . 71.12 109.884 174.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.29 172.03 44.85 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.289 -0.958 . . . . 72.1 112.138 -178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.426 HG13 ' HE3' ' A' ' 44' ' ' TRP . 3.3 m -84.88 130.18 36.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.663 0.744 . . . . 52.05 111.116 179.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.431 HD21 ' O ' ' A' ' 96' ' ' TYR . 45.0 tp -114.92 135.29 54.37 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.862 -1.063 . . . . 63.13 109.366 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.3 m -89.31 114.16 25.52 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.057 0.456 . . . . 73.45 111.007 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HE3' ' CD1' ' A' ' 96' ' ' TYR . 25.2 tptp -140.89 122.29 14.97 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.487 -0.56 . . . . 70.34 109.487 177.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.665 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 3.9 p90 -74.78 129.6 37.98 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.05 0.452 . . . . 72.22 109.959 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.7 t -134.41 22.87 3.73 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.849 0.833 . . . . 75.44 108.764 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -140.77 -62.65 0.48 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.816 -1.084 . . . . 75.12 109.396 -178.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.534 ' O ' ' HB2' ' A' ' 33' ' ' TRP . 91.7 m-85 -141.24 159.8 41.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.866 -0.607 . . . . 75.53 109.571 175.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 68.3 mt -57.84 -47.53 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 120.715 0.293 . . . . 61.23 111.56 -177.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -81.48 -20.9 39.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.119 0.485 . . . . 73.53 110.224 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.36 72.45 0.95 Allowed Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.756 -0.735 . . . . 65.12 111.638 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.665 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 22.1 p90 -80.45 144.01 32.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.31 0.576 . . . . 65.42 110.671 178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -98.95 144.79 27.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.77 -0.65 . . . . 71.12 109.801 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -102.0 123.51 46.01 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.403 -0.592 . . . . 72.24 109.403 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.62 ' HD2' ' CE2' ' A' ' 54' ' ' TYR . 27.0 ptt180 -127.07 149.02 50.12 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.782 -0.645 . . . . 74.52 110.525 -174.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.426 ' HE3' HG13 ' A' ' 29' ' ' VAL . 68.3 t-105 -88.16 113.29 23.64 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.838 0.352 . . . . 70.34 110.261 -176.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.0 t -109.08 131.69 59.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 116.004 -0.544 . . . . 75.4 111.17 -174.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.55 ' O ' HD12 ' A' ' 52' ' ' LEU . 31.0 t -129.08 122.79 57.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-N 115.39 -0.823 . . . . 64.01 111.162 -179.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 48' ' ' LYS . 5.9 tt -116.66 130.83 56.96 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.995 -0.743 . . . . 74.05 108.995 176.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.675 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 52.1 pttt 179.74 161.79 0.9 Allowed 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.347 0.404 . . . . 71.25 110.876 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 56.28 32.6 20.69 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.512 0.507 . . . . 74.23 112.06 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.559 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 3.4 t-20 63.41 23.24 13.63 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.78 0.8 . . . . 65.41 110.263 -178.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.13 163.33 27.91 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.294 -0.866 . . . . 74.34 110.48 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.717 HD23 HD11 ' A' ' 69' ' ' ILE . 64.6 tp -140.48 134.76 31.15 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.305 -0.628 . . . . 73.0 109.305 177.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 49.6 m -149.45 145.95 27.18 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.331 -0.395 . . . . 63.45 109.992 -177.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.62 ' CE2' ' HD2' ' A' ' 43' ' ' ARG . 1.7 p90 -133.44 156.54 47.52 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.389 0.614 . . . . 61.14 110.917 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.445 ' CD1' ' HB3' ' A' ' 60' ' ' GLU . 4.1 m-85 -137.16 -179.71 5.88 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.091 -0.959 . . . . 72.21 109.616 -171.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -72.75 -38.0 67.5 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.196 0.443 . . . . 62.5 112.196 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.503 ' HB3' ' HE2' ' A' ' 63' ' ' TYR . 8.6 t -162.01 -168.58 1.95 Allowed 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.791 -0.364 . . . . 63.24 110.533 -176.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -64.75 -24.19 67.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.854 -0.612 . . . . 72.1 112.102 -172.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.443 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 9.8 m-20 -81.64 42.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.163 0.506 . . . . 73.04 110.79 176.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -46.86 -33.39 4.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.118 -0.946 . . . . 71.42 113.336 -178.56 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.1 t -58.0 -26.86 62.93 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.233 0.456 . . . . 74.45 112.233 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -113.37 1.66 15.2 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.513 -0.475 . . . . 64.32 111.265 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.503 ' HE2' ' HB3' ' A' ' 57' ' ' SER . 16.3 m-85 -99.39 6.06 46.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.208 0.527 . . . . 74.22 110.528 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.83 -112.58 4.84 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.269 -0.878 . . . . 71.12 112.482 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.5 p -163.56 116.94 1.52 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.14 -0.689 . . . . 75.35 109.14 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 -90.99 -8.64 48.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.693 0.758 . . . . 75.43 109.89 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -172.92 129.51 1.71 Allowed Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 114.711 -1.131 . . . . 63.44 110.51 176.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.7 t -142.91 129.45 20.18 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.751 0.31 . . . . 70.04 110.286 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.717 HD11 HD23 ' A' ' 52' ' ' LEU . 16.5 pt -134.43 156.29 40.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.932 -0.577 . . . . 64.21 111.003 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 99.3 m -104.99 125.88 51.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.009 -0.541 . . . . 43.04 110.018 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.982 HD23 HG12 ' A' ' 112' ' ' ILE . 6.3 mp -82.9 10.54 7.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.763 -0.653 . . . . 65.01 111.734 -171.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.9 t -83.73 -13.12 54.76 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.851 -0.425 . . . . 72.04 109.851 174.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.4 22.25 2.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.215 0.531 . . . . 74.22 110.287 175.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.985 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -92.59 106.6 18.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.704 -0.68 . . . . 61.01 110.288 179.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.2 t -81.41 123.25 37.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.91 -0.587 . . . . 71.42 110.538 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.608 HD11 HD12 ' A' ' 112' ' ' ILE . 59.8 mt -81.96 106.18 12.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.011 -0.541 . . . . 64.42 110.691 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 90.3 m -94.07 124.15 57.01 Favored Pre-proline 0 C--N 1.317 -0.823 0 CA-C-N 115.816 -0.629 . . . . 74.31 109.702 176.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 16.7 Cg_exo -66.78 135.68 39.19 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.29 1.993 . . . . 74.32 111.52 178.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.514 ' HD2' ' N ' ' A' ' 81' ' ' PHE . 30.2 p-80 -44.44 161.53 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 121.343 0.592 . . . . 74.14 112.233 172.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -107.58 -6.93 16.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.959 -0.564 . . . . 71.3 109.977 174.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.514 ' N ' ' HD2' ' A' ' 79' ' ' HIS . 0.4 OUTLIER -152.13 -56.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.789 0.662 . . . . 74.25 112.789 -171.562 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.593 ' HB3' ' CB ' ' A' ' 85' ' ' ARG . 13.7 t70 -65.92 130.0 41.73 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 120.939 0.399 . . . . 71.5 111.686 -171.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -65.58 -22.59 66.7 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.698 -0.683 . . . . 75.05 112.06 -172.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 98' ' ' ARG . 59.4 m -119.89 0.92 10.93 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.85 -0.34 . . . . 62.31 111.842 -175.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.593 ' CB ' ' HB3' ' A' ' 82' ' ' ASP . 20.9 ttm180 -84.19 142.94 29.96 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.762 0.792 . . . . 72.34 112.849 -176.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.551 ' CE2' ' HG3' ' A' ' 105' ' ' ARG . 7.5 m-85 -138.7 118.07 12.83 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.154 -1.385 . . . . 74.4 108.556 166.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -88.41 121.19 30.52 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.562 -0.745 . . . . 62.53 110.195 -173.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.791 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 31.8 mm -91.25 139.84 17.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.799 -0.445 . . . . 54.54 109.799 -179.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.7 p -133.74 114.57 13.57 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.388 0.613 . . . . 44.01 110.798 176.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.985 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 1.9 p -158.3 134.65 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.546 -0.752 . . . . 73.24 109.926 -177.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 59.66 26.88 16.02 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.059 0.456 . . . . 73.41 110.773 -178.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.5 t70 65.45 11.31 7.28 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.012 -0.994 . . . . 60.32 111.287 -175.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.3 m -96.87 113.23 24.76 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.371 -0.603 . . . . 54.13 109.371 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 48.6 t -94.1 123.36 46.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.157 0.503 . . . . 73.42 110.458 -178.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.791 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 28.6 m95 -111.08 155.74 22.36 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.687 -0.688 . . . . 53.44 109.906 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.47 ' CD1' ' HE3' ' A' ' 32' ' ' LYS . 41.8 m-85 -123.82 92.83 3.76 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 109.699 -0.482 . . . . 61.41 109.699 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.438 HD23 HG12 ' A' ' 88' ' ' ILE . 4.6 mm? -90.9 148.77 22.24 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.835 -0.432 . . . . 74.43 109.835 -178.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 2.9 ttt180 -140.19 136.23 33.22 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.097 -0.501 . . . . 74.12 110.159 -177.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.33 172.48 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.548 -0.296 . . . . 74.13 110.446 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -56.77 -65.96 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 75.1 111.243 -176.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.676 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 20.3 t70 -166.38 -53.63 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 116.314 -0.403 . . . . 70.14 110.379 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.676 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 86.7 Cg_endo -85.89 -162.5 0.15 Allowed 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.202 1.935 . . . . 54.12 111.369 173.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -74.86 95.62 2.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.441 0.639 . . . . 73.43 110.692 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.45 29.36 0.78 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.74 0.781 . . . . 73.23 108.917 176.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.666 HH11 HG13 ' A' ' 109' ' ' ILE . 1.0 OUTLIER -67.49 -25.9 66.09 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 114.561 -1.199 . . . . 72.11 110.826 -179.672 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -50.55 -19.67 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.265 -0.879 . . . . 62.32 112.658 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -49.62 -49.8 45.51 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-O 120.969 0.414 . . . . 71.11 110.689 176.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.423 ' O ' HG13 ' A' ' 112' ' ' ILE . 10.6 m95 -70.02 -46.16 65.68 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 115.752 -0.658 . . . . 73.35 109.805 -174.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.666 HG13 HH11 ' A' ' 105' ' ' ARG . 17.6 mm -59.79 -58.63 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.149 -0.932 . . . . 73.34 110.085 -177.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -55.48 -49.4 72.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.64 -0.709 . . . . 64.0 111.112 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.51 -59.49 4.38 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.216 -0.447 . . . . 54.01 111.041 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.982 HG12 HD23 ' A' ' 71' ' ' LEU . 19.8 mt -67.68 -48.79 74.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.686 -0.406 . . . . 75.33 111.346 -174.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -54.25 -41.82 69.22 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.874 0.369 . . . . 70.45 111.898 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -83.48 -26.98 29.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.254 -0.43 . . . . 74.23 111.861 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 16.6 m-70 -91.5 -23.96 19.8 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.108 0.781 . . . . 63.32 113.108 -176.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.467 ' O ' ' HE3' ' A' ' 116' ' ' LYS . 0.9 OUTLIER -69.56 152.46 44.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.133 0.492 . . . . 73.13 110.634 -177.455 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 37.6 p . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.789 -0.624 . . . . 72.34 110.495 -179.311 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.625 0.25 . . . . 44.13 110.419 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.414 ' CD ' ' HE2' ' A' ' 115' ' ' HIS . 2.7 mm-40 -68.41 -55.78 10.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.244 0.545 . . . . 63.11 109.921 -177.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 3.0 tpm_? -154.62 129.22 9.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.602 -0.727 . . . . 73.43 109.782 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 12.6 p -139.67 115.34 10.07 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.47 -0.567 . . . . 55.42 109.47 174.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -162.83 176.43 39.12 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.551 -0.833 . . . . 70.53 111.972 -178.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.1 m -88.95 137.46 21.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.627 0.727 . . . . 72.52 111.441 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.1 tp -116.79 131.44 56.95 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.95 -1.023 . . . . 74.43 109.361 176.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 p -99.06 113.74 26.09 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.105 -0.498 . . . . 52.43 110.699 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.458 ' HE3' ' CE3' ' A' ' 33' ' ' TRP . 36.0 tptt -158.43 165.57 34.33 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.505 -0.554 . . . . 75.52 109.505 177.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.878 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 3.5 p90 -62.07 152.14 33.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.079 0.466 . . . . 74.24 110.815 -174.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.653 ' HB ' ' NH2' ' A' ' 43' ' ' ARG . 10.1 t -125.93 -31.97 2.84 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.1 -0.5 . . . . 53.31 109.985 175.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.764 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 16.5 m120 -151.31 177.64 10.05 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.197 -1.038 . . . . 73.22 108.197 177.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -75.88 -60.01 2.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.11 0.481 . . . . 75.4 110.299 175.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.0 tp -81.52 -12.11 12.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.289 0.566 . . . . 71.22 111.34 -176.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.764 ' HB3' ' HB2' ' A' ' 35' ' ' ASN . 13.6 t-160 -94.06 -2.57 52.7 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.662 -0.496 . . . . 72.2 109.662 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.66 -157.06 42.24 Favored Glycine 0 C--O 1.239 0.431 0 CA-C-N 115.537 -0.756 . . . . 71.21 113.744 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.878 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 46.3 p90 -93.98 138.97 31.5 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.481 -0.562 . . . . 71.03 109.481 177.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.51 ' HB3' HH21 ' A' ' 43' ' ' ARG . 16.4 tt0 -132.36 165.78 23.46 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.909 0.385 . . . . 71.25 110.07 -175.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -86.82 151.54 23.27 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.085 -0.709 . . . . 70.11 109.085 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.653 ' NH2' ' HB ' ' A' ' 34' ' ' THR . 3.0 ptp180 -147.48 142.74 27.27 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.996 -0.547 . . . . 71.34 109.592 175.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.661 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 68.7 t-105 -89.01 110.7 21.36 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.627 -0.429 . . . . 74.22 110.043 -174.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.475 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 18.6 m -105.2 138.33 30.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-O 121.11 0.481 . . . . 64.3 110.476 -176.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.51 HG13 ' HB2' ' A' ' 53' ' ' SER . 7.1 p -139.06 126.44 25.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.712 -0.676 . . . . 72.51 110.317 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.406 HD23 ' N ' ' A' ' 48' ' ' LYS . 5.9 tt -106.31 129.54 54.31 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.075 -0.713 . . . . 74.41 109.075 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.531 ' HG3' HD22 ' A' ' 49' ' ' ASN . 52.6 tptt -173.27 146.11 1.38 Allowed 'General case' 0 C--N 1.333 -0.135 0 O-C-N 123.253 0.346 . . . . 74.12 110.234 -178.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.531 HD22 ' HG3' ' A' ' 48' ' ' LYS . 35.7 m-80 59.84 27.11 16.38 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.141 0.423 . . . . 64.31 112.141 178.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.459 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 2.8 t-20 73.68 3.59 4.54 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.363 0.665 . . . . 75.24 110.712 179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.18 148.74 29.48 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.561 -0.745 . . . . 74.22 109.742 177.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.44 ' HB2' HD21 ' A' ' 71' ' ' LEU . 43.8 tp -119.76 131.45 55.35 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 109.65 -0.5 . . . . 72.43 109.65 178.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.51 ' HB2' HG13 ' A' ' 46' ' ' VAL . 75.8 m -127.13 155.88 42.64 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.48 -0.782 . . . . 71.15 110.205 -172.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.661 ' HA ' ' O ' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -148.38 148.11 29.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.367 0.603 . . . . 70.21 110.885 172.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -121.35 171.74 8.54 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.928 -1.033 . . . . 61.43 109.263 -178.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.509 ' HD2' ' CD1' ' A' ' 63' ' ' TYR . 95.7 mttt -60.39 -36.3 77.77 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.372 0.42 . . . . 74.51 111.087 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.7 t -167.91 -164.6 0.57 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.008 -0.738 . . . . 54.24 109.008 175.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -69.36 -32.55 71.67 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.244 0.34 . . . . 71.0 111.601 -171.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -78.57 54.88 1.54 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.875 0.845 . . . . 42.51 109.569 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.457 ' HA ' ' HB2' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -51.33 -20.19 1.61 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.226 -1.352 . . . . 74.05 112.496 178.398 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -47.18 64.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.96 -0.564 . . . . 65.4 112.238 178.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -100.67 -0.81 36.73 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.014 0.435 . . . . 55.14 110.892 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.509 ' CD1' ' HD2' ' A' ' 56' ' ' LYS . 16.9 m-85 -99.86 -8.74 23.71 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.224 -0.443 . . . . 73.25 111.343 -176.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 67.16 -91.15 0.19 Allowed Glycine 0 C--N 1.331 0.305 0 O-C-N 123.549 0.531 . . . . 62.3 112.704 173.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.8 p -167.68 149.87 5.72 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.584 -0.525 . . . . 52.35 109.584 176.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.522 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 11.3 mmm180 -119.08 -46.66 2.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.204 0.526 . . . . 72.22 111.373 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -144.48 145.46 14.97 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.323 -0.942 . . . . 73.0 112.462 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.2 p -149.39 113.72 5.24 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.92 -0.4 . . . . 62.21 109.92 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 44.8 pt -116.16 164.24 12.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.086 -0.506 . . . . 74.13 110.927 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 72.1 m -109.45 126.7 53.76 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.823 -0.626 . . . . 53.15 110.103 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.443 ' HG ' HG12 ' A' ' 112' ' ' ILE . 4.1 mm? -73.14 10.16 1.03 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.292 -0.413 . . . . 73.12 111.883 -177.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 p -73.9 -58.42 3.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.266 -0.425 . . . . 74.31 111.111 178.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.94 -6.29 22.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.335 -0.393 . . . . 65.23 111.199 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.419 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -72.31 112.94 8.81 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.768 -0.456 . . . . 60.02 109.768 176.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 69.3 t -77.05 124.71 35.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.146 -0.479 . . . . 62.12 111.423 -173.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.549 HD11 HD13 ' A' ' 112' ' ' ILE . 47.0 mt -79.96 100.04 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.678 -0.692 . . . . 62.13 109.601 173.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.424 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 18.0 m -101.09 107.8 51.71 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 116.053 -0.522 . . . . 51.04 109.856 177.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 77' ' ' THR . 18.8 Cg_endo -59.47 130.15 34.36 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.261 1.974 . . . . 52.33 110.885 176.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.469 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 18.7 t60 -75.32 138.69 41.97 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.507 -0.553 . . . . 74.21 109.507 -178.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -85.17 -44.49 12.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.084 0.469 . . . . 73.4 110.727 -174.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -71.27 -31.74 67.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.722 -0.672 . . . . 65.1 110.463 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.469 ' H ' ' HD2' ' A' ' 79' ' ' HIS . 1.5 m-20 -115.0 108.33 16.55 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 115.598 -0.728 . . . . 64.42 109.687 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.56 -37.59 71.06 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.282 0.563 . . . . 71.31 110.046 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 31.5 m -82.19 12.55 4.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.594 -0.73 . . . . 70.01 111.353 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.743 ' HD3' ' HB3' ' A' ' 96' ' ' TYR . 30.7 ttm-85 -120.6 141.69 50.09 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.407 0.623 . . . . 71.12 111.248 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -127.78 131.91 49.56 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.156 -0.929 . . . . 73.02 109.422 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.482 ' OD1' HG22 ' A' ' 94' ' ' VAL . 17.5 t70 -104.32 132.93 50.03 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.717 -0.674 . . . . 44.33 110.8 -175.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.738 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 32.2 mm -111.9 101.51 12.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 CA-C-N 116.046 -0.525 . . . . 74.14 110.198 -178.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.1 p -108.23 118.57 37.11 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 120.803 0.335 . . . . 73.24 111.411 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.419 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 10.7 p -132.45 123.82 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.32 -0.622 . . . . 71.31 109.32 174.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.9 p30 43.59 -78.62 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.734 1.214 . . . . 64.34 113.759 -169.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -126.07 -18.27 5.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.314 0.578 . . . . 74.53 110.62 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.542 ' HB3' ' HE1' ' A' ' 95' ' ' TRP . 18.7 m -80.09 117.17 20.66 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.45 -0.795 . . . . 63.14 110.005 -177.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.482 HG22 ' OD1' ' A' ' 87' ' ' ASP . 9.8 p -124.05 121.9 63.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.416 0.627 . . . . 72.11 110.163 -176.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.738 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 17.6 m95 -118.66 100.97 7.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.102 -0.499 . . . . 73.44 111.41 -168.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.743 ' HB3' ' HD3' ' A' ' 85' ' ' ARG . 33.4 m-85 -87.75 80.6 7.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.424 -0.353 . . . . 70.32 111.162 -178.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -89.25 142.83 27.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 75.04 110.955 -175.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.507 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 0.5 OUTLIER -121.45 155.76 34.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.451 -0.341 . . . . 73.24 110.675 -178.072 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.472 ' O ' ' HG2' ' A' ' 100' ' ' GLN . . . -79.87 49.5 1.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 75.52 111.338 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.71 ' HG2' ' H ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER 48.48 -76.98 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.983 1.313 . . . . 75.33 113.01 -176.063 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.774 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 21.6 t70 -149.34 -55.09 0.02 OUTLIER Pre-proline 0 C--N 1.319 -0.726 0 O-C-N 122.061 -0.4 . . . . 74.23 111.097 -178.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.774 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 37.3 Cg_exo -62.28 121.04 8.88 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 121.862 1.708 . . . . 63.41 111.649 175.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -65.13 99.79 0.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 73.4 110.831 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.705 ' HB3' HE22 ' A' ' 106' ' ' GLN . 0.1 OUTLIER -168.28 91.08 0.3 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.356 -1.349 . . . . 72.52 107.356 176.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -92.28 -4.13 54.45 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-N 114.803 -1.089 . . . . 74.42 111.323 -163.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.705 HE22 ' HB3' ' A' ' 104' ' ' HIS . 5.6 pm0 -62.94 -11.01 15.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.318 -0.855 . . . . 71.11 110.87 -172.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -53.22 -45.84 68.82 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.277 -0.42 . . . . 65.21 110.203 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -72.92 -41.3 64.7 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.138 -0.69 . . . . 74.21 109.138 -176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.8 mm -59.12 -56.67 15.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.218 -0.901 . . . . 74.34 110.229 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -62.11 -47.88 82.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.564 -0.744 . . . . 74.5 111.103 -176.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.04 -58.47 7.76 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.434 0.635 . . . . 51.32 110.847 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.549 HD13 HD11 ' A' ' 76' ' ' ILE . 43.7 mt -66.11 -45.53 90.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.825 -0.625 . . . . 71.53 111.162 -174.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.473 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 4.9 mm-40 -58.05 -39.58 78.82 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.45 0.537 . . . . 73.12 112.45 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -81.09 -20.33 41.75 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 120.645 -0.422 . . . . 62.42 111.471 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.459 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 22.7 m-70 -101.74 -18.65 15.71 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 114.266 1.21 . . . . 54.21 114.266 -178.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.564 ' HD2' ' C ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -67.33 160.52 27.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.303 0.573 . . . . 62.44 112.093 -172.495 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 C--O 1.252 1.193 0 CA-C-N 115.385 -0.825 . . . . 71.21 110.021 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 120.652 0.263 . . . . 74.23 110.363 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -94.24 -70.86 0.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.618 -0.512 . . . . 73.01 109.618 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.14 117.68 22.03 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.271 -0.422 . . . . 72.44 109.934 174.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 p -132.25 118.43 19.49 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.296 -0.631 . . . . 63.53 109.296 175.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.33 -177.72 39.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.091 -1.052 . . . . 64.13 112.493 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.691 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 0.4 OUTLIER -97.91 134.97 34.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.385 0.612 . . . . 63.33 111.893 -179.531 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.505 HD23 ' HE ' ' A' ' 43' ' ' ARG . 61.4 tp -114.07 116.24 28.84 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.054 -0.975 . . . . 63.03 109.585 177.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 p -80.3 106.73 12.54 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.235 -0.439 . . . . 63.22 111.044 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.614 ' HE2' ' CD1' ' A' ' 96' ' ' TYR . 6.1 tmtm? -159.24 159.19 33.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.48 -0.327 . . . . 74.25 110.244 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.525 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 2.2 t90 -52.76 127.69 24.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.857 -0.61 . . . . 63.35 111.094 176.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 t -130.33 -12.56 3.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.851 -0.613 . . . . 72.05 110.305 176.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -145.01 -64.59 0.34 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 64.44 110.446 -174.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -119.96 153.65 35.64 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.543 -0.54 . . . . 61.23 109.543 177.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.9 tp -59.56 -42.11 87.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 N-CA-C 111.82 0.304 . . . . 75.45 111.82 -176.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -96.64 14.32 25.27 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.324 0.583 . . . . 74.21 110.252 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.65 47.33 1.04 Allowed Glycine 0 N--CA 1.441 -1.029 0 CA-C-N 115.152 -0.931 . . . . 43.14 110.883 178.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -70.06 140.6 52.81 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.181 0.515 . . . . 75.54 110.059 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -123.38 164.39 18.95 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.948 -0.569 . . . . 74.32 110.939 -175.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.691 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 12.4 p-10 -92.24 95.88 9.97 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.046 -0.979 . . . . 75.04 109.249 175.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.505 ' HE ' HD23 ' A' ' 30' ' ' LEU . 33.0 ptt180 -89.94 152.34 21.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.323 -0.853 . . . . 71.13 109.786 -175.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -92.43 113.44 25.72 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.188 -0.605 . . . . 74.11 110.328 -173.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.418 HG12 ' HB2' ' A' ' 54' ' ' TYR . 29.0 m -109.71 140.37 28.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.232 0.539 . . . . 72.43 110.674 -177.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.461 ' O ' HD12 ' A' ' 52' ' ' LEU . 40.1 t -133.54 123.38 46.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.043 -0.98 . . . . 44.21 111.086 -176.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.2 tt -108.8 119.03 38.33 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.361 -0.977 . . . . 64.01 108.361 173.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -160.48 157.37 27.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.99 -0.096 . . . . 64.32 110.899 -175.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.602 ' O ' ' HB3' ' A' ' 115' ' ' HIS . 88.9 m-20 65.94 -78.77 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.238 0.615 . . . . 74.41 110.979 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.479 ' OD1' ' HA ' ' A' ' 116' ' ' LYS . 3.7 t-20 -174.73 33.4 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.223 -1.769 . . . . 74.21 106.223 171.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.09 150.31 46.75 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 113.811 -1.54 . . . . 55.24 110.295 -176.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.473 ' O ' ' HA ' ' A' ' 68' ' ' SER . 56.9 tp -116.65 131.16 57.02 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.669 -0.696 . . . . 70.43 109.148 176.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.0 m -137.39 159.45 41.89 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.745 -0.465 . . . . 61.5 109.745 -177.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.631 ' HB3' ' HZ3' ' A' ' 95' ' ' TRP . 1.5 p90 -143.83 154.96 43.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.315 0.579 . . . . 74.31 110.701 176.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 60' ' ' GLU . 11.6 m-85 -130.17 165.52 22.16 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.249 -0.887 . . . . 73.44 109.213 -176.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.813 ' HE2' ' HA ' ' A' ' 56' ' ' LYS . 8.5 mmpt? -59.2 -35.34 73.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.268 -0.424 . . . . 72.32 111.349 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.681 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 11.0 t -163.95 -161.86 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.448 -0.575 . . . . 71.03 109.448 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 43.4 tt0 -72.16 -29.63 64.2 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 122.713 0.405 . . . . 63.02 111.545 -170.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -77.14 52.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.735 0.778 . . . . 74.45 109.781 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.44 ' HB3' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -44.07 -38.82 3.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.456 -1.247 . . . . 72.31 114.304 -179.275 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.0 t -66.71 -30.46 70.71 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.82 0.343 . . . . 72.14 111.564 -177.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -85.7 -32.13 22.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.349 0.595 . . . . 73.13 110.184 178.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.681 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 29.1 m-85 -87.18 -28.93 22.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.462 -0.79 . . . . 70.24 112.073 -172.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.26 153.23 8.62 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.043 -0.598 . . . . 74.11 112.411 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.5 p -69.09 101.03 1.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.464 0.649 . . . . 70.13 110.066 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.509 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 5.2 mmm180 -71.84 -30.56 65.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.317 -0.856 . . . . 74.45 110.649 -174.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -150.4 150.37 22.38 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.305 -1.118 . . . . 62.31 110.305 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 12.2 p -164.73 125.14 2.0 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.847 0.324 . . . . 55.24 110.947 -176.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 34.2 pt -128.47 155.87 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.947 0.404 . . . . 72.11 111.281 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 57.4 m -89.89 126.38 35.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.741 -0.663 . . . . 61.31 110.488 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.92 HD13 HG12 ' A' ' 112' ' ' ILE . 92.6 mt -82.18 46.7 1.05 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.799 -0.637 . . . . 74.54 111.464 -176.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.2 t -109.77 -37.73 5.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.299 0.571 . . . . 45.53 110.096 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.508 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -123.72 18.66 9.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.601 -0.727 . . . . 75.33 109.545 -179.435 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.26 109.05 20.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.246 -0.888 . . . . 71.12 109.68 178.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t -82.98 135.47 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.0 0.429 . . . . 72.14 111.14 -175.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.664 HD11 HD12 ' A' ' 112' ' ' ILE . 41.7 mt -87.04 99.77 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.692 -0.686 . . . . 74.52 109.832 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.6 m -105.61 118.96 54.17 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.275 -0.42 . . . . 73.41 110.992 -177.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.2 129.41 31.48 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.343 2.029 . . . . 60.42 111.464 176.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.492 ' HB2' ' HG2' ' A' ' 85' ' ' ARG . 13.1 t60 -70.14 147.58 49.74 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.989 -0.374 . . . . 71.55 109.989 -176.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -70.24 -55.99 7.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.207 -0.452 . . . . 74.3 111.793 -173.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -90.01 -6.29 55.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.43 0.633 . . . . 75.33 110.803 -175.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.655 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . 4.8 m-20 -125.76 112.78 16.46 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.711 -0.677 . . . . 64.24 110.288 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -75.4 -41.14 56.87 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.199 0.523 . . . . 65.23 110.734 -176.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 69.4 m -82.74 -4.23 57.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.91 -0.586 . . . . 74.42 110.804 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.655 ' HB3' ' CB ' ' A' ' 82' ' ' ASP . 21.0 ttm180 -99.22 143.11 29.85 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.487 0.661 . . . . 75.1 110.697 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -134.59 123.37 23.72 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.663 -1.153 . . . . 75.34 110.213 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.431 ' HB3' ' CG1' ' A' ' 94' ' ' VAL . 45.8 m-20 -87.05 107.43 18.43 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.002 -0.999 . . . . 74.44 109.788 -178.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.881 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 34.0 mm -79.15 98.0 2.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.095 -0.706 . . . . 74.53 109.095 176.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.8 p -104.53 106.44 16.93 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-O 121.526 0.679 . . . . 71.03 112.177 -171.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.679 HG22 ' H ' ' A' ' 91' ' ' ASN . 5.2 p -104.29 -173.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 106.998 -1.482 . . . . 70.05 106.998 169.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.679 ' H ' HG22 ' A' ' 90' ' ' VAL . 5.0 m-80 -53.05 103.04 0.06 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-N 118.393 0.542 . . . . 73.41 111.09 -178.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.6 t70 75.03 -25.32 0.2 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.903 0.881 . . . . 72.43 112.883 174.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.578 ' HB2' HG12 ' A' ' 90' ' ' VAL . 20.2 m -96.07 110.02 22.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.934 0.397 . . . . 73.02 111.026 -176.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 87' ' ' ASP . 45.3 t -106.64 122.63 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.138 0.494 . . . . 72.1 110.156 177.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.881 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 29.8 m95 -104.22 98.04 7.91 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.003 -0.544 . . . . 72.54 110.592 -178.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.614 ' CD1' ' HE2' ' A' ' 32' ' ' LYS . 1.8 m-85 -74.18 75.93 1.79 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.819 -0.628 . . . . 64.42 110.216 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.634 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 15.9 tp -89.1 166.93 13.54 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.429 -0.952 . . . . 60.01 108.429 -176.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.511 ' HA ' ' HA ' ' A' ' 85' ' ' ARG . 6.2 ttm180 -152.91 145.71 24.39 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 119.8 -0.76 . . . . 70.25 110.938 -176.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -79.1 128.84 33.79 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.971 -0.752 . . . . 75.31 108.971 172.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.58 ' CD ' ' H ' ' A' ' 100' ' ' GLN . 0.4 OUTLIER -53.07 -68.25 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 123.734 0.646 . . . . 74.04 112.54 -175.848 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.78 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 28.0 t70 -163.15 -58.51 0.01 OUTLIER Pre-proline 0 N--CA 1.465 0.314 0 N-CA-C 111.915 0.339 . . . . 60.21 111.915 179.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.78 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 12.6 Cg_exo -71.31 -44.1 1.26 Allowed 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 122.01 1.806 . . . . 51.22 111.551 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.43 ' HB3' ' CG ' ' A' ' 107' ' ' GLN . 0.8 OUTLIER -76.45 158.92 30.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.444 -0.798 . . . . 73.31 109.484 179.469 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.432 ' HB3' ' H ' ' A' ' 105' ' ' ARG . 52.5 m80 -139.58 -163.81 1.56 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.719 -0.219 . . . . 72.21 110.951 -177.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.432 ' H ' ' HB3' ' A' ' 104' ' ' HIS . 47.4 ttp180 -43.96 -43.8 6.8 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.958 0.903 . . . . 74.53 112.594 -176.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -55.56 -23.98 29.95 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.191 0.812 . . . . 64.54 113.191 -171.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.43 ' CG ' ' HB3' ' A' ' 103' ' ' ASP . 28.3 mm-40 -58.04 -47.43 83.12 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.288 0.566 . . . . 72.42 110.184 177.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -76.43 -41.17 48.52 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 115.271 -0.877 . . . . 73.32 109.56 -174.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.9 mm -57.7 -56.7 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-N 115.114 -0.948 . . . . 73.23 109.578 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -55.38 -50.76 68.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.947 -0.569 . . . . 75.1 111.084 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.09 -60.74 2.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.416 0.626 . . . . 55.13 111.521 -178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.92 HG12 HD13 ' A' ' 71' ' ' LEU . 20.0 mt -69.31 -44.92 80.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.091 -0.504 . . . . 70.23 111.187 -174.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.579 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 5.6 mm-40 -61.43 -29.75 70.14 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.779 0.323 . . . . 72.2 111.774 -178.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -85.09 -29.08 25.17 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.761 -0.376 . . . . 73.54 110.802 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.602 ' HB3' ' O ' ' A' ' 49' ' ' ASN . 8.0 m-70 -93.63 -23.24 18.34 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 114.801 1.408 . . . . 74.43 114.801 -174.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.579 ' HE2' ' O ' ' A' ' 113' ' ' GLU . 0.0 OUTLIER -67.97 157.9 34.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.135 0.493 . . . . 65.22 111.768 -174.805 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.1 p . . . . . 0 C--O 1.247 0.922 0 CA-C-N 115.505 -0.77 . . . . 62.14 110.326 -177.754 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 121.33 0.586 . . . . 64.21 111.364 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.69 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 1.7 pm0 -82.2 127.37 33.1 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 114.916 -1.038 . . . . 74.12 110.743 172.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.537 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 1.4 tpm_? -94.76 111.14 22.94 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.899 -1.046 . . . . 71.52 108.535 174.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.506 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 15.1 p -120.74 108.05 13.51 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 109.4 -0.593 . . . . 74.52 109.4 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.82 165.92 35.34 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 119.92 -1.133 . . . . 74.23 112.839 -176.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.597 HG13 ' HE3' ' A' ' 44' ' ' TRP . 1.3 m -91.77 133.47 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.517 0.675 . . . . 53.12 111.34 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.455 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 56.8 tp -109.67 118.16 35.81 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.812 -1.086 . . . . 62.33 109.296 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.7 p -81.36 107.09 13.85 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.212 0.53 . . . . 63.11 110.542 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -144.36 144.79 31.61 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.109 -0.701 . . . . 73.24 109.109 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 1.071 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 29.9 p90 -69.48 149.76 47.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.986 0.422 . . . . 74.42 111.437 -174.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.554 ' HB ' ' NE2' ' A' ' 41' ' ' GLN . 5.5 t -128.18 -22.38 3.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.783 -0.644 . . . . 52.33 110.59 178.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -115.83 -83.95 0.62 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.96 0.41 . . . . 62.3 110.296 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.418 ' O ' ' HB2' ' A' ' 33' ' ' TRP . 7.4 t80 -105.34 176.96 4.99 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.096 -0.705 . . . . 74.44 109.096 178.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 67.1 mt -51.47 -49.34 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 112.101 0.408 . . . . 75.3 112.101 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -94.45 12.68 26.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.287 0.565 . . . . 70.15 110.403 178.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -97.02 58.85 1.19 Allowed Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.931 -0.868 . . . . 53.53 110.931 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 1.071 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 61.5 p-90 -91.9 155.21 18.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.881 0.372 . . . . 74.33 110.958 -177.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.554 ' NE2' ' HB ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -127.96 169.42 14.01 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.318 -0.623 . . . . 74.43 109.318 176.094 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.535 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 10.8 p-10 -103.26 98.68 8.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.614 -0.721 . . . . 62.51 109.992 178.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.606 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 13.3 ptp180 -90.85 139.76 30.44 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.557 -0.747 . . . . 71.22 110.4 -176.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.597 ' HE3' HG13 ' A' ' 29' ' ' VAL . 69.6 t-105 -92.5 112.27 24.15 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 120.33 -0.548 . . . . 70.22 110.498 -175.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.456 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 21.4 m -106.3 143.03 17.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.995 0.426 . . . . 63.42 110.509 -176.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.567 ' O ' HD12 ' A' ' 52' ' ' LEU . 84.8 t -129.96 116.82 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.975 -1.011 . . . . 75.41 110.454 -178.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.69 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 3.5 tm? -117.81 113.13 21.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.061 -0.518 . . . . 61.31 110.156 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.636 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 13.6 tptm -174.82 154.21 1.87 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.169 -0.678 . . . . 62.1 109.169 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 67.84 21.35 9.1 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.007 0.432 . . . . 54.13 110.444 176.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.409 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 2.4 t-20 69.27 14.29 8.57 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.146 -0.934 . . . . 53.34 110.237 -178.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.55 155.49 30.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.981 -0.554 . . . . 72.34 110.243 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 46' ' ' VAL . 60.5 tp -138.28 134.47 34.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.831 -0.622 . . . . 72.43 109.558 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.7 m -148.01 152.27 37.15 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.444 -0.344 . . . . 64.2 110.11 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.606 ' HD2' ' HB2' ' A' ' 43' ' ' ARG . 2.6 p90 -135.36 153.69 51.75 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.263 -0.575 . . . . 73.25 111.782 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -128.55 178.05 6.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.152 -0.931 . . . . 74.23 109.973 -175.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.719 ' HE2' HH21 ' A' ' 66' ' ' ARG . 89.1 mttt -53.06 -50.79 63.63 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.456 0.472 . . . . 71.42 110.59 175.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 t -167.17 -165.42 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.296 -0.631 . . . . 74.33 109.296 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.415 ' C ' ' H ' ' A' ' 60' ' ' GLU . 35.5 tt0 -62.34 -31.16 71.75 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 122.992 0.517 . . . . 71.45 112.388 -170.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.27 44.66 0.43 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.849 0.833 . . . . 54.05 110.088 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.579 ' HA ' ' HB2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -56.19 -20.64 18.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.688 -1.142 . . . . 54.11 113.041 -177.355 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 t -53.11 -38.96 63.07 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.429 0.456 . . . . 74.43 112.055 -174.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -114.71 6.11 15.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 70.55 111.142 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.579 ' HB2' ' HA ' ' A' ' 60' ' ' GLU . 15.1 m-30 -92.05 -37.28 12.89 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.924 -0.311 . . . . 74.05 111.431 -175.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.04 159.5 22.56 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.426 -0.892 . . . . 54.13 111.743 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.8 p -81.97 133.36 35.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.319 0.58 . . . . 73.51 111.285 -176.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.719 HH21 ' HE2' ' A' ' 56' ' ' LYS . 19.3 mmt85 -90.64 -29.23 17.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.507 -0.769 . . . . 73.43 110.482 178.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -157.43 147.55 15.86 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.614 -0.721 . . . . 51.41 111.466 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.8 p -148.03 132.44 17.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.613 0.244 . . . . 72.32 110.786 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.533 HD11 HD23 ' A' ' 52' ' ' LEU . 40.1 pt -137.76 167.21 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.049 0.452 . . . . 74.13 111.279 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 59.0 m -115.75 130.93 57.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.558 -0.746 . . . . 74.23 109.756 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.61 ' HB3' HG23 ' A' ' 112' ' ' ILE . 4.1 mm? -84.22 18.66 2.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.363 -0.381 . . . . 74.51 111.231 -175.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.2 m -84.43 -16.46 42.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.371 -0.377 . . . . 74.45 110.923 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.22 4.31 1.61 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.874 0.368 . . . . 74.42 111.586 178.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.641 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -74.2 139.56 44.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.318 -0.401 . . . . 65.43 111.144 178.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.7 t -97.15 115.22 36.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.199 -0.455 . . . . 72.41 110.612 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.434 HG22 ' HD2' ' A' ' 86' ' ' PHE . 41.8 mt -72.55 110.66 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 73.34 109.766 176.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.8 m -106.75 111.8 63.73 Favored Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 120.869 -0.332 . . . . 75.51 111.274 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.3 113.12 2.12 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.133 1.889 . . . . 74.31 109.814 171.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.927 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 6.9 t60 -63.08 137.52 58.27 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.681 -0.407 . . . . 64.32 109.949 -175.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -63.64 -45.08 91.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.139 -0.482 . . . . 74.42 111.384 -169.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -81.81 -18.45 43.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.074 -0.512 . . . . 73.4 111.08 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.927 ' HB2' ' HB3' ' A' ' 79' ' ' HIS . 3.1 m-20 -114.2 115.12 26.96 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.783 0.661 . . . . 64.12 112.783 -166.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -80.84 -23.76 38.9 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.583 -0.735 . . . . 64.51 110.264 174.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.814 ' SG ' ' HA ' ' A' ' 102' ' ' PRO . 71.5 m -96.49 -6.25 37.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.036 -0.529 . . . . 61.53 111.084 -178.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.841 ' HD2' ' HB3' ' A' ' 96' ' ' TYR . 13.0 ttp180 -115.8 134.89 54.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.84 0.829 . . . . 74.02 112.275 -174.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.434 ' HD2' HG22 ' A' ' 76' ' ' ILE . 30.1 m-85 -129.94 116.69 18.99 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.157 -1.383 . . . . 74.53 108.831 176.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.553 ' HA ' ' O ' ' A' ' 95' ' ' TRP . 2.8 p-10 -91.71 113.32 25.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.034 0.921 . . . . 65.43 111.006 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.573 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 31.0 mm -83.17 102.33 9.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 114.533 -1.212 . . . . 74.53 109.878 -179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.0 t -100.21 117.19 33.92 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.99 0.424 . . . . 71.43 110.728 -176.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.8 HG22 HD22 ' A' ' 91' ' ' ASN . 11.0 p -150.82 130.1 3.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.886 -0.597 . . . . 65.32 110.015 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.8 HD22 HG22 ' A' ' 90' ' ' VAL . 39.3 m-80 56.72 31.02 18.61 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.387 0.514 . . . . 63.22 112.387 177.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.4 t70 72.19 19.36 4.51 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.858 0.837 . . . . 71.41 111.194 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.4 m -110.56 101.01 9.72 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.067 -0.716 . . . . 55.43 109.067 171.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.437 ' CG1' ' HB2' ' A' ' 87' ' ' ASP . 38.7 t -96.47 116.38 38.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.131 -0.486 . . . . 63.21 110.355 -178.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.585 ' CZ3' ' HB3' ' A' ' 54' ' ' TYR . 28.1 m95 -104.57 98.66 8.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.133 -0.485 . . . . 74.25 111.036 -175.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.841 ' HB3' ' HD2' ' A' ' 85' ' ' ARG . 57.1 m-85 -75.82 78.25 2.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.29 -0.414 . . . . 72.34 110.965 -178.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 85' ' ' ARG . 86.9 mt -80.14 145.04 32.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.304 -0.258 . . . . 73.35 110.304 -177.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.722 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 5.7 mtm180 -131.17 145.56 52.0 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.306 -0.257 . . . . 65.13 110.306 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.04 172.7 12.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.03 -0.532 . . . . 41.13 110.646 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.416 HE21 ' HB2' ' A' ' 100' ' ' GLN . 1.5 mp0 -86.59 -5.98 59.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.082 0.468 . . . . 74.1 111.095 -176.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.871 ' HB2' ' HD2' ' A' ' 102' ' ' PRO . 6.2 p-10 -154.91 176.62 2.41 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.07 -0.514 . . . . 74.44 109.78 -175.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.871 ' HD2' ' HB2' ' A' ' 101' ' ' ASP . 39.6 Cg_endo -68.07 21.4 0.13 Allowed 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.702 2.268 . . . . 64.11 114.038 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.532 ' CG ' ' H ' ' A' ' 104' ' ' HIS . 47.1 t0 -165.75 -164.78 0.75 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.901 -0.778 . . . . 61.44 108.901 176.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.59 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 68.7 m80 68.74 25.0 6.47 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 123.011 0.524 . . . . 64.2 110.541 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -19.72 62.48 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.564 0.697 . . . . 75.55 109.693 175.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -54.16 -17.1 2.46 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 114.935 -1.029 . . . . 75.33 112.212 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 16.5 mm100 -53.25 -45.42 68.79 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 110.247 -0.279 . . . . 73.33 110.247 177.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.513 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 14.1 m95 -70.07 -41.81 73.63 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.501 -0.555 . . . . 73.34 109.501 -175.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.2 mm -60.74 -60.99 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.112 -0.949 . . . . 70.24 110.245 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.81 -42.25 88.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.922 -0.581 . . . . 63.31 111.361 -176.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.65 -57.68 11.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.063 0.458 . . . . 71.23 110.878 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.61 HG23 ' HB3' ' A' ' 71' ' ' LEU . 56.9 mt -66.42 -44.09 90.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.34 -0.391 . . . . 75.02 110.299 -175.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.06 -42.14 76.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.026 0.441 . . . . 71.01 111.803 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -83.43 -21.67 32.89 Favored 'General case' 0 C--N 1.314 -0.961 0 C-N-CA 120.855 -0.338 . . . . 71.22 111.636 -177.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 77.8 m-70 -94.36 -27.74 15.91 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.381 0.882 . . . . 72.34 113.381 -179.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.49 151.03 33.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.235 0.54 . . . . 73.42 111.224 -175.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 35.8 p . . . . . 0 C--O 1.249 1.075 0 CA-C-N 115.326 -0.852 . . . . 64.44 110.339 -176.09 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.405 HG11 ' HB3' ' A' ' 27' ' ' CYS . 46.9 t . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 109.748 -0.464 . . . . 61.41 109.748 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.37 -58.34 3.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.197 0.522 . . . . 75.41 109.785 -176.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.691 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 8.6 tpm_? -136.46 120.82 18.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.007 -0.542 . . . . 73.13 110.861 174.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.494 ' HB2' ' CZ2' ' A' ' 44' ' ' TRP . 7.2 p -126.38 120.73 30.59 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.558 -0.746 . . . . 61.23 109.107 170.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.49 171.06 41.98 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.488 -0.863 . . . . 41.33 111.959 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.02 152.64 3.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.32 0.581 . . . . 75.14 111.374 178.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.662 HD11 ' O ' ' A' ' 96' ' ' TYR . 33.7 tp -122.51 109.94 14.97 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 114.934 -1.03 . . . . 71.32 109.658 178.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 m -80.74 108.91 14.79 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.756 -0.656 . . . . 75.22 110.191 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.503 ' HE3' ' CZ3' ' A' ' 33' ' ' TRP . 34.1 tptt -170.51 170.42 6.9 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.564 -0.532 . . . . 71.22 109.564 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.59 ' HB3' ' HD1' ' A' ' 40' ' ' TRP . 7.9 p90 -68.87 138.4 54.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.124 0.488 . . . . 72.34 111.16 -177.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 t -121.82 -15.65 7.83 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.279 -1.008 . . . . 73.44 108.279 169.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.814 ' HB2' ' HB2' ' A' ' 38' ' ' HIS . 15.7 m120 -149.85 -167.09 2.73 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.488 -1.233 . . . . 74.43 108.115 177.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -115.26 -58.15 2.17 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.871 -0.331 . . . . 72.53 110.671 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 51.6 mt -70.0 -27.0 31.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.44 0.638 . . . . 72.21 109.746 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.814 ' HB2' ' HB2' ' A' ' 35' ' ' ASN . 55.7 m-70 -76.34 -26.24 55.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.564 -0.744 . . . . 64.44 109.723 176.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.28 -157.57 30.58 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.729 -0.669 . . . . 61.33 113.019 177.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.59 ' HD1' ' HB3' ' A' ' 33' ' ' TRP . 2.7 m-90 -89.12 124.46 34.34 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.384 -0.598 . . . . 74.12 109.384 178.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -107.88 156.71 18.88 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.858 0.361 . . . . 75.13 110.804 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -95.21 97.26 9.76 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.491 -0.929 . . . . 61.44 108.491 171.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.797 ' HD2' ' CE2' ' A' ' 54' ' ' TYR . 20.3 ptt180 -101.45 151.03 22.43 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.01 -0.541 . . . . 74.41 110.384 -174.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.783 ' HB2' ' HA ' ' A' ' 58' ' ' GLU . 63.2 t-105 -85.42 130.89 34.48 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.483 -0.487 . . . . 75.4 110.489 -169.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.675 HG22 ' HB2' ' A' ' 54' ' ' TYR . 60.8 t -127.81 130.64 70.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.155 0.503 . . . . 75.21 110.919 -177.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.463 ' O ' HD12 ' A' ' 52' ' ' LEU . 25.4 t -126.06 128.85 72.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.399 -0.819 . . . . 73.24 111.169 -178.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.8 tt -112.14 123.36 50.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.893 -0.78 . . . . 55.34 108.893 175.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -166.3 140.99 4.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.7 -0.227 . . . . 53.44 110.893 -176.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 58.92 29.11 18.48 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.24 -0.436 . . . . 74.44 111.833 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.708 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 3.0 t-20 72.29 4.06 4.88 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.784 -0.644 . . . . 70.41 110.65 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -107.8 140.23 41.19 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.961 -0.563 . . . . 53.35 109.619 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.722 ' HB2' HD21 ' A' ' 71' ' ' LEU . 29.5 tp -111.81 132.71 54.5 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.882 -0.785 . . . . 73.41 108.882 177.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.564 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 30.3 m -140.7 136.13 32.29 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.841 -0.429 . . . . 63.23 109.841 -177.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.797 ' CE2' ' HD2' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -130.38 157.53 42.34 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.438 -0.505 . . . . 75.3 110.901 -177.777 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.514 ' CD1' ' HD1' ' A' ' 44' ' ' TRP . 3.7 m-85 -129.48 154.76 46.68 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.325 -0.991 . . . . 73.53 108.325 -174.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -36.47 55.27 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.451 0.538 . . . . 74.34 112.451 -174.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.478 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 33.4 t -146.92 166.62 26.22 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.406 -0.59 . . . . 55.1 109.406 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.783 ' HA ' ' HB2' ' A' ' 44' ' ' TRP . 34.7 tt0 -58.86 -25.29 63.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.134 0.492 . . . . 51.05 111.363 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.711 ' HB2' ' HE2' ' A' ' 63' ' ' TYR . 2.2 m-20 -58.07 -26.71 62.88 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.777 -0.647 . . . . 63.41 110.673 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 48.77 -53.48 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 116.671 2.101 . . . . 74.22 116.671 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.49 HG23 ' H ' ' A' ' 62' ' ' GLU . 3.8 t -40.79 -62.29 0.82 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.145 1.165 . . . . 73.23 114.145 -170.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.49 ' H ' HG23 ' A' ' 61' ' ' THR . 9.2 pt-20 -90.54 5.39 47.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.071 0.462 . . . . 64.32 111.522 -173.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.711 ' HE2' ' HB2' ' A' ' 59' ' ' ASP . 61.3 m-85 -98.67 -28.85 13.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.283 -0.417 . . . . 63.52 110.497 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.25 165.23 7.82 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.947 -0.644 . . . . 62.12 112.915 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 p -73.56 91.33 1.82 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.794 0.807 . . . . 55.42 110.798 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -69.02 -46.09 68.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.85 -1.068 . . . . 75.11 110.082 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.564 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -112.0 141.22 16.59 Favored Glycine 0 N--CA 1.439 -1.134 0 CA-C-N 115.124 -0.943 . . . . 74.51 111.09 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 2.8 p -152.13 114.23 4.46 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.893 0.378 . . . . 75.21 110.483 -179.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.559 ' HB ' HG11 ' A' ' 90' ' ' VAL . 36.6 pt -134.33 165.25 32.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.074 -0.512 . . . . 63.23 110.815 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 7.8 p -108.97 130.69 55.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.567 -0.742 . . . . 62.35 109.973 176.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.722 HD21 ' HB2' ' A' ' 52' ' ' LEU . 3.9 mm? -83.86 9.44 12.07 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.156 -0.474 . . . . 53.34 110.512 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -62.41 -43.59 98.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.782 -0.645 . . . . 71.2 111.319 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.49 22.08 4.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.216 0.531 . . . . 51.24 110.577 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.455 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -74.76 132.12 41.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.719 -0.673 . . . . 41.41 110.268 174.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.0 t -90.31 124.04 42.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.548 -0.297 . . . . 74.13 110.647 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 53.7 mt -86.0 95.82 4.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.189 -0.459 . . . . 74.15 110.242 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.736 ' HB ' ' HB2' ' A' ' 87' ' ' ASP . 14.7 m -89.35 120.74 69.73 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.148 -0.478 . . . . 74.42 110.645 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.476 ' HA ' ' CD1' ' A' ' 86' ' ' PHE . 43.9 Cg_endo -70.32 118.91 5.96 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 121.807 1.672 . . . . 73.54 111.154 174.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.962 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 6.1 t60 -63.34 144.62 56.8 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 120.021 -0.672 . . . . 74.5 110.139 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.76 -69.88 0.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.491 -0.777 . . . . 64.34 111.763 -170.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -83.35 -16.27 46.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.108 0.48 . . . . 74.2 110.757 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.962 ' HB2' ' HB3' ' A' ' 79' ' ' HIS . 6.0 m-20 -83.78 149.46 26.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.278 0.561 . . . . 65.34 111.592 -176.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -118.39 -23.18 7.31 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.186 -0.916 . . . . 65.34 109.584 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 36.5 m -100.85 -8.63 22.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.801 -0.636 . . . . 73.31 110.703 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.479 ' HB3' ' CB ' ' A' ' 82' ' ' ASP . 37.4 ttm180 -103.31 149.3 24.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.364 0.602 . . . . 73.14 111.82 -174.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.488 ' CE2' ' HB3' ' A' ' 105' ' ' ARG . 0.4 OUTLIER -142.4 123.92 14.9 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.832 -1.077 . . . . 73.45 108.964 178.257 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.736 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 1.9 m-20 -88.55 101.48 13.98 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.904 -0.589 . . . . 61.23 110.198 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.737 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 35.4 mm -82.3 100.93 6.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.974 -0.557 . . . . 70.45 110.131 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.0 p -105.75 112.5 25.59 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.323 0.583 . . . . 74.02 111.741 -173.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.559 HG11 ' HB ' ' A' ' 69' ' ' ILE . 13.7 p -143.64 129.63 16.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.88 -0.6 . . . . 74.21 110.403 178.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.503 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 67.1 m-80 53.96 40.2 31.33 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.455 -0.339 . . . . 74.24 111.262 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.503 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 21.3 t70 75.88 -11.04 1.18 Allowed 'General case' 0 C--N 1.319 -0.748 0 O-C-N 123.676 0.61 . . . . 71.34 111.958 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.3 m -85.21 108.89 17.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.964 -0.384 . . . . 73.33 109.964 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 40.6 t -102.81 120.17 52.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.095 0.474 . . . . 73.31 110.476 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.737 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 25.2 m95 -104.63 110.02 22.16 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.83 -0.623 . . . . 70.44 110.301 -176.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.662 ' O ' HD11 ' A' ' 30' ' ' LEU . 7.1 m-85 -81.28 71.75 8.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.083 -0.508 . . . . 71.13 110.297 -177.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.653 HD13 HD13 ' A' ' 30' ' ' LEU . 2.9 mm? -77.93 155.1 31.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.034 0.445 . . . . 53.43 111.475 -174.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -134.52 146.95 50.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.007 -0.542 . . . . 61.21 110.005 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.62 163.21 12.75 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.228 -0.442 . . . . 63.34 109.916 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.507 ' H ' ' NE2' ' A' ' 100' ' ' GLN . 0.2 OUTLIER -79.72 -9.13 59.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.346 0.593 . . . . 75.01 109.541 179.76 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.551 ' HB3' ' HB2' ' A' ' 104' ' ' HIS . 20.0 t70 -138.29 136.48 19.34 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.031 -0.986 . . . . 74.23 109.759 -175.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -24.66 29.29 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 54.04 113.218 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -95.11 -35.49 11.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.81 0.338 . . . . 74.44 111.113 -176.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.551 ' HB2' ' HB3' ' A' ' 101' ' ' ASP . 58.0 m80 -76.78 77.35 3.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.433 0.635 . . . . 74.1 110.782 -178.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.488 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . 14.0 mmm180 -83.24 -21.94 33.22 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 107.499 -1.297 . . . . 70.33 107.499 173.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -68.7 -6.4 26.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 113.247 -1.797 . . . . 53.51 112.417 -168.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -49.86 -54.92 16.47 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 108.385 -0.969 . . . . 73.12 108.385 168.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.691 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 22.2 m95 -76.33 -45.16 33.52 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.43 -1.259 . . . . 75.3 109.544 -172.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 27.9 mm -56.09 -56.24 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.445 -0.798 . . . . 62.14 110.285 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.53 -52.09 66.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.998 -0.546 . . . . 70.25 111.068 -178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.77 -54.91 31.51 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 121.483 0.659 . . . . 71.34 111.384 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.706 HG23 ' HB3' ' A' ' 71' ' ' LEU . 60.3 mt -66.92 -51.83 50.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.924 -0.58 . . . . 73.15 111.447 -175.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.599 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 75.1 mm-40 -59.03 -30.3 67.92 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.617 0.246 . . . . 73.52 111.543 -176.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -81.37 -29.93 33.88 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.75 -0.38 . . . . 70.55 111.438 176.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.708 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 22.6 m-70 -94.6 -16.06 23.53 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 115.477 1.658 . . . . 74.22 115.477 -174.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.684 ' HG3' ' O ' ' A' ' 112' ' ' ILE . 30.0 mtmt -44.05 126.11 4.75 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 113.341 0.867 . . . . 61.3 113.341 -171.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.232 -0.895 . . . . 73.02 110.295 -179.76 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.623 0.249 . . . . 74.23 110.425 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.856 ' HG2' ' HA ' ' A' ' 48' ' ' LYS . 4.0 mm-40 -95.55 -55.08 3.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.071 0.462 . . . . 75.23 110.111 -177.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.572 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . 2.3 tpt180 -121.94 137.6 54.73 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.86 -0.609 . . . . 72.14 110.075 178.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.8 p -147.18 109.2 4.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.82 -0.437 . . . . 72.53 109.82 174.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -169.42 172.59 43.57 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.413 -0.898 . . . . 62.11 112.305 -178.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.497 HG13 ' HE3' ' A' ' 44' ' ' TRP . 1.1 m -89.74 150.41 3.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.461 0.648 . . . . 63.44 112.011 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.6 tp -125.48 123.06 38.37 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.016 -0.993 . . . . 64.31 109.514 176.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.8 m -87.64 105.25 17.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.02 0.438 . . . . 62.33 110.564 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -131.71 125.24 31.55 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.955 -0.566 . . . . 62.44 109.6 178.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 1.036 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 7.8 p90 -69.99 147.79 49.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.843 0.354 . . . . 72.41 110.309 -178.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 t -144.14 -169.87 3.22 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.297 -0.631 . . . . 62.51 109.297 -176.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -101.7 91.23 4.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.517 0.675 . . . . 75.35 109.903 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -169.2 147.88 3.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.673 -1.149 . . . . 64.41 108.304 -173.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 63.1 mt -70.45 82.68 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.769 0.795 . . . . 74.11 110.473 178.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -179.12 -20.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.259 -1.337 . . . . 55.42 108.542 178.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.66 -96.46 2.21 Favored Glycine 0 C--N 1.334 0.459 0 CA-C-N 115.561 -0.745 . . . . 54.44 111.535 179.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 1.036 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 28.3 p90 -86.8 154.63 20.76 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.377 -0.601 . . . . 75.32 109.377 176.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.403 HE21 ' HB2' ' A' ' 41' ' ' GLN . 2.8 pt20 -123.59 146.41 48.18 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.415 -0.587 . . . . 52.42 109.415 172.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -103.54 110.82 23.01 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.565 -0.743 . . . . 72.12 109.542 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -108.41 146.93 32.33 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.255 -0.884 . . . . 55.11 109.865 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.497 ' HE3' HG13 ' A' ' 29' ' ' VAL . 69.5 t-105 -93.98 113.1 25.03 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.681 -0.407 . . . . 74.45 109.983 -176.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.2 m -105.08 140.5 22.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.461 0.648 . . . . 74.22 110.654 -176.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.549 HG12 ' HD2' ' A' ' 48' ' ' LYS . 25.2 t -132.37 117.87 33.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 114.976 -1.011 . . . . 62.34 110.576 -178.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.572 ' HB3' ' HB3' ' A' ' 26' ' ' ARG . 3.2 tm? -103.31 127.36 50.67 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.297 -1.001 . . . . 54.23 108.297 177.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.856 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -171.06 162.02 6.99 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 109.81 -0.441 . . . . 60.41 109.81 177.038 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 53.15 -148.23 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.121 -1.437 . . . . 74.12 107.121 -168.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -98.68 34.04 2.14 Favored 'General case' 0 C--N 1.307 -1.251 0 C-N-CA 119.651 -0.82 . . . . 41.22 109.135 171.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.83 154.39 49.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.468 0.651 . . . . 71.43 111.855 -175.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.447 HD13 HD23 ' A' ' 47' ' ' LEU . 61.9 tp -127.05 132.99 50.56 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.554 -0.748 . . . . 74.12 109.278 176.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 5.0 m -131.64 163.35 28.3 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.178 -0.465 . . . . 71.45 109.904 -176.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.44 ' HD1' ' CH2' ' A' ' 95' ' ' TRP . 2.7 p90 -147.65 155.9 42.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.034 0.445 . . . . 74.44 110.213 172.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -131.9 168.96 16.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.407 -0.815 . . . . 75.15 108.935 -174.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -62.87 -41.84 99.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.491 -0.322 . . . . 73.41 111.188 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.583 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 23.8 m -152.51 178.15 9.88 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.919 -0.4 . . . . 43.24 109.919 179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.98 -27.85 69.41 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.432 0.53 . . . . 74.22 112.432 -173.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.625 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 30.1 t70 -53.02 -34.97 58.8 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 110.46 -0.2 . . . . 75.24 110.46 178.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? 50.48 -42.95 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 116.933 2.197 . . . . 73.53 116.933 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 t -54.96 -52.12 64.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.855 0.752 . . . . 75.13 112.616 -173.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.483 ' HG2' ' OD2' ' A' ' 59' ' ' ASP . 7.2 pt-20 -90.3 2.36 55.57 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.429 -0.508 . . . . 72.43 111.171 -177.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.625 ' CE2' ' HB3' ' A' ' 59' ' ' ASP . 38.4 m-85 -99.22 -30.68 12.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.551 -0.295 . . . . 63.54 110.697 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.18 155.31 3.96 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.887 -0.597 . . . . 63.34 112.486 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.6 p -67.69 102.83 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.503 0.668 . . . . 71.23 110.019 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.429 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 13.8 mmt180 -77.8 -19.48 54.94 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.177 -0.92 . . . . 74.13 110.769 -175.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -157.81 129.62 2.38 Favored Glycine 0 N--CA 1.438 -1.169 0 N-CA-C 110.175 -1.17 . . . . 62.32 110.175 175.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 8.3 t -141.6 124.82 16.42 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.679 -0.489 . . . . 73.21 109.679 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.625 ' HB ' HG11 ' A' ' 90' ' ' VAL . 34.2 pt -127.12 153.89 36.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.115 -0.493 . . . . 44.23 111.309 -176.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 63.4 m -98.47 123.44 42.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.952 -0.567 . . . . 75.42 110.039 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.564 ' HB3' HG23 ' A' ' 112' ' ' ILE . 4.2 mm? -75.53 0.57 16.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.113 -0.494 . . . . 74.14 111.937 -175.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.6 m -68.44 -37.57 80.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.889 0.376 . . . . 73.13 110.561 178.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.88 14.74 14.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 73.51 111.135 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' ' 71' ' ' LEU . . . -90.25 125.57 35.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.97 0.414 . . . . 61.33 110.728 -178.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 45.6 t -89.59 116.7 31.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.922 -0.581 . . . . 72.21 110.438 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 54.3 mt -82.92 101.57 7.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.806 -0.634 . . . . 74.33 109.952 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.1 m -103.18 104.14 38.78 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 116.323 -0.398 . . . . 54.03 110.309 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -64.67 141.61 73.39 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.314 2.009 . . . . 73.45 111.836 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.717 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 10.6 t60 -77.7 145.74 36.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.741 -0.837 . . . . 73.12 108.741 176.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -83.25 -54.3 5.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.732 0.301 . . . . 71.11 110.669 -174.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -60.83 -40.86 94.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.072 0.463 . . . . 44.55 110.426 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.717 ' H ' ' HD2' ' A' ' 79' ' ' HIS . 36.2 m-20 -106.74 106.71 17.37 Favored 'General case' 0 CA--C 1.507 -0.709 0 CA-C-N 116.04 -0.527 . . . . 74.41 110.249 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -70.43 -22.11 62.75 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.044 0.449 . . . . 74.11 110.33 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 63.8 m -87.18 -12.15 47.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.889 -0.596 . . . . 63.23 111.227 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 35.5 ttm-85 -95.26 138.17 33.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.948 0.404 . . . . 71.24 110.493 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -135.44 119.27 17.28 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.921 -0.581 . . . . 61.54 110.292 -176.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -89.69 118.41 29.28 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.598 -0.728 . . . . 64.45 109.775 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.862 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 26.3 mm -102.84 105.47 18.25 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 115.912 -0.585 . . . . 54.13 110.448 -176.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.4 p -110.03 126.3 53.83 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.334 0.588 . . . . 74.11 111.058 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.625 HG11 ' HB ' ' A' ' 69' ' ' ILE . 4.9 p -147.48 116.39 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.744 -0.662 . . . . 72.43 110.697 -176.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.555 HD22 HG22 ' A' ' 90' ' ' VAL . 50.4 m-80 63.61 -75.95 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.681 -0.691 . . . . 61.12 110.912 -175.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -136.88 -28.29 0.97 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.936 -1.029 . . . . 72.25 109.881 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.0 m -75.48 134.98 40.7 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.542 -0.754 . . . . 42.11 110.896 -172.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 77.3 t -123.72 117.2 50.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.583 -0.735 . . . . 64.24 109.793 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.862 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 17.6 m95 -109.93 101.91 10.71 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.962 -0.563 . . . . 72.44 110.685 -175.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -76.07 80.02 2.91 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.268 -0.641 . . . . 74.34 109.268 175.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 27.3 tp -93.67 169.48 10.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.163 -0.471 . . . . 54.02 109.745 -173.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -153.0 143.59 22.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.025 0.441 . . . . 55.25 110.479 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.09 170.38 16.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.739 -0.664 . . . . 61.51 110.127 175.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -100.86 -23.69 14.52 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.74 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -144.37 137.86 14.24 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.941 -0.572 . . . . 75.45 109.907 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.17 -37.14 43.23 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 123.025 2.483 . . . . 64.43 112.876 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -66.34 -34.87 78.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.615 -0.266 . . . . 73.53 110.994 -176.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -122.82 68.48 0.97 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.773 0.797 . . . . 63.25 111.542 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -81.66 -18.16 45.51 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 107.797 -1.186 . . . . 62.54 107.797 168.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -56.83 -3.15 0.1 Allowed 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 113.253 -1.794 . . . . 75.41 112.097 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -45.48 -52.68 9.92 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 108.662 -0.866 . . . . 73.14 108.662 167.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.544 ' CH2' ' HD3' ' A' ' 26' ' ' ARG . 11.4 m95 -71.48 -50.42 31.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.045 -0.98 . . . . 72.24 109.949 -176.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.7 mm -57.0 -58.05 7.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.571 -0.741 . . . . 61.43 110.912 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -63.44 -44.88 93.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.803 -0.635 . . . . 64.51 111.428 -176.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.74 -56.29 24.08 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.213 0.53 . . . . 35.41 110.645 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.564 HG23 ' HB3' ' A' ' 71' ' ' LEU . 45.5 mt -65.69 -45.77 91.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.997 -0.547 . . . . 52.21 111.16 -175.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.509 ' HA ' ' OE1' ' A' ' 113' ' ' GLU . 3.9 mm-40 -58.78 -43.07 90.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.82 0.343 . . . . 62.11 111.653 178.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -78.03 -15.23 59.1 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 120.47 -0.492 . . . . 63.42 111.561 -178.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.439 ' HE2' ' CD ' ' A' ' 25' ' ' GLU . 25.0 m-70 -104.9 -14.7 15.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 114.182 1.178 . . . . 75.22 114.182 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.467 ' HD2' ' C ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -72.58 156.61 38.81 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.061 0.457 . . . . 74.34 110.952 -175.55 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 56.6 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.665 -0.683 . . . . 63.25 110.434 -176.223 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.703 HG12 ' HD2' ' A' ' 48' ' ' LYS . 22.3 m . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 110.392 -0.225 . . . . 72.51 110.392 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -85.76 -46.44 10.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.377 0.608 . . . . 61.21 109.952 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.415 ' HA ' ' HE ' ' A' ' 26' ' ' ARG . 3.1 tpm_? -140.16 122.24 15.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.378 -0.828 . . . . 73.13 110.025 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.9 p -135.15 105.29 6.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.976 -0.556 . . . . 75.03 109.641 174.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.3 177.5 39.25 Favored Glycine 0 CA--C 1.506 -0.519 0 C-N-CA 120.122 -1.037 . . . . 75.11 111.972 -176.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.478 ' HA ' ' O ' ' A' ' 43' ' ' ARG . 27.8 m -91.1 143.24 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-O 121.735 0.778 . . . . 72.32 111.657 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.59 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 60.3 tp -112.64 114.81 27.6 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.802 -1.09 . . . . 71.14 109.029 174.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.52 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 49.0 p -84.2 108.13 16.91 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.025 -0.534 . . . . 75.35 109.669 174.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.432 ' NZ ' ' HB2' ' A' ' 96' ' ' TYR . 10.8 tptm -144.72 149.29 35.33 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.878 -0.329 . . . . 74.45 110.316 177.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.56 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 20.1 p90 -68.5 156.83 37.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.089 -0.505 . . . . 75.01 112.104 -173.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.8 t 179.73 -36.57 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.407 -0.815 . . . . 75.15 110.474 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.541 ' OD1' HG13 ' A' ' 37' ' ' ILE . 35.0 t-20 -130.35 129.01 42.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.905 -0.776 . . . . 73.14 108.905 178.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -85.42 -7.0 59.17 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.765 0.654 . . . . 74.44 112.765 -166.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.541 HG13 ' OD1' ' A' ' 35' ' ' ASN . 2.4 pp -74.32 1.1 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 121.797 0.808 . . . . 74.44 110.403 174.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -141.23 -33.02 0.53 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.797 -1.092 . . . . 72.35 109.039 174.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.553 ' O ' ' HA ' ' A' ' 33' ' ' TRP . . . 93.39 -83.82 1.07 Allowed Glycine 0 N--CA 1.441 -0.988 0 N-CA-C 109.968 -1.253 . . . . 72.44 109.968 -174.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.56 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 8.8 m95 -101.99 123.64 46.24 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.32 -0.622 . . . . 64.41 109.32 177.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.52 ' O ' ' HA ' ' A' ' 31' ' ' SER . 1.1 pt20 -97.17 154.95 17.06 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.555 -0.535 . . . . 73.24 109.555 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -97.93 124.4 42.35 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.469 0.652 . . . . 72.2 109.628 174.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' A' ' 30' ' ' LEU . 15.5 ptp180 -124.21 153.83 41.04 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.266 -0.879 . . . . 62.11 109.268 -178.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -89.82 130.3 36.08 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.097 -0.641 . . . . 72.41 109.421 -177.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.588 HG22 ' HB2' ' A' ' 54' ' ' TYR . 54.2 t -127.53 129.25 70.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 120.959 0.409 . . . . 75.33 110.904 -177.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.465 ' O ' HD12 ' A' ' 52' ' ' LEU . 46.4 t -124.39 126.8 72.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.371 -0.831 . . . . 44.13 111.099 -178.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.7 tt -114.03 118.44 34.11 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.682 -0.859 . . . . 65.23 108.682 174.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.703 ' HD2' HG12 ' A' ' 24' ' ' VAL . 73.4 tttt -168.53 149.3 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.631 -0.259 . . . . 64.15 110.667 -174.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 58.34 30.35 19.45 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.163 0.431 . . . . 74.3 112.163 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.616 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 3.4 t-20 66.29 15.8 10.22 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.696 0.76 . . . . 63.45 110.443 -178.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.44 152.85 37.4 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.64 -0.709 . . . . 73.45 109.716 177.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 46' ' ' VAL . 31.8 tp -123.29 131.08 53.54 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 108.812 -0.81 . . . . 34.22 108.812 175.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -142.89 134.81 26.95 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 109.615 -0.513 . . . . 75.42 109.615 -175.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.588 ' HB2' HG22 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -129.36 150.4 50.73 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.398 0.618 . . . . 73.53 110.805 -177.677 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -135.39 -174.02 3.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.1 -0.955 . . . . 64.25 109.543 -173.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -73.76 -51.89 15.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.93 -0.577 . . . . 73.34 110.098 173.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.67 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 16.4 m -142.85 -178.06 5.63 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.495 -0.187 . . . . 61.32 110.495 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -70.37 -25.82 63.43 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 122.469 0.308 . . . . 74.21 111.409 -175.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -75.61 49.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.455 0.645 . . . . 75.44 110.006 173.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.552 ' HA ' ' HB2' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -54.57 -8.52 0.24 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 114.47 1.285 . . . . 71.15 114.47 -175.392 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.0 t -67.66 -31.44 71.44 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.464 -0.494 . . . . 75.4 110.638 177.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -101.93 -1.62 31.57 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.056 0.455 . . . . 64.11 110.321 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.67 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 41.8 m-85 -110.05 -10.03 14.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.994 -0.548 . . . . 65.13 110.568 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.84 -102.89 1.19 Allowed Glycine 0 C--N 1.335 0.499 0 CA-C-N 115.639 -0.71 . . . . 60.24 112.283 170.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 51.0 t -169.84 117.81 0.59 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.722 -0.844 . . . . 63.24 108.722 175.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.432 ' HA ' ' HD3' ' A' ' 66' ' ' ARG . 25.0 mmt85 -90.25 -15.2 31.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.059 -0.519 . . . . 75.15 110.336 -175.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.89 132.1 2.12 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.447 -0.797 . . . . 51.43 111.354 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.9 p -142.44 120.25 11.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.868 0.366 . . . . 73.34 110.885 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.567 ' HB ' HG11 ' A' ' 90' ' ' VAL . 24.8 pt -128.31 152.99 37.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.177 -0.465 . . . . 63.02 111.536 -178.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 85.1 m -98.95 122.25 41.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.768 -0.651 . . . . 62.05 109.941 175.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.995 HD23 HG12 ' A' ' 112' ' ' ILE . 5.1 mp -74.75 1.61 12.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.766 -0.652 . . . . 64.12 111.639 -174.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.8 t -79.89 -36.17 36.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.234 -0.439 . . . . 74.22 110.247 176.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.489 ' HB2' HG23 ' A' ' 90' ' ' VAL . 2.0 mmmm -92.51 -20.17 21.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.207 0.527 . . . . 64.04 109.982 -179.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.761 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -70.56 138.64 51.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.47 -0.786 . . . . 45.42 112.194 -172.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.4 t -97.66 132.33 42.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.521 -0.763 . . . . 53.3 109.333 175.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.458 HG22 ' HD3' ' A' ' 78' ' ' PRO . 21.4 mt -85.84 121.06 36.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.248 0.547 . . . . 53.24 111.242 -178.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.855 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 51.0 m -116.52 95.94 46.94 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.524 -0.762 . . . . 74.52 110.336 175.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.458 ' HD3' HG22 ' A' ' 76' ' ' ILE . 50.7 Cg_endo -70.66 125.98 12.24 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 121.776 1.651 . . . . 72.23 110.516 175.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.554 ' HB2' ' HG2' ' A' ' 85' ' ' ARG . 20.1 t60 -62.47 140.72 58.6 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.141 -0.624 . . . . 63.42 109.798 -179.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -78.32 -60.65 2.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.073 -0.512 . . . . 65.12 111.673 -174.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -64.87 -20.72 66.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.571 -0.286 . . . . 74.42 111.735 -177.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.605 ' HB3' ' HB3' ' A' ' 85' ' ' ARG . 9.9 t70 -109.95 145.41 36.97 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.29 -0.564 . . . . 71.02 110.567 -177.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -92.21 -6.73 50.02 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.988 -0.551 . . . . 73.42 111.777 -173.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.58 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 59.2 m -138.48 -17.19 1.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.916 0.709 . . . . 65.11 112.916 -178.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.605 ' HB3' ' HB3' ' A' ' 82' ' ' ASP . 0.8 OUTLIER -61.61 133.46 55.67 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.306 0.574 . . . . 74.43 109.852 175.314 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.509 ' HD1' ' HD2' ' A' ' 105' ' ' ARG . 55.3 t80 -135.65 124.0 23.3 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.266 -0.879 . . . . 75.23 110.432 -169.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.855 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 10.0 t70 -105.16 135.75 45.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.165 -0.471 . . . . 75.34 110.124 -177.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.463 HD11 ' HD2' ' A' ' 86' ' ' PHE . 3.7 mp -125.34 113.94 37.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.733 -0.667 . . . . 70.1 109.51 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.2 p -115.72 119.45 36.09 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.225 0.536 . . . . 53.4 112.017 -174.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.761 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 7.2 p -160.71 140.09 3.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 115.875 -0.602 . . . . 72.25 110.769 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.55 HD22 HG22 ' A' ' 90' ' ' VAL . 62.7 m-80 52.09 34.53 14.31 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.122 0.415 . . . . 75.11 112.122 -178.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.409 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 23.7 t70 74.55 -11.38 1.03 Allowed 'General case' 0 C--N 1.319 -0.731 0 O-C-N 123.68 0.613 . . . . 51.14 111.821 -176.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 19.7 m -81.25 108.79 15.18 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 109.71 -0.478 . . . . 72.5 109.71 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 42.5 t -104.25 114.03 42.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.939 -0.573 . . . . 71.12 109.956 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.439 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 14.2 m95 -99.54 132.55 44.8 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.499 -0.773 . . . . 74.45 110.222 -177.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.432 ' HB2' ' NZ ' ' A' ' 32' ' ' LYS . 2.2 m-85 -114.71 84.49 2.08 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.941 -0.304 . . . . 73.22 110.182 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.503 HD21 HG11 ' A' ' 45' ' ' VAL . 10.6 mp -95.99 -174.07 3.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.246 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 85' ' ' ARG . 22.8 ttt180 -157.25 143.11 17.64 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.383 -0.599 . . . . 62.23 109.383 177.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.587 ' CB ' ' HA ' ' A' ' 105' ' ' ARG . . . -80.76 -172.7 3.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.074 -0.512 . . . . 63.35 110.442 176.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.426 ' HG2' ' H ' ' A' ' 100' ' ' GLN . 47.5 mm-40 -43.96 -71.08 0.09 Allowed 'General case' 0 N--CA 1.464 0.261 0 O-C-N 124.128 0.893 . . . . 74.12 111.801 -175.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.731 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 30.3 t70 174.91 -56.34 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.413 0 O-C-N 123.602 0.564 . . . . 72.55 111.291 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 57.7 Cg_endo -97.1 95.97 0.08 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 122.453 2.102 . . . . 71.22 113.632 -177.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.3 t70 71.44 -42.94 0.55 Allowed 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.235 1.198 . . . . 73.43 114.235 169.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -70.78 68.09 0.4 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.728 0.64 . . . . 75.51 112.728 -172.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.587 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . 44.1 ttp180 -92.41 -11.42 34.88 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.167 -0.924 . . . . 72.11 108.523 171.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.508 ' HA ' HG12 ' A' ' 109' ' ' ILE . 15.5 pt20 -62.98 -8.22 6.81 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 114.479 -1.237 . . . . 74.22 111.59 -174.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -50.87 -46.11 60.23 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.105 0.478 . . . . 72.14 109.862 173.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.465 ' O ' HG13 ' A' ' 112' ' ' ILE . 11.0 m95 -73.13 -38.25 66.34 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.158 -0.682 . . . . 73.13 109.158 -177.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.508 HG12 ' HA ' ' A' ' 106' ' ' GLN . 36.5 mm -57.8 -58.35 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.628 -0.715 . . . . 73.1 109.893 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -55.55 -50.64 69.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.557 -0.292 . . . . 33.13 111.363 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.67 -56.62 17.24 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.265 0.555 . . . . 64.45 111.432 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.995 HG12 HD23 ' A' ' 71' ' ' LEU . 30.1 mt -68.51 -46.06 80.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.188 -0.46 . . . . 70.31 111.099 -175.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -55.61 -40.72 72.45 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.787 0.327 . . . . 62.02 111.45 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -81.04 -25.58 37.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.358 -0.383 . . . . 74.13 111.966 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.616 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 21.4 m-70 -93.44 -22.94 18.59 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.629 0.974 . . . . 73.3 113.629 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.33 164.9 23.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.108 0.48 . . . . 54.02 111.34 -175.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.5 p . . . . . 0 C--O 1.25 1.127 0 CA-C-N 115.752 -0.658 . . . . 74.43 110.548 -179.154 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.156 -0.313 . . . . 72.41 110.156 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -72.03 -45.77 59.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.231 0.539 . . . . 74.34 109.722 -177.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.673 ' HG2' ' CH2' ' A' ' 108' ' ' TRP . 3.4 tpm_? -159.76 128.09 4.93 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.477 -0.783 . . . . 75.32 109.699 179.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 p -142.19 114.01 8.01 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.568 -0.53 . . . . 42.35 109.568 174.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -165.33 173.82 41.12 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.246 -0.978 . . . . 75.24 112.258 -177.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 m -86.69 137.26 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.461 0.648 . . . . 71.44 110.932 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.422 HD11 ' O ' ' A' ' 96' ' ' TYR . 10.4 tt -117.53 121.29 40.59 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.116 -0.947 . . . . 61.51 108.986 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.442 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 17.6 m -92.54 108.19 19.79 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.096 0.474 . . . . 70.32 110.917 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.547 ' HE3' ' CZ3' ' A' ' 33' ' ' TRP . 43.7 tptt -149.01 163.17 38.3 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.358 -0.608 . . . . 73.15 109.358 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.547 ' CZ3' ' HE3' ' A' ' 32' ' ' LYS . 7.7 p90 -60.7 141.16 57.13 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.158 0.504 . . . . 72.22 111.862 -174.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.9 p -118.1 -22.21 7.9 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.581 -0.736 . . . . 50.2 111.368 175.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -127.96 -77.7 0.57 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.411 -0.358 . . . . 52.2 110.087 -174.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -103.48 173.96 6.08 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.843 -0.799 . . . . 61.53 108.843 173.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.9 mm -61.82 -37.67 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.806 -0.813 . . . . 53.44 108.806 173.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -87.2 82.26 7.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.345 -0.843 . . . . 73.14 109.444 171.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 33' ' ' TRP . . . 166.62 68.52 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.639 -0.71 . . . . 45.21 111.634 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 26.9 p90 -89.09 117.04 27.8 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.31 0.576 . . . . 71.01 110.739 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.442 ' O ' ' HA ' ' A' ' 31' ' ' SER . 59.3 tp60 -102.5 162.01 13.26 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.636 -0.711 . . . . 64.1 109.582 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 4.3 p-10 -95.2 125.23 39.7 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.487 -0.778 . . . . 73.21 109.564 177.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.462 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 17.5 ptt180 -127.5 141.77 51.57 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.688 -0.687 . . . . 70.24 109.821 178.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.543 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 72.1 t-105 -84.95 119.2 25.11 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.877 -0.329 . . . . 74.11 110.18 -173.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.601 HG12 ' HB2' ' A' ' 54' ' ' TYR . 21.9 m -115.39 139.73 40.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.891 0 CA-C-O 121.135 0.493 . . . . 72.51 110.29 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.457 HG13 ' HB2' ' A' ' 53' ' ' SER . 7.2 p -138.69 133.07 41.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.697 -0.683 . . . . 72.45 110.286 -177.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.3 tt -119.34 125.31 48.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.527 -0.546 . . . . 64.42 109.527 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -172.57 149.23 2.07 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.745 -0.465 . . . . 63.4 109.745 179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.6 m120 64.13 22.93 13.04 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.269 0.356 . . . . 72.12 110.865 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.839 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 16.4 t-20 68.49 11.48 8.36 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.999 0.904 . . . . 73.44 110.353 -178.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.54 137.73 47.86 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.359 -0.837 . . . . 60.4 109.795 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' ' 68' ' ' SER . 49.7 tp -110.48 135.42 51.18 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.44 -0.578 . . . . 75.23 109.44 177.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.457 ' HB2' HG13 ' A' ' 46' ' ' VAL . 72.6 m -135.52 147.52 48.84 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.095 -0.502 . . . . 75.12 110.406 -173.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.601 ' HB2' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -140.89 150.79 43.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.496 0.665 . . . . 65.24 111.177 175.373 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.498 ' CD1' ' HD1' ' A' ' 44' ' ' TRP . 10.5 m-85 -128.12 162.14 27.62 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 114.628 -1.169 . . . . 61.34 108.13 -177.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.518 ' HB2' ' CD1' ' A' ' 63' ' ' TYR . 2.3 mmmp? -59.54 -21.31 60.07 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.717 1.006 . . . . 73.11 113.717 -173.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.1 t -174.26 -175.09 0.95 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.243 -1.021 . . . . 70.03 108.243 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.42 -28.07 67.98 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.515 0.561 . . . . 63.11 112.515 -172.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.571 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 15.7 t70 -46.03 -43.87 14.78 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.24 0.337 . . . . 71.42 111.479 -178.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.548 ' HA ' ' HD2' ' A' ' 63' ' ' TYR . 8.0 pt-20 49.12 -36.08 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.608 1.963 . . . . 65.53 116.067 -175.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 p -63.61 -43.48 96.78 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.196 0.813 . . . . 71.2 113.196 -171.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.466 ' HG2' ' OD1' ' A' ' 59' ' ' ASP . 10.0 pt-20 -80.73 -15.17 57.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.311 0.577 . . . . 72.11 110.132 -177.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 59' ' ' ASP . 23.7 m-85 -86.77 -32.92 20.12 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.383 -0.826 . . . . 70.23 111.198 -173.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.437 ' O ' ' HE2' ' A' ' 55' ' ' TYR . . . 75.52 -70.31 1.94 Allowed Glycine 0 C--O 1.229 -0.188 0 C-N-CA 121.194 -0.527 . . . . 71.33 111.838 -178.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 21.7 p -175.14 127.85 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.772 -0.825 . . . . 74.23 108.772 173.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.482 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 14.9 mmt85 -111.57 -8.35 14.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.251 0.548 . . . . 62.13 110.848 -174.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.77 135.64 3.6 Favored Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.495 -1.042 . . . . 42.33 110.495 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 25.5 t -150.93 137.63 18.88 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 110.026 -0.361 . . . . 71.22 110.026 -178.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.536 ' HB ' HG11 ' A' ' 90' ' ' VAL . 20.2 pt -138.52 153.88 26.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.198 -0.456 . . . . 74.2 110.309 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 84.0 m -99.13 125.2 44.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.216 -0.447 . . . . 51.12 109.99 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.005 HD23 HG12 ' A' ' 112' ' ' ILE . 6.8 mp -83.14 27.7 0.55 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.952 -0.567 . . . . 74.14 111.023 -175.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.2 t -60.94 -60.46 3.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 74.33 110.305 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.27 19.31 9.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.325 -0.398 . . . . 74.2 110.668 178.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.46 110.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 72.22 109.884 176.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 50.5 t -70.94 120.89 19.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.0 -0.545 . . . . 70.23 110.879 -174.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.522 HD11 HD12 ' A' ' 112' ' ' ILE . 55.9 mt -82.24 110.11 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.954 -0.566 . . . . 44.24 109.753 176.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 1.056 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 1.1 m -93.9 103.78 11.28 Favored Pre-proline 0 C--N 1.313 -1.001 0 CA-C-N 115.923 -0.58 . . . . 62.22 109.698 176.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.52 ' HD3' ' O ' ' A' ' 76' ' ' ILE . 12.3 Cg_exo -70.46 111.36 2.93 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.408 2.072 . . . . 71.35 111.417 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.507 ' HB3' ' HB3' ' A' ' 85' ' ' ARG . 2.0 t60 -74.7 103.05 4.83 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.723 -0.843 . . . . 63.43 108.723 178.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -72.64 -45.43 59.02 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.359 -0.837 . . . . 72.05 111.37 -165.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -66.82 -24.42 66.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.796 -0.638 . . . . 73.34 110.573 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -86.21 -38.29 17.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.277 -0.419 . . . . 64.32 110.222 -177.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 75.54 -31.55 0.2 Allowed 'General case' 0 C--O 1.232 0.171 0 C-N-CA 124.258 1.023 . . . . 74.13 111.733 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 57.4 m -107.6 -13.28 15.09 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.249 -0.432 . . . . 73.11 111.238 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.507 ' HB3' ' HB3' ' A' ' 79' ' ' HIS . 15.4 ttm-85 -94.08 143.18 26.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.428 0.633 . . . . 55.42 111.821 -174.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.63 ' HE2' ' HB2' ' A' ' 105' ' ' ARG . 43.7 m-85 -133.77 127.33 32.51 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.967 -1.015 . . . . 73.52 109.915 177.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 1.056 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 11.6 t70 -94.93 136.07 35.69 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.662 -1.154 . . . . 54.14 109.88 -178.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.746 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 27.3 mm -114.48 106.5 20.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 110.177 -0.305 . . . . 74.11 110.177 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.3 p -114.14 111.11 21.05 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.584 0.707 . . . . 73.13 111.487 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.565 HG22 HD22 ' A' ' 91' ' ' ASN . 12.4 p -137.83 123.23 24.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.556 -0.747 . . . . 65.22 109.798 178.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.565 HD22 HG22 ' A' ' 90' ' ' VAL . 57.1 m-80 60.87 28.88 18.63 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.663 -0.244 . . . . 60.24 111.193 -178.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.9 t70 75.42 -6.55 1.95 Allowed 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.717 0.635 . . . . 73.31 111.659 -175.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.9 m -74.87 112.92 11.57 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.008 -0.738 . . . . 74.3 109.008 173.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.5 t -107.43 124.78 63.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.014 0.435 . . . . 62.24 111.501 -172.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.746 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 24.7 m95 -116.75 115.59 25.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.837 -0.62 . . . . 75.34 110.377 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.422 ' O ' HD11 ' A' ' 30' ' ' LEU . 21.0 m-85 -92.98 97.28 10.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.618 -0.265 . . . . 74.32 110.439 -179.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.8 mp -106.69 158.74 16.74 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.08 -0.341 . . . . 75.22 110.08 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.495 ' HG3' ' CA ' ' A' ' 85' ' ' ARG . 1.8 ttp85 -145.93 155.08 42.62 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.884 -0.326 . . . . 74.21 110.73 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.716 ' HB2' ' HB3' ' A' ' 105' ' ' ARG . . . -72.36 158.0 36.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.048 -0.524 . . . . 75.51 110.488 175.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -79.23 -20.73 47.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.013 -0.54 . . . . 61.33 110.865 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.922 ' HB2' ' HD2' ' A' ' 102' ' ' PRO . 4.7 p-10 -141.01 174.55 3.79 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.47 -0.332 . . . . 71.45 110.114 -177.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.922 ' HD2' ' HB2' ' A' ' 101' ' ' ASP . 5.8 Cg_endo -48.52 -29.51 14.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 C-N-CA 123.53 2.82 . . . . 70.4 114.363 -177.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -131.02 -157.47 0.82 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.677 -0.49 . . . . 63.12 109.677 176.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.451 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 64.5 m80 70.33 8.7 6.74 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 122.533 0.333 . . . . 70.42 111.323 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.716 ' HB3' ' HB2' ' A' ' 99' ' ' ALA . 2.2 ppt_? -69.43 -11.12 60.56 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.374 0.607 . . . . 73.44 110.161 176.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -55.27 -12.26 0.96 Allowed 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.006 -0.997 . . . . 65.25 111.028 170.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 18.7 mm-40 -46.04 -54.14 8.95 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.777 -0.453 . . . . 63.33 109.777 170.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.673 ' CH2' ' HG2' ' A' ' 26' ' ' ARG . 14.5 m95 -70.21 -46.58 64.22 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.404 -0.816 . . . . 75.22 109.49 -173.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.424 ' O ' ' HG2' ' A' ' 113' ' ' GLU . 26.6 mm -55.61 -62.8 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.367 -0.833 . . . . 71.32 110.474 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -60.3 -41.28 93.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.748 -0.66 . . . . 71.15 111.046 -174.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.12 -54.99 40.49 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 121.036 0.446 . . . . 72.35 110.741 178.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 1.005 HG12 HD23 ' A' ' 71' ' ' LEU . 43.9 mt -67.67 -46.44 82.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.419 -0.355 . . . . 72.42 111.15 -176.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 109' ' ' ILE . 8.7 mm-40 -58.8 -36.81 75.06 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.852 0.358 . . . . 63.23 111.374 -178.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -79.95 -31.4 39.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.553 -0.294 . . . . 74.02 111.196 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.839 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 58.5 m-70 -91.86 2.53 56.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.922 0.342 . . . . 70.55 111.922 -179.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.888 ' HE2' ' HA ' ' A' ' 116' ' ' LYS . 7.5 mmpt? -42.07 141.55 0.87 Allowed 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.47 0.915 . . . . 74.3 113.47 175.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.247 0.939 0 CA-C-N 114.449 -1.25 . . . . 72.42 108.849 178.853 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.8 t . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 108.947 -0.76 . . . . 52.32 108.947 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.83 -58.33 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.437 0.461 . . . . 73.02 109.944 -176.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.672 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 3.3 tpm_? -143.55 132.21 22.48 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.017 168.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.0 p -145.26 120.96 10.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.992 -0.549 . . . . 53.54 109.787 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -176.71 169.82 42.38 Favored Glycine 0 C--O 1.228 -0.281 0 C-N-CA 120.127 -1.035 . . . . 34.45 112.606 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.908 HG13 ' HE3' ' A' ' 44' ' ' TRP . 2.7 m -92.46 150.32 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.091 0.472 . . . . 71.44 110.883 179.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.446 ' O ' ' HA ' ' A' ' 42' ' ' ASP . 3.6 pp -128.63 142.77 50.93 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.581 -0.736 . . . . 63.3 109.138 173.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.6 p -105.5 102.61 12.07 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.826 -0.625 . . . . 75.32 110.219 178.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -113.32 144.5 42.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.289 -0.414 . . . . 64.31 110.381 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.11 88.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.296 0.569 . . . . 72.15 110.435 179.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.1 p -83.68 98.75 9.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.759 -0.655 . . . . 71.23 111.348 -175.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.2 m120 74.43 -34.12 0.26 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.543 -0.753 . . . . 73.23 111.783 176.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.44 ' HB2' ' HA3' ' A' ' 39' ' ' GLY . 21.1 m-85 -115.78 133.25 56.22 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.626 -0.509 . . . . 75.44 109.626 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.5 tp -66.0 -25.87 37.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.024 0.44 . . . . 44.53 110.4 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -102.37 13.32 34.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.014 0.435 . . . . 74.1 110.413 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.44 ' HA3' ' HB2' ' A' ' 36' ' ' TYR . . . -118.69 62.99 0.44 Allowed Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.756 -0.656 . . . . 71.02 111.762 -178.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 7.3 m-90 -72.64 109.56 6.37 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.92 -0.4 . . . . 71.4 109.92 177.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -91.59 137.69 32.16 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.255 0.55 . . . . 63.2 110.837 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.446 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 4.2 m-20 -97.84 117.88 33.16 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.744 -1.117 . . . . 71.03 109.159 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -126.09 147.87 49.49 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.08 -0.509 . . . . 74.13 110.171 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.908 ' HE3' HG13 ' A' ' 29' ' ' VAL . 64.8 t-105 -96.34 118.69 33.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.304 -0.407 . . . . 72.12 110.085 -173.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.9 m -111.56 141.72 26.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.456 0.646 . . . . 73.0 111.42 -176.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.502 ' O ' HD12 ' A' ' 52' ' ' LEU . 46.3 t -129.97 122.95 55.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 114.88 -1.055 . . . . 63.22 110.633 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 tt -107.68 111.22 23.31 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.671 -0.863 . . . . 72.12 108.671 176.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -157.64 143.19 17.19 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.044 -0.262 . . . . 75.24 111.016 -177.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 54.76 35.61 24.45 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.179 -0.464 . . . . 60.42 111.397 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.536 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 2.7 t-20 68.0 5.7 4.73 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.142 -0.936 . . . . 60.42 111.125 178.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.36 124.59 52.82 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.225 0.536 . . . . 75.54 109.948 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 46' ' ' VAL . 51.6 tp -99.68 131.19 45.83 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.977 -0.749 . . . . 71.22 108.977 177.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 15.5 m -141.77 139.41 32.79 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.17 -0.468 . . . . 61.32 109.835 -175.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.646 ' HB3' ' CZ3' ' A' ' 95' ' ' TRP . 3.0 p90 -124.84 156.07 38.45 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.057 -0.657 . . . . 71.25 111.025 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -127.79 165.64 19.71 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 114.904 -1.043 . . . . 75.44 109.043 -177.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.519 ' HB3' ' CG ' ' A' ' 63' ' ' TYR . 29.4 tptp -57.41 -32.46 66.88 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 123.619 0.574 . . . . 63.45 111.466 -178.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.6 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 8.1 t -171.81 -163.79 0.28 Allowed 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.702 -0.481 . . . . 71.52 109.702 176.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -67.35 -28.21 67.77 Favored 'General case' 0 N--CA 1.461 0.116 0 O-C-N 123.117 0.261 . . . . 70.1 111.362 -173.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.519 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 5.6 m-20 -74.72 47.91 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.358 0.599 . . . . 64.21 110.397 173.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -46.21 -37.76 7.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.722 -1.126 . . . . 72.25 112.409 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.5 p -56.94 -34.87 68.43 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.284 0.476 . . . . 75.21 112.284 -177.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -111.91 4.86 18.53 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.918 -0.313 . . . . 61.51 111.625 -178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 9.7 m-85 -104.11 -24.53 13.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.693 0.282 . . . . 72.0 110.937 177.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.81 160.23 9.09 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 121.005 -0.617 . . . . 71.54 113.016 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.4 p -72.34 109.96 6.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.137 0.494 . . . . 62.33 110.187 178.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -91.03 -17.64 25.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.916 -0.584 . . . . 72.52 110.762 -175.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -157.84 148.8 18.75 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.978 -0.849 . . . . 70.41 110.978 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 13.2 p -159.43 121.79 3.47 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 117.013 0.407 . . . . 73.5 110.759 -176.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.405 ' HB ' HG11 ' A' ' 90' ' ' VAL . 23.3 pt -128.7 156.87 41.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.148 -0.478 . . . . 71.43 111.251 179.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 85.2 m -99.08 119.39 37.75 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.47 -0.786 . . . . 63.34 109.676 175.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.877 HD23 HG12 ' A' ' 112' ' ' ILE . 8.2 mp -84.08 25.52 0.82 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.29 0.567 . . . . 65.22 110.699 -175.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.4 m -77.46 -31.76 53.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.378 -0.828 . . . . 52.44 110.452 177.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.22 4.28 4.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.595 -0.73 . . . . 75.54 110.908 -177.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.659 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -65.7 133.5 51.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.122 -0.49 . . . . 45.2 110.946 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.1 t -85.97 108.82 17.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.675 -0.693 . . . . 61.12 110.387 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.8 mt -77.21 107.86 9.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.047 -0.524 . . . . 71.03 109.75 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.2 m -109.2 99.98 38.68 Favored Pre-proline 0 C--N 1.316 -0.889 0 CA-C-N 116.264 -0.426 . . . . 75.13 110.917 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.25 125.1 13.46 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.148 1.898 . . . . 64.05 109.998 172.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.401 ' HB3' ' O ' ' A' ' 82' ' ' ASP . 34.1 t60 -63.38 137.03 58.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.849 -0.426 . . . . 53.05 109.849 -177.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.54 -49.86 43.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.947 0.403 . . . . 34.31 111.13 -172.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -83.15 -11.38 57.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.254 -0.43 . . . . 73.32 111.635 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 79' ' ' HIS . 58.2 m-20 -128.27 107.79 10.06 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 120.665 0.269 . . . . 73.5 110.553 178.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -76.84 -25.69 53.48 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.094 -0.503 . . . . 54.13 110.689 -177.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 98' ' ' ARG . 72.6 m -85.07 -13.69 49.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.107 -0.497 . . . . 64.03 110.81 178.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.4 ' HD2' ' HB2' ' A' ' 79' ' ' HIS . 9.3 ttm180 -94.55 132.44 39.24 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.36 0.6 . . . . 55.14 110.599 179.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.4 ' CE1' ' HD3' ' A' ' 105' ' ' ARG . 3.8 m-85 -125.41 126.74 45.45 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.494 -0.776 . . . . 74.11 110.335 178.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -108.55 115.54 30.3 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.65 -0.704 . . . . 62.31 109.641 -178.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.472 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 4.1 mp -108.01 113.52 44.03 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 CA-C-N 115.273 -0.876 . . . . 75.31 109.694 -173.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.1 p -120.37 117.9 28.96 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.211 0.529 . . . . 64.25 111.884 -173.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.659 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 12.5 p -147.16 129.63 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.327 -0.62 . . . . 72.41 109.327 175.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.594 HD22 HG22 ' A' ' 90' ' ' VAL . 48.4 m-80 59.86 27.99 17.41 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.692 0.282 . . . . 73.24 111.329 -178.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 91' ' ' ASN . 5.3 m-20 70.92 2.35 4.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.695 -0.684 . . . . 71.12 112.4 -175.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.8 m -80.06 101.29 8.63 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.644 -0.873 . . . . 61.42 108.644 173.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.1 t -99.19 117.15 43.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.661 -0.7 . . . . 71.52 110.962 -174.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.646 ' CZ3' ' HB3' ' A' ' 54' ' ' TYR . 26.4 m95 -106.64 133.82 50.74 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.468 -0.787 . . . . 73.22 110.26 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -109.47 94.74 5.19 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.005 -0.368 . . . . 61.13 110.005 177.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 79.2 mt -95.9 162.58 13.52 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.254 -0.43 . . . . 70.54 110.058 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.435 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 1.1 ttp180 -140.87 138.53 34.01 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.024 -0.732 . . . . 71.34 109.024 175.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.65 139.46 53.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.64 0.257 . . . . 62.12 110.313 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.45 -16.87 61.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.106 0.479 . . . . 64.44 110.474 -178.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -134.86 133.51 21.14 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.1 -0.5 . . . . 72.34 109.875 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -51.49 131.28 36.24 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.41 2.74 . . . . 65.31 113.17 -176.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.9 t70 73.61 -25.46 0.19 Allowed 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.099 -0.955 . . . . 73.14 112.849 175.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -81.25 65.74 6.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.939 0.876 . . . . 74.32 110.288 -177.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.4 ' HD3' ' CE1' ' A' ' 86' ' ' PHE . 13.0 ptp180 -83.96 -4.04 58.43 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.124 -1.398 . . . . 64.43 109.307 178.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -25.14 8.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.249 -1.341 . . . . 74.41 112.491 -174.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -49.86 -50.57 45.16 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.599 0.562 . . . . 74.2 110.688 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.672 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 10.9 m95 -70.21 -49.61 48.46 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.535 -0.757 . . . . 64.15 109.676 -175.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 17.3 mm -56.06 -55.64 17.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.366 -0.834 . . . . 64.04 110.325 -176.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -61.61 -52.7 63.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.705 -0.68 . . . . 52.23 111.213 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.99 -54.49 38.26 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.354 0.597 . . . . 53.54 111.252 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.877 HG12 HD23 ' A' ' 71' ' ' LEU . 38.2 mt -68.83 -49.14 66.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.926 -0.579 . . . . 71.32 111.656 -174.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -58.78 -37.65 76.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.673 0.273 . . . . 75.53 111.607 -178.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -79.53 -28.34 41.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.487 -0.324 . . . . 64.43 111.754 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 31.9 m-70 -91.01 -23.31 20.42 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 113.473 0.916 . . . . 73.35 113.473 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.554 ' O ' ' HE3' ' A' ' 116' ' ' LYS . 0.4 OUTLIER -69.57 166.88 18.01 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.291 0.567 . . . . 71.4 111.654 -173.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.251 1.159 0 CA-C-N 115.638 -0.71 . . . . 44.03 109.601 176.479 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.49 HG11 ' HB3' ' A' ' 27' ' ' CYS . 39.5 t . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 109.54 -0.541 . . . . 52.22 109.54 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.454 ' CD ' ' HE2' ' A' ' 115' ' ' HIS . 6.4 mm-40 -64.3 -46.6 82.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.26 0.553 . . . . 74.52 110.006 -176.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.605 ' NE ' ' HA ' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -156.04 128.46 7.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.791 -0.64 . . . . 71.13 109.886 172.787 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.49 ' HB3' HG11 ' A' ' 24' ' ' VAL . 4.3 p -140.02 123.78 17.38 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.149 -0.478 . . . . 64.04 109.793 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.55 170.7 43.76 Favored Glycine 0 C--N 1.319 -0.364 0 C-N-CA 120.192 -1.004 . . . . 60.51 112.576 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.89 HG13 ' HE3' ' A' ' 44' ' ' TRP . 1.7 m -95.66 141.08 15.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.146 0.498 . . . . 63.34 111.639 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.608 HD22 ' HA ' ' A' ' 97' ' ' LEU . 34.1 tp -119.98 130.29 54.68 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.521 -0.763 . . . . 50.52 110.232 174.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.5 p -76.51 94.5 3.71 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.011 -0.54 . . . . 74.11 110.233 176.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -120.76 138.37 54.04 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.492 -0.558 . . . . 53.41 109.492 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.894 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 5.7 m-90 -69.42 91.39 0.56 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.109 -0.496 . . . . 72.22 110.423 -178.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.7 t -81.76 -15.43 54.33 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.95 -0.759 . . . . 34.13 108.95 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -123.1 169.81 10.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.968 -1.015 . . . . 53.45 108.717 177.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -100.02 -67.24 0.86 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.068 0.461 . . . . 75.23 110.713 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.2 mm -68.69 -37.07 77.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.835 -0.62 . . . . 54.31 110.871 -178.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -79.91 -16.6 54.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.594 -176.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.94 -136.59 13.58 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.6 -0.81 . . . . 61.03 113.164 176.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.894 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 63.7 p-90 -97.23 167.97 10.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.406 0.622 . . . . 73.31 112.047 -172.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -146.09 160.48 41.85 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.084 -1.08 . . . . 75.32 108.084 171.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.644 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 65.7 m-20 -93.68 107.44 19.31 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.154 0.502 . . . . 74.35 110.562 -176.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.527 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 3.1 ptm180 -93.91 137.12 33.48 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.374 -0.83 . . . . 73.13 109.481 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.89 ' HE3' HG13 ' A' ' 29' ' ' VAL . 69.1 t-105 -93.0 112.88 25.0 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 109.614 -0.513 . . . . 74.01 109.614 -176.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 22.1 m -109.71 141.21 25.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-O 121.242 0.544 . . . . 74.25 110.792 -175.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.463 ' O ' HD12 ' A' ' 52' ' ' LEU . 36.4 t -131.44 118.55 40.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.106 -0.952 . . . . 65.01 110.689 -177.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.7 tt -103.29 121.78 43.43 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.525 -0.917 . . . . 75.02 108.525 174.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 57.6 tptt -169.01 141.95 2.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.695 -0.229 . . . . 72.0 110.472 -177.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.52 24.57 14.1 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.387 -0.369 . . . . 72.4 111.169 175.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.595 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 4.1 t-20 72.36 5.03 5.18 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.523 0.729 . . . . 40.22 110.593 -178.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.97 150.3 25.82 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.75 -0.659 . . . . 52.02 109.481 177.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.463 HD12 ' O ' ' A' ' 46' ' ' VAL . 32.1 tp -124.86 132.03 53.37 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.273 -0.64 . . . . 63.42 109.273 176.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.6 m -137.66 153.9 49.77 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.71 -0.677 . . . . 64.3 109.565 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.648 ' HB3' ' CZ3' ' A' ' 95' ' ' TRP . 0.7 OUTLIER -137.09 152.58 50.19 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.228 -0.589 . . . . 72.15 110.5 178.133 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.512 ' HD2' ' HD1' ' A' ' 44' ' ' TRP . 25.7 m-85 -129.35 167.43 17.77 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.236 -0.893 . . . . 72.53 108.592 -174.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.597 ' HB2' ' CG ' ' A' ' 63' ' ' TYR . 31.6 mmmt -58.02 -35.31 71.09 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 123.538 0.524 . . . . 53.15 111.413 -179.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.591 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 15.8 t -171.74 -168.44 0.59 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.396 -0.366 . . . . 73.43 110.043 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -59.76 -28.48 67.43 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 123.349 0.66 . . . . 74.02 111.538 -173.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.542 ' OD2' ' HB3' ' A' ' 62' ' ' GLU . 12.7 t70 -78.59 48.8 0.82 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.893 0.854 . . . . 75.1 109.581 178.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -46.13 -32.99 3.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.252 -1.34 . . . . 75.3 113.236 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 p -58.35 -45.81 87.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.785 0.326 . . . . 55.41 111.552 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.542 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.4 tp10 -85.29 -47.38 10.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.383 -0.371 . . . . 74.11 110.728 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.597 ' CG ' ' HB2' ' A' ' 56' ' ' LYS . 18.2 m-85 -60.9 -31.33 70.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.412 0.523 . . . . 74.33 112.412 -173.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.68 160.06 10.26 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.494 -0.86 . . . . 35.25 113.449 173.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 66.9 m -64.28 117.95 7.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.219 0.533 . . . . 72.02 110.596 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.481 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 24.1 mmt180 -105.18 -6.43 19.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.815 -0.629 . . . . 72.52 110.844 -178.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -164.63 146.01 10.9 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.318 -0.856 . . . . 63.3 111.178 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.6 t -151.8 125.64 9.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.866 0.365 . . . . 74.21 110.818 -178.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.477 HD13 ' CD1' ' A' ' 95' ' ' TRP . 28.6 pt -136.12 153.84 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.121 -0.49 . . . . 73.03 110.423 176.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 73.5 m -104.93 116.98 32.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.963 -0.562 . . . . 62.24 110.309 177.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.69 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 8.3 mp -78.75 9.3 4.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.834 -0.621 . . . . 72.41 111.353 -174.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.0 m -66.03 -32.07 73.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.813 -0.63 . . . . 72.25 110.654 176.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.449 ' N ' ' HD3' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -132.69 6.91 4.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.631 -0.713 . . . . 74.31 110.574 -179.053 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.69 ' HB3' ' HA ' ' A' ' 71' ' ' LEU . . . -79.93 125.59 29.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.917 -0.583 . . . . 75.53 110.162 177.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.3 t -83.35 120.14 34.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.846 0.355 . . . . 61.22 111.077 -174.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.542 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 53.7 mt -75.04 118.45 20.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.102 -0.499 . . . . 65.24 110.009 176.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.478 ' HB ' ' CG ' ' A' ' 87' ' ' ASP . 91.5 m -104.77 96.54 10.76 Favored Pre-proline 0 C--N 1.318 -0.767 0 N-CA-C 109.949 -0.389 . . . . 61.2 109.949 173.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.542 ' HD3' ' O ' ' A' ' 76' ' ' ILE . 6.1 Cg_exo -78.41 116.49 3.87 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.381 2.054 . . . . 54.22 110.619 176.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.522 ' HB2' ' HD2' ' A' ' 85' ' ' ARG . 4.1 t60 -59.13 132.02 52.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.999 0.428 . . . . 72.32 109.931 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -78.75 -32.87 46.82 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.25 0.547 . . . . 72.43 110.447 -173.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -75.99 -26.04 56.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.642 -0.708 . . . . 64.15 110.819 176.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.526 ' HB2' ' HB3' ' A' ' 85' ' ' ARG . 11.3 m-20 -117.58 107.48 14.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.38 -0.373 . . . . 75.31 111.105 -176.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 104' ' ' HIS . 47.1 mm-40 -64.59 -22.74 67.05 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.047 -0.524 . . . . 74.33 111.752 -177.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.641 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 64.4 m -104.02 -10.66 17.9 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.747 -0.381 . . . . 71.52 111.715 -177.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.526 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 2.0 ttm180 -93.19 142.29 27.47 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.45 -0.5 . . . . 63.32 110.933 -175.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.74 ' CE1' ' HB3' ' A' ' 97' ' ' LEU . 1.7 p90 -148.38 158.4 44.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.614 -0.721 . . . . 65.43 109.462 176.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.478 ' CG ' ' HB ' ' A' ' 77' ' ' THR . 3.4 p30 -137.04 127.33 26.39 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.272 0.558 . . . . 75.35 110.179 175.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.789 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 42.8 mm -86.05 99.16 7.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.826 -0.624 . . . . 64.52 110.419 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.0 p -95.72 103.1 14.96 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.563 0.697 . . . . 74.03 110.954 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.762 HG22 ' H ' ' A' ' 91' ' ' ASN . 7.4 p -117.31 -173.96 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 108.253 -1.017 . . . . 75.32 108.253 175.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.762 ' H ' HG22 ' A' ' 90' ' ' VAL . 17.3 m-20 -44.27 101.86 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.492 0.717 . . . . 65.12 112.002 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.4 t70 51.34 32.2 8.1 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 123.408 0.683 . . . . 65.1 112.051 177.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.489 ' HB2' ' CG1' ' A' ' 90' ' ' VAL . 39.3 m -146.33 107.44 4.18 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 122.012 -0.43 . . . . 52.11 110.579 178.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.8 t -106.77 114.61 46.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.779 -0.452 . . . . 65.3 109.779 177.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.789 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 21.9 m95 -103.08 96.06 6.54 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.215 -0.448 . . . . 62.41 111.735 -174.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -73.38 139.78 46.17 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.022 -0.535 . . . . 64.51 110.12 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.74 ' HB3' ' CE1' ' A' ' 86' ' ' PHE . 45.0 tp -165.07 176.36 8.61 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.782 -0.821 . . . . 71.31 108.782 175.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.531 ' H ' ' HG ' ' A' ' 97' ' ' LEU . 23.2 ttm-85 -154.72 150.27 27.43 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.692 -0.485 . . . . 60.42 109.692 -176.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.641 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . . . -67.93 151.98 46.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.257 -0.428 . . . . 61.11 109.875 174.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.597 ' H ' HE21 ' A' ' 100' ' ' GLN . 0.0 OUTLIER -52.68 -65.27 0.59 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.646 -0.706 . . . . 72.54 112.183 -177.194 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.482 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 23.6 t70 -175.58 -58.99 0.0 OUTLIER Pre-proline 0 N--CA 1.467 0.386 0 N-CA-C 111.906 0.335 . . . . 64.04 111.906 178.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.482 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 32.4 Cg_endo -64.51 -18.09 61.76 Favored 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 122.222 1.948 . . . . 72.12 113.13 -175.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.609 ' OD1' ' HG3' ' A' ' 106' ' ' GLN . 5.0 t70 -121.2 -179.85 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.43 -0.581 . . . . 73.42 109.43 178.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.457 ' HB2' ' HG2' ' A' ' 106' ' ' GLN . 55.1 m-70 -129.93 -158.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.652 0.263 . . . . 63.43 110.322 -172.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.478 ' O ' HG12 ' A' ' 109' ' ' ILE . 8.1 ptt180 -54.6 -25.57 27.19 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.126 -0.488 . . . . 73.04 111.742 176.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.609 ' HG3' ' OD1' ' A' ' 103' ' ' ASP . 4.7 pt20 -55.0 -26.15 34.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.903 -0.59 . . . . 74.22 112.403 -178.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.49 ' HG2' ' OD1' ' A' ' 103' ' ' ASP . 13.2 mm-40 -49.18 -56.29 9.71 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 122.335 1.064 . . . . 72.11 109.964 171.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.563 ' CH2' ' HG2' ' A' ' 26' ' ' ARG . 8.3 m95 -78.95 -39.72 33.79 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 113.77 -1.559 . . . . 63.21 109.782 -170.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 105' ' ' ARG . 39.8 mm -55.65 -52.78 44.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.959 -0.564 . . . . 73.34 109.779 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -63.17 -50.76 69.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.411 -0.359 . . . . 51.54 111.498 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.78 -55.84 27.65 Favored 'General case' 0 C--O 1.244 0.803 0 CA-C-O 121.533 0.682 . . . . 75.1 111.148 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.667 HG12 HD23 ' A' ' 71' ' ' LEU . 55.1 mt -65.03 -51.55 64.86 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.851 0 CA-C-N 115.75 -0.659 . . . . 75.0 110.703 -176.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.647 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 4.9 mm-40 -50.63 -44.67 57.39 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.176 0.512 . . . . 72.24 111.4 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -76.45 -18.79 58.61 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.087 -0.506 . . . . 55.34 111.591 -177.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.595 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 11.2 m-70 -97.07 -23.86 16.05 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 114.143 1.164 . . . . 72.12 114.143 176.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.647 ' HE2' ' O ' ' A' ' 113' ' ' GLU . 0.0 OUTLIER -86.14 169.76 12.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 118.662 0.664 . . . . 73.13 111.563 -176.622 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 66.9 p . . . . . 0 C--O 1.252 1.235 0 CA-C-N 115.023 -0.99 . . . . 53.21 110.617 -174.027 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.436 HG21 ' HB3' ' A' ' 27' ' ' CYS . 7.4 p . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 110.003 -0.369 . . . . 54.55 110.003 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.664 ' HG2' ' HA ' ' A' ' 48' ' ' LYS . 4.0 mm-40 -89.3 -56.21 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.271 0.558 . . . . 54.53 110.2 -175.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.716 ' HA ' ' HE ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -141.03 119.51 12.3 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.322 -0.621 . . . . 75.35 109.322 177.84 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 3.6 p -135.88 115.33 12.68 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.471 -0.331 . . . . 74.43 110.199 -179.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -168.48 163.51 37.23 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 119.861 -1.161 . . . . 61.42 113.065 -176.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.851 HG13 ' HE3' ' A' ' 44' ' ' TRP . 4.5 m -92.74 143.85 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.893 0.378 . . . . 74.4 110.566 176.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.599 ' O ' ' HA ' ' A' ' 42' ' ' ASP . 2.5 pt? -139.7 165.57 26.91 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.984 -0.553 . . . . 62.5 110.545 177.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.9 p -97.37 110.77 23.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.409 0.623 . . . . 60.34 111.345 -174.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 16.8 tptm -138.82 138.66 37.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.933 -0.576 . . . . 75.43 109.845 176.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.658 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 19.2 p90 -73.3 141.01 47.16 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.762 -0.459 . . . . 75.31 109.762 177.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.7 p -92.26 -55.06 3.56 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.903 -0.589 . . . . 74.43 110.485 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -126.6 -41.86 1.83 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.059 -0.519 . . . . 73.11 110.534 175.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.658 ' O ' ' HB2' ' A' ' 33' ' ' TRP . 97.5 m-85 -98.84 126.71 44.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 74.0 110.228 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.495 ' HA ' ' CG ' ' A' ' 33' ' ' TRP . 63.4 mt -64.35 -48.32 85.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 N-CA-C 112.256 0.465 . . . . 71.23 112.256 -173.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -80.58 -0.33 37.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.19 0.519 . . . . 74.41 110.993 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.31 60.86 0.31 Allowed Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 110.817 -0.913 . . . . 73.23 110.817 173.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.621 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 48.2 p90 -76.8 152.9 35.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 110.156 -0.313 . . . . 74.22 110.156 -178.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -143.91 172.28 13.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.953 0.406 . . . . 74.13 110.425 179.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.599 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 8.5 p-10 -94.35 136.47 34.61 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.541 -0.754 . . . . 74.24 110.91 -173.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.558 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 18.9 ptp180 -130.41 150.06 51.81 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.123 -0.944 . . . . 74.33 109.205 176.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.851 ' HE3' HG13 ' A' ' 29' ' ' VAL . 63.4 t-105 -99.47 120.4 39.56 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 123.463 0.477 . . . . 71.2 109.964 -175.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.525 HG12 ' HB2' ' A' ' 54' ' ' TYR . 29.0 m -116.5 144.15 24.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.086 0.469 . . . . 74.34 111.03 -177.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.571 ' O ' HD12 ' A' ' 52' ' ' LEU . 77.2 t -130.0 115.23 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.1 -0.955 . . . . 60.21 111.247 -176.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -101.09 123.47 45.3 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.64 -0.874 . . . . 73.42 108.64 175.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.664 ' HA ' ' HG2' ' A' ' 25' ' ' GLU . 60.6 pttt -177.77 160.0 1.47 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 110.082 -0.34 . . . . 75.31 110.082 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 56.67 26.14 10.9 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.281 0.474 . . . . 60.51 112.281 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.566 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 2.8 t-20 67.89 13.64 9.22 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.381 0.61 . . . . 74.33 110.479 -177.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -123.39 172.08 8.95 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.744 -0.662 . . . . 75.12 110.21 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 46' ' ' VAL . 56.0 tp -143.43 138.75 29.55 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.962 -0.563 . . . . 72.41 109.511 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.6 p -142.77 151.45 41.24 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 110.058 -0.349 . . . . 64.12 110.058 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.651 ' HB3' ' CZ3' ' A' ' 95' ' ' TRP . 1.4 p90 -131.71 151.42 51.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.47 0.652 . . . . 63.23 110.922 177.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.485 ' HD1' ' HD1' ' A' ' 44' ' ' TRP . 15.5 m-85 -133.41 173.73 11.16 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.878 -1.055 . . . . 74.43 109.317 -174.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.459 ' HG2' ' HE ' ' A' ' 66' ' ' ARG . 69.5 mmtt -62.78 -49.8 73.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.664 -0.698 . . . . 70.23 111.277 178.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.64 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 50.5 m -147.44 179.79 7.41 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.296 -0.411 . . . . 70.33 110.44 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.41 ' HG3' ' CH2' ' A' ' 44' ' ' TRP . 38.7 tt0 -60.19 -26.69 66.55 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.967 0.728 . . . . 73.5 112.967 -171.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.566 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 16.3 t70 -52.08 -37.74 54.89 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.054 0.39 . . . . 61.32 112.054 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 59.46 -63.59 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.286 1.034 . . . . 71.43 113.629 -173.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.4 t -49.25 -51.9 30.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 114.042 1.127 . . . . 74.33 114.042 -163.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' HG2' ' OD2' ' A' ' 59' ' ' ASP . 14.0 pt-20 -100.2 16.27 24.8 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.883 -0.727 . . . . 44.3 111.267 -177.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.64 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 20.7 m-85 -106.91 -8.04 16.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.625 -0.716 . . . . 73.12 109.859 172.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.34 -114.61 3.89 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.617 -0.72 . . . . 52.11 112.428 171.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 41.6 t -169.32 112.88 0.52 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.335 -0.987 . . . . 73.0 108.335 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.459 ' HE ' ' HG2' ' A' ' 56' ' ' LYS . 29.5 mmt180 -91.35 -11.35 38.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.916 0.389 . . . . 71.11 111.465 -170.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 178.01 145.22 5.85 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.21 -0.756 . . . . 55.3 111.21 177.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.5 t -154.81 139.66 17.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.055 0.455 . . . . 75.3 110.307 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.459 ' HB ' HG11 ' A' ' 90' ' ' VAL . 38.6 pt -134.9 171.22 18.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.677 -0.692 . . . . 74.01 110.234 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.508 ' HB3' ' HD3' ' A' ' 73' ' ' LYS . 8.8 t -120.88 132.28 54.88 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.783 -0.451 . . . . 73.04 109.783 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.585 ' HG ' HG12 ' A' ' 112' ' ' ILE . 4.2 mm? -77.82 -1.69 32.79 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.29 -0.414 . . . . 74.21 111.484 -176.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.4 m -66.02 -26.94 67.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.212 -0.449 . . . . 63.04 110.949 177.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.508 ' HD3' ' HB3' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -127.13 -10.33 5.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 72.03 111.554 -177.761 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.74 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -70.83 141.44 51.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.885 0.374 . . . . 53.53 111.454 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.5 t -106.16 126.4 61.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.069 -0.514 . . . . 63.45 110.438 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.438 HD11 ' CD1' ' A' ' 112' ' ' ILE . 59.4 mt -80.64 117.39 26.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.028 -0.533 . . . . 63.42 110.011 177.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.695 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 6.5 m -111.57 99.43 44.52 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 116.133 -0.485 . . . . 53.22 110.637 -177.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 77' ' ' THR . 32.7 Cg_endo -65.14 134.8 40.9 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.47 2.114 . . . . 61.53 112.201 -178.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -86.47 114.72 23.46 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.043 -0.725 . . . . 75.33 109.043 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -75.26 -30.4 60.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.76 0.314 . . . . 71.34 111.208 -173.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -70.07 -15.4 62.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.246 0.546 . . . . 73.11 109.812 174.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -115.5 -174.32 2.49 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.204 -1.036 . . . . 65.43 108.204 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -134.27 -19.44 1.94 Allowed 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.166 0.508 . . . . 71.35 109.923 178.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.779 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 59.1 m -122.46 1.42 9.56 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.741 -0.663 . . . . 61.15 110.951 -177.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.508 ' HB2' ' HG3' ' A' ' 98' ' ' ARG . 0.3 OUTLIER -95.59 133.0 40.14 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.425 0.631 . . . . 52.11 111.081 -179.709 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -138.9 118.17 12.73 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.938 -1.028 . . . . 74.21 110.421 -174.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.695 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 12.9 t70 -90.28 119.3 30.47 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.814 -1.084 . . . . 74.25 110.11 -176.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.853 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 20.2 mm -96.73 110.24 24.48 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 N-CA-C 109.488 -0.56 . . . . 72.11 109.488 -178.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 46.8 p -115.45 123.32 48.3 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 119.767 -0.773 . . . . 74.03 111.506 -176.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.787 HG22 HD22 ' A' ' 91' ' ' ASN . 9.2 p -164.04 136.63 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.342 -0.845 . . . . 52.32 109.401 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.787 HD22 HG22 ' A' ' 90' ' ' VAL . 28.0 m-80 60.02 23.55 12.71 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 112.019 0.378 . . . . 70.53 112.019 178.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.526 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 13.7 t70 75.09 -7.35 1.78 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.717 0.635 . . . . 70.1 111.285 -174.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.9 m -79.09 119.58 22.42 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.161 -0.681 . . . . 71.44 109.161 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.39 120.09 59.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.144 -0.48 . . . . 64.04 110.729 -175.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.853 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 35.2 m95 -115.09 106.84 14.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.955 0.407 . . . . 63.34 111.024 -175.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -83.18 94.23 7.82 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.581 -0.281 . . . . 73.44 110.687 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.14 153.01 17.86 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.368 -0.378 . . . . 75.15 110.097 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.508 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 7.1 ttp85 -149.67 146.68 27.39 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.887 -0.412 . . . . 75.11 109.887 176.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.779 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . . . -68.19 152.8 44.93 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.055 174.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.865 ' HG2' ' HB3' ' A' ' 103' ' ' ASP . 1.2 mm-40 -70.95 -68.01 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.977 -0.379 . . . . 73.44 109.977 -176.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.527 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 28.2 t70 -167.6 -61.86 0.01 OUTLIER Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.307 -0.406 . . . . 62.11 111.038 175.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.527 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 60.1 Cg_endo -76.21 -30.31 5.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 121.551 1.501 . . . . 70.12 109.755 170.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.865 ' HB3' ' HG2' ' A' ' 100' ' ' GLN . 4.9 t70 -65.06 145.31 56.48 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 113.661 -1.608 . . . . 73.52 108.796 170.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.47 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 42.6 m80 -143.19 -178.37 5.82 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 121.22 -0.192 . . . . 71.42 111.066 -177.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.447 ' H ' ' HD2' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -53.83 -26.42 24.24 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.894 0.701 . . . . 64.12 112.894 -171.58 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -56.67 -24.3 47.88 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.032 0.382 . . . . 65.11 112.032 -174.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.494 ' HG3' ' OD2' ' A' ' 103' ' ' ASP . 13.9 mm100 -57.49 -48.47 79.13 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.223 0.535 . . . . 73.34 109.634 177.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.511 ' CH2' ' HG2' ' A' ' 26' ' ' ARG . 13.9 m95 -72.09 -48.38 44.44 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.33 -0.85 . . . . 72.45 109.426 -174.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 26.5 mm -56.01 -56.28 13.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.178 -0.919 . . . . 61.15 110.316 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -60.48 -50.87 71.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.752 -0.658 . . . . 62.42 111.297 -177.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.96 -55.13 34.11 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.194 0.521 . . . . 65.52 111.031 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.585 HG12 ' HG ' ' A' ' 71' ' ' LEU . 61.1 mt -65.89 -51.88 55.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.994 -0.548 . . . . 73.14 111.396 -175.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -60.43 -29.25 68.89 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.05 0.389 . . . . 73.32 112.05 -177.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -86.33 -23.19 26.33 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.709 -0.396 . . . . 74.24 111.778 177.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.566 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 58.1 m-70 -94.58 -18.22 21.61 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.506 0.928 . . . . 64.23 113.506 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.48 ' O ' ' HE3' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -63.26 160.88 14.81 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.114 0.483 . . . . 74.33 111.948 -177.234 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.633 -1.175 . . . . 75.05 109.193 -176.172 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 110.384 -0.228 . . . . 75.44 110.384 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.406 ' CD ' ' HE2' ' A' ' 115' ' ' HIS . 11.2 mm-40 -76.48 -55.02 5.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.431 0.634 . . . . 71.3 110.122 -178.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.718 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 7.4 tpm_? -136.8 121.24 18.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.685 -0.689 . . . . 63.5 110.494 175.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.2 p -127.46 116.97 21.24 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.245 -1.02 . . . . 70.51 108.245 170.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.54 169.88 40.81 Favored Glycine 0 CA--C 1.506 -0.506 0 C-N-CA 119.746 -1.216 . . . . 74.51 112.713 -178.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.61 ' HB ' ' HB2' ' A' ' 42' ' ' ASP . 5.4 m -92.24 136.21 25.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.445 0.64 . . . . 75.11 111.804 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.8 tp -108.13 118.91 38.0 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.96 -1.018 . . . . 73.04 108.914 175.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -88.46 102.05 14.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.933 -0.576 . . . . 74.31 110.491 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.547 ' HE3' ' CZ3' ' A' ' 33' ' ' TRP . 32.3 tptt -152.88 -175.43 5.31 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.741 -0.837 . . . . 75.35 108.741 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.547 ' CZ3' ' HE3' ' A' ' 32' ' ' LYS . 33.0 p90 -70.66 70.04 0.45 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 122.515 1.15 . . . . 71.51 111.804 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.75 ' HB ' ' HB3' ' A' ' 41' ' ' GLN . 52.1 m -62.77 -32.26 73.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.784 -1.098 . . . . 61.24 109.038 171.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -138.79 143.83 39.1 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 114.299 -1.319 . . . . 72.14 108.736 174.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.472 ' O ' ' HB2' ' A' ' 33' ' ' TRP . 68.4 m-85 65.4 -168.23 0.21 Allowed 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.427 0.455 . . . . 72.21 110.604 -176.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 66.6 mt -116.2 -50.69 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.225 0.536 . . . . 65.22 109.959 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -74.2 -38.44 63.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.769 -0.65 . . . . 73.3 110.149 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.97 157.9 52.71 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.756 -0.735 . . . . 70.12 111.753 177.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 66.2 p-90 -133.53 150.02 51.68 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.676 0.274 . . . . 72.02 110.282 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.75 ' HB3' ' HB ' ' A' ' 34' ' ' THR . 7.6 tt0 -138.8 165.05 28.02 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.123 -1.065 . . . . 75.04 108.123 171.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.61 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 8.2 p-10 -93.25 132.37 37.49 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.097 0.475 . . . . 72.01 110.291 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.465 ' HD2' ' CD2' ' A' ' 54' ' ' TYR . 25.4 ptt180 -122.76 150.72 42.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.842 -0.617 . . . . 75.03 109.737 177.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.438 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 61.9 t-105 -92.49 116.99 29.48 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.726 -0.389 . . . . 65.51 110.938 -171.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.1 m -110.61 140.12 31.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.145 0.497 . . . . 62.23 110.775 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 42.1 t -131.59 124.71 54.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.314 -0.857 . . . . 70.3 111.045 -177.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.1 tp -109.37 127.42 54.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.047 -0.524 . . . . 54.4 110.224 176.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -163.22 156.92 19.75 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.62 -0.264 . . . . 63.42 110.418 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.692 ' O ' ' HB3' ' A' ' 115' ' ' HIS . 14.9 m120 70.42 -74.29 0.09 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.729 0.812 . . . . 71.12 110.563 -179.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -176.71 22.71 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 106.543 -1.651 . . . . 63.12 106.543 171.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.19 147.02 51.87 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.064 -1.425 . . . . 72.55 110.306 -173.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 68' ' ' SER . 30.9 tp -113.95 133.76 55.27 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.838 -0.619 . . . . 74.4 109.948 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 m -127.23 166.52 17.58 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.034 -0.53 . . . . 73.43 109.599 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.465 ' CD2' ' HD2' ' A' ' 43' ' ' ARG . 1.4 p90 -150.25 150.7 31.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.324 0.583 . . . . 64.11 111.257 175.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -131.22 179.64 5.89 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.798 -1.092 . . . . 72.34 108.548 -178.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HB2' ' CD1' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -64.43 -44.37 91.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.627 0.251 . . . . 74.42 111.566 177.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.7 t -162.74 -171.32 2.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.555 -0.293 . . . . 72.45 110.45 -176.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.619 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 22.7 tt0 -54.57 -37.14 65.13 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 113.036 0.754 . . . . 72.52 113.036 -173.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.596 ' OD1' ' HG2' ' A' ' 62' ' ' GLU . 11.4 t70 -47.58 -46.06 27.77 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.472 0.545 . . . . 70.21 112.472 -174.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.619 ' HG3' ' O ' ' A' ' 58' ' ' GLU . 38.5 mt-10 62.98 -51.42 0.19 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.476 1.11 . . . . 73.44 113.774 -176.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.1 t -61.33 -40.22 93.44 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.288 0.847 . . . . 65.33 113.288 -166.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.596 ' HG2' ' OD1' ' A' ' 59' ' ' ASP . 11.0 pt-20 -89.87 6.85 40.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.49 0.662 . . . . 63.21 110.103 -179.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.54 ' CE2' ' HB3' ' A' ' 59' ' ' ASP . 22.4 m-85 -108.12 -33.12 7.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.198 -0.91 . . . . 55.44 110.131 178.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.02 -86.27 1.28 Allowed Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.218 -0.753 . . . . 54.41 111.218 -179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 42.2 t -172.13 133.2 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.537 -0.912 . . . . 71.1 108.537 174.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.55 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 9.9 mmm180 -96.38 -33.17 12.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.013 0.435 . . . . 62.32 110.909 -176.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -169.57 155.6 25.84 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.728 -0.748 . . . . 50.31 111.808 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 51.7 p -155.81 134.6 11.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.529 0.204 . . . . 65.33 110.784 -178.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.41 HD13 ' CD1' ' A' ' 95' ' ' TRP . 42.7 pt -127.46 157.07 39.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.38 -0.373 . . . . 64.14 110.359 178.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.527 ' HB3' ' HE2' ' A' ' 73' ' ' LYS . 39.7 t -102.53 133.45 47.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.868 0.366 . . . . 72.23 110.124 177.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.566 HD13 ' HB3' ' A' ' 74' ' ' ALA . 4.3 mm? -80.66 4.78 17.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.239 -0.437 . . . . 44.32 111.279 -178.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.2 t -77.89 -23.24 48.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.925 0.393 . . . . 62.2 110.241 177.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.527 ' HE2' ' HB3' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -133.21 11.23 4.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.308 -0.405 . . . . 73.31 111.126 177.635 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.566 ' HB3' HD13 ' A' ' 71' ' ' LEU . . . -94.73 128.49 41.45 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.427 -0.583 . . . . 71.01 109.427 175.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.4 t -90.56 123.67 42.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.853 0.359 . . . . 73.14 111.173 -176.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.445 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 57.1 mt -82.38 104.63 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.12 -0.491 . . . . 72.33 110.021 174.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.814 ' HB ' ' HB3' ' A' ' 87' ' ' ASP . 8.9 m -98.3 104.56 23.9 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 116.074 -0.512 . . . . 62.12 110.337 177.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 76' ' ' ILE . 33.7 Cg_exo -61.44 128.87 26.14 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.516 2.144 . . . . 74.04 111.781 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.785 ' HB3' ' HB3' ' A' ' 85' ' ' ARG . 4.4 t60 -86.48 141.28 29.21 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.757 -0.831 . . . . 75.33 108.757 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -93.59 -42.82 9.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.994 0.426 . . . . 40.34 111.161 -174.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -60.51 -26.21 66.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.661 -0.7 . . . . 73.41 110.563 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.765 ' HB3' ' HB2' ' A' ' 85' ' ' ARG . 26.1 t0 -128.99 121.84 28.81 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 108.894 -0.78 . . . . 72.42 108.894 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.53 -19.18 60.97 Favored 'General case' 0 C--N 1.308 -1.221 0 O-C-N 123.68 0.612 . . . . 73.03 110.357 -176.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.712 ' HB3' ' HB3' ' A' ' 99' ' ' ALA . 67.2 m -103.84 -2.96 25.5 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.685 -0.689 . . . . 62.41 111.135 -177.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.785 ' HB3' ' HB3' ' A' ' 79' ' ' HIS . 1.4 tpp180 -87.63 136.84 32.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 64.22 111.966 -177.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.757 ' HE2' ' HB2' ' A' ' 105' ' ' ARG . 42.2 m-85 -135.39 125.52 26.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.23 0.538 . . . . 72.11 110.676 174.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.814 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 9.4 t70 -92.49 103.08 15.53 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.171 -0.922 . . . . 70.15 110.019 -178.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.835 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 29.0 mm -91.04 93.07 4.17 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.144 0 CA-C-N 115.839 -0.619 . . . . 72.51 110.207 -178.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.26 107.82 17.72 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 121.816 0.817 . . . . 60.41 112.186 -174.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.675 HG22 ' H ' ' A' ' 91' ' ' ASN . 9.8 p -100.24 -174.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 106.66 -1.607 . . . . 54.12 106.66 167.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.675 ' H ' HG22 ' A' ' 90' ' ' VAL . 1.3 p-10 -55.72 121.39 9.04 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 118.794 0.725 . . . . 65.1 110.865 175.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.7 t70 75.32 -39.78 0.41 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.286 -1.324 . . . . 72.52 112.693 173.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.4 m -97.13 122.33 40.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 75.41 111.732 -171.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.9 t -118.0 121.4 67.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.962 -0.563 . . . . 63.12 110.077 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.835 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 30.4 m95 -112.72 105.21 13.3 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.677 0.275 . . . . 72.1 110.648 -175.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -80.67 83.76 6.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.422 -0.354 . . . . 74.0 110.262 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.1 mt -84.46 161.21 20.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.118 -0.492 . . . . 72.14 109.909 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.482 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 5.2 ttt180 -157.3 151.93 25.38 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.874 -0.33 . . . . 72.55 110.432 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.712 ' HB3' ' HB3' ' A' ' 84' ' ' CYS . . . -62.53 139.94 58.62 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.39 -0.596 . . . . 62.41 109.39 171.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.8 -66.9 0.65 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.281 -0.418 . . . . 63.42 110.772 -174.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.806 ' HB3' ' HD3' ' A' ' 102' ' ' PRO . 12.4 t70 -171.91 -57.79 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.1 -0.5 . . . . 64.14 110.477 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.806 ' HD3' ' HB3' ' A' ' 101' ' ' ASP . 5.8 Cg_exo -79.49 -46.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.02 1.813 . . . . 73.43 110.652 172.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.478 ' HB3' ' HG3' ' A' ' 107' ' ' GLN . 6.4 m-20 -70.23 123.43 21.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.159 -0.928 . . . . 65.51 110.281 177.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.67 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 30.8 m170 -81.53 163.77 22.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.013 -0.54 . . . . 70.42 110.191 -177.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.757 ' HB2' ' HE2' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -59.07 -25.67 63.96 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 112.143 0.423 . . . . 54.32 112.143 -175.865 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.426 ' HA ' HG12 ' A' ' 109' ' ' ILE . 5.7 pt20 -64.2 -5.62 5.26 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.99 0.367 . . . . 64.1 111.99 -179.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.67 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 12.7 mm100 -51.42 -46.73 63.04 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.109 -0.7 . . . . 70.41 109.109 170.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.718 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 14.1 m95 -68.83 -46.84 67.52 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 115.347 -0.842 . . . . 73.21 109.281 -176.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.426 HG12 ' HA ' ' A' ' 106' ' ' GLN . 23.8 mm -57.49 -60.4 2.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.147 -0.933 . . . . 72.51 110.289 -177.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.8 -51.55 69.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.242 -0.435 . . . . 73.41 110.997 -176.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.11 -57.68 11.52 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.968 0.413 . . . . 72.34 111.031 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 49.8 mt -62.96 -53.07 51.3 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.66 0 CA-C-N 116.412 -0.358 . . . . 71.42 110.942 -176.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -55.73 -36.0 66.77 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.704 0.288 . . . . 72.32 111.599 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -76.85 -30.36 56.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.742 0.306 . . . . 54.13 111.172 177.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.692 ' HB3' ' O ' ' A' ' 49' ' ' ASN . 10.0 m-70 -90.15 -20.26 23.29 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.805 1.039 . . . . 74.51 113.805 -175.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.427 ' H ' ' HG3' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -76.68 159.09 30.51 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.588 0.709 . . . . 43.32 112.221 -176.658 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 46.4 p . . . . . 0 C--O 1.25 1.104 0 CA-C-N 114.803 -1.09 . . . . 62.11 110.543 -177.037 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.414 HG22 ' HD3' ' A' ' 48' ' ' LYS . 39.6 t . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 121.075 0.464 . . . . 60.3 110.021 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.412 ' OE1' ' HA ' ' A' ' 48' ' ' LYS . 4.6 mp0 -97.07 -46.54 6.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.794 -0.639 . . . . 45.32 111.64 -172.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 3.9 tpm_? -141.67 122.95 14.81 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.44 -0.346 . . . . 62.41 110.451 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.2 p -146.52 101.75 3.5 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.26 174.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.96 167.67 39.53 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.63 -0.795 . . . . 50.15 112.363 -176.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.857 HG13 ' HE3' ' A' ' 44' ' ' TRP . 2.9 m -84.79 132.85 30.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.529 0.681 . . . . 72.5 111.74 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.563 HD22 HD13 ' A' ' 97' ' ' LEU . 61.7 tp -110.75 126.72 54.88 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.098 -0.955 . . . . 74.3 109.353 177.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.56 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 14.4 p -85.76 114.9 23.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.939 0.399 . . . . 40.33 110.817 178.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HE3' ' CE3' ' A' ' 33' ' ' TRP . 48.2 tptt -148.19 159.85 43.53 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.742 -0.836 . . . . 61.44 108.742 178.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -61.7 145.04 53.59 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.009 0.433 . . . . 74.21 110.257 -176.54 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.35 -138.83 0.38 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.741 -0.663 . . . . 65.12 109.579 -176.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -84.71 18.63 2.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.264 0.555 . . . . 65.15 110.73 178.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -138.33 137.95 37.87 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.692 -0.855 . . . . 61.24 108.692 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.456 HG23 ' H ' ' A' ' 38' ' ' HIS . 5.7 tp -54.57 -57.25 6.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 112.939 0.718 . . . . 64.53 112.939 -172.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.456 ' H ' HG23 ' A' ' 37' ' ' ILE . 8.3 p80 -95.33 17.05 15.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.462 0.649 . . . . 74.14 109.743 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -97.0 65.83 0.94 Allowed Glycine 0 N--CA 1.442 -0.966 0 CA-C-N 115.384 -0.826 . . . . 70.51 112.04 -178.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 25.8 p90 -74.82 112.37 10.96 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.357 -0.609 . . . . 71.32 109.357 174.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.56 ' O ' ' HA ' ' A' ' 31' ' ' SER . 16.8 mm-40 -109.52 176.29 5.13 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.09 -0.505 . . . . 55.43 110.845 -175.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.627 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 42.2 m-20 -103.96 116.31 32.02 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.115 -0.948 . . . . 73.55 109.878 -178.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.72 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 11.6 ptm180 -107.94 132.52 53.4 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.704 -0.68 . . . . 74.11 109.662 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.857 ' HE3' HG13 ' A' ' 29' ' ' VAL . 68.5 t-105 -81.07 110.1 16.27 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.506 -0.553 . . . . 70.44 109.506 -176.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.601 HG11 HD11 ' A' ' 97' ' ' LEU . 3.0 t -108.65 128.34 64.43 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 CA-C-O 121.21 0.529 . . . . 73.45 111.101 -173.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.574 ' O ' HD12 ' A' ' 52' ' ' LEU . 45.9 t -124.52 125.14 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.238 -0.892 . . . . 72.45 111.082 -178.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.456 HD23 HD13 ' A' ' 52' ' ' LEU . 3.3 tm? -121.9 119.45 31.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.813 -0.63 . . . . 70.44 109.839 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' HD3' HG22 ' A' ' 24' ' ' VAL . 23.2 pttm -174.88 179.66 1.59 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.237 0.335 . . . . 75.11 111.069 175.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 62.68 -75.92 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.45 0.7 . . . . 34.35 111.185 -175.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.449 HD21 ' HB3' ' A' ' 116' ' ' LYS . 3.7 t-20 -179.75 28.72 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 105.811 -1.922 . . . . 71.03 105.811 172.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -139.31 151.35 46.34 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 113.987 -1.46 . . . . 71.01 110.662 -173.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 46' ' ' VAL . 62.5 tp -120.28 132.15 55.2 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.789 -1.096 . . . . 74.41 108.711 177.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.523 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 20.3 m -141.67 135.38 29.84 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.414 -0.357 . . . . 64.34 110.08 -174.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.72 ' HD2' ' HB2' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -127.06 154.7 44.35 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.421 -0.512 . . . . 75.12 110.841 -179.127 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.431 ' CD1' ' HD1' ' A' ' 44' ' ' TRP . 10.1 m-85 -135.02 175.26 9.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.432 -0.803 . . . . 70.3 109.792 -172.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' A' ' 56' ' ' LYS . 3.4 mmpt? -61.85 -53.01 61.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 71.12 111.319 178.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.562 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 69.9 m -154.75 -164.25 1.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.63 -0.259 . . . . 70.45 110.726 -178.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -66.81 -33.64 76.06 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.331 0.493 . . . . 75.24 112.331 -168.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -78.14 53.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 122.184 0.993 . . . . 74.33 109.262 175.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG3' ' H ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -52.73 -20.36 3.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.048 -1.433 . . . . 73.34 113.728 -177.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.7 t -64.77 -45.63 85.56 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.611 0.226 . . . . 74.41 111.611 -178.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -86.96 -24.79 24.62 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.224 0.535 . . . . 64.25 110.393 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 18.5 m-85 -78.31 -23.41 47.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.122 -0.49 . . . . 74.43 111.697 -175.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.36 153.12 3.78 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.998 -0.62 . . . . 70.32 113.211 173.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.4 p -71.92 104.59 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.44 0.638 . . . . 65.15 110.395 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.443 ' HA ' ' HD3' ' A' ' 66' ' ' ARG . 20.4 mmt180 -77.26 -40.62 44.07 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.24 -0.891 . . . . 72.34 110.464 -177.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.523 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -134.98 130.46 5.48 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 110.515 -1.034 . . . . 61.12 110.515 176.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.4 p -144.59 115.28 7.72 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.17 0.509 . . . . 74.12 110.277 -176.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.438 HD13 ' CD1' ' A' ' 95' ' ' TRP . 18.7 pt -121.22 151.42 24.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.898 -0.592 . . . . 72.22 111.654 -177.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 67.7 m -99.35 122.9 43.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.222 -0.899 . . . . 53.24 109.549 178.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.0 HD23 HG12 ' A' ' 112' ' ' ILE . 7.9 mp -85.98 27.24 0.91 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.803 -0.635 . . . . 75.22 111.288 -173.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.8 m -78.38 -28.95 47.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.805 -0.634 . . . . 44.53 110.051 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.72 14.69 3.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.575 -0.739 . . . . 73.42 110.582 -177.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.818 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -71.74 124.85 25.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.763 -0.653 . . . . 74.0 110.743 177.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.8 t -85.39 119.2 33.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.842 -0.617 . . . . 75.12 110.569 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.3 mt -80.68 108.84 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.26 0.552 . . . . 73.22 109.855 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.7 m -113.5 108.02 52.56 Favored Pre-proline 0 C--N 1.316 -0.868 0 CA-C-N 115.423 -0.808 . . . . 73.15 111.175 -174.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -59.9 131.19 38.26 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.047 1.831 . . . . 72.22 110.681 174.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.571 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 32.5 t60 -76.96 153.45 34.58 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.965 -0.694 . . . . 75.53 109.972 -178.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.15 -69.28 0.54 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.99 -0.55 . . . . 74.21 111.113 -172.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -70.62 -34.86 72.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.152 0.501 . . . . 62.4 111.071 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.571 ' H ' ' HD2' ' A' ' 79' ' ' HIS . 7.7 m-20 -98.45 113.68 25.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.016 -0.538 . . . . 73.11 109.884 -177.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -82.35 -27.12 32.36 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.124 0.488 . . . . 65.14 110.903 -176.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 98' ' ' ARG . 20.1 m -86.69 1.2 52.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.342 0.591 . . . . 65.12 109.556 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.837 ' HD2' ' HB3' ' A' ' 96' ' ' TYR . 9.7 tpp180 -104.87 129.35 53.22 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.989 -1.005 . . . . 72.5 111.193 -175.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.517 ' CE1' ' HG3' ' A' ' 105' ' ' ARG . 5.4 m-85 -127.92 125.84 40.35 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.255 -0.884 . . . . 74.32 109.027 174.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.508 ' HA ' ' O ' ' A' ' 95' ' ' TRP . 27.4 t0 -102.21 129.07 48.5 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.023 -0.989 . . . . 64.13 111.002 -173.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.61 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 4.3 mp -104.73 106.77 21.05 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 CA-C-N 114.658 -1.156 . . . . 72.44 109.372 -176.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.8 m -106.74 116.38 31.83 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.434 0.635 . . . . 73.43 111.352 -178.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.818 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 11.5 p -159.16 145.76 7.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 108.554 -0.906 . . . . 62.35 108.554 178.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 12.3 m120 63.94 21.16 12.52 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.456 0.169 . . . . 74.35 111.456 177.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 31.4 t70 72.05 -1.07 3.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.438 0.637 . . . . 54.31 110.669 -172.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.3 m -89.28 128.29 35.85 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 109.659 -0.497 . . . . 63.01 109.659 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.4 t -110.28 122.73 65.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.706 -0.679 . . . . 72.21 110.426 -175.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.666 ' HZ3' ' HB3' ' A' ' 54' ' ' TYR . 44.0 m95 -119.46 101.59 8.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.776 0.322 . . . . 74.44 111.858 -174.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.837 ' HB3' ' HD2' ' A' ' 85' ' ' ARG . 52.6 m-85 -83.83 91.94 7.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.599 -0.273 . . . . 71.42 110.908 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.601 HD11 HG11 ' A' ' 45' ' ' VAL . 4.3 mm? -96.32 159.69 14.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.74 0.305 . . . . 71.11 110.988 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 84' ' ' CYS . 3.2 mtm180 -135.33 149.77 49.82 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.03 -0.359 . . . . 75.3 110.03 176.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.84 142.69 51.24 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.8 -0.444 . . . . 41.01 109.8 175.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.458 ' CD ' ' H ' ' A' ' 100' ' ' GLN . 1.0 OUTLIER -54.41 -56.72 15.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 72.32 110.336 -178.023 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -104.62 138.97 19.66 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 108.805 -0.813 . . . . 62.33 108.805 168.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -26.69 -92.95 0.0 OUTLIER 'Trans proline' 0 CA--C 1.534 0.521 1 C-N-CA 125.698 4.265 . . . . 64.03 116.986 -164.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -100.28 96.57 7.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.795 0.807 . . . . 54.31 112.988 -167.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.405 ' O ' ' CG ' ' A' ' 104' ' ' HIS . 8.3 p-80 -173.29 55.11 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 122.578 1.18 . . . . 75.41 108.352 168.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.517 ' HG3' ' CE1' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -70.1 -2.09 11.9 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 114.797 -1.092 . . . . 73.53 112.435 -171.023 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -53.26 -17.33 1.68 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.424 -0.353 . . . . 75.43 111.836 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -50.83 -52.42 41.46 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.075 0.464 . . . . 74.44 110.338 173.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.437 ' O ' HG13 ' A' ' 112' ' ' ILE . 14.6 m95 -71.91 -42.88 66.21 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.565 -0.743 . . . . 73.11 109.62 -174.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 28.1 mm -58.77 -60.73 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.365 -0.834 . . . . 75.14 109.98 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -54.41 -48.0 72.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.819 -0.628 . . . . 63.13 111.401 -179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.96 -62.29 1.75 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.465 -0.334 . . . . 74.14 110.928 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 1.0 HG12 HD23 ' A' ' 71' ' ' LEU . 26.1 mt -62.88 -50.37 79.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.624 0 C-N-CA 121.049 -0.26 . . . . 75.11 110.859 -175.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.579 ' O ' ' HE2' ' A' ' 116' ' ' LYS . 7.6 mm-40 -55.06 -37.98 67.44 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.848 0.356 . . . . 72.01 111.69 -177.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -85.58 -17.65 35.64 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.811 0.339 . . . . 70.33 111.461 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -91.43 -29.84 16.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.305 0.854 . . . . 72.33 113.305 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.621 ' C ' ' HE3' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -86.24 179.45 6.91 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.436 -0.506 . . . . 73.11 111.439 -176.483 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 C--O 1.251 1.138 0 CA-C-N 115.977 -0.556 . . . . 74.12 110.09 -178.307 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 p . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 121.163 0.506 . . . . 64.4 111.117 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.781 ' HA ' ' O ' ' A' ' 47' ' ' LEU . 9.2 pt-20 -70.67 145.75 50.39 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.911 -1.041 . . . . 71.11 111.103 175.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 2.8 tpm_? -110.16 111.57 22.99 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.428 -0.953 . . . . 55.03 108.428 165.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.619 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 2.3 p -118.8 109.21 15.78 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 123.573 0.546 . . . . 61.43 110.218 -177.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -161.58 161.89 33.51 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.337 -0.935 . . . . 62.33 112.415 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.866 HG13 ' HE3' ' A' ' 44' ' ' TRP . 0.3 OUTLIER -88.18 133.17 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.733 0.778 . . . . 74.54 111.709 179.793 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.44 HD22 HD22 ' A' ' 97' ' ' LEU . 57.6 tp -104.56 119.86 39.95 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.76 -1.109 . . . . 55.12 109.576 177.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.8 m -83.56 98.92 9.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.852 -0.613 . . . . 62.14 109.907 176.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' HE3' ' CD1' ' A' ' 96' ' ' TYR . 25.5 tptp -137.4 137.54 38.93 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.496 -0.557 . . . . 72.25 109.496 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.956 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 43.2 p90 -59.21 126.63 28.47 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.716 0.77 . . . . 75.53 110.342 -177.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.518 ' OG1' ' HB2' ' A' ' 41' ' ' GLN . 54.5 m -118.48 -37.27 3.34 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.684 -1.144 . . . . 71.21 111.474 -167.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.904 ' HB3' ' HB2' ' A' ' 38' ' ' HIS . 25.1 t-20 -142.33 152.81 43.29 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.31 -0.405 . . . . 71.33 110.271 -177.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -55.74 -61.12 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.973 0.416 . . . . 73.5 111.496 -178.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.3 tt -88.32 -2.66 9.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.405 0.621 . . . . 42.23 111.185 -171.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.904 ' HB2' ' HB3' ' A' ' 35' ' ' ASN . 60.3 m-70 -101.43 -20.45 15.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.149 -0.478 . . . . 71.15 111.167 177.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.08 -136.83 20.35 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.718 -0.753 . . . . 72.43 112.193 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.956 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 49.2 p90 -89.24 131.25 35.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.012 0.434 . . . . 72.41 110.307 179.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.518 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 2.0 mp0 -106.22 157.51 17.53 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.806 -0.442 . . . . 64.1 109.806 177.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.443 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 16.1 m-20 -106.49 96.12 6.23 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.507 -0.77 . . . . 72.14 109.335 -178.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.509 ' HB2' ' HD2' ' A' ' 54' ' ' TYR . 16.7 ptp180 -93.37 139.24 30.89 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.413 -0.812 . . . . 75.45 110.387 -175.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.866 ' HE3' HG13 ' A' ' 29' ' ' VAL . 67.3 t-105 -94.05 112.12 23.91 Favored 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.487 -0.485 . . . . 74.1 110.747 -171.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.744 HG21 HD11 ' A' ' 97' ' ' LEU . 17.1 m -105.25 142.78 17.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 120.924 0.393 . . . . 72.42 110.917 -174.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' A' ' 26' ' ' ARG . 52.9 t -131.03 117.04 35.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.491 -0.777 . . . . 61.35 110.804 178.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.781 ' O ' ' HA ' ' A' ' 25' ' ' GLU . 5.7 tt -108.24 105.83 15.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.458 -0.337 . . . . 72.42 110.152 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 49' ' ' ASN . 57.6 tttt -162.3 168.38 22.37 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.814 -0.439 . . . . 63.43 109.814 178.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.4 ' N ' ' HG2' ' A' ' 48' ' ' LYS . 16.6 m120 71.38 -72.63 0.11 Allowed 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 109.17 -0.678 . . . . 62.22 109.17 -172.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.624 ' HA ' ' HB3' ' A' ' 115' ' ' HIS . 3.5 t-20 177.5 23.78 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.207 -1.405 . . . . 75.21 107.207 170.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -133.86 147.14 51.14 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 114.658 -1.155 . . . . 51.13 110.175 -176.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.635 HD13 ' HB2' ' A' ' 47' ' ' LEU . 63.8 tp -109.81 125.56 52.86 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.619 -0.882 . . . . 74.53 108.619 173.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 8.6 m -133.87 131.85 39.65 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.022 -0.535 . . . . 65.32 109.751 -172.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.509 ' HD2' ' HB2' ' A' ' 43' ' ' ARG . 3.6 p90 -116.35 152.91 32.95 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.001 -0.68 . . . . 74.14 111.448 -177.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -122.85 170.53 10.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.073 -0.967 . . . . 75.14 108.877 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 63' ' ' TYR . 3.4 tmtp? -60.28 -43.04 96.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.806 -0.633 . . . . 73.54 110.591 -178.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.635 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 41.2 m -154.72 -178.99 7.59 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.572 -0.285 . . . . 72.34 110.891 -178.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 38.8 tt0 -59.32 -29.43 67.63 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.947 0.721 . . . . 64.33 112.947 -172.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.625 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 12.6 t70 -56.21 -31.61 63.64 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.808 0.299 . . . . 75.52 111.808 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 58' ' ' GLU . 30.6 mt-10 63.22 -65.35 0.1 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.143 0.977 . . . . 73.14 113.387 -177.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.7 t -57.47 -50.01 74.42 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.824 1.046 . . . . 51.33 113.824 -163.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.576 ' HG2' ' OD2' ' A' ' 59' ' ' ASP . 8.1 pt-20 -84.92 1.46 47.18 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.426 -0.51 . . . . 72.22 111.215 -175.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.635 ' CE2' ' HB2' ' A' ' 57' ' ' SER . 38.3 m-85 -104.62 -29.77 10.41 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.193 -0.458 . . . . 74.11 111.046 -179.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.55 162.22 13.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 121.081 -0.58 . . . . 71.1 112.908 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.8 p -76.66 115.73 16.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.289 0.566 . . . . 73.12 109.886 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -88.6 -22.78 23.32 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.683 -0.69 . . . . 65.21 111.261 -174.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -167.41 149.64 15.19 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.498 -0.641 . . . . 43.45 111.498 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.475 ' HA ' ' O ' ' A' ' 52' ' ' LEU . 12.6 p -150.96 127.59 10.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.834 0.35 . . . . 31.54 110.632 -179.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.462 HD13 ' CD1' ' A' ' 95' ' ' TRP . 15.1 pt -118.4 148.87 20.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.242 -0.435 . . . . 75.14 110.908 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.9 m -91.63 117.55 29.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.545 -0.752 . . . . 75.25 110.502 -178.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.776 ' HB3' HG23 ' A' ' 112' ' ' ILE . 4.1 mm? -80.34 68.53 6.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.261 0.553 . . . . 75.31 111.262 -178.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 m -126.08 -62.89 1.14 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.814 -0.63 . . . . 72.25 109.823 176.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 18.46 22.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.098 0.475 . . . . 72.21 110.323 175.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.533 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -76.79 113.71 14.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.641 -0.709 . . . . 60.43 109.287 174.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 49.1 t -76.83 118.89 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.183 -0.462 . . . . 74.42 111.48 -172.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.581 HG23 ' HD2' ' A' ' 86' ' ' PHE . 59.4 mt -84.63 108.37 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.733 -0.667 . . . . 63.22 110.022 177.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.409 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 23.9 m -116.06 105.73 50.59 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 116.416 -0.357 . . . . 74.23 110.295 177.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 77' ' ' THR . 19.6 Cg_endo -58.49 140.36 94.35 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.235 1.956 . . . . 54.14 111.218 177.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.578 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 9.8 t60 -76.91 153.83 34.29 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.637 -0.425 . . . . 74.23 110.155 -174.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -80.69 -45.04 17.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.177 -0.465 . . . . 73.0 111.728 -174.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -85.55 -30.58 23.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.821 0.343 . . . . 73.12 111.243 177.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.774 ' CB ' ' HB3' ' A' ' 85' ' ' ARG . 12.6 m-20 -95.61 114.55 26.32 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.153 -0.314 . . . . 71.13 110.153 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -79.59 -25.81 41.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.958 0.409 . . . . 64.35 110.396 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 37.1 m -91.11 -13.84 32.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.876 -0.602 . . . . 64.44 110.772 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.774 ' HB3' ' CB ' ' A' ' 82' ' ' ASP . 23.9 ttm180 -98.69 146.52 25.79 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.025 0.917 . . . . 75.0 112.123 -173.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.63 ' CE2' HD11 ' A' ' 88' ' ' ILE . 0.4 OUTLIER -131.39 139.97 49.57 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 113.933 -1.485 . . . . 65.24 109.099 176.354 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -102.84 126.75 50.11 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.545 -0.752 . . . . 73.51 109.783 -177.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.829 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 32.2 mm -103.12 109.93 28.26 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 CA-C-N 115.861 -0.609 . . . . 73.11 110.216 179.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.9 p -113.23 105.37 13.35 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.622 0.725 . . . . 61.43 110.798 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.533 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 6.3 p -136.65 120.59 23.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.501 -0.772 . . . . 63.43 110.461 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.41 HD22 ' N ' ' A' ' 91' ' ' ASN . 0.9 OUTLIER 63.2 22.28 13.28 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 111.6 0.222 . . . . 63.43 111.6 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.7 t70 75.35 6.57 4.09 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 123.305 0.642 . . . . 72.41 111.012 -174.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.0 m -84.95 110.96 19.27 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.41 -0.959 . . . . 62.21 108.41 169.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.8 t -104.77 126.26 59.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.243 -0.435 . . . . 74.24 111.184 -172.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.829 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 37.1 m95 -120.3 109.67 15.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.076 -0.511 . . . . 65.11 111.191 -178.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.418 ' CD1' ' HE3' ' A' ' 32' ' ' LYS . 12.0 m-85 -90.83 84.16 5.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.168 -0.469 . . . . 64.24 110.229 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.744 HD11 HG21 ' A' ' 45' ' ' VAL . 2.7 mm? -103.55 157.32 17.13 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.457 -0.497 . . . . 63.22 109.912 -176.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.65 ' HA ' ' HA ' ' A' ' 85' ' ' ARG . 12.9 ttm180 -142.97 144.0 32.17 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 120.527 -0.469 . . . . 63.43 110.825 -174.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.85 174.11 8.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.847 -0.615 . . . . 63.15 110.339 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -89.04 -11.26 44.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.076 -0.511 . . . . 64.0 110.4 -178.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.882 ' HB2' ' HB2' ' A' ' 104' ' ' HIS . 22.3 m-20 -140.9 148.34 51.94 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.908 -0.587 . . . . 62.12 109.954 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -65.92 -42.48 11.33 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.603 2.202 . . . . 73.44 111.28 177.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -77.66 -18.06 57.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.55 -0.75 . . . . 64.32 110.779 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.882 ' HB2' ' HB2' ' A' ' 101' ' ' ASP . 32.5 m170 -95.79 26.6 3.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.984 0.421 . . . . 71.31 111.101 -178.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -66.44 -22.46 66.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.63 0.728 . . . . 65.33 109.585 171.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -54.92 -19.37 6.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.755 -1.111 . . . . 72.13 112.325 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.72 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 8.6 mm100 -54.29 -41.64 69.15 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.024 0.44 . . . . 60.43 109.926 178.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 26' ' ' ARG . 17.0 m95 -73.07 -43.58 61.71 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.468 -0.787 . . . . 73.23 109.92 -175.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.7 mm -60.73 -56.71 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 114.773 -1.103 . . . . 73.35 109.776 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -57.12 -46.96 82.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.77 -0.65 . . . . 74.01 111.112 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.06 -64.58 0.78 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.269 -0.423 . . . . 71.22 110.716 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.776 HG23 ' HB3' ' A' ' 71' ' ' LEU . 29.2 mt -62.24 -49.02 85.71 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 CA-C-N 116.586 -0.279 . . . . 65.11 110.82 -175.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.602 ' HA ' ' HE2' ' A' ' 116' ' ' LYS . 22.6 mm-40 -55.12 -34.24 63.54 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.298 0.481 . . . . 72.32 112.298 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -89.33 -15.3 33.74 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.858 0.361 . . . . 73.42 111.185 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.624 ' HB3' ' HA ' ' A' ' 50' ' ' ASN . 11.5 m-70 -90.73 -35.57 14.81 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.833 0.679 . . . . 73.11 112.833 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.752 ' HG3' ' O ' ' A' ' 112' ' ' ILE . 0.0 OUTLIER -88.55 159.92 17.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.503 0.668 . . . . 75.51 111.984 -174.604 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.245 0.828 0 CA-C-N 115.001 -1.0 . . . . 63.21 110.149 -173.908 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.601 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 4.4 m . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 110.082 -0.34 . . . . 72.13 110.082 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.57 -55.16 6.67 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.531 -0.468 . . . . 74.5 110.491 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.59 118.4 36.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.95 -0.568 . . . . 65.34 110.449 -175.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.415 ' HB3' HG21 ' A' ' 24' ' ' VAL . 12.4 p -138.67 119.63 14.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.059 -0.519 . . . . 54.22 109.75 175.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -173.56 171.24 44.34 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 119.785 -1.198 . . . . 73.11 112.886 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.576 HG13 ' HE3' ' A' ' 44' ' ' TRP . 0.9 OUTLIER -89.61 134.72 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.664 0.745 . . . . 74.45 111.8 -179.452 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.432 HD23 ' HE ' ' A' ' 43' ' ' ARG . 61.1 tp -110.57 107.36 16.94 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.889 -1.05 . . . . 74.52 108.739 174.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.3 m -78.85 100.95 7.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.912 -0.585 . . . . 75.52 109.739 178.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -149.87 166.14 30.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.026 -0.534 . . . . 75.24 109.79 -176.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.554 ' HA ' ' HA ' ' A' ' 40' ' ' TRP . 3.6 m-90 -62.67 125.49 24.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.329 -0.396 . . . . 73.32 110.909 -177.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.5 p -109.61 -19.12 13.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.973 -0.558 . . . . 75.52 111.301 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -134.33 -51.38 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.418 . . . . 54.2 110.887 -177.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.402 ' CE1' ' HA3' ' A' ' 39' ' ' GLY . 3.0 p90 -146.9 171.96 14.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.089 -0.505 . . . . 71.02 109.999 -177.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.4 mm -70.53 -22.71 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 121.138 0.494 . . . . 75.24 111.71 -172.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -97.3 9.42 42.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.937 0.399 . . . . 74.52 110.396 173.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' HA3' ' CE1' ' A' ' 36' ' ' TYR . . . -126.46 74.63 0.42 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.926 -0.654 . . . . 74.43 112.429 -176.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.554 ' HA ' ' HA ' ' A' ' 33' ' ' TRP . 62.1 p-90 -93.77 139.51 30.76 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.904 0.383 . . . . 73.11 110.166 177.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -129.23 163.09 26.38 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.102 -0.499 . . . . 62.14 109.816 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.43 ' HB2' ' HB ' ' A' ' 29' ' ' VAL . 13.8 p-10 -96.75 106.19 18.44 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.684 0.754 . . . . 34.2 109.51 176.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.432 ' HE ' HD23 ' A' ' 30' ' ' LEU . 38.2 ptt180 -102.51 148.92 24.94 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.414 -0.812 . . . . 71.34 109.753 -177.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.576 ' HE3' HG13 ' A' ' 29' ' ' VAL . 65.8 t-105 -93.15 110.59 22.09 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 120.09 -0.644 . . . . 73.24 110.369 -172.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.9 m -103.19 141.49 18.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 121.285 0.564 . . . . 51.15 110.421 -176.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.533 ' O ' HD12 ' A' ' 52' ' ' LEU . 10.7 t -138.65 132.54 40.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.049 -0.978 . . . . 72.11 110.978 -173.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.2 tt -123.02 124.75 43.84 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.465 -0.568 . . . . 74.23 109.465 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.601 ' HD3' ' HA ' ' A' ' 24' ' ' VAL . 23.9 tptm -168.61 142.66 3.16 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 123.412 0.445 . . . . 62.41 110.414 178.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 59.69 27.51 16.78 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 122.835 0.454 . . . . 74.32 112.052 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.82 ' HB2' ' HB3' ' A' ' 115' ' ' HIS . 10.5 t-20 72.01 13.57 5.9 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.753 0.787 . . . . 74.21 110.319 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -112.67 127.27 56.07 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.506 -0.77 . . . . 62.54 109.392 174.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.69 HD23 HD11 ' A' ' 69' ' ' ILE . 46.4 tp -106.91 132.75 52.51 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.66 -0.867 . . . . 73.45 108.66 176.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.4 m -142.64 162.91 34.25 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 116.309 -0.405 . . . . 75.53 110.067 -174.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 95' ' ' TRP . 3.1 p90 -145.41 156.2 43.62 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.447 -0.501 . . . . 74.32 110.058 175.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -126.36 169.62 12.76 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.839 -0.8 . . . . 52.22 108.839 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . 2.9 mmmp? -56.8 -49.06 76.49 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 123.16 0.287 . . . . 52.32 111.734 -178.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.552 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 22.9 t -152.77 -169.04 3.22 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.768 -0.456 . . . . 74.32 109.768 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 35.9 tt0 -59.8 -33.32 71.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 123.306 0.642 . . . . 63.35 112.416 -172.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -81.73 46.86 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.47 0.652 . . . . 64.1 110.519 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -37.76 -35.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 114.48 1.289 . . . . 72.35 114.48 179.37 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.0 t -56.54 -36.36 69.15 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.37 0.507 . . . . 74.21 112.37 -177.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -95.53 -9.5 32.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.336 . . . . 74.15 111.06 -178.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.552 ' CE2' ' HB3' ' A' ' 57' ' ' SER . 30.4 m-85 -94.75 -40.18 9.9 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.189 0.44 . . . . 64.11 112.189 -174.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.4 156.59 22.48 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.355 -0.926 . . . . 63.54 111.858 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.1 p -67.03 111.71 3.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.334 0.588 . . . . 75.2 111.383 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.496 ' HA ' ' HD2' ' A' ' 66' ' ' ARG . 9.9 mmm180 -71.28 -53.45 14.23 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-N 115.158 -0.928 . . . . 73.51 110.845 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -136.41 138.61 9.99 Favored Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 114.579 -1.191 . . . . 71.14 111.417 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 m -133.35 119.53 19.83 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.254 -0.276 . . . . 74.4 110.254 -177.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.69 HD11 HD23 ' A' ' 52' ' ' LEU . 15.9 pt -121.59 143.67 33.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.073 0.464 . . . . 63.11 110.727 177.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 65.0 m -96.83 129.58 44.24 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.776 -0.647 . . . . 44.14 110.035 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.086 HD13 HG12 ' A' ' 112' ' ' ILE . 86.0 mt -80.89 24.22 0.51 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.571 -0.741 . . . . 64.13 111.393 -175.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.7 m -80.21 -33.39 38.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.044 -0.525 . . . . 41.44 111.062 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.65 12.68 3.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 73.51 110.962 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.676 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . . . -69.76 126.61 30.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.178 -0.465 . . . . 72.51 110.252 177.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.3 t -86.59 111.97 22.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.135 0.493 . . . . 63.43 110.94 -175.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.1 mt -74.02 102.64 2.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.614 -0.721 . . . . 64.43 109.562 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.52 ' HB ' ' HB2' ' A' ' 87' ' ' ASP . 12.5 m -96.01 109.57 47.45 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.192 -0.458 . . . . 74.25 111.025 -177.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.85 116.28 4.38 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.407 2.071 . . . . 64.31 111.586 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -78.15 139.39 38.99 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.671 -0.492 . . . . 65.55 109.671 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -89.35 -44.09 10.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.867 0.365 . . . . 74.3 111.069 -176.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -73.73 -12.42 60.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.106 -0.497 . . . . 73.34 110.823 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.657 ' HB2' ' HB3' ' A' ' 85' ' ' ARG . 31.7 m-20 -129.03 107.19 9.4 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.273 -0.64 . . . . 74.03 109.273 177.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.55 -20.76 59.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.912 0.387 . . . . 65.42 111.41 -173.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 19.7 m -98.16 1.27 47.28 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.466 -0.334 . . . . 65.02 110.869 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.657 ' HB3' ' HB2' ' A' ' 82' ' ' ASP . 67.4 ttt180 -108.59 148.47 30.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 122.022 0.915 . . . . 71.33 113.23 -167.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -139.32 126.86 21.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.711 -1.586 . . . . 72.12 109.756 175.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.52 ' HB2' ' HB ' ' A' ' 77' ' ' THR . 18.9 m-20 -95.53 108.15 20.37 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.868 -0.419 . . . . 73.52 109.868 177.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.64 ' HB ' ' HB2' ' A' ' 95' ' ' TRP . 34.9 mm -83.93 96.65 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 110.032 -0.359 . . . . 71.2 110.032 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.464 ' HA ' ' HA ' ' A' ' 94' ' ' VAL . 5.9 p -103.37 112.59 25.54 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.315 0.579 . . . . 54.22 111.803 -175.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.676 ' HB ' ' HA ' ' A' ' 74' ' ' ALA . 7.7 p -141.93 128.27 19.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.636 -0.711 . . . . 65.01 110.074 177.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.497 ' O ' ' HB3' ' A' ' 92' ' ' ASP . 0.9 OUTLIER 60.31 33.01 20.89 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 111.587 0.217 . . . . 62.44 111.587 176.809 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.497 ' HB3' ' O ' ' A' ' 91' ' ' ASN . 26.4 t70 76.06 -8.95 1.53 Allowed 'General case' 0 C--N 1.319 -0.751 0 O-C-N 123.896 0.748 . . . . 74.44 111.824 -177.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.0 m -85.25 101.93 12.92 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.479 -0.563 . . . . 64.11 109.479 175.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 89' ' ' SER . 4.2 p -99.69 122.74 51.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.469 0.652 . . . . 73.54 110.734 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.64 ' HB2' ' HB ' ' A' ' 88' ' ' ILE . 22.2 m95 -106.03 105.53 15.6 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.769 -0.65 . . . . 72.14 110.245 -176.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.19 89.73 4.28 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.83 -0.623 . . . . 53.33 110.11 -179.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.6 mt -100.55 149.85 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.854 0.359 . . . . 55.33 110.461 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.636 ' HG3' ' HB2' ' A' ' 85' ' ' ARG . 14.5 ttm-85 -137.27 147.47 45.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.907 -0.405 . . . . 74.43 109.907 177.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.73 161.72 30.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.136 0.493 . . . . 72.12 111.118 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.69 ' H ' ' NE2' ' A' ' 100' ' ' GLN . 0.9 OUTLIER -88.57 14.23 10.38 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.566 -0.743 . . . . 74.34 111.512 -176.348 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.634 ' HB2' ' HD2' ' A' ' 102' ' ' PRO . 6.8 p-10 -167.16 175.28 2.15 Favored Pre-proline 0 CA--C 1.535 0.377 0 N-CA-C 109.457 -0.572 . . . . 54.22 109.457 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.634 ' HD2' ' HB2' ' A' ' 101' ' ' ASP . 85.9 Cg_exo -48.28 -37.46 31.94 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 123.135 2.557 . . . . 72.25 113.845 -178.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -130.89 -145.26 0.27 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.044 -0.354 . . . . 74.03 110.044 178.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.637 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 56.9 m80 61.76 25.6 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.025 0.44 . . . . 64.03 110.889 -178.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.674 ' H ' ' HD3' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -73.5 -16.24 61.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.776 0.798 . . . . 75.13 109.126 174.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.486 ' HA ' HG12 ' A' ' 109' ' ' ILE . 14.1 pt20 -60.5 -6.25 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.131 -0.94 . . . . 70.41 111.545 174.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.637 ' HG2' ' O ' ' A' ' 104' ' ' HIS . 14.4 mm100 -50.78 -44.33 58.74 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.031 0.443 . . . . 64.12 109.873 170.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.4 ' O ' HG13 ' A' ' 112' ' ' ILE . 14.0 m95 -70.63 -41.78 71.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.693 -0.685 . . . . 75.12 109.408 -177.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.486 HG12 ' HA ' ' A' ' 106' ' ' GLN . 25.4 mm -60.02 -54.77 30.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.619 -0.718 . . . . 74.53 110.313 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 114' ' ' GLN . 21.0 t70 -58.36 -49.07 78.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.548 -0.751 . . . . 73.32 111.019 -178.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.49 -54.44 40.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.268 0.556 . . . . 70.44 111.014 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 1.086 HG12 HD13 ' A' ' 71' ' ' LEU . 66.0 mt -66.99 -49.15 76.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.074 -0.512 . . . . 75.25 111.49 -175.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.511 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 46.5 mm-40 -62.31 -34.1 75.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.723 0.297 . . . . 74.33 111.595 -178.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 110' ' ' ASP . 2.9 mp0 -81.64 -21.45 38.21 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.924 -0.31 . . . . 71.25 111.058 178.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.82 ' HB3' ' HB2' ' A' ' 50' ' ' ASN . 25.0 m-70 -98.08 -0.62 44.15 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.771 0.656 . . . . 71.45 112.771 177.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.96 ' HE2' ' HA ' ' A' ' 116' ' ' LYS . 7.5 mmpt? -35.49 126.84 0.63 Allowed 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.528 0.936 . . . . 74.32 113.528 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.247 0.97 0 CA-C-N 114.25 -1.341 . . . . 71.22 109.096 -178.718 . . . . . . . . 0 0 . 1 stop_ save_