data_6h7i_residue ############################ # Computer software used # ############################ 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 6h7i _Structure_validation_residue.Date_analyzed 2019-08-09 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.806 0.336 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.695 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.4 m95 -101.18 154.81 18.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.785 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.433 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 1.8 p -121.3 120.6 35.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.022 0.439 . . . . 0.0 111.004 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.589 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.2 t-105 -94.18 121.97 36.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.403 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -140.04 114.87 9.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.961 0.41 . . . . 0.0 111.886 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 47.38 46.26 17.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.401 178.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.589 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 79.98 18.25 72.81 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.326 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.15 139.96 46.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.18 0.49 . . . . 0.0 111.676 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.695 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.2 m95 -97.68 139.43 33.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.883 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.13 123.85 35.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.275 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.454 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.6 t-105 -88.43 150.54 23.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.308 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.796 0.332 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.697 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 32.5 m95 -104.24 152.93 21.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.432 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 2.5 p -121.18 120.59 35.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.991 0.424 . . . . 0.0 111.015 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.589 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.0 t-105 -93.77 121.93 35.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.425 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -140.04 114.53 9.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.0 0.429 . . . . 0.0 111.873 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 47.48 46.26 17.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.379 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.589 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.11 18.34 72.24 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.392 -0.909 . . . . 0.0 113.321 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.15 139.91 46.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 117.173 0.486 . . . . 0.0 111.708 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.697 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.0 m95 -98.03 139.66 33.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.929 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.14 123.81 35.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.252 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.447 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.0 t-105 -88.27 152.5 21.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.314 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.4 mttt . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.861 179.846 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.811 0.339 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.73 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 31.5 m95 -108.61 149.56 28.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.764 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 22.6 m -116.92 120.57 38.85 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.921 0.391 . . . . 0.0 111.074 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.576 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.6 t-105 -95.06 121.86 37.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.369 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -140.12 113.95 8.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.932 0.396 . . . . 0.0 111.832 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.96 46.22 15.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.384 178.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.576 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 81.19 18.69 68.67 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.401 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -134.07 140.02 46.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.127 0.464 . . . . 0.0 111.529 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.73 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.6 m95 -97.67 143.28 28.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.175 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.2 123.99 35.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.537 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.473 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 55.6 t-105 -91.99 151.54 20.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.108 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.828 0.347 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.72 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.1 m95 -108.79 151.14 26.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.8 OUTLIER -116.62 120.51 38.89 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.92 0.391 . . . . 0.0 111.143 -179.748 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.58 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -95.37 121.87 37.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.341 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -140.16 114.37 9.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.949 0.404 . . . . 0.0 111.836 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 m120 46.92 46.28 15.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.405 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.58 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.71 18.77 69.65 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.356 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.09 140.01 46.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 117.152 0.476 . . . . 0.0 111.521 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.72 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.6 m95 -97.27 142.15 29.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.184 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.19 123.87 35.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.385 179.385 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.448 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 58.8 t-105 -90.55 152.59 20.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.088 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.86 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.816 0.341 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.666 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 17.5 m95 -103.05 158.62 16.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.418 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -121.29 120.62 35.65 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.134 0.492 . . . . 0.0 111.155 -179.729 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.596 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.4 t-105 -95.47 121.92 37.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.312 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -140.0 115.15 9.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.968 0.413 . . . . 0.0 111.902 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.93 46.22 15.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.343 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.596 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 79.71 19.89 69.74 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.408 -0.901 . . . . 0.0 113.176 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' A' ' 9' ' ' TRP . 0.4 OUTLIER -134.16 139.55 45.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 117.07 0.435 . . . . 0.0 111.701 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.666 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 15.0 m95 -99.24 128.51 45.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.4 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.409 ' OG1' ' HB ' ' A' ' 3' ' ' THR . 3.3 p -121.45 123.68 42.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.926 0.393 . . . . 0.0 110.168 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.426 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 59.5 t-105 -85.56 152.53 23.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.437 -179.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.883 179.858 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.0 m . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.824 0.345 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.726 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 30.0 m95 -104.72 150.67 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.77 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 21.3 m -117.05 120.54 38.68 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.946 0.403 . . . . 0.0 111.052 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.579 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.7 t-105 -95.38 121.76 37.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.374 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -140.05 114.11 8.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.962 0.411 . . . . 0.0 111.802 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.92 46.24 15.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.432 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.579 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 81.0 18.85 68.69 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.427 -0.892 . . . . 0.0 113.386 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -134.1 140.01 46.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 117.121 0.461 . . . . 0.0 111.584 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.726 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.7 m95 -97.65 142.64 29.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.21 123.94 35.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.486 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.464 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 54.9 t-105 -91.41 152.5 20.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.097 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.817 0.342 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.711 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 25.7 m95 -106.14 153.31 22.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.797 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 19.5 m -117.55 120.53 38.34 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.95 0.405 . . . . 0.0 111.112 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.582 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -95.91 121.81 38.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.382 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.09 114.32 9.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.965 0.412 . . . . 0.0 111.883 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 47.0 46.3 15.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.347 178.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.582 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.62 18.95 69.45 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.338 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -134.11 139.99 46.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 117.13 0.465 . . . . 0.0 111.605 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.711 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.2 m95 -97.49 141.77 30.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -128.19 123.92 35.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.429 179.452 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.469 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 55.0 t-105 -90.87 152.43 20.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.809 0.338 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.72 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.7 m95 -108.74 150.88 26.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.3 OUTLIER -116.34 120.44 38.88 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.915 0.388 . . . . 0.0 111.128 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.578 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.7 t-105 -95.63 121.77 37.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.392 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.03 114.1 8.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 111.848 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.87 46.31 15.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.38 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.578 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.91 18.93 68.73 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.37 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 139.93 46.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.128 0.464 . . . . 0.0 111.51 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.72 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.9 m95 -97.56 142.01 29.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.262 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.2 123.89 35.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.364 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.443 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 57.7 t-105 -90.33 152.49 20.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.131 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.81 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.809 0.337 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.707 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 25.3 m95 -108.86 153.71 23.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.807 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.407 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -118.0 120.52 38.06 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.946 0.403 . . . . 0.0 111.048 -179.715 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.579 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.0 t-105 -95.27 121.8 37.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.347 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -140.08 114.98 9.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.996 0.426 . . . . 0.0 111.907 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.96 46.27 15.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.433 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.579 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.26 18.0 72.7 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.435 179.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.404 ' HA ' ' NZ ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -134.05 139.8 46.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.166 0.483 . . . . 0.0 111.435 -179.845 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.707 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.9 m95 -96.7 140.73 30.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.045 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.14 123.86 35.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.325 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.453 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 55.1 t-105 -89.34 152.53 21.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.251 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.885 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.857 0.36 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.738 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 31.9 m95 -106.89 149.5 27.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.409 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -117.58 120.6 38.55 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.945 0.402 . . . . 0.0 111.069 -179.77 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.572 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.7 t-105 -93.89 121.75 35.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.304 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -140.15 115.57 9.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.962 0.41 . . . . 0.0 111.861 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.99 46.23 15.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.445 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.572 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.47 17.24 74.01 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.393 -0.908 . . . . 0.0 113.435 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HE2' ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -134.08 140.22 46.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.262 0.531 . . . . 0.0 111.568 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.738 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 12.6 m95 -95.21 143.8 26.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.21 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.25 123.97 35.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.503 179.41 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.462 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 57.0 t-105 -91.41 152.48 20.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.13 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.887 179.869 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.7 m . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.853 0.359 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.723 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.2 m95 -107.26 151.71 25.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.773 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 16.2 m -117.26 120.51 38.46 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.901 0.381 . . . . 0.0 111.032 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.58 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.8 t-105 -95.27 121.82 37.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.402 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.07 114.32 9.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.965 0.412 . . . . 0.0 111.883 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.88 46.28 15.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.458 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.58 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.78 18.8 69.4 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.344 -0.932 . . . . 0.0 113.403 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.14 139.98 46.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 117.113 0.457 . . . . 0.0 111.541 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.723 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.8 m95 -97.63 141.92 30.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.17 123.94 35.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.472 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.459 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.2 t-105 -90.43 152.46 20.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 179.839 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.766 0.317 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.725 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 31.0 m95 -106.65 149.35 27.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.772 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -116.18 120.52 39.26 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.93 0.395 . . . . 0.0 111.084 -179.657 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.575 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.6 t-105 -95.21 121.83 37.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.362 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.13 113.99 8.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 111.871 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 46.85 46.25 15.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.386 178.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.575 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 81.04 18.92 68.45 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.338 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.04 139.98 46.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.141 0.47 . . . . 0.0 111.511 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.725 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.6 m95 -97.73 142.34 29.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.234 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.15 123.91 35.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.33 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.43 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 59.2 t-105 -90.46 152.58 20.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.172 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 mttp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.878 179.756 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.781 0.324 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.721 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 29.8 m95 -108.8 150.24 27.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -116.45 120.5 38.99 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.938 0.399 . . . . 0.0 111.046 -179.695 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.574 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.6 t-105 -94.99 121.77 36.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.324 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -140.17 114.53 9.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.991 0.424 . . . . 0.0 111.869 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 m120 46.84 46.29 15.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.444 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.574 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.72 17.89 71.83 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.459 179.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.401 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -133.96 139.85 46.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.177 0.489 . . . . 0.0 111.399 -179.817 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.721 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.6 m95 -96.76 142.51 28.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.326 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.1 OUTLIER -128.21 123.89 35.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.362 179.341 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.441 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 59.4 t-105 -90.59 152.58 20.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.128 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.86 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.727 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.4 m95 -106.27 151.46 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 3.3 m -117.23 120.54 38.56 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.964 0.412 . . . . 0.0 111.066 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.581 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.8 t-105 -95.07 121.79 37.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.404 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -140.15 114.75 9.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.954 0.406 . . . . 0.0 111.852 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.87 46.28 15.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.439 178.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.581 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.54 17.99 72.02 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.449 -0.881 . . . . 0.0 113.448 179.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.403 ' HA ' ' NZ ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -134.01 139.89 46.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.151 0.475 . . . . 0.0 111.459 -179.819 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.727 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.5 m95 -96.71 142.87 28.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.233 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.21 124.02 35.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.477 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.471 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 54.9 t-105 -91.59 151.79 20.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.847 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.84 0.352 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.703 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 45.2 m95 -105.48 150.26 25.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.792 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.462 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 1.6 t -125.29 120.66 31.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.133 0.492 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.604 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.8 t-105 -90.54 121.96 32.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.51 -179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -139.96 113.49 8.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.987 0.422 . . . . 0.0 111.846 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 49.09 46.31 22.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.4 178.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.604 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 79.29 17.36 76.49 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.349 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.26 140.04 46.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 117.177 0.489 . . . . 0.0 111.911 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.703 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.6 m95 -98.15 140.88 31.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.76 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.409 ' CB ' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -128.12 123.91 35.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.865 0.364 . . . . 0.0 110.183 178.796 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.47 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 58.8 t-105 -89.42 149.63 22.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.986 0.422 . . . . 0.0 111.394 -179.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.87 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.815 0.34 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.699 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 23.7 m95 -108.78 154.07 22.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.407 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -117.71 120.41 37.89 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.973 0.416 . . . . 0.0 111.057 -179.644 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.575 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -95.36 121.83 37.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.297 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.08 114.86 9.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.948 0.404 . . . . 0.0 111.9 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 46.97 46.16 15.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.406 178.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.575 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.51 17.91 72.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.335 -0.936 . . . . 0.0 113.382 179.013 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.409 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -134.06 139.79 46.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 117.217 0.508 . . . . 0.0 111.39 -179.83 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.699 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 15.1 m95 -96.64 140.3 31.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.22 123.78 35.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.267 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.442 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.4 t-105 -88.7 152.58 21.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.228 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.7 mttp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.802 179.879 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.826 0.346 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.692 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 40.4 m95 -108.9 152.34 25.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.464 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 3.4 t -125.81 120.75 31.37 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.149 0.5 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.603 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.3 t-105 -90.83 121.94 33.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.447 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -140.0 115.06 9.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 0.0 111.913 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 m120 48.05 46.29 19.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.359 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.603 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 78.9 17.6 76.8 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.263 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -134.3 140.0 46.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.192 0.496 . . . . 0.0 111.923 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.692 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.1 m95 -98.01 139.92 33.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.756 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.418 ' CB ' ' CG2' ' A' ' 3' ' ' THR . 0.0 OUTLIER -128.14 123.83 35.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.734 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.45 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 63.9 t-105 -90.09 152.44 21.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.466 -179.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.789 179.486 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.816 0.341 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.72 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 30.1 m95 -108.86 150.46 27.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 21.4 m -116.98 120.53 38.7 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.989 0.423 . . . . 0.0 111.075 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.574 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -94.93 121.83 36.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.38 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -140.07 114.36 9.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.921 0.391 . . . . 0.0 111.851 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.93 46.24 15.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.422 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.574 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.81 18.6 69.83 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.379 -0.915 . . . . 0.0 113.394 179.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.07 139.93 46.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.145 0.473 . . . . 0.0 111.576 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.72 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.7 m95 -97.4 141.91 29.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.161 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.21 123.87 35.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.375 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.436 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 60.4 t-105 -90.26 152.6 20.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.89 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.83 0.347 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.722 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.0 m95 -107.36 151.87 24.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.762 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 19.5 m -117.3 120.56 38.6 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.933 0.397 . . . . 0.0 111.033 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.578 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.8 t-105 -95.37 121.78 37.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.385 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -140.03 114.28 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.979 0.419 . . . . 0.0 111.874 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.89 46.27 15.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.408 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.578 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.82 18.83 69.22 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.445 -0.883 . . . . 0.0 113.34 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -134.1 139.96 46.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 117.134 0.467 . . . . 0.0 111.532 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.722 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.9 m95 -97.57 141.86 30.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.164 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.19 123.94 35.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.456 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.46 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.2 t-105 -90.41 152.44 20.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.868 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.7 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.776 0.322 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.717 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 27.1 m95 -107.76 152.16 24.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.805 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 23.4 m -117.27 120.56 38.61 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.959 0.409 . . . . 0.0 111.055 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.579 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -95.31 121.82 37.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.329 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -140.15 114.8 9.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.991 0.424 . . . . 0.0 111.833 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.3 m120 46.93 46.26 15.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.394 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.579 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.53 18.06 71.89 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.41 -0.9 . . . . 0.0 113.43 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.411 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -134.03 139.84 46.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 117.234 0.517 . . . . 0.0 111.444 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.717 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.7 m95 -96.76 141.56 29.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.103 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.23 123.87 35.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.382 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.457 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 55.9 t-105 -90.18 152.51 21.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.877 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.806 0.336 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.695 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.4 m95 -101.18 154.81 18.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.785 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.433 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 1.8 p -121.3 120.6 35.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.022 0.439 . . . . 0.0 111.004 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.589 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.2 t-105 -94.18 121.97 36.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.403 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -140.04 114.87 9.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.961 0.41 . . . . 0.0 111.886 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 47.38 46.26 17.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.401 178.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.589 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 79.98 18.25 72.81 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.326 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.15 139.96 46.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.18 0.49 . . . . 0.0 111.676 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.695 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.2 m95 -97.68 139.43 33.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.883 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.13 123.85 35.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.275 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.454 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.6 t-105 -88.43 150.54 23.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.308 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 177.79 107.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.849 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 O-C-N 121.979 -0.451 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.796 0.332 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.697 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 32.5 m95 -104.24 152.93 21.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.432 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 2.5 p -121.18 120.59 35.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.991 0.424 . . . . 0.0 111.015 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.589 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.0 t-105 -93.77 121.93 35.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.425 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -140.04 114.53 9.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.0 0.429 . . . . 0.0 111.873 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 47.48 46.26 17.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.379 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.589 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.11 18.34 72.24 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.392 -0.909 . . . . 0.0 113.321 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.15 139.91 46.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 117.173 0.486 . . . . 0.0 111.708 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.697 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.0 m95 -98.03 139.66 33.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.929 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.14 123.81 35.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.252 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.447 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.0 t-105 -88.27 152.5 21.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.314 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -178.86 -166.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.861 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 O-C-N 122.023 -0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.811 0.339 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.73 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 31.5 m95 -108.61 149.56 28.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.764 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 22.6 m -116.92 120.57 38.85 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.921 0.391 . . . . 0.0 111.074 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.576 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.6 t-105 -95.06 121.86 37.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.369 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -140.12 113.95 8.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.932 0.396 . . . . 0.0 111.832 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.96 46.22 15.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.384 178.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.576 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 81.19 18.69 68.67 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.401 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -134.07 140.02 46.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.127 0.464 . . . . 0.0 111.529 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.73 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.6 m95 -97.67 143.28 28.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.175 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.2 123.99 35.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.537 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.473 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 55.6 t-105 -91.99 151.54 20.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.108 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.8 -55.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 O-C-N 122.008 -0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.828 0.347 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.72 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.1 m95 -108.79 151.14 26.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.8 OUTLIER -116.62 120.51 38.89 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.92 0.391 . . . . 0.0 111.143 -179.748 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.58 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -95.37 121.87 37.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.341 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -140.16 114.37 9.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.949 0.404 . . . . 0.0 111.836 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 m120 46.92 46.28 15.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.405 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.58 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.71 18.77 69.65 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.356 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.09 140.01 46.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 117.152 0.476 . . . . 0.0 111.521 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.72 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.6 m95 -97.27 142.15 29.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.184 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.19 123.87 35.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.385 179.385 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.448 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 58.8 t-105 -90.55 152.59 20.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.088 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -171.42 -58.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.86 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 O-C-N 122.036 -0.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.816 0.341 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.666 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 17.5 m95 -103.05 158.62 16.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.418 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -121.29 120.62 35.65 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.134 0.492 . . . . 0.0 111.155 -179.729 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.596 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.4 t-105 -95.47 121.92 37.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.312 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -140.0 115.15 9.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.968 0.413 . . . . 0.0 111.902 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.93 46.22 15.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.343 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.596 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 79.71 19.89 69.74 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.408 -0.901 . . . . 0.0 113.176 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' A' ' 9' ' ' TRP . 0.4 OUTLIER -134.16 139.55 45.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 117.07 0.435 . . . . 0.0 111.701 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.666 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 15.0 m95 -99.24 128.51 45.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.4 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.409 ' OG1' ' HB ' ' A' ' 3' ' ' THR . 3.3 p -121.45 123.68 42.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.926 0.393 . . . . 0.0 110.168 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.426 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 59.5 t-105 -85.56 152.53 23.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.437 -179.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -172.3 111.41 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.883 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 O-C-N 122.01 -0.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.0 m . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.824 0.345 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.726 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 30.0 m95 -104.72 150.67 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.77 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 21.3 m -117.05 120.54 38.68 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.946 0.403 . . . . 0.0 111.052 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.579 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.7 t-105 -95.38 121.76 37.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.374 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -140.05 114.11 8.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.962 0.411 . . . . 0.0 111.802 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.92 46.24 15.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.432 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.579 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 81.0 18.85 68.69 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.427 -0.892 . . . . 0.0 113.386 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -134.1 140.01 46.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 117.121 0.461 . . . . 0.0 111.584 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.726 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.7 m95 -97.65 142.64 29.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.21 123.94 35.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.486 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.464 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 54.9 t-105 -91.41 152.5 20.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.097 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.91 73.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.891 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 O-C-N 121.989 -0.445 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.817 0.342 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.711 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 25.7 m95 -106.14 153.31 22.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.797 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 19.5 m -117.55 120.53 38.34 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.95 0.405 . . . . 0.0 111.112 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.582 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -95.91 121.81 38.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.382 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.09 114.32 9.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.965 0.412 . . . . 0.0 111.883 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 47.0 46.3 15.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.347 178.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.582 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.62 18.95 69.45 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.338 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -134.11 139.99 46.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 117.13 0.465 . . . . 0.0 111.605 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.711 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.2 m95 -97.49 141.77 30.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -128.19 123.92 35.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.429 179.452 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.469 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 55.0 t-105 -90.87 152.43 20.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 13' ' ' NH2 . 1.0 OUTLIER 179.83 -101.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.823 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . 0.46 ' N ' ' CG ' ' A' ' 12' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.365 0 O-C-N 122.033 -0.417 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.809 0.338 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.72 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.7 m95 -108.74 150.88 26.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.3 OUTLIER -116.34 120.44 38.88 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.915 0.388 . . . . 0.0 111.128 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.578 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.7 t-105 -95.63 121.77 37.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.392 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.03 114.1 8.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 111.848 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.87 46.31 15.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.38 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.578 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.91 18.93 68.73 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.37 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 139.93 46.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.128 0.464 . . . . 0.0 111.51 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.72 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.9 m95 -97.56 142.01 29.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.262 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.2 123.89 35.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.364 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.443 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 57.7 t-105 -90.33 152.49 20.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.131 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -174.2 -5.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.81 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 O-C-N 121.987 -0.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.809 0.337 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.707 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 25.3 m95 -108.86 153.71 23.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.807 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.407 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -118.0 120.52 38.06 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.946 0.403 . . . . 0.0 111.048 -179.715 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.579 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.0 t-105 -95.27 121.8 37.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.347 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -140.08 114.98 9.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.996 0.426 . . . . 0.0 111.907 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.96 46.27 15.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.433 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.579 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.26 18.0 72.7 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.435 179.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' HA ' ' NZ ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -134.05 139.8 46.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.166 0.483 . . . . 0.0 111.435 -179.845 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.707 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.9 m95 -96.7 140.73 30.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.045 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.14 123.86 35.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.325 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.453 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 55.1 t-105 -89.34 152.53 21.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.251 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.47 0.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.885 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 O-C-N 122.0 -0.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.857 0.36 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.738 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 31.9 m95 -106.89 149.5 27.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.409 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -117.58 120.6 38.55 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.945 0.402 . . . . 0.0 111.069 -179.77 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.572 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.7 t-105 -93.89 121.75 35.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.304 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -140.15 115.57 9.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.962 0.41 . . . . 0.0 111.861 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.99 46.23 15.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.445 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.572 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.47 17.24 74.01 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.393 -0.908 . . . . 0.0 113.435 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HE2' ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -134.08 140.22 46.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.262 0.531 . . . . 0.0 111.568 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.738 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 12.6 m95 -95.21 143.8 26.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.21 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.25 123.97 35.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.503 179.41 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.462 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 57.0 t-105 -91.41 152.48 20.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.13 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -175.93 -58.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 O-C-N 121.954 -0.466 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.7 m . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.853 0.359 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.723 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.2 m95 -107.26 151.71 25.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.773 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 16.2 m -117.26 120.51 38.46 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.901 0.381 . . . . 0.0 111.032 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.58 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.8 t-105 -95.27 121.82 37.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.402 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.07 114.32 9.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.965 0.412 . . . . 0.0 111.883 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.88 46.28 15.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.458 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.58 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.78 18.8 69.4 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.344 -0.932 . . . . 0.0 113.403 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.14 139.98 46.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 117.113 0.457 . . . . 0.0 111.541 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.723 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.8 m95 -97.63 141.92 30.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.17 123.94 35.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.472 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.459 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.2 t-105 -90.43 152.46 20.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -178.22 101.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 O-C-N 121.992 -0.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.766 0.317 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.725 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 31.0 m95 -106.65 149.35 27.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.772 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -116.18 120.52 39.26 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.93 0.395 . . . . 0.0 111.084 -179.657 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.575 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.6 t-105 -95.21 121.83 37.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.362 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.13 113.99 8.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 111.871 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 46.85 46.25 15.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.386 178.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.575 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 81.04 18.92 68.45 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.338 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.04 139.98 46.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.141 0.47 . . . . 0.0 111.511 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.725 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.6 m95 -97.73 142.34 29.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.234 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.15 123.91 35.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.33 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.43 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 59.2 t-105 -90.46 152.58 20.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.172 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -169.25 102.3 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.878 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.376 0 O-C-N 122.05 -0.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.781 0.324 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.721 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 29.8 m95 -108.8 150.24 27.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -116.45 120.5 38.99 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.938 0.399 . . . . 0.0 111.046 -179.695 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.574 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.6 t-105 -94.99 121.77 36.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.324 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -140.17 114.53 9.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.991 0.424 . . . . 0.0 111.869 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 m120 46.84 46.29 15.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.444 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.574 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.72 17.89 71.83 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.459 179.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -133.96 139.85 46.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.177 0.489 . . . . 0.0 111.399 -179.817 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.721 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.6 m95 -96.76 142.51 28.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.326 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.1 OUTLIER -128.21 123.89 35.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.362 179.341 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.441 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 59.4 t-105 -90.59 152.58 20.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.128 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.15 -156.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.86 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 O-C-N 121.98 -0.45 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.727 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.4 m95 -106.27 151.46 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 3.3 m -117.23 120.54 38.56 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.964 0.412 . . . . 0.0 111.066 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.581 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.8 t-105 -95.07 121.79 37.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.404 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -140.15 114.75 9.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.954 0.406 . . . . 0.0 111.852 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.87 46.28 15.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.439 178.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.581 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.54 17.99 72.02 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.449 -0.881 . . . . 0.0 113.448 179.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.403 ' HA ' ' NZ ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -134.01 139.89 46.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.151 0.475 . . . . 0.0 111.459 -179.819 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.727 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.5 m95 -96.71 142.87 28.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.233 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.21 124.02 35.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.477 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.471 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 54.9 t-105 -91.59 151.79 20.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.64 26.12 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.847 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 O-C-N 122.027 -0.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.84 0.352 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.703 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 45.2 m95 -105.48 150.26 25.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.792 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.462 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 1.6 t -125.29 120.66 31.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.133 0.492 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.604 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.8 t-105 -90.54 121.96 32.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.51 -179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -139.96 113.49 8.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.987 0.422 . . . . 0.0 111.846 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 49.09 46.31 22.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.4 178.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.604 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 79.29 17.36 76.49 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.349 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.26 140.04 46.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 117.177 0.489 . . . . 0.0 111.911 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.703 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.6 m95 -98.15 140.88 31.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.76 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.409 ' CB ' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -128.12 123.91 35.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.865 0.364 . . . . 0.0 110.183 178.796 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.47 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 58.8 t-105 -89.42 149.63 22.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.986 0.422 . . . . 0.0 111.394 -179.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.78 -28.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.87 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 O-C-N 122.009 -0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.815 0.34 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.699 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 23.7 m95 -108.78 154.07 22.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.407 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -117.71 120.41 37.89 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.973 0.416 . . . . 0.0 111.057 -179.644 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.575 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -95.36 121.83 37.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.297 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.08 114.86 9.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.948 0.404 . . . . 0.0 111.9 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 46.97 46.16 15.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.406 178.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.575 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.51 17.91 72.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.335 -0.936 . . . . 0.0 113.382 179.013 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -134.06 139.79 46.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 117.217 0.508 . . . . 0.0 111.39 -179.83 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.699 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 15.1 m95 -96.64 140.3 31.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.22 123.78 35.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.267 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.442 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.4 t-105 -88.7 152.58 21.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.228 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -176.1 -156.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.802 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 O-C-N 122.0 -0.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.826 0.346 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.692 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 40.4 m95 -108.9 152.34 25.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.464 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 3.4 t -125.81 120.75 31.37 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.149 0.5 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.603 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.3 t-105 -90.83 121.94 33.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.447 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -140.0 115.06 9.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 0.0 111.913 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 m120 48.05 46.29 19.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.359 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.603 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 78.9 17.6 76.8 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.263 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -134.3 140.0 46.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.192 0.496 . . . . 0.0 111.923 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.692 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.1 m95 -98.01 139.92 33.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.756 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.418 ' CB ' ' CG2' ' A' ' 3' ' ' THR . 0.0 OUTLIER -128.14 123.83 35.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.734 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.45 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 63.9 t-105 -90.09 152.44 21.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.466 -179.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -143.79 -175.78 4.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.789 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 O-C-N 121.957 -0.465 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.816 0.341 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.72 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 30.1 m95 -108.86 150.46 27.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 21.4 m -116.98 120.53 38.7 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.989 0.423 . . . . 0.0 111.075 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.574 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -94.93 121.83 36.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.38 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -140.07 114.36 9.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.921 0.391 . . . . 0.0 111.851 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.93 46.24 15.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.422 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.574 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.81 18.6 69.83 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.379 -0.915 . . . . 0.0 113.394 179.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.07 139.93 46.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.145 0.473 . . . . 0.0 111.576 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.72 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.7 m95 -97.4 141.91 29.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.161 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.21 123.87 35.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.375 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.436 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 60.4 t-105 -90.26 152.6 20.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.73 1.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.89 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 O-C-N 121.947 -0.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.83 0.347 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.722 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.0 m95 -107.36 151.87 24.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.762 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 19.5 m -117.3 120.56 38.6 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.933 0.397 . . . . 0.0 111.033 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.578 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.8 t-105 -95.37 121.78 37.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.385 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -140.03 114.28 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.979 0.419 . . . . 0.0 111.874 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.89 46.27 15.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.408 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.578 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.82 18.83 69.22 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.445 -0.883 . . . . 0.0 113.34 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -134.1 139.96 46.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 117.134 0.467 . . . . 0.0 111.532 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.722 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.9 m95 -97.57 141.86 30.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.164 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.19 123.94 35.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.456 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.46 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.2 t-105 -90.41 152.44 20.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.46 126.67 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.868 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.368 0 O-C-N 122.001 -0.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.7 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.776 0.322 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.717 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 27.1 m95 -107.76 152.16 24.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.805 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 23.4 m -117.27 120.56 38.61 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.959 0.409 . . . . 0.0 111.055 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.579 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -95.31 121.82 37.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.329 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -140.15 114.8 9.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.991 0.424 . . . . 0.0 111.833 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.3 m120 46.93 46.26 15.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.394 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.579 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.53 18.06 71.89 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.41 -0.9 . . . . 0.0 113.43 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.411 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -134.03 139.84 46.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 117.234 0.517 . . . . 0.0 111.444 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.717 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.7 m95 -96.76 141.56 29.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.103 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.23 123.87 35.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.382 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.457 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 55.9 t-105 -90.18 152.51 21.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.76 107.96 0.06 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.877 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 O-C-N 121.999 -0.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.806 0.336 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.722 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.4 m95 -101.18 154.81 18.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.785 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.621 HG21 ' HD2' ' A' ' 12' ' ' LYS . 1.8 p -121.3 120.6 35.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.022 0.439 . . . . 0.0 111.004 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.591 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.2 t-105 -94.18 121.97 36.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.403 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -140.04 114.87 9.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.961 0.41 . . . . 0.0 111.886 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 47.38 46.26 17.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.401 178.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.591 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 79.98 18.25 72.81 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.326 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.15 139.96 46.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.18 0.49 . . . . 0.0 111.676 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.722 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.2 m95 -97.68 139.43 33.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.883 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.13 123.85 35.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.275 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.471 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.6 t-105 -88.43 150.54 23.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.308 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.621 ' HD2' HG21 ' A' ' 3' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.849 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.796 0.332 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.725 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 32.5 m95 -104.24 152.93 21.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.432 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 2.5 p -121.18 120.59 35.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.991 0.424 . . . . 0.0 111.015 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.591 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.0 t-105 -93.77 121.93 35.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.425 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -140.04 114.53 9.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.0 0.429 . . . . 0.0 111.873 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 47.48 46.26 17.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.379 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.591 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.11 18.34 72.24 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.392 -0.909 . . . . 0.0 113.321 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.15 139.91 46.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 117.173 0.486 . . . . 0.0 111.708 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.725 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.0 m95 -98.03 139.66 33.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.929 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.14 123.81 35.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.252 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.464 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.0 t-105 -88.27 152.5 21.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.314 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.4 mttt . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.861 179.846 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.811 0.339 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.759 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 31.5 m95 -108.61 149.56 28.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.764 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 22.6 m -116.92 120.57 38.85 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.921 0.391 . . . . 0.0 111.074 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.577 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.6 t-105 -95.06 121.86 37.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.369 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -140.12 113.95 8.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.932 0.396 . . . . 0.0 111.832 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.96 46.22 15.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.384 178.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.577 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 81.19 18.69 68.67 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.401 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -134.07 140.02 46.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.127 0.464 . . . . 0.0 111.529 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.759 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.6 m95 -97.67 143.28 28.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.175 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.1 OUTLIER -128.2 123.99 35.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.537 179.456 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.492 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 55.6 t-105 -91.99 151.54 20.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.108 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.828 0.347 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.749 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.1 m95 -108.79 151.14 26.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.8 OUTLIER -116.62 120.51 38.89 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.92 0.391 . . . . 0.0 111.143 -179.748 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.581 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -95.37 121.87 37.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.341 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -140.16 114.37 9.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.949 0.404 . . . . 0.0 111.836 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 m120 46.92 46.28 15.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.405 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.581 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.71 18.77 69.65 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.356 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.09 140.01 46.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 117.152 0.476 . . . . 0.0 111.521 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.749 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.6 m95 -97.27 142.15 29.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.184 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.19 123.87 35.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.385 179.385 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.469 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 58.8 t-105 -90.55 152.59 20.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.088 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.86 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.816 0.341 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.692 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 17.5 m95 -103.05 158.62 16.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.418 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -121.29 120.62 35.65 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.134 0.492 . . . . 0.0 111.155 -179.729 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.599 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.4 t-105 -95.47 121.92 37.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.312 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -140.0 115.15 9.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.968 0.413 . . . . 0.0 111.902 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.93 46.22 15.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.343 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.599 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 79.71 19.89 69.74 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.408 -0.901 . . . . 0.0 113.176 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.409 ' HD3' ' N ' ' A' ' 9' ' ' TRP . 0.4 OUTLIER -134.16 139.55 45.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 117.07 0.435 . . . . 0.0 111.701 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.692 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 15.0 m95 -99.24 128.51 45.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.4 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.3 p -121.45 123.68 42.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.926 0.393 . . . . 0.0 110.168 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.443 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 59.5 t-105 -85.56 152.53 23.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.437 -179.005 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.883 179.858 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.0 m . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.824 0.345 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.754 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 30.0 m95 -104.72 150.67 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.77 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 21.3 m -117.05 120.54 38.68 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.946 0.403 . . . . 0.0 111.052 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.581 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.7 t-105 -95.38 121.76 37.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.374 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -140.05 114.11 8.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.962 0.411 . . . . 0.0 111.802 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.92 46.24 15.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.432 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.581 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 81.0 18.85 68.69 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.427 -0.892 . . . . 0.0 113.386 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -134.1 140.01 46.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 117.121 0.461 . . . . 0.0 111.584 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.754 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.7 m95 -97.65 142.64 29.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.21 123.94 35.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.486 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.483 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 54.9 t-105 -91.41 152.5 20.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.097 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.817 0.342 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.739 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 25.7 m95 -106.14 153.31 22.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.797 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 19.5 m -117.55 120.53 38.34 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.95 0.405 . . . . 0.0 111.112 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.584 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -95.91 121.81 38.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.382 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.09 114.32 9.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.965 0.412 . . . . 0.0 111.883 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 47.0 46.3 15.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.347 178.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.584 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.62 18.95 69.45 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.338 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -134.11 139.99 46.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 117.13 0.465 . . . . 0.0 111.605 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.739 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.2 m95 -97.49 141.77 30.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -128.19 123.92 35.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.429 179.452 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.487 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 55.0 t-105 -90.87 152.43 20.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.809 0.338 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.75 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.7 m95 -108.74 150.88 26.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.3 OUTLIER -116.34 120.44 38.88 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.915 0.388 . . . . 0.0 111.128 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.583 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.7 t-105 -95.63 121.77 37.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.392 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.03 114.1 8.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 111.848 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.87 46.31 15.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.38 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.583 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.91 18.93 68.73 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.37 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 139.93 46.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.128 0.464 . . . . 0.0 111.51 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.75 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.9 m95 -97.56 142.01 29.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.262 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.2 123.89 35.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.364 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.463 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 57.7 t-105 -90.33 152.49 20.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.131 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.81 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.809 0.337 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.737 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 25.3 m95 -108.86 153.71 23.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.807 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -118.0 120.52 38.06 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.946 0.403 . . . . 0.0 111.048 -179.715 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.581 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.0 t-105 -95.27 121.8 37.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.347 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -140.08 114.98 9.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.996 0.426 . . . . 0.0 111.907 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.96 46.27 15.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.433 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.581 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.26 18.0 72.7 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.435 179.068 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HA ' ' NZ ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -134.05 139.8 46.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.166 0.483 . . . . 0.0 111.435 -179.845 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.737 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.9 m95 -96.7 140.73 30.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.045 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.14 123.86 35.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.325 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.471 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 55.1 t-105 -89.34 152.53 21.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.251 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.885 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.857 0.36 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.767 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 31.9 m95 -106.89 149.5 27.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.409 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -117.58 120.6 38.55 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.945 0.402 . . . . 0.0 111.069 -179.77 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.573 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.7 t-105 -93.89 121.75 35.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.304 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -140.15 115.57 9.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.962 0.41 . . . . 0.0 111.861 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.99 46.23 15.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.445 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.573 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.47 17.24 74.01 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.393 -0.908 . . . . 0.0 113.435 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.418 ' HE2' ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -134.08 140.22 46.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.262 0.531 . . . . 0.0 111.568 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.767 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 12.6 m95 -95.21 143.8 26.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.21 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.25 123.97 35.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.503 179.41 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.48 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 57.0 t-105 -91.41 152.48 20.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.13 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.887 179.869 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.7 m . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.853 0.359 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.752 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.2 m95 -107.26 151.71 25.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.773 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 16.2 m -117.26 120.51 38.46 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.901 0.381 . . . . 0.0 111.032 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.581 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.8 t-105 -95.27 121.82 37.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.402 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.07 114.32 9.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.965 0.412 . . . . 0.0 111.883 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.88 46.28 15.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.458 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.581 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.78 18.8 69.4 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.344 -0.932 . . . . 0.0 113.403 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.14 139.98 46.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 117.113 0.457 . . . . 0.0 111.541 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.752 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.8 m95 -97.63 141.92 30.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.17 123.94 35.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.472 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.478 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.2 t-105 -90.43 152.46 20.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 179.839 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.766 0.317 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.754 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 31.0 m95 -106.65 149.35 27.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.772 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -116.18 120.52 39.26 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.93 0.395 . . . . 0.0 111.084 -179.657 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.577 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.6 t-105 -95.21 121.83 37.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.362 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.13 113.99 8.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 111.871 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 46.85 46.25 15.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.386 178.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.577 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 81.04 18.92 68.45 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.338 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.04 139.98 46.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.141 0.47 . . . . 0.0 111.511 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.754 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.6 m95 -97.73 142.34 29.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.234 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.15 123.91 35.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.33 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.448 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 59.2 t-105 -90.46 152.58 20.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.172 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 mttp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.878 179.756 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.781 0.324 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.751 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 29.8 m95 -108.8 150.24 27.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -116.45 120.5 38.99 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.938 0.399 . . . . 0.0 111.046 -179.695 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.577 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.6 t-105 -94.99 121.77 36.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.324 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -140.17 114.53 9.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.991 0.424 . . . . 0.0 111.869 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 m120 46.84 46.29 15.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.444 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.577 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.72 17.89 71.83 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.459 179.014 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HA ' ' NZ ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -133.96 139.85 46.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.177 0.489 . . . . 0.0 111.399 -179.817 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.751 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.6 m95 -96.76 142.51 28.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.326 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.1 OUTLIER -128.21 123.89 35.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.362 179.341 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.46 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 59.4 t-105 -90.59 152.58 20.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.128 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.86 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.757 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.4 m95 -106.27 151.46 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 3.3 m -117.23 120.54 38.56 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.964 0.412 . . . . 0.0 111.066 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.582 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.8 t-105 -95.07 121.79 37.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.404 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -140.15 114.75 9.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.954 0.406 . . . . 0.0 111.852 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.87 46.28 15.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.439 178.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.582 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.54 17.99 72.02 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.449 -0.881 . . . . 0.0 113.448 179.028 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.405 ' HA ' ' NZ ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -134.01 139.89 46.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.151 0.475 . . . . 0.0 111.459 -179.819 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.757 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.5 m95 -96.71 142.87 28.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.233 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.21 124.02 35.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.477 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.489 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 54.9 t-105 -91.59 151.79 20.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.847 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.84 0.352 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.731 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 45.2 m95 -105.48 150.26 25.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.792 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.812 HG23 ' OG1' ' A' ' 10' ' ' THR . 1.6 t -125.29 120.66 31.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.133 0.492 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.606 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.8 t-105 -90.54 121.96 32.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.51 -179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -139.96 113.49 8.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.987 0.422 . . . . 0.0 111.846 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 49.09 46.31 22.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.4 178.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.606 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 79.29 17.36 76.49 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.349 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.26 140.04 46.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 117.177 0.489 . . . . 0.0 111.911 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.731 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.6 m95 -98.15 140.88 31.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.76 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.812 ' OG1' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -128.12 123.91 35.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.865 0.364 . . . . 0.0 110.183 178.796 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.485 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 58.8 t-105 -89.42 149.63 22.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.986 0.422 . . . . 0.0 111.394 -179.232 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.87 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.815 0.34 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.728 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 23.7 m95 -108.78 154.07 22.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -117.71 120.41 37.89 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.973 0.416 . . . . 0.0 111.057 -179.644 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.577 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -95.36 121.83 37.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.297 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.08 114.86 9.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.948 0.404 . . . . 0.0 111.9 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 46.97 46.16 15.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.406 178.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.577 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.51 17.91 72.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.335 -0.936 . . . . 0.0 113.382 179.013 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.412 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -134.06 139.79 46.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 117.217 0.508 . . . . 0.0 111.39 -179.83 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.728 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 15.1 m95 -96.64 140.3 31.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.22 123.78 35.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.267 179.329 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.46 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.4 t-105 -88.7 152.58 21.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.228 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.7 mttp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.802 179.879 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.826 0.346 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.717 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 40.4 m95 -108.9 152.34 25.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.838 HG22 ' O ' ' A' ' 10' ' ' THR . 3.4 t -125.81 120.75 31.37 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.149 0.5 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.606 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.3 t-105 -90.83 121.94 33.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.447 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -140.0 115.06 9.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 0.0 111.913 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 m120 48.05 46.29 19.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.359 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.606 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 78.9 17.6 76.8 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.263 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -134.3 140.0 46.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.192 0.496 . . . . 0.0 111.923 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.717 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.1 m95 -98.01 139.92 33.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.756 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.838 ' O ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -128.14 123.83 35.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.734 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.468 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 63.9 t-105 -90.09 152.44 21.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.466 -179.276 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.789 179.486 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.816 0.341 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.75 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 30.1 m95 -108.86 150.46 27.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.429 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 21.4 m -116.98 120.53 38.7 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.989 0.423 . . . . 0.0 111.075 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.577 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -94.93 121.83 36.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.38 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -140.07 114.36 9.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.921 0.391 . . . . 0.0 111.851 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.93 46.24 15.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.422 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.577 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.81 18.6 69.83 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.379 -0.915 . . . . 0.0 113.394 179.076 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.07 139.93 46.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.145 0.473 . . . . 0.0 111.576 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.75 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.7 m95 -97.4 141.91 29.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.161 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.21 123.87 35.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.375 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.457 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 60.4 t-105 -90.26 152.6 20.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.89 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.83 0.347 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.75 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.0 m95 -107.36 151.87 24.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.762 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.438 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 19.5 m -117.3 120.56 38.6 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.933 0.397 . . . . 0.0 111.033 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.58 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.8 t-105 -95.37 121.78 37.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.385 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -140.03 114.28 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.979 0.419 . . . . 0.0 111.874 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.89 46.27 15.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.408 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.58 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.82 18.83 69.22 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.445 -0.883 . . . . 0.0 113.34 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -134.1 139.96 46.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 117.134 0.467 . . . . 0.0 111.532 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.75 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.9 m95 -97.57 141.86 30.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.164 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.19 123.94 35.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.456 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.48 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.2 t-105 -90.41 152.44 20.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.868 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.7 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.776 0.322 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.746 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 27.1 m95 -107.76 152.16 24.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.805 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 23.4 m -117.27 120.56 38.61 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.959 0.409 . . . . 0.0 111.055 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.582 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -95.31 121.82 37.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.329 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -140.15 114.8 9.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.991 0.424 . . . . 0.0 111.833 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.3 m120 46.93 46.26 15.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.394 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.582 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.53 18.06 71.89 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.41 -0.9 . . . . 0.0 113.43 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.415 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -134.03 139.84 46.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 117.234 0.517 . . . . 0.0 111.444 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.746 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.7 m95 -96.76 141.56 29.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.103 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.23 123.87 35.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.382 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.475 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 55.9 t-105 -90.18 152.51 21.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.877 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.806 0.336 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.722 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.4 m95 -101.18 154.81 18.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.785 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.621 HG21 ' HD2' ' A' ' 12' ' ' LYS . 1.8 p -121.3 120.6 35.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.022 0.439 . . . . 0.0 111.004 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.591 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.2 t-105 -94.18 121.97 36.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.403 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -140.04 114.87 9.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.961 0.41 . . . . 0.0 111.886 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 47.38 46.26 17.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.401 178.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.591 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 79.98 18.25 72.81 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.326 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.15 139.96 46.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.18 0.49 . . . . 0.0 111.676 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.722 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.2 m95 -97.68 139.43 33.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.883 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.13 123.85 35.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.275 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.471 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.6 t-105 -88.43 150.54 23.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.308 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.621 ' HD2' HG21 ' A' ' 3' ' ' THR . 0.9 OUTLIER 177.79 107.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.849 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 O-C-N 121.979 -0.451 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.796 0.332 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.725 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 32.5 m95 -104.24 152.93 21.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.432 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 2.5 p -121.18 120.59 35.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.991 0.424 . . . . 0.0 111.015 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.591 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.0 t-105 -93.77 121.93 35.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.425 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -140.04 114.53 9.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.0 0.429 . . . . 0.0 111.873 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 47.48 46.26 17.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.379 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.591 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.11 18.34 72.24 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.392 -0.909 . . . . 0.0 113.321 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.15 139.91 46.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 117.173 0.486 . . . . 0.0 111.708 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.725 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.0 m95 -98.03 139.66 33.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.929 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.14 123.81 35.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.252 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.464 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.0 t-105 -88.27 152.5 21.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.314 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -178.86 -166.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.861 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 O-C-N 122.023 -0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.811 0.339 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.759 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 31.5 m95 -108.61 149.56 28.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.764 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 22.6 m -116.92 120.57 38.85 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.921 0.391 . . . . 0.0 111.074 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.577 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.6 t-105 -95.06 121.86 37.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.369 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -140.12 113.95 8.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.932 0.396 . . . . 0.0 111.832 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.96 46.22 15.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.384 178.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.577 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 81.19 18.69 68.67 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.401 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -134.07 140.02 46.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.127 0.464 . . . . 0.0 111.529 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.759 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.6 m95 -97.67 143.28 28.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.175 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.1 OUTLIER -128.2 123.99 35.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.537 179.456 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.492 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 55.6 t-105 -91.99 151.54 20.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.108 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.8 -55.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 O-C-N 122.008 -0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.828 0.347 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.749 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.1 m95 -108.79 151.14 26.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.8 OUTLIER -116.62 120.51 38.89 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.92 0.391 . . . . 0.0 111.143 -179.748 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.581 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -95.37 121.87 37.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.341 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -140.16 114.37 9.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.949 0.404 . . . . 0.0 111.836 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 m120 46.92 46.28 15.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.405 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.581 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.71 18.77 69.65 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.356 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.09 140.01 46.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 117.152 0.476 . . . . 0.0 111.521 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.749 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.6 m95 -97.27 142.15 29.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.184 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.19 123.87 35.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.385 179.385 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.469 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 58.8 t-105 -90.55 152.59 20.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.088 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -171.42 -58.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.86 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 O-C-N 122.036 -0.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.816 0.341 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.692 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 17.5 m95 -103.05 158.62 16.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.418 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -121.29 120.62 35.65 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.134 0.492 . . . . 0.0 111.155 -179.729 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.599 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.4 t-105 -95.47 121.92 37.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.312 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -140.0 115.15 9.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.968 0.413 . . . . 0.0 111.902 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.93 46.22 15.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.343 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.599 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 79.71 19.89 69.74 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.408 -0.901 . . . . 0.0 113.176 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' HD3' ' N ' ' A' ' 9' ' ' TRP . 0.4 OUTLIER -134.16 139.55 45.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 117.07 0.435 . . . . 0.0 111.701 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.692 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 15.0 m95 -99.24 128.51 45.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.4 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.3 p -121.45 123.68 42.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.926 0.393 . . . . 0.0 110.168 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.443 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 59.5 t-105 -85.56 152.53 23.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.437 -179.005 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -172.3 111.41 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.883 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 O-C-N 122.01 -0.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.0 m . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.824 0.345 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.754 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 30.0 m95 -104.72 150.67 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.77 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 21.3 m -117.05 120.54 38.68 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.946 0.403 . . . . 0.0 111.052 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.581 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.7 t-105 -95.38 121.76 37.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.374 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -140.05 114.11 8.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.962 0.411 . . . . 0.0 111.802 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.92 46.24 15.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.432 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.581 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 81.0 18.85 68.69 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.427 -0.892 . . . . 0.0 113.386 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -134.1 140.01 46.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 117.121 0.461 . . . . 0.0 111.584 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.754 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.7 m95 -97.65 142.64 29.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.21 123.94 35.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.486 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.483 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 54.9 t-105 -91.41 152.5 20.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.097 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.91 73.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.891 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 O-C-N 121.989 -0.445 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.817 0.342 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.739 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 25.7 m95 -106.14 153.31 22.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.797 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 19.5 m -117.55 120.53 38.34 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.95 0.405 . . . . 0.0 111.112 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.584 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -95.91 121.81 38.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.382 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.09 114.32 9.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.965 0.412 . . . . 0.0 111.883 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 47.0 46.3 15.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.347 178.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.584 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.62 18.95 69.45 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.338 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -134.11 139.99 46.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 117.13 0.465 . . . . 0.0 111.605 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.739 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.2 m95 -97.49 141.77 30.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -128.19 123.92 35.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.429 179.452 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.487 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 55.0 t-105 -90.87 152.43 20.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 13' ' ' NH2 . 1.0 OUTLIER 179.83 -101.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.823 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . 0.46 ' N ' ' CG ' ' A' ' 12' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.365 0 O-C-N 122.033 -0.417 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.809 0.338 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.75 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.7 m95 -108.74 150.88 26.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.3 OUTLIER -116.34 120.44 38.88 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.915 0.388 . . . . 0.0 111.128 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.583 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.7 t-105 -95.63 121.77 37.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.392 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.03 114.1 8.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 111.848 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.87 46.31 15.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.38 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.583 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.91 18.93 68.73 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.37 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 139.93 46.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.128 0.464 . . . . 0.0 111.51 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.75 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.9 m95 -97.56 142.01 29.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.262 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.2 123.89 35.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.364 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.463 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 57.7 t-105 -90.33 152.49 20.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.131 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -174.2 -5.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.81 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 O-C-N 121.987 -0.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.809 0.337 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.737 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 25.3 m95 -108.86 153.71 23.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.807 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -118.0 120.52 38.06 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.946 0.403 . . . . 0.0 111.048 -179.715 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.581 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.0 t-105 -95.27 121.8 37.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.347 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -140.08 114.98 9.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.996 0.426 . . . . 0.0 111.907 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.96 46.27 15.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.433 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.581 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.26 18.0 72.7 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.435 179.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HA ' ' NZ ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -134.05 139.8 46.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.166 0.483 . . . . 0.0 111.435 -179.845 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.737 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.9 m95 -96.7 140.73 30.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.045 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.14 123.86 35.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.325 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.471 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 55.1 t-105 -89.34 152.53 21.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.251 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.47 0.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.885 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 O-C-N 122.0 -0.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.857 0.36 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.767 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 31.9 m95 -106.89 149.5 27.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.409 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -117.58 120.6 38.55 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.945 0.402 . . . . 0.0 111.069 -179.77 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.573 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.7 t-105 -93.89 121.75 35.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.304 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -140.15 115.57 9.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.962 0.41 . . . . 0.0 111.861 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.99 46.23 15.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.445 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.573 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.47 17.24 74.01 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.393 -0.908 . . . . 0.0 113.435 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' HE2' ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -134.08 140.22 46.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.262 0.531 . . . . 0.0 111.568 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.767 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 12.6 m95 -95.21 143.8 26.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.21 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.25 123.97 35.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.503 179.41 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.48 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 57.0 t-105 -91.41 152.48 20.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.13 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -175.93 -58.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 O-C-N 121.954 -0.466 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.7 m . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.853 0.359 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.752 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.2 m95 -107.26 151.71 25.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.773 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 16.2 m -117.26 120.51 38.46 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.901 0.381 . . . . 0.0 111.032 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.581 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.8 t-105 -95.27 121.82 37.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.402 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.07 114.32 9.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.965 0.412 . . . . 0.0 111.883 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.88 46.28 15.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.458 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.581 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.78 18.8 69.4 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.344 -0.932 . . . . 0.0 113.403 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.14 139.98 46.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 117.113 0.457 . . . . 0.0 111.541 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.752 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.8 m95 -97.63 141.92 30.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.17 123.94 35.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.472 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.478 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.2 t-105 -90.43 152.46 20.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -178.22 101.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 O-C-N 121.992 -0.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.766 0.317 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.754 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 31.0 m95 -106.65 149.35 27.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.772 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -116.18 120.52 39.26 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.93 0.395 . . . . 0.0 111.084 -179.657 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.577 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.6 t-105 -95.21 121.83 37.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.362 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.13 113.99 8.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 111.871 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 46.85 46.25 15.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.386 178.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.577 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 81.04 18.92 68.45 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.338 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.04 139.98 46.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.141 0.47 . . . . 0.0 111.511 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.754 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.6 m95 -97.73 142.34 29.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.234 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.15 123.91 35.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.33 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.448 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 59.2 t-105 -90.46 152.58 20.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.172 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -169.25 102.3 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.878 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.376 0 O-C-N 122.05 -0.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.781 0.324 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.751 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 29.8 m95 -108.8 150.24 27.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -116.45 120.5 38.99 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.938 0.399 . . . . 0.0 111.046 -179.695 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.577 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.6 t-105 -94.99 121.77 36.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.324 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -140.17 114.53 9.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.991 0.424 . . . . 0.0 111.869 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 m120 46.84 46.29 15.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.444 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.577 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.72 17.89 71.83 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.459 179.014 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HA ' ' NZ ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -133.96 139.85 46.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.177 0.489 . . . . 0.0 111.399 -179.817 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.751 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.6 m95 -96.76 142.51 28.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.326 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.1 OUTLIER -128.21 123.89 35.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.362 179.341 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.46 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 59.4 t-105 -90.59 152.58 20.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.128 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.15 -156.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.86 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 O-C-N 121.98 -0.45 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.757 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.4 m95 -106.27 151.46 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 3.3 m -117.23 120.54 38.56 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.964 0.412 . . . . 0.0 111.066 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.582 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.8 t-105 -95.07 121.79 37.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.404 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -140.15 114.75 9.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.954 0.406 . . . . 0.0 111.852 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.87 46.28 15.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.439 178.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.582 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.54 17.99 72.02 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.449 -0.881 . . . . 0.0 113.448 179.028 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.405 ' HA ' ' NZ ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -134.01 139.89 46.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.151 0.475 . . . . 0.0 111.459 -179.819 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.757 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.5 m95 -96.71 142.87 28.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.233 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.21 124.02 35.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.477 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.489 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 54.9 t-105 -91.59 151.79 20.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.64 26.12 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.847 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 O-C-N 122.027 -0.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.84 0.352 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.731 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 45.2 m95 -105.48 150.26 25.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.792 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.812 HG23 ' OG1' ' A' ' 10' ' ' THR . 1.6 t -125.29 120.66 31.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.133 0.492 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.606 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.8 t-105 -90.54 121.96 32.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.51 -179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -139.96 113.49 8.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.987 0.422 . . . . 0.0 111.846 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 49.09 46.31 22.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.4 178.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.606 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 79.29 17.36 76.49 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.349 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.26 140.04 46.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 117.177 0.489 . . . . 0.0 111.911 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.731 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.6 m95 -98.15 140.88 31.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.76 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.812 ' OG1' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -128.12 123.91 35.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.865 0.364 . . . . 0.0 110.183 178.796 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.485 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 58.8 t-105 -89.42 149.63 22.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.986 0.422 . . . . 0.0 111.394 -179.232 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.78 -28.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.87 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 O-C-N 122.009 -0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.815 0.34 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.728 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 23.7 m95 -108.78 154.07 22.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -117.71 120.41 37.89 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.973 0.416 . . . . 0.0 111.057 -179.644 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.577 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -95.36 121.83 37.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.297 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.08 114.86 9.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.948 0.404 . . . . 0.0 111.9 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 46.97 46.16 15.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.406 178.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.577 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.51 17.91 72.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.335 -0.936 . . . . 0.0 113.382 179.013 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -134.06 139.79 46.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 117.217 0.508 . . . . 0.0 111.39 -179.83 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.728 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 15.1 m95 -96.64 140.3 31.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.22 123.78 35.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.267 179.329 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.46 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.4 t-105 -88.7 152.58 21.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.228 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -176.1 -156.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.802 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 O-C-N 122.0 -0.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.826 0.346 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.717 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 40.4 m95 -108.9 152.34 25.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.838 HG22 ' O ' ' A' ' 10' ' ' THR . 3.4 t -125.81 120.75 31.37 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.149 0.5 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.606 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.3 t-105 -90.83 121.94 33.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.447 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -140.0 115.06 9.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 0.0 111.913 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 m120 48.05 46.29 19.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.359 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.606 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 78.9 17.6 76.8 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.263 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -134.3 140.0 46.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.192 0.496 . . . . 0.0 111.923 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.717 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.1 m95 -98.01 139.92 33.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.756 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.838 ' O ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -128.14 123.83 35.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.734 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.468 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 63.9 t-105 -90.09 152.44 21.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.466 -179.276 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -143.79 -175.78 4.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.789 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 O-C-N 121.957 -0.465 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.816 0.341 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.75 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 30.1 m95 -108.86 150.46 27.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.429 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 21.4 m -116.98 120.53 38.7 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.989 0.423 . . . . 0.0 111.075 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.577 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -94.93 121.83 36.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.38 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -140.07 114.36 9.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.921 0.391 . . . . 0.0 111.851 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.93 46.24 15.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.422 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.577 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.81 18.6 69.83 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.379 -0.915 . . . . 0.0 113.394 179.076 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.07 139.93 46.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.145 0.473 . . . . 0.0 111.576 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.75 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.7 m95 -97.4 141.91 29.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.161 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.21 123.87 35.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.375 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.457 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 60.4 t-105 -90.26 152.6 20.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.73 1.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.89 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 O-C-N 121.947 -0.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.83 0.347 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.75 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.0 m95 -107.36 151.87 24.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.762 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.438 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 19.5 m -117.3 120.56 38.6 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.933 0.397 . . . . 0.0 111.033 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.58 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.8 t-105 -95.37 121.78 37.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.385 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -140.03 114.28 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.979 0.419 . . . . 0.0 111.874 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.89 46.27 15.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.408 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.58 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.82 18.83 69.22 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.445 -0.883 . . . . 0.0 113.34 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -134.1 139.96 46.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 117.134 0.467 . . . . 0.0 111.532 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.75 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.9 m95 -97.57 141.86 30.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.164 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.19 123.94 35.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.456 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.48 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.2 t-105 -90.41 152.44 20.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.46 126.67 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.868 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.368 0 O-C-N 122.001 -0.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.7 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.776 0.322 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.746 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 27.1 m95 -107.76 152.16 24.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.805 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 23.4 m -117.27 120.56 38.61 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.959 0.409 . . . . 0.0 111.055 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.582 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -95.31 121.82 37.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.329 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -140.15 114.8 9.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.991 0.424 . . . . 0.0 111.833 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.3 m120 46.93 46.26 15.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.394 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.582 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.53 18.06 71.89 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.41 -0.9 . . . . 0.0 113.43 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -134.03 139.84 46.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 117.234 0.517 . . . . 0.0 111.444 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.746 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.7 m95 -96.76 141.56 29.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.103 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.23 123.87 35.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.382 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.475 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 55.9 t-105 -90.18 152.51 21.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.76 107.96 0.06 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.877 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 O-C-N 121.999 -0.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.806 0.336 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.722 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.4 m95 -101.18 154.81 18.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.785 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.621 HG21 ' HD2' ' A' ' 12' ' ' LYS . 1.8 p -121.3 120.6 35.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.022 0.439 . . . . 0.0 111.004 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.591 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.2 t-105 -94.18 121.97 36.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.403 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -140.04 114.87 9.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.961 0.41 . . . . 0.0 111.886 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 47.38 46.26 17.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.401 178.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.591 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 79.98 18.25 72.81 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.326 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.15 139.96 46.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.18 0.49 . . . . 0.0 111.676 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.722 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.2 m95 -97.68 139.43 33.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.883 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.13 123.85 35.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.275 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.471 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.6 t-105 -88.43 150.54 23.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.308 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.621 ' HD2' HG21 ' A' ' 3' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.849 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.796 0.332 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.725 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 32.5 m95 -104.24 152.93 21.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.432 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 2.5 p -121.18 120.59 35.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.991 0.424 . . . . 0.0 111.015 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.591 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.0 t-105 -93.77 121.93 35.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.425 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -140.04 114.53 9.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.0 0.429 . . . . 0.0 111.873 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 47.48 46.26 17.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.379 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.591 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.11 18.34 72.24 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.392 -0.909 . . . . 0.0 113.321 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.15 139.91 46.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 117.173 0.486 . . . . 0.0 111.708 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.725 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.0 m95 -98.03 139.66 33.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.929 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.14 123.81 35.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.252 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.464 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.0 t-105 -88.27 152.5 21.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.314 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.4 mttt . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.861 179.846 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.811 0.339 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.759 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 31.5 m95 -108.61 149.56 28.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.764 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 22.6 m -116.92 120.57 38.85 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.921 0.391 . . . . 0.0 111.074 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.577 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.6 t-105 -95.06 121.86 37.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.369 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -140.12 113.95 8.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.932 0.396 . . . . 0.0 111.832 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.96 46.22 15.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.384 178.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.577 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 81.19 18.69 68.67 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.401 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -134.07 140.02 46.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.127 0.464 . . . . 0.0 111.529 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.759 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.6 m95 -97.67 143.28 28.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.175 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.1 OUTLIER -128.2 123.99 35.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.537 179.456 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.492 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 55.6 t-105 -91.99 151.54 20.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.108 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.828 0.347 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.749 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.1 m95 -108.79 151.14 26.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.8 OUTLIER -116.62 120.51 38.89 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.92 0.391 . . . . 0.0 111.143 -179.748 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.581 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -95.37 121.87 37.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.341 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -140.16 114.37 9.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.949 0.404 . . . . 0.0 111.836 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 m120 46.92 46.28 15.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.405 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.581 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.71 18.77 69.65 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.356 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.09 140.01 46.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 117.152 0.476 . . . . 0.0 111.521 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.749 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.6 m95 -97.27 142.15 29.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.184 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.19 123.87 35.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.385 179.385 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.469 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 58.8 t-105 -90.55 152.59 20.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.088 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.86 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.816 0.341 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.692 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 17.5 m95 -103.05 158.62 16.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.418 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -121.29 120.62 35.65 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.134 0.492 . . . . 0.0 111.155 -179.729 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.599 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.4 t-105 -95.47 121.92 37.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.312 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -140.0 115.15 9.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.968 0.413 . . . . 0.0 111.902 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.93 46.22 15.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.343 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.599 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 79.71 19.89 69.74 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.408 -0.901 . . . . 0.0 113.176 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.409 ' HD3' ' N ' ' A' ' 9' ' ' TRP . 0.4 OUTLIER -134.16 139.55 45.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 117.07 0.435 . . . . 0.0 111.701 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.692 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 15.0 m95 -99.24 128.51 45.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.4 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.3 p -121.45 123.68 42.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.926 0.393 . . . . 0.0 110.168 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.443 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 59.5 t-105 -85.56 152.53 23.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.437 -179.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.883 179.858 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.0 m . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.824 0.345 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.754 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 30.0 m95 -104.72 150.67 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.77 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 21.3 m -117.05 120.54 38.68 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.946 0.403 . . . . 0.0 111.052 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.581 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.7 t-105 -95.38 121.76 37.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.374 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -140.05 114.11 8.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.962 0.411 . . . . 0.0 111.802 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.92 46.24 15.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.432 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.581 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 81.0 18.85 68.69 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.427 -0.892 . . . . 0.0 113.386 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -134.1 140.01 46.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 117.121 0.461 . . . . 0.0 111.584 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.754 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.7 m95 -97.65 142.64 29.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.21 123.94 35.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.486 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.483 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 54.9 t-105 -91.41 152.5 20.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.097 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.817 0.342 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.739 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 25.7 m95 -106.14 153.31 22.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.797 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 19.5 m -117.55 120.53 38.34 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.95 0.405 . . . . 0.0 111.112 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.584 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -95.91 121.81 38.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.382 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.09 114.32 9.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.965 0.412 . . . . 0.0 111.883 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 47.0 46.3 15.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.347 178.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.584 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.62 18.95 69.45 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.338 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -134.11 139.99 46.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 117.13 0.465 . . . . 0.0 111.605 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.739 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.2 m95 -97.49 141.77 30.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -128.19 123.92 35.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.429 179.452 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.487 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 55.0 t-105 -90.87 152.43 20.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.809 0.338 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.75 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.7 m95 -108.74 150.88 26.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.3 OUTLIER -116.34 120.44 38.88 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.915 0.388 . . . . 0.0 111.128 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.583 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.7 t-105 -95.63 121.77 37.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.392 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.03 114.1 8.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 111.848 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.87 46.31 15.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.38 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.583 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.91 18.93 68.73 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.37 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 139.93 46.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.128 0.464 . . . . 0.0 111.51 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.75 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.9 m95 -97.56 142.01 29.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.262 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.2 123.89 35.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.364 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.463 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 57.7 t-105 -90.33 152.49 20.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.131 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.81 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.809 0.337 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.737 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 25.3 m95 -108.86 153.71 23.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.807 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -118.0 120.52 38.06 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.946 0.403 . . . . 0.0 111.048 -179.715 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.581 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.0 t-105 -95.27 121.8 37.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.347 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -140.08 114.98 9.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.996 0.426 . . . . 0.0 111.907 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.96 46.27 15.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.433 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.581 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.26 18.0 72.7 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.435 179.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HA ' ' NZ ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -134.05 139.8 46.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.166 0.483 . . . . 0.0 111.435 -179.845 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.737 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.9 m95 -96.7 140.73 30.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.045 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.14 123.86 35.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.325 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.471 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 55.1 t-105 -89.34 152.53 21.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.251 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.885 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.857 0.36 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.767 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 31.9 m95 -106.89 149.5 27.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.409 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -117.58 120.6 38.55 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.945 0.402 . . . . 0.0 111.069 -179.77 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.573 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.7 t-105 -93.89 121.75 35.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.304 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -140.15 115.57 9.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.962 0.41 . . . . 0.0 111.861 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.99 46.23 15.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.445 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.573 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.47 17.24 74.01 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.393 -0.908 . . . . 0.0 113.435 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.418 ' HE2' ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -134.08 140.22 46.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.262 0.531 . . . . 0.0 111.568 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.767 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 12.6 m95 -95.21 143.8 26.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.21 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.25 123.97 35.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.503 179.41 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.48 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 57.0 t-105 -91.41 152.48 20.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.13 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.887 179.869 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.7 m . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.853 0.359 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.752 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.2 m95 -107.26 151.71 25.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.773 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 16.2 m -117.26 120.51 38.46 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.901 0.381 . . . . 0.0 111.032 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.581 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.8 t-105 -95.27 121.82 37.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.402 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.07 114.32 9.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.965 0.412 . . . . 0.0 111.883 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.88 46.28 15.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.458 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.581 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.78 18.8 69.4 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.344 -0.932 . . . . 0.0 113.403 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.14 139.98 46.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 117.113 0.457 . . . . 0.0 111.541 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.752 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.8 m95 -97.63 141.92 30.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.17 123.94 35.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.472 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.478 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.2 t-105 -90.43 152.46 20.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 179.839 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.766 0.317 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.754 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 31.0 m95 -106.65 149.35 27.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.772 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -116.18 120.52 39.26 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.93 0.395 . . . . 0.0 111.084 -179.657 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.577 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.6 t-105 -95.21 121.83 37.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.362 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.13 113.99 8.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 111.871 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 46.85 46.25 15.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.386 178.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.577 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 81.04 18.92 68.45 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.338 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.04 139.98 46.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.141 0.47 . . . . 0.0 111.511 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.754 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.6 m95 -97.73 142.34 29.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.234 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.15 123.91 35.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.33 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.448 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 59.2 t-105 -90.46 152.58 20.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.172 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 mttp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.878 179.756 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.781 0.324 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.751 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 29.8 m95 -108.8 150.24 27.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -116.45 120.5 38.99 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.938 0.399 . . . . 0.0 111.046 -179.695 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.577 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.6 t-105 -94.99 121.77 36.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.324 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -140.17 114.53 9.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.991 0.424 . . . . 0.0 111.869 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 m120 46.84 46.29 15.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.444 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.577 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.72 17.89 71.83 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.459 179.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HA ' ' NZ ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -133.96 139.85 46.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.177 0.489 . . . . 0.0 111.399 -179.817 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.751 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.6 m95 -96.76 142.51 28.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.326 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.1 OUTLIER -128.21 123.89 35.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.362 179.341 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.46 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 59.4 t-105 -90.59 152.58 20.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.128 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.86 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.757 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.4 m95 -106.27 151.46 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 3.3 m -117.23 120.54 38.56 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.964 0.412 . . . . 0.0 111.066 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.582 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.8 t-105 -95.07 121.79 37.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.404 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -140.15 114.75 9.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.954 0.406 . . . . 0.0 111.852 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.87 46.28 15.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.439 178.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.582 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.54 17.99 72.02 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.449 -0.881 . . . . 0.0 113.448 179.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.405 ' HA ' ' NZ ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -134.01 139.89 46.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.151 0.475 . . . . 0.0 111.459 -179.819 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.757 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.5 m95 -96.71 142.87 28.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.233 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.21 124.02 35.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.477 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.489 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 54.9 t-105 -91.59 151.79 20.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.847 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.84 0.352 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.731 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 45.2 m95 -105.48 150.26 25.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.792 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.812 HG23 ' OG1' ' A' ' 10' ' ' THR . 1.6 t -125.29 120.66 31.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.133 0.492 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.606 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.8 t-105 -90.54 121.96 32.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.51 -179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -139.96 113.49 8.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.987 0.422 . . . . 0.0 111.846 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 49.09 46.31 22.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.4 178.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.606 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 79.29 17.36 76.49 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.349 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.26 140.04 46.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 117.177 0.489 . . . . 0.0 111.911 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.731 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.6 m95 -98.15 140.88 31.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.76 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.812 ' OG1' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -128.12 123.91 35.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.865 0.364 . . . . 0.0 110.183 178.796 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.485 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 58.8 t-105 -89.42 149.63 22.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.986 0.422 . . . . 0.0 111.394 -179.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.87 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.815 0.34 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.728 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 23.7 m95 -108.78 154.07 22.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -117.71 120.41 37.89 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.973 0.416 . . . . 0.0 111.057 -179.644 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.577 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -95.36 121.83 37.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.297 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.08 114.86 9.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.948 0.404 . . . . 0.0 111.9 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 46.97 46.16 15.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.406 178.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.577 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.51 17.91 72.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.335 -0.936 . . . . 0.0 113.382 179.013 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.412 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -134.06 139.79 46.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 117.217 0.508 . . . . 0.0 111.39 -179.83 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.728 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 15.1 m95 -96.64 140.3 31.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.22 123.78 35.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.267 179.329 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.46 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.4 t-105 -88.7 152.58 21.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.228 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.7 mttp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.802 179.879 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.826 0.346 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.717 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 40.4 m95 -108.9 152.34 25.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.838 HG22 ' O ' ' A' ' 10' ' ' THR . 3.4 t -125.81 120.75 31.37 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.149 0.5 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.606 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.3 t-105 -90.83 121.94 33.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.447 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -140.0 115.06 9.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 0.0 111.913 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 m120 48.05 46.29 19.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.359 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.606 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 78.9 17.6 76.8 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.263 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -134.3 140.0 46.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.192 0.496 . . . . 0.0 111.923 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.717 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.1 m95 -98.01 139.92 33.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.756 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.838 ' O ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -128.14 123.83 35.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.734 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.468 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 63.9 t-105 -90.09 152.44 21.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.466 -179.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.789 179.486 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.816 0.341 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.75 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 30.1 m95 -108.86 150.46 27.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.429 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 21.4 m -116.98 120.53 38.7 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.989 0.423 . . . . 0.0 111.075 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.577 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -94.93 121.83 36.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.38 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -140.07 114.36 9.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.921 0.391 . . . . 0.0 111.851 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.93 46.24 15.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.422 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.577 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.81 18.6 69.83 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.379 -0.915 . . . . 0.0 113.394 179.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.07 139.93 46.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.145 0.473 . . . . 0.0 111.576 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.75 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.7 m95 -97.4 141.91 29.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.161 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.21 123.87 35.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.375 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.457 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 60.4 t-105 -90.26 152.6 20.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.89 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.83 0.347 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.75 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.0 m95 -107.36 151.87 24.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.762 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.438 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 19.5 m -117.3 120.56 38.6 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.933 0.397 . . . . 0.0 111.033 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.58 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.8 t-105 -95.37 121.78 37.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.385 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -140.03 114.28 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.979 0.419 . . . . 0.0 111.874 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.89 46.27 15.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.408 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.58 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.82 18.83 69.22 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.445 -0.883 . . . . 0.0 113.34 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -134.1 139.96 46.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 117.134 0.467 . . . . 0.0 111.532 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.75 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.9 m95 -97.57 141.86 30.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.164 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.19 123.94 35.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.456 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.48 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.2 t-105 -90.41 152.44 20.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.868 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.7 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.776 0.322 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.746 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 27.1 m95 -107.76 152.16 24.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.805 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 23.4 m -117.27 120.56 38.61 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.959 0.409 . . . . 0.0 111.055 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.582 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -95.31 121.82 37.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.329 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -140.15 114.8 9.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.991 0.424 . . . . 0.0 111.833 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.3 m120 46.93 46.26 15.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.394 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.582 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.53 18.06 71.89 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.41 -0.9 . . . . 0.0 113.43 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.415 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -134.03 139.84 46.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 117.234 0.517 . . . . 0.0 111.444 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.746 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.7 m95 -96.76 141.56 29.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.103 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.23 123.87 35.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.382 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.475 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 55.9 t-105 -90.18 152.51 21.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.877 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.806 0.336 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.722 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.4 m95 -101.18 154.81 18.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.785 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.621 HG21 ' HD2' ' A' ' 12' ' ' LYS . 1.8 p -121.3 120.6 35.58 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.022 0.439 . . . . 0.0 111.004 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.591 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.2 t-105 -94.18 121.97 36.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.403 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -140.04 114.87 9.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.961 0.41 . . . . 0.0 111.886 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 47.38 46.26 17.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.401 178.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.591 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 79.98 18.25 72.81 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.326 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.15 139.96 46.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.18 0.49 . . . . 0.0 111.676 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.722 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.2 m95 -97.68 139.43 33.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.883 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.13 123.85 35.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.275 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.471 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.6 t-105 -88.43 150.54 23.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.308 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.621 ' HD2' HG21 ' A' ' 3' ' ' THR . 0.9 OUTLIER 177.79 107.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.849 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 O-C-N 121.979 -0.451 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.796 0.332 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.725 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 32.5 m95 -104.24 152.93 21.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.823 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.432 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 2.5 p -121.18 120.59 35.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.991 0.424 . . . . 0.0 111.015 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.591 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.0 t-105 -93.77 121.93 35.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.425 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -140.04 114.53 9.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.0 0.429 . . . . 0.0 111.873 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 47.48 46.26 17.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.379 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.591 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.11 18.34 72.24 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.392 -0.909 . . . . 0.0 113.321 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.15 139.91 46.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 117.173 0.486 . . . . 0.0 111.708 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.725 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.0 m95 -98.03 139.66 33.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.929 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.14 123.81 35.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.252 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.464 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.0 t-105 -88.27 152.5 21.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.314 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -178.86 -166.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.861 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 O-C-N 122.023 -0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.811 0.339 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.759 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 31.5 m95 -108.61 149.56 28.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.764 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 22.6 m -116.92 120.57 38.85 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.921 0.391 . . . . 0.0 111.074 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.577 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.6 t-105 -95.06 121.86 37.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.369 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -140.12 113.95 8.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.932 0.396 . . . . 0.0 111.832 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.96 46.22 15.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.384 178.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.577 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 81.19 18.69 68.67 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.401 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -134.07 140.02 46.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 117.127 0.464 . . . . 0.0 111.529 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.759 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.6 m95 -97.67 143.28 28.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.175 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.1 OUTLIER -128.2 123.99 35.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.537 179.456 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.492 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 55.6 t-105 -91.99 151.54 20.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.108 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.8 -55.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 O-C-N 122.008 -0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.828 0.347 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.749 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.1 m95 -108.79 151.14 26.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.8 OUTLIER -116.62 120.51 38.89 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.92 0.391 . . . . 0.0 111.143 -179.748 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.581 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -95.37 121.87 37.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.341 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -140.16 114.37 9.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.949 0.404 . . . . 0.0 111.836 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 m120 46.92 46.28 15.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.405 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.581 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.71 18.77 69.65 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.356 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.09 140.01 46.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 117.152 0.476 . . . . 0.0 111.521 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.749 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.6 m95 -97.27 142.15 29.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.184 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.19 123.87 35.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.385 179.385 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.469 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 58.8 t-105 -90.55 152.59 20.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.088 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -171.42 -58.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.86 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 O-C-N 122.036 -0.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.816 0.341 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.692 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 17.5 m95 -103.05 158.62 16.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.418 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -121.29 120.62 35.65 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.134 0.492 . . . . 0.0 111.155 -179.729 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.599 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.4 t-105 -95.47 121.92 37.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.312 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -140.0 115.15 9.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.968 0.413 . . . . 0.0 111.902 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.93 46.22 15.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.343 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.599 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 79.71 19.89 69.74 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.408 -0.901 . . . . 0.0 113.176 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' HD3' ' N ' ' A' ' 9' ' ' TRP . 0.4 OUTLIER -134.16 139.55 45.95 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 117.07 0.435 . . . . 0.0 111.701 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.692 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 15.0 m95 -99.24 128.51 45.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.4 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.3 p -121.45 123.68 42.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.926 0.393 . . . . 0.0 110.168 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.443 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 59.5 t-105 -85.56 152.53 23.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.437 -179.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -172.3 111.41 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.883 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 O-C-N 122.01 -0.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.0 m . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.824 0.345 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.754 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 30.0 m95 -104.72 150.67 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.77 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 21.3 m -117.05 120.54 38.68 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.946 0.403 . . . . 0.0 111.052 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.581 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.7 t-105 -95.38 121.76 37.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.374 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -140.05 114.11 8.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.962 0.411 . . . . 0.0 111.802 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.92 46.24 15.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.432 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.581 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 81.0 18.85 68.69 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.427 -0.892 . . . . 0.0 113.386 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -134.1 140.01 46.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 117.121 0.461 . . . . 0.0 111.584 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.754 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.7 m95 -97.65 142.64 29.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.21 123.94 35.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.486 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.483 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 54.9 t-105 -91.41 152.5 20.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.097 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.91 73.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.891 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 O-C-N 121.989 -0.445 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.817 0.342 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.739 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 25.7 m95 -106.14 153.31 22.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.797 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 19.5 m -117.55 120.53 38.34 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.95 0.405 . . . . 0.0 111.112 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.584 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -95.91 121.81 38.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.382 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.09 114.32 9.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.965 0.412 . . . . 0.0 111.883 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 47.0 46.3 15.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.347 178.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.584 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.62 18.95 69.45 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.338 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -134.11 139.99 46.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 117.13 0.465 . . . . 0.0 111.605 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.739 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.2 m95 -97.49 141.77 30.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -128.19 123.92 35.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.429 179.452 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.487 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 55.0 t-105 -90.87 152.43 20.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 13' ' ' NH2 . 1.0 OUTLIER 179.83 -101.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.823 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . 0.46 ' N ' ' CG ' ' A' ' 12' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.365 0 O-C-N 122.033 -0.417 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.809 0.338 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.75 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.7 m95 -108.74 150.88 26.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.3 OUTLIER -116.34 120.44 38.88 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.915 0.388 . . . . 0.0 111.128 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.583 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.7 t-105 -95.63 121.77 37.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.392 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.03 114.1 8.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 111.848 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.87 46.31 15.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.38 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.583 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.91 18.93 68.73 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.37 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 139.93 46.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.128 0.464 . . . . 0.0 111.51 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.75 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.9 m95 -97.56 142.01 29.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.262 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.2 123.89 35.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.364 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.463 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 57.7 t-105 -90.33 152.49 20.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.131 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -174.2 -5.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.81 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 O-C-N 121.987 -0.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.809 0.337 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.737 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 25.3 m95 -108.86 153.71 23.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.807 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -118.0 120.52 38.06 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.946 0.403 . . . . 0.0 111.048 -179.715 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.581 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.0 t-105 -95.27 121.8 37.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.347 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -140.08 114.98 9.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.996 0.426 . . . . 0.0 111.907 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.96 46.27 15.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.433 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.581 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.26 18.0 72.7 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.435 179.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HA ' ' NZ ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -134.05 139.8 46.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.166 0.483 . . . . 0.0 111.435 -179.845 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.737 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.9 m95 -96.7 140.73 30.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.045 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.14 123.86 35.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.325 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.471 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 55.1 t-105 -89.34 152.53 21.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.251 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.47 0.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.885 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 O-C-N 122.0 -0.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.857 0.36 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.767 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 31.9 m95 -106.89 149.5 27.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.409 ' C ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -117.58 120.6 38.55 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.945 0.402 . . . . 0.0 111.069 -179.77 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.573 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.7 t-105 -93.89 121.75 35.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.304 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -140.15 115.57 9.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.962 0.41 . . . . 0.0 111.861 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.99 46.23 15.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.445 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.573 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.47 17.24 74.01 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.393 -0.908 . . . . 0.0 113.435 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' HE2' ' HA ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -134.08 140.22 46.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.262 0.531 . . . . 0.0 111.568 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.767 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 12.6 m95 -95.21 143.8 26.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.21 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.25 123.97 35.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.503 179.41 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.48 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 57.0 t-105 -91.41 152.48 20.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.13 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -175.93 -58.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 O-C-N 121.954 -0.466 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.7 m . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.853 0.359 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.752 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.2 m95 -107.26 151.71 25.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.773 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 16.2 m -117.26 120.51 38.46 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.901 0.381 . . . . 0.0 111.032 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.581 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.8 t-105 -95.27 121.82 37.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.402 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.07 114.32 9.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.965 0.412 . . . . 0.0 111.883 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.88 46.28 15.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.458 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.581 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.78 18.8 69.4 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.344 -0.932 . . . . 0.0 113.403 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.14 139.98 46.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 117.113 0.457 . . . . 0.0 111.541 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.752 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.8 m95 -97.63 141.92 30.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.17 123.94 35.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.472 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.478 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.2 t-105 -90.43 152.46 20.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -178.22 101.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 O-C-N 121.992 -0.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.766 0.317 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.754 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 31.0 m95 -106.65 149.35 27.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.772 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -116.18 120.52 39.26 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.93 0.395 . . . . 0.0 111.084 -179.657 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.577 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.6 t-105 -95.21 121.83 37.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.362 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.13 113.99 8.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 111.871 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 46.85 46.25 15.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.386 178.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.577 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 81.04 18.92 68.45 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.338 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.04 139.98 46.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.141 0.47 . . . . 0.0 111.511 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.754 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.6 m95 -97.73 142.34 29.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.234 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.15 123.91 35.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.33 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.448 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 59.2 t-105 -90.46 152.58 20.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.172 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -169.25 102.3 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.878 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.376 0 O-C-N 122.05 -0.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.781 0.324 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.751 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 29.8 m95 -108.8 150.24 27.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -116.45 120.5 38.99 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.938 0.399 . . . . 0.0 111.046 -179.695 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.577 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.6 t-105 -94.99 121.77 36.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.324 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -140.17 114.53 9.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.991 0.424 . . . . 0.0 111.869 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 m120 46.84 46.29 15.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.444 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.577 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.72 17.89 71.83 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.459 179.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HA ' ' NZ ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -133.96 139.85 46.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 117.177 0.489 . . . . 0.0 111.399 -179.817 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.751 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.6 m95 -96.76 142.51 28.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.326 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.1 OUTLIER -128.21 123.89 35.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.362 179.341 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.46 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 59.4 t-105 -90.59 152.58 20.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.128 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.15 -156.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.86 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 O-C-N 121.98 -0.45 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.757 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.4 m95 -106.27 151.46 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 3.3 m -117.23 120.54 38.56 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.964 0.412 . . . . 0.0 111.066 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.582 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.8 t-105 -95.07 121.79 37.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.404 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -140.15 114.75 9.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.954 0.406 . . . . 0.0 111.852 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.87 46.28 15.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.439 178.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.582 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.54 17.99 72.02 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.449 -0.881 . . . . 0.0 113.448 179.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.405 ' HA ' ' NZ ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -134.01 139.89 46.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.151 0.475 . . . . 0.0 111.459 -179.819 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.757 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.5 m95 -96.71 142.87 28.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.233 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.21 124.02 35.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.477 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.489 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 54.9 t-105 -91.59 151.79 20.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.64 26.12 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.847 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 O-C-N 122.027 -0.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.84 0.352 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.731 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 45.2 m95 -105.48 150.26 25.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.792 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.812 HG23 ' OG1' ' A' ' 10' ' ' THR . 1.6 t -125.29 120.66 31.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.133 0.492 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.606 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.8 t-105 -90.54 121.96 32.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.51 -179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -139.96 113.49 8.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.987 0.422 . . . . 0.0 111.846 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 49.09 46.31 22.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.4 178.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.606 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 79.29 17.36 76.49 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.349 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.26 140.04 46.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 117.177 0.489 . . . . 0.0 111.911 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.731 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.6 m95 -98.15 140.88 31.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.76 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.812 ' OG1' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -128.12 123.91 35.62 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.865 0.364 . . . . 0.0 110.183 178.796 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.485 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 58.8 t-105 -89.42 149.63 22.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.986 0.422 . . . . 0.0 111.394 -179.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.78 -28.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.87 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 O-C-N 122.009 -0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.815 0.34 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.728 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 23.7 m95 -108.78 154.07 22.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -117.71 120.41 37.89 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.973 0.416 . . . . 0.0 111.057 -179.644 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.577 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -95.36 121.83 37.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.297 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.08 114.86 9.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.948 0.404 . . . . 0.0 111.9 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 46.97 46.16 15.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.406 178.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.577 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.51 17.91 72.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.335 -0.936 . . . . 0.0 113.382 179.013 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -134.06 139.79 46.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 117.217 0.508 . . . . 0.0 111.39 -179.83 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.728 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 15.1 m95 -96.64 140.3 31.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER -128.22 123.78 35.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.267 179.329 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.46 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.4 t-105 -88.7 152.58 21.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.228 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -176.1 -156.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.802 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 O-C-N 122.0 -0.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.826 0.346 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.717 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 40.4 m95 -108.9 152.34 25.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.838 HG22 ' O ' ' A' ' 10' ' ' THR . 3.4 t -125.81 120.75 31.37 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.149 0.5 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.606 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 6.3 t-105 -90.83 121.94 33.12 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.447 -179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -140.0 115.06 9.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 0.0 111.913 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.4 m120 48.05 46.29 19.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.359 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.606 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 78.9 17.6 76.8 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.263 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -134.3 140.0 46.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.192 0.496 . . . . 0.0 111.923 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.717 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.1 m95 -98.01 139.92 33.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.756 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.838 ' O ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -128.14 123.83 35.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.734 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.468 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 63.9 t-105 -90.09 152.44 21.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.466 -179.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -143.79 -175.78 4.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.789 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 O-C-N 121.957 -0.465 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.816 0.341 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.75 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 30.1 m95 -108.86 150.46 27.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.429 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 21.4 m -116.98 120.53 38.7 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.989 0.423 . . . . 0.0 111.075 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.577 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -94.93 121.83 36.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.38 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -140.07 114.36 9.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.921 0.391 . . . . 0.0 111.851 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.93 46.24 15.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.422 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.577 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.81 18.6 69.83 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.379 -0.915 . . . . 0.0 113.394 179.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.07 139.93 46.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.145 0.473 . . . . 0.0 111.576 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.75 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.7 m95 -97.4 141.91 29.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.161 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.21 123.87 35.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.375 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.457 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 60.4 t-105 -90.26 152.6 20.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.73 1.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.89 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 O-C-N 121.947 -0.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.83 0.347 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.75 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 28.0 m95 -107.36 151.87 24.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.762 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.438 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 19.5 m -117.3 120.56 38.6 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.933 0.397 . . . . 0.0 111.033 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.58 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.8 t-105 -95.37 121.78 37.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.385 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -140.03 114.28 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.979 0.419 . . . . 0.0 111.874 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.89 46.27 15.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.408 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.58 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.82 18.83 69.22 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.445 -0.883 . . . . 0.0 113.34 179.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -134.1 139.96 46.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 117.134 0.467 . . . . 0.0 111.532 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.75 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 13.9 m95 -97.57 141.86 30.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.164 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.19 123.94 35.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.456 179.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.48 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 56.2 t-105 -90.41 152.44 20.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.46 126.67 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.868 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.368 0 O-C-N 122.001 -0.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.7 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.776 0.322 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.746 ' CE3' ' HB3' ' A' ' 9' ' ' TRP . 27.1 m95 -107.76 152.16 24.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.805 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 9' ' ' TRP . 23.4 m -117.27 120.56 38.61 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.959 0.409 . . . . 0.0 111.055 -179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.582 ' CZ2' ' HA2' ' A' ' 7' ' ' GLY . 5.9 t-105 -95.31 121.82 37.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.329 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -140.15 114.8 9.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.991 0.424 . . . . 0.0 111.833 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.3 m120 46.93 46.26 15.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.394 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.582 ' HA2' ' CZ2' ' A' ' 4' ' ' TRP . . . 80.53 18.06 71.89 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.41 -0.9 . . . . 0.0 113.43 179.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' NZ ' ' HA ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -134.03 139.84 46.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 117.234 0.517 . . . . 0.0 111.444 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.746 ' HB3' ' CE3' ' A' ' 2' ' ' TRP . 14.7 m95 -96.76 141.56 29.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.103 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.23 123.87 35.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.382 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.475 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 55.9 t-105 -90.18 152.51 21.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.76 107.96 0.06 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.877 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 O-C-N 121.999 -0.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_