data_1p0r_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 1p0r _Structure_validation_residue.Date_analyzed 2016-10-07 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 full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 tpt . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 120.758 0.314 . . . . 1.5700000000000001 110.656 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.47 ' HB ' ' HA ' ' A' ' 19' ' ' ASN . 6.4 mt -144.04 115.81 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.009 0.433 . . . . 1.48 111.552 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.404 ' HG2' ' HA2' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -91.64 141.74 28.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.142 -0.481 . . . . 2.1899999999999999 110.419 179.283 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.7 m -139.45 115.27 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.21 -0.45 . . . . 1.48 111.189 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.2 t -84.33 122.94 38.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.073 -0.512 . . . . 1.3100000000000001 110.931 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.445 ' SG ' HD22 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -94.39 87.28 5.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.971 -0.559 . . . . 1.75 111.081 -179.809 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.75 114.65 11.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.048 -0.523 . . . . 2.4100000000000001 110.389 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.48 92.13 7.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.073 0.463 . . . . 1.98 109.981 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -54.38 -30.85 53.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.49 -0.777 . . . . 3.0 110.959 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.74 -44.8 70.23 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-N 116.36 -0.382 . . . . 2.9100000000000001 110.399 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.43 59.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 1.6499999999999999 112.733 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -174.53 168.36 3.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.724 0.297 . . . . 2.8700000000000001 111.052 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.67 113.01 11.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 1.72 110.467 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.1 t -131.92 105.13 9.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.36 -0.382 . . . . 1.5 111.152 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -81.52 145.2 30.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.444 -0.344 . . . . 2.8900000000000001 110.642 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -124.19 161.78 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.976 0.417 . . . . 1.3799999999999999 111.243 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -131.64 122.75 26.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.816 -0.629 . . . . 3.0600000000000001 110.428 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.8 p -145.96 -149.45 0.28 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.188 -0.46 . . . . 2.3599999999999999 110.507 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.47 ' HA ' ' HB ' ' A' ' 2' ' ' ILE . 3.2 p30 -162.09 162.4 28.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 1.8899999999999999 110.63 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.425 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -52.78 -44.37 66.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 1.1799999999999999 111.051 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.51 -34.37 61.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.266 -0.424 . . . . 1.6100000000000001 111.375 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.1 161.44 6.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.752 0.311 . . . . 1.24 110.863 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 p -116.34 175.65 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.408 -0.36 . . . . 1.3799999999999999 111.124 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.557 HG12 ' CG2' ' A' ' 55' ' ' VAL . 14.8 mm -65.62 -45.21 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.237 -0.438 . . . . 1.1899999999999999 111.199 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.94 -41.46 91.96 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.612 -0.804 . . . . 0.34999999999999998 111.88 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.17 -46.89 82.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 1.51 110.303 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mt -58.12 -44.26 87.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.015 -0.539 . . . . 1.2 111.007 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.54 -41.55 81.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.415 . . . . 1.51 110.305 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' HD3' ' HA ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -71.77 -30.71 65.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.939 -0.573 . . . . 2.5099999999999998 111.179 179.64 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 mp -56.28 -47.97 77.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.81 0.338 . . . . 1.73 110.836 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mp -80.44 -45.37 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 1.3200000000000001 111.396 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.68 74.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 1.1000000000000001 111.225 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.11 42.19 1.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.326 -0.397 . . . . 1.3 110.977 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -151.91 -57.56 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.006 -0.543 . . . . 2.3700000000000001 110.106 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.8 p -97.92 -23.66 15.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.715 -0.675 . . . . 1.76 111.143 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.45 54.83 3.61 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.684 -0.769 . . . . 1.21 112.314 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.58 ' HB ' ' CE1' ' A' ' 72' ' ' TYR . 27.5 p -115.65 20.12 14.86 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.931 0.345 . . . . 1.8700000000000001 111.931 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 63.42 176.71 0.16 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 121.184 0.516 . . . . 2.8999999999999999 111.499 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.401 ' HA ' HG21 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -134.97 15.6 3.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.818 -0.628 . . . . 3.5499999999999998 111.038 179.684 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.96 -58.28 1.82 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.857 0.36 . . . . 2.1699999999999999 110.344 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -67.55 -31.41 71.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.083 -0.508 . . . . 3.2000000000000002 110.478 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.467 HD11 HD22 ' A' ' 70' ' ' LEU . 7.3 tt -61.55 135.23 26.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.998 -0.546 . . . . 1.29 110.817 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.1 t -102.09 88.13 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 1.9199999999999999 111.326 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.445 HD22 ' SG ' ' A' ' 6' ' ' CYS . 4.8 mt -95.83 94.57 7.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 1.6000000000000001 110.505 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -138.04 121.04 16.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 2.9100000000000001 111.582 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 47' ' ' TRP . 7.8 tmtt? -78.14 106.4 10.01 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.466 -0.568 . . . . 2.5499999999999998 109.466 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.46 ' HB2' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER 74.82 -64.4 0.38 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.024 -0.534 . . . . 3.5 110.205 -178.59 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 171.94 67.09 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.218 0.532 . . . . 2.5899999999999999 110.388 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 m -136.17 134.47 38.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.694 -0.685 . . . . 1.1299999999999999 110.814 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 tp -70.24 108.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.049 0.452 . . . . 1.3100000000000001 111.062 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.47 ' HB3' HG22 ' A' ' 24' ' ' ILE . 5.4 m-30 -83.04 99.81 10.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.915 -0.584 . . . . 2.2200000000000002 110.593 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.404 ' HG3' HG13 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -97.83 141.0 31.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 2.7400000000000002 110.776 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.53 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 13.2 t0 -53.94 -34.95 61.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 2.4199999999999999 112.096 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -74.64 60.42 0.9 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.796 0.295 . . . . 2.52 111.796 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.557 ' CG2' HG12 ' A' ' 24' ' ' ILE . 19.0 m -157.3 -174.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.396 -0.365 . . . . 2.3999999999999999 110.674 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.37 61.3 0.69 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.343 -0.39 . . . . 1.6699999999999999 110.933 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.431 ' HA ' ' CE2' ' A' ' 60' ' ' TYR . 8.6 mp 46.43 66.58 0.93 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.228 -0.442 . . . . 1.28 110.967 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.03 -43.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.67 -0.776 . . . . 0.76000000000000001 112.656 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -26.07 66.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.724 0.297 . . . . 1.8400000000000001 111.158 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.465 ' CE2' HG13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -109.92 25.46 11.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.526 -0.306 . . . . 1.1200000000000001 111.268 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 51.7 84.45 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.897 0.379 . . . . 2.7400000000000002 111.618 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.465 HG13 ' CE2' ' A' ' 60' ' ' TYR . 20.5 mm -108.51 141.11 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 2.0299999999999998 111.451 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.1 161.18 31.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.915 -0.584 . . . . 3.7400000000000002 110.439 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.419 ' HA ' ' HA ' ' A' ' 2' ' ' ILE . 15.8 p-10 -77.98 73.31 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.198 0.523 . . . . 2.29 111.062 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.404 ' HA2' ' HG2' ' A' ' 3' ' ' GLU . . . 132.36 73.51 0.1 OUTLIER Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.848 -0.691 . . . . 1.3100000000000001 112.316 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.9 163.94 31.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 1.8 111.021 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -104.21 148.84 25.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 3.0600000000000001 110.908 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.402 HD21 ' HB2' ' A' ' 46' ' ' LYS . 4.8 mp -131.17 143.75 50.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 1.4199999999999999 110.819 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 71' ' ' TYR . 4.2 mt-10 -79.71 130.23 35.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.894 0.378 . . . . 1.8600000000000001 110.63 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.507 HD22 ' CE1' ' A' ' 72' ' ' TYR . 1.9 tt -125.54 99.24 5.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.03 -0.532 . . . . 1.6899999999999999 110.933 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 69' ' ' GLU . 14.7 m-85 -99.08 130.59 45.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 2.2200000000000002 110.699 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.58 ' CE1' ' HB ' ' A' ' 37' ' ' THR . 19.8 m-85 -105.18 124.71 50.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.392 -0.367 . . . . 3.2599999999999998 110.87 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.41 -0.805 . . . . 4.8099999999999996 110.6 179.716 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 tpt . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 120.758 0.314 . . . . 1.1699999999999999 110.656 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.647 HD13 HG22 ' A' ' 62' ' ' ILE . 6.4 mt -144.04 115.81 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.009 0.433 . . . . 0.71999999999999997 111.552 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.402 ' HG2' ' HA2' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -91.64 141.74 28.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.142 -0.481 . . . . 2.1899999999999999 110.419 179.283 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.7 m -139.45 115.27 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.21 -0.45 . . . . 0.83999999999999997 111.189 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.453 HG13 ' HG2' ' A' ' 15' ' ' ARG . 16.2 t -84.33 122.94 38.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.073 -0.512 . . . . 0.65000000000000002 110.931 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.627 ' SG ' HD21 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -94.39 87.28 5.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.971 -0.559 . . . . 1.4199999999999999 111.081 -179.809 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.75 114.65 11.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.048 -0.523 . . . . 1.8500000000000001 110.389 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.48 92.13 7.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.073 0.463 . . . . 1.98 109.981 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -54.38 -30.85 53.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.49 -0.777 . . . . 2.3799999999999999 110.959 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.74 -44.8 70.23 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-N 116.36 -0.382 . . . . 2.2000000000000002 110.399 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.43 59.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 1.1699999999999999 112.733 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -174.53 168.36 3.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.724 0.297 . . . . 2.3399999999999999 111.052 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.67 113.01 11.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 1.25 110.467 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.1 t -131.92 105.13 9.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.36 -0.382 . . . . 0.83999999999999997 111.152 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.453 ' HG2' HG13 ' A' ' 5' ' ' VAL . 2.7 mtt180 -81.52 145.2 30.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.444 -0.344 . . . . 2.2400000000000002 110.642 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.435 HG12 HD23 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -124.19 161.78 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.976 0.417 . . . . 0.71999999999999997 111.243 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -131.64 122.75 26.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.816 -0.629 . . . . 2.5099999999999998 110.428 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.47 ' SG ' HD21 ' A' ' 27' ' ' LEU . 20.8 p -145.96 -149.45 0.28 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.188 -0.46 . . . . 1.51 110.507 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.485 ' HA ' ' HB ' ' A' ' 2' ' ' ILE . 3.2 p30 -162.09 162.4 28.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 1.22 110.63 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.431 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -52.78 -44.37 66.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 0.57999999999999996 111.051 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.51 -34.37 61.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.266 -0.424 . . . . 1.6100000000000001 111.375 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.1 161.44 6.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.752 0.311 . . . . 1.24 110.863 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 p -116.34 175.65 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.408 -0.36 . . . . 0.67000000000000004 111.124 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.601 HD11 ' CZ ' ' A' ' 60' ' ' TYR . 14.8 mm -65.62 -45.21 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.237 -0.438 . . . . 0.5 111.199 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.94 -41.46 91.96 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.612 -0.804 . . . . 0.29999999999999999 111.88 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.17 -46.89 82.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 1.51 110.303 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.513 HD11 HD11 ' A' ' 57' ' ' LEU . 1.4 mt -58.12 -44.26 87.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.015 -0.539 . . . . 0.5 111.007 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.54 -41.55 81.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.305 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -71.77 -30.71 65.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.939 -0.573 . . . . 1.98 111.179 179.64 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.435 HD23 HG12 ' A' ' 16' ' ' VAL . 1.7 mp -56.28 -47.97 77.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.81 0.338 . . . . 1.1200000000000001 110.836 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.561 HD13 HD11 ' A' ' 44' ' ' LEU . 3.0 mp -80.44 -45.37 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.56000000000000005 111.396 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.68 74.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 0.62 111.225 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.11 42.19 1.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.326 -0.397 . . . . 0.96999999999999997 110.977 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -151.91 -57.56 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.006 -0.543 . . . . 1.96 110.106 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.8 p -97.92 -23.66 15.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.715 -0.675 . . . . 1.6599999999999999 111.143 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.45 54.83 3.61 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.684 -0.769 . . . . 0.69999999999999996 112.314 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.587 ' HB ' ' CE1' ' A' ' 72' ' ' TYR . 27.5 p -115.65 20.12 14.86 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.931 0.345 . . . . 1.8700000000000001 111.931 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 63.42 176.71 0.16 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 121.184 0.516 . . . . 2.29 111.499 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -134.97 15.6 3.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.818 -0.628 . . . . 2.7599999999999998 111.038 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.96 -58.28 1.82 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.857 0.36 . . . . 2.1400000000000001 110.344 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -67.55 -31.41 71.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.083 -0.508 . . . . 2.54 110.478 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.619 HG13 HD21 ' A' ' 70' ' ' LEU . 7.3 tt -61.55 135.23 26.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.998 -0.546 . . . . 0.65000000000000002 110.817 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.1 t -102.09 88.13 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 1.3400000000000001 111.326 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.627 HD21 ' SG ' ' A' ' 6' ' ' CYS . 4.8 mt -95.83 94.57 7.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 0.96999999999999997 110.505 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -138.04 121.04 16.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 2.29 111.582 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 47' ' ' TRP . 7.8 tmtt? -78.14 106.4 10.01 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.466 -0.568 . . . . 2.1400000000000001 109.466 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.481 ' HB2' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER 74.82 -64.4 0.38 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.024 -0.534 . . . . 2.6600000000000001 110.205 -178.59 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 171.94 67.09 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.218 0.532 . . . . 1.8200000000000001 110.388 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.452 HG21 ' HB3' ' A' ' 60' ' ' TYR . 2.6 m -136.17 134.47 38.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.694 -0.685 . . . . 0.53000000000000003 110.814 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 50' ' ' ILE . 2.7 tp -70.24 108.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.049 0.452 . . . . 0.68999999999999995 111.062 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.593 ' HB3' HD12 ' A' ' 24' ' ' ILE . 5.4 m-30 -83.04 99.81 10.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.915 -0.584 . . . . 1.3999999999999999 110.593 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.659 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -97.83 141.0 31.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 2.2400000000000002 110.776 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.556 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 13.2 t0 -53.94 -34.95 61.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 2.4199999999999999 112.096 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -74.64 60.42 0.9 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.796 0.295 . . . . 1.9199999999999999 111.796 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.845 HG21 ' HE1' ' A' ' 60' ' ' TYR . 19.0 m -157.3 -174.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.396 -0.365 . . . . 1.8400000000000001 110.674 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.37 61.3 0.69 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.343 -0.39 . . . . 1.3300000000000001 110.933 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.925 HD23 HG21 ' A' ' 62' ' ' ILE . 8.6 mp 46.43 66.58 0.93 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.228 -0.442 . . . . 0.68000000000000005 110.967 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.03 -43.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.67 -0.776 . . . . 0.76000000000000001 112.656 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -26.07 66.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.724 0.297 . . . . 1.8400000000000001 111.158 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.845 ' HE1' HG21 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -109.92 25.46 11.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.526 -0.306 . . . . 1.0900000000000001 111.268 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 51.7 84.45 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.897 0.379 . . . . 2.7400000000000002 111.618 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.925 HG21 HD23 ' A' ' 57' ' ' LEU . 20.5 mm -108.51 141.11 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 1.1599999999999999 111.451 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.442 ' O ' HG23 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -130.1 161.18 31.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.915 -0.584 . . . . 2.8700000000000001 110.439 179.587 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 2' ' ' ILE . 15.8 p-10 -77.98 73.31 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.198 0.523 . . . . 2.29 111.062 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.402 ' HA2' ' HG2' ' A' ' 3' ' ' GLU . . . 132.36 73.51 0.1 OUTLIER Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.848 -0.691 . . . . 1.3100000000000001 112.316 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.9 163.94 31.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 1.72 111.021 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -104.21 148.84 25.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 2.5 110.908 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 68' ' ' LEU . 4.8 mp -131.17 143.75 50.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.81000000000000005 110.819 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 71' ' ' TYR . 4.2 mt-10 -79.71 130.23 35.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.894 0.378 . . . . 1.8600000000000001 110.63 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.619 HD21 HG13 ' A' ' 42' ' ' ILE . 1.9 tt -125.54 99.24 5.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.03 -0.532 . . . . 1.0600000000000001 110.933 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 69' ' ' GLU . 14.7 m-85 -99.08 130.59 45.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 1.3200000000000001 110.699 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.587 ' CE1' ' HB ' ' A' ' 37' ' ' THR . 19.8 m-85 -105.18 124.71 50.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.392 -0.367 . . . . 2.9199999999999999 110.87 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.41 -0.805 . . . . 4.0899999999999999 110.6 179.716 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 tpt . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 120.758 0.314 . . . . 1.1699999999999999 110.656 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.647 HD13 HG22 ' A' ' 62' ' ' ILE . 6.4 mt -144.04 115.81 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.009 0.433 . . . . 0.71999999999999997 111.552 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.402 ' HG2' ' HA2' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -91.64 141.74 28.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.142 -0.481 . . . . 2.1899999999999999 110.419 179.283 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.7 m -139.45 115.27 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.21 -0.45 . . . . 0.83999999999999997 111.189 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.453 HG13 ' HG2' ' A' ' 15' ' ' ARG . 16.2 t -84.33 122.94 38.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.073 -0.512 . . . . 0.65000000000000002 110.931 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.627 ' SG ' HD21 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -94.39 87.28 5.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.971 -0.559 . . . . 1.4199999999999999 111.081 -179.809 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.75 114.65 11.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.048 -0.523 . . . . 1.8500000000000001 110.389 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.48 92.13 7.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.073 0.463 . . . . 1.98 109.981 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -54.38 -30.85 53.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.49 -0.777 . . . . 2.3799999999999999 110.959 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.74 -44.8 70.23 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-N 116.36 -0.382 . . . . 2.2000000000000002 110.399 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.43 59.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 1.1699999999999999 112.733 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -174.53 168.36 3.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.724 0.297 . . . . 2.3399999999999999 111.052 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.67 113.01 11.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.247 -0.433 . . . . 1.25 110.467 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.1 t -131.92 105.13 9.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.36 -0.382 . . . . 0.83999999999999997 111.152 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.453 ' HG2' HG13 ' A' ' 5' ' ' VAL . 2.7 mtt180 -81.52 145.2 30.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.444 -0.344 . . . . 2.2400000000000002 110.642 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.435 HG12 HD23 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -124.19 161.78 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.976 0.417 . . . . 0.71999999999999997 111.243 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -131.64 122.75 26.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.816 -0.629 . . . . 2.5099999999999998 110.428 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.47 ' SG ' HD21 ' A' ' 27' ' ' LEU . 20.8 p -145.96 -149.45 0.28 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.188 -0.46 . . . . 1.51 110.507 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.485 ' HA ' ' HB ' ' A' ' 2' ' ' ILE . 3.2 p30 -162.09 162.4 28.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 1.22 110.63 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.431 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 0.5 OUTLIER -52.78 -44.37 66.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.05 -0.523 . . . . 0.57999999999999996 111.051 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.51 -34.37 61.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.266 -0.424 . . . . 1.6100000000000001 111.375 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.1 161.44 6.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.752 0.311 . . . . 1.24 110.863 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 p -116.34 175.65 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.408 -0.36 . . . . 0.67000000000000004 111.124 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.601 HD11 ' CZ ' ' A' ' 60' ' ' TYR . 14.8 mm -65.62 -45.21 92.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.237 -0.438 . . . . 0.5 111.199 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.94 -41.46 91.96 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.612 -0.804 . . . . 0.29999999999999999 111.88 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -64.17 -46.89 82.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 1.51 110.303 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.513 HD11 HD11 ' A' ' 57' ' ' LEU . 1.4 mt -58.12 -44.26 87.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.015 -0.539 . . . . 0.5 111.007 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.54 -41.55 81.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.305 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -71.77 -30.71 65.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.939 -0.573 . . . . 1.98 111.179 179.64 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.435 HD23 HG12 ' A' ' 16' ' ' VAL . 1.7 mp -56.28 -47.97 77.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.81 0.338 . . . . 1.1200000000000001 110.836 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.561 HD13 HD11 ' A' ' 44' ' ' LEU . 3.0 mp -80.44 -45.37 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.56000000000000005 111.396 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.68 74.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 0.62 111.225 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.11 42.19 1.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.326 -0.397 . . . . 0.96999999999999997 110.977 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -151.91 -57.56 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.006 -0.543 . . . . 1.96 110.106 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.8 p -97.92 -23.66 15.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.715 -0.675 . . . . 1.6599999999999999 111.143 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.45 54.83 3.61 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.684 -0.769 . . . . 0.69999999999999996 112.314 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.587 ' HB ' ' CE1' ' A' ' 72' ' ' TYR . 27.5 p -115.65 20.12 14.86 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.931 0.345 . . . . 1.8700000000000001 111.931 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 63.42 176.71 0.16 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 121.184 0.516 . . . . 2.29 111.499 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -134.97 15.6 3.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.818 -0.628 . . . . 2.7599999999999998 111.038 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.96 -58.28 1.82 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.857 0.36 . . . . 2.1400000000000001 110.344 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -67.55 -31.41 71.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.083 -0.508 . . . . 2.54 110.478 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.619 HG13 HD21 ' A' ' 70' ' ' LEU . 7.3 tt -61.55 135.23 26.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.998 -0.546 . . . . 0.65000000000000002 110.817 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.1 t -102.09 88.13 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 1.3400000000000001 111.326 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.627 HD21 ' SG ' ' A' ' 6' ' ' CYS . 4.8 mt -95.83 94.57 7.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.509 . . . . 0.96999999999999997 110.505 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -138.04 121.04 16.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 2.29 111.582 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 47' ' ' TRP . 7.8 tmtt? -78.14 106.4 10.01 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.466 -0.568 . . . . 2.1400000000000001 109.466 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.481 ' HB2' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER 74.82 -64.4 0.38 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.024 -0.534 . . . . 2.6600000000000001 110.205 -178.59 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 171.94 67.09 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.218 0.532 . . . . 1.8200000000000001 110.388 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.452 HG21 ' HB3' ' A' ' 60' ' ' TYR . 2.6 m -136.17 134.47 38.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.694 -0.685 . . . . 0.53000000000000003 110.814 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 50' ' ' ILE . 2.7 tp -70.24 108.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.049 0.452 . . . . 0.68999999999999995 111.062 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.593 ' HB3' HD12 ' A' ' 24' ' ' ILE . 5.4 m-30 -83.04 99.81 10.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.915 -0.584 . . . . 1.3999999999999999 110.593 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.659 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -97.83 141.0 31.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 2.2400000000000002 110.776 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.556 ' HA ' ' HB ' ' A' ' 24' ' ' ILE . 13.2 t0 -53.94 -34.95 61.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 2.4199999999999999 112.096 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -74.64 60.42 0.9 Allowed 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 111.796 0.295 . . . . 1.9199999999999999 111.796 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.845 HG21 ' HE1' ' A' ' 60' ' ' TYR . 19.0 m -157.3 -174.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.396 -0.365 . . . . 1.8400000000000001 110.674 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.37 61.3 0.69 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.343 -0.39 . . . . 1.3300000000000001 110.933 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.925 HD23 HG21 ' A' ' 62' ' ' ILE . 8.6 mp 46.43 66.58 0.93 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.228 -0.442 . . . . 0.68000000000000005 110.967 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.03 -43.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.67 -0.776 . . . . 0.76000000000000001 112.656 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.44 -26.07 66.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.724 0.297 . . . . 1.8400000000000001 111.158 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.845 ' HE1' HG21 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -109.92 25.46 11.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.526 -0.306 . . . . 1.0900000000000001 111.268 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 51.7 84.45 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.897 0.379 . . . . 2.7400000000000002 111.618 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.925 HG21 HD23 ' A' ' 57' ' ' LEU . 20.5 mm -108.51 141.11 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 1.1599999999999999 111.451 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.442 ' O ' HG23 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -130.1 161.18 31.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.915 -0.584 . . . . 2.8700000000000001 110.439 179.587 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 2' ' ' ILE . 15.8 p-10 -77.98 73.31 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.198 0.523 . . . . 2.29 111.062 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.402 ' HA2' ' HG2' ' A' ' 3' ' ' GLU . . . 132.36 73.51 0.1 OUTLIER Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.848 -0.691 . . . . 1.3100000000000001 112.316 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.9 163.94 31.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 1.72 111.021 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -104.21 148.84 25.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 2.5 110.908 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.415 ' N ' HD12 ' A' ' 68' ' ' LEU . 4.8 mp -131.17 143.75 50.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.81000000000000005 110.819 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 71' ' ' TYR . 4.2 mt-10 -79.71 130.23 35.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.894 0.378 . . . . 1.8600000000000001 110.63 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.619 HD21 HG13 ' A' ' 42' ' ' ILE . 1.9 tt -125.54 99.24 5.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.03 -0.532 . . . . 1.0600000000000001 110.933 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 69' ' ' GLU . 14.7 m-85 -99.08 130.59 45.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 1.3200000000000001 110.699 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.587 ' CE1' ' HB ' ' A' ' 37' ' ' THR . 19.8 m-85 -105.18 124.71 50.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.392 -0.367 . . . . 2.9199999999999999 110.87 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.41 -0.805 . . . . 4.0899999999999999 110.6 179.716 . . . . . . . . 0 0 . 1 stop_ save_