==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSCRIPTION 21-DEC-07 3BRT . COMPND 2 MOLECULE: INHIBITOR OF NUCLEAR FACTOR KAPPA-B KINASE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.F.SILVIAN . 205 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12492.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 85.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 4 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 77.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 705 A S 0 0 50 0, 0.0 52,-0.1 0, 0.0 159,-0.0 0.000 360.0 360.0 360.0 70.1 -11.8 -3.6 -7.4 2 706 A E > + 0 0 137 50,-0.0 4,-1.1 51,-0.0 5,-0.1 -0.596 360.0 64.8-107.3 34.5 -13.0 -3.3 -4.6 3 707 A E H > S+ 0 0 169 2,-0.2 4,-2.5 3,-0.1 5,-0.1 0.884 107.6 49.0 -65.9 -44.0 -9.7 -4.7 -3.6 4 708 A L H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.918 108.2 50.3 -54.6 -54.0 -8.7 -1.4 -5.2 5 709 A V H > S+ 0 0 32 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.816 114.7 44.4 -60.9 -32.6 -11.2 0.6 -3.1 6 710 A A H X S+ 0 0 49 -4,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.861 111.5 53.4 -79.6 -34.3 -9.9 -1.0 0.1 7 711 A E H X S+ 0 0 39 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.850 107.7 51.8 -68.4 -31.4 -6.3 -0.6 -0.9 8 712 A A H X S+ 0 0 7 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.888 106.3 51.4 -73.8 -39.3 -6.8 3.1 -1.5 9 713 A H H X S+ 0 0 135 -4,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.878 114.0 46.7 -66.3 -32.1 -8.4 3.7 2.0 10 714 A N H X S+ 0 0 56 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.880 109.7 51.1 -77.6 -40.9 -5.5 2.0 3.5 11 715 A L H X S+ 0 0 11 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.908 112.5 49.3 -55.7 -46.2 -2.9 3.9 1.5 12 716 A C H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.877 108.5 51.7 -63.3 -40.1 -4.6 7.1 2.6 13 717 A T H X S+ 0 0 50 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.899 111.3 47.4 -63.6 -45.1 -4.6 6.0 6.3 14 718 A L H X S+ 0 0 69 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.853 111.4 52.1 -57.0 -45.8 -0.9 5.3 6.1 15 719 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.934 110.3 47.0 -60.7 -47.2 -0.4 8.7 4.4 16 720 A E H X S+ 0 0 65 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.889 115.0 46.3 -66.0 -42.0 -2.3 10.6 7.1 17 721 A N H X S+ 0 0 89 -4,-2.2 4,-2.3 2,-0.2 3,-0.4 0.981 112.0 50.9 -57.9 -60.7 -0.4 8.8 9.9 18 722 A A H X S+ 0 0 3 -4,-2.9 4,-1.8 1,-0.3 -2,-0.2 0.893 114.4 43.4 -45.6 -52.5 3.0 9.3 8.2 19 723 A I H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -1,-0.3 0.836 109.5 58.5 -66.4 -29.2 2.4 13.1 7.7 20 724 A Q H < S+ 0 0 77 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.931 111.8 39.2 -68.3 -40.5 1.0 13.3 11.3 21 725 A D H X S+ 0 0 98 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.709 116.1 51.7 -79.5 -25.8 4.2 12.1 12.8 22 726 A T H X S+ 0 0 10 -4,-1.8 4,-0.8 -5,-0.3 -2,-0.2 0.946 115.2 42.6 -65.7 -53.5 6.4 14.1 10.3 23 727 A V H < S+ 0 0 23 -4,-3.0 4,-0.3 -5,-0.2 -2,-0.2 0.471 110.4 62.9 -70.8 -4.0 4.4 17.2 11.2 24 728 A R H >4 S+ 0 0 52 2,-0.2 3,-3.0 -5,-0.1 4,-0.3 0.960 93.9 51.5 -84.3 -62.5 4.6 16.3 14.9 25 729 A E H >< S+ 0 0 65 -4,-1.1 3,-1.3 1,-0.3 -2,-0.1 0.726 100.0 69.4 -47.5 -31.6 8.3 16.3 15.9 26 730 A Q T 3< S+ 0 0 61 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.832 82.1 75.3 -48.3 -42.2 8.4 19.8 14.3 27 731 A G T < S+ 0 0 49 -3,-3.0 2,-1.1 -4,-0.3 -1,-0.2 0.730 84.7 65.3 -46.0 -31.4 6.2 20.9 17.3 28 732 A N S < S+ 0 0 127 -3,-1.3 2,-0.3 -4,-0.3 -1,-0.2 -0.712 81.2 179.9 -97.8 85.1 9.3 20.7 19.6 29 733 A S > - 0 0 26 -2,-1.1 3,-2.0 1,-0.1 -3,-0.1 -0.634 38.4-134.2 -95.4 139.5 11.2 23.6 17.9 30 734 A M G > S+ 0 0 10 -2,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.522 99.1 82.7 -71.8 -3.3 14.6 24.8 18.9 31 735 A M G 3 S+ 0 0 89 1,-0.2 -1,-0.3 3,-0.0 4,-0.2 0.755 85.1 60.2 -65.1 -20.4 13.2 28.3 18.6 32 736 A N G < S+ 0 0 133 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.376 85.7 100.7 -88.9 1.0 11.8 27.6 22.2 33 737 A L S < S- 0 0 60 -3,-1.2 2,-1.0 1,-0.1 3,-0.0 -0.396 88.3 -92.5 -81.2 165.7 15.2 27.1 23.7 34 738 A D + 0 0 100 1,-0.2 3,-0.3 -2,-0.1 -2,-0.1 -0.723 48.6 163.3 -78.7 105.0 17.1 29.7 25.7 35 739 A W > + 0 0 19 -2,-1.0 3,-2.3 -4,-0.2 4,-0.3 0.381 43.3 108.1 -96.0 2.3 19.3 31.5 23.3 36 740 A S G > + 0 0 67 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.636 60.1 75.7 -59.4 -20.3 19.9 34.5 25.7 37 741 A W G 3 S+ 0 0 43 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.557 87.4 65.3 -66.1 -10.4 23.6 33.5 26.3 38 742 A L G < 0 0 23 -3,-2.3 -1,-0.3 57,-0.0 -2,-0.2 0.806 360.0 360.0 -73.7 -31.2 24.2 34.9 22.9 39 743 A T < 0 0 163 -3,-1.3 -2,-0.2 -4,-0.3 -3,-0.1 0.803 360.0 360.0-113.0 360.0 23.2 38.3 24.2 40 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 41 49 B E > 0 0 164 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 139.2 -29.0 -7.3 -14.3 42 50 B T H > + 0 0 72 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.740 360.0 55.7 -71.5 -27.5 -25.7 -5.9 -15.8 43 51 B L H >> S+ 0 0 54 2,-0.2 4,-2.6 1,-0.1 3,-0.5 0.983 107.9 44.2 -68.7 -58.9 -26.9 -2.2 -15.6 44 52 B Q H 3> S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.870 114.1 54.0 -53.4 -39.2 -27.8 -2.0 -11.9 45 53 B R H 3X S+ 0 0 166 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.869 111.9 42.6 -61.1 -44.0 -24.5 -3.9 -11.2 46 54 B C H X S+ 0 0 20 -4,-2.6 4,-1.7 2,-0.2 3,-0.8 0.945 113.4 48.8 -54.4 -54.9 33.3 32.8 19.8 97 105 B E H 3X S+ 0 0 63 -4,-2.8 4,-0.7 1,-0.2 3,-0.3 0.972 110.7 53.7 -49.9 -49.9 35.6 34.5 17.2 98 106 B R H 3< S+ 0 0 170 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.650 106.1 51.0 -62.8 -24.0 35.1 37.7 19.0 99 107 B L H << S+ 0 0 62 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.899 93.2 68.9 -82.7 -45.1 36.1 36.4 22.4 100 108 B G H < 0 0 68 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.779 360.0 360.0 -42.9 -33.4 39.5 34.7 21.5 101 109 B L < 0 0 186 -4,-0.7 -1,-0.2 -3,-0.0 -2,-0.2 0.992 360.0 360.0 -72.0 360.0 40.8 38.3 20.9 102 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 103 701 C P 0 0 184 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 123.1 -23.1 19.9 -8.9 104 702 C A - 0 0 89 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.387 360.0-115.0 -63.0 122.2 -21.8 16.3 -8.9 105 703 C K - 0 0 32 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.141 27.2-112.8 -56.4 145.3 -18.4 16.1 -10.7 106 704 C K > - 0 0 34 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.456 27.7-110.3 -71.1 156.6 -18.2 14.0 -14.0 107 705 C S H > S+ 0 0 3 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.946 122.4 53.2 -48.6 -54.1 -16.0 10.7 -14.0 108 706 C E H > S+ 0 0 126 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.864 109.1 48.9 -44.8 -45.4 -13.5 12.6 -16.3 109 707 C E H > S+ 0 0 121 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.913 111.0 48.2 -68.3 -46.5 -13.3 15.5 -13.7 110 708 C L H X S+ 0 0 12 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.838 112.1 50.5 -55.0 -41.2 -12.8 13.2 -10.7 111 709 C V H X S+ 0 0 39 -4,-3.4 4,-1.9 -5,-0.2 -2,-0.2 0.923 112.1 46.8 -70.6 -42.2 -10.0 11.3 -12.7 112 710 C A H X S+ 0 0 51 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.887 110.2 51.2 -67.6 -41.0 -8.3 14.5 -13.6 113 711 C E H X S+ 0 0 19 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.963 110.2 51.7 -59.3 -47.9 -8.5 16.1 -10.0 114 712 C A H X S+ 0 0 4 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.904 110.3 47.6 -57.3 -41.7 -6.9 12.8 -8.6 115 713 C H H X S+ 0 0 110 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.928 114.3 48.1 -63.0 -41.7 -4.1 13.0 -11.2 116 714 C N H X S+ 0 0 88 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.910 113.5 45.3 -61.0 -46.2 -3.6 16.7 -10.2 117 715 C L H X S+ 0 0 12 -4,-3.2 4,-3.0 1,-0.2 -2,-0.2 0.912 110.9 54.5 -75.5 -37.2 -3.6 16.1 -6.5 118 716 C C H X S+ 0 0 5 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.878 110.5 44.6 -54.4 -51.0 -1.2 13.0 -6.9 119 717 C T H X S+ 0 0 43 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.899 112.9 52.3 -60.8 -47.6 1.4 15.0 -8.8 120 718 C L H X S+ 0 0 100 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.950 111.8 47.2 -55.4 -47.6 1.1 17.9 -6.3 121 719 C L H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.911 111.7 49.8 -60.4 -46.3 1.6 15.4 -3.4 122 720 C E H X S+ 0 0 54 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.932 115.0 42.6 -55.4 -53.3 4.7 13.7 -5.1 123 721 C N H X S+ 0 0 83 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.838 113.2 52.5 -67.8 -32.5 6.4 17.0 -5.7 124 722 C A H X S+ 0 0 15 -4,-1.9 4,-1.4 -5,-0.3 -2,-0.2 0.908 115.4 43.4 -70.8 -38.7 5.4 18.3 -2.2 125 723 C I H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.927 112.5 48.9 -71.8 -46.7 6.9 15.2 -0.8 126 724 C Q H X S+ 0 0 34 -4,-3.3 4,-2.8 1,-0.2 -2,-0.2 0.881 111.5 50.9 -63.2 -37.5 10.1 15.0 -2.9 127 725 C D H X S+ 0 0 85 -4,-2.0 4,-3.0 -5,-0.2 5,-0.2 0.870 109.7 50.6 -64.3 -39.0 10.9 18.7 -2.2 128 726 C T H X S+ 0 0 8 -4,-1.4 4,-1.7 2,-0.2 5,-0.2 0.954 114.0 44.0 -59.7 -57.6 10.4 18.1 1.6 129 727 C V H X S+ 0 0 43 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.903 118.6 45.1 -48.8 -49.5 12.8 15.1 1.4 130 728 C R H < S+ 0 0 65 -4,-2.8 3,-0.5 -5,-0.2 -2,-0.2 0.952 110.4 50.6 -64.6 -54.1 15.3 17.1 -0.9 131 729 C E H >< S+ 0 0 65 -4,-3.0 3,-2.0 1,-0.2 -2,-0.2 0.919 110.1 48.5 -54.1 -51.2 15.4 20.4 1.0 132 730 C Q H 3< S+ 0 0 34 -4,-1.7 -1,-0.2 1,-0.3 4,-0.2 0.771 98.0 73.1 -61.6 -26.9 16.1 18.9 4.5 133 731 C G T 3< S+ 0 0 58 -4,-0.9 2,-1.0 -3,-0.5 -1,-0.3 0.360 73.3 83.8 -69.4 -2.2 18.9 16.9 2.8 134 732 C N S < S- 0 0 100 -3,-2.0 -1,-0.2 -4,-0.1 2,-0.1 -0.828 88.0-158.6 -92.7 86.9 20.8 20.1 2.6 135 733 C S > - 0 0 13 -2,-1.0 3,-1.6 1,-0.1 4,-0.1 -0.349 36.6-140.1 -79.0 141.3 21.9 19.3 6.1 136 734 C M G > S+ 0 0 5 1,-0.2 3,-1.2 -4,-0.2 -1,-0.1 0.704 103.1 77.2 -66.0 -11.8 23.2 21.7 8.7 137 735 C M G 3 S+ 0 0 89 1,-0.2 -1,-0.2 3,-0.0 4,-0.1 0.591 85.9 60.9 -67.5 -11.0 25.4 18.6 9.4 138 736 C N G < S+ 0 0 119 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.472 83.8 99.5 -99.2 -0.8 27.5 19.7 6.3 139 737 C L S < S- 0 0 81 -3,-1.2 2,-0.7 -4,-0.1 -3,-0.0 -0.255 89.0 -91.0 -76.7 168.3 28.5 23.0 7.6 140 738 C D + 0 0 88 1,-0.1 3,-0.2 2,-0.0 -1,-0.1 -0.787 46.7 168.1 -83.9 114.8 31.9 23.8 9.2 141 739 C W > + 0 0 33 -2,-0.7 3,-1.5 1,-0.1 -1,-0.1 0.190 46.5 104.3-107.9 11.6 31.5 23.2 12.9 142 740 C S G > + 0 0 73 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.618 59.0 77.3 -82.4 -14.5 35.2 23.4 13.6 143 741 C W G 3 S+ 0 0 40 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.616 83.4 73.4 -57.5 -11.9 35.1 26.9 15.1 144 742 C L G < 0 0 15 -3,-1.5 -1,-0.2 -48,-0.0 -2,-0.2 0.573 360.0 360.0 -87.3 -11.7 33.7 24.8 18.0 145 743 C T < 0 0 172 -3,-1.8 -3,-0.1 -4,-0.1 -2,-0.1 0.016 360.0 360.0-149.5 360.0 37.3 23.5 18.7 146 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 147 49 D E 0 0 196 0, 0.0 4,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 127.9 -28.3 3.2 -23.9 148 50 D T > + 0 0 88 2,-0.1 4,-1.9 1,-0.1 5,-0.1 0.311 360.0 94.7-121.1 3.4 -25.8 3.9 -21.1 149 51 D L H > S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.961 87.6 52.3 -62.0 -52.0 -24.1 0.6 -20.1 150 52 D Q H > S+ 0 0 150 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.878 110.5 48.6 -45.5 -46.5 -21.1 1.1 -22.5 151 53 D R H > S+ 0 0 52 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.898 112.2 50.3 -65.5 -39.5 -20.6 4.7 -20.9 152 54 D C H X S+ 0 0 7 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.856 111.4 46.1 -63.1 -40.6 -20.8 3.1 -17.4 153 55 D L H X S+ 0 0 82 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.882 112.8 50.5 -75.6 -39.3 -18.3 0.3 -18.2 154 56 D E H X S+ 0 0 48 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.950 112.8 46.4 -58.3 -49.9 -15.8 2.8 -19.8 155 57 D E H X S+ 0 0 48 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.908 109.4 54.3 -62.4 -42.1 -16.1 5.1 -16.8 156 58 D N H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.859 110.1 48.2 -58.4 -37.4 -15.6 2.2 -14.4 157 59 D Q H X S+ 0 0 90 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.962 111.6 47.5 -68.0 -49.3 -12.5 1.3 -16.3 158 60 D E H X S+ 0 0 105 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.863 113.3 50.2 -61.3 -33.8 -11.1 4.9 -16.2 159 61 D L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.845 108.4 50.6 -72.0 -38.4 -11.8 5.2 -12.5 160 62 D R H X S+ 0 0 44 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.855 110.6 50.3 -68.2 -38.8 -10.1 1.9 -11.6 161 63 D D H X S+ 0 0 59 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.843 108.5 52.4 -65.9 -35.5 -7.1 3.0 -13.5 162 64 D A H X S+ 0 0 10 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.963 114.0 43.3 -61.3 -51.1 -7.2 6.4 -11.6 163 65 D I H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.887 111.7 53.3 -65.1 -40.9 -7.3 4.5 -8.3 164 66 D R H X S+ 0 0 128 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.970 112.0 45.5 -56.2 -56.0 -4.6 2.0 -9.3 165 67 D Q H X S+ 0 0 117 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.865 113.0 47.6 -54.8 -47.3 -2.2 4.8 -10.3 166 68 D S H X S+ 0 0 5 -4,-2.1 4,-3.7 2,-0.2 5,-0.3 0.939 108.5 56.6 -65.0 -41.6 -2.7 6.9 -7.2 167 69 D N H X S+ 0 0 3 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.945 107.7 48.8 -49.0 -53.2 -2.3 3.7 -5.0 168 70 D Q H X S+ 0 0 86 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.921 113.9 45.3 -51.7 -52.9 1.1 3.1 -6.6 169 71 D I H X S+ 0 0 30 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.947 111.3 52.6 -60.3 -49.6 2.2 6.8 -6.0 170 72 D L H X S+ 0 0 1 -4,-3.7 4,-2.4 1,-0.2 5,-0.2 0.917 108.8 52.0 -50.2 -44.2 0.8 6.7 -2.4 171 73 D R H X S+ 0 0 124 -4,-2.8 4,-1.8 -5,-0.3 -2,-0.2 0.946 112.9 42.8 -56.8 -49.7 2.9 3.6 -1.8 172 74 D E H X S+ 0 0 100 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.927 114.6 50.9 -67.8 -41.0 6.2 5.1 -3.1 173 75 D R H X S+ 0 0 32 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.859 107.3 50.9 -68.2 -41.8 5.6 8.4 -1.3 174 76 D C H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 5,-0.3 0.942 106.0 56.4 -60.3 -44.8 4.8 7.0 2.2 175 77 D E H X S+ 0 0 48 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.907 108.6 49.0 -50.2 -41.9 8.0 4.9 2.0 176 78 D E H X S+ 0 0 61 -4,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.873 109.2 51.5 -67.0 -40.6 9.9 8.2 1.4 177 79 D L H X S+ 0 0 1 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.855 105.9 53.7 -60.9 -42.3 8.2 9.9 4.4 178 80 D L H X S+ 0 0 83 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.892 111.7 46.6 -63.9 -38.4 9.0 7.1 6.8 179 81 D H H >X S+ 0 0 136 -4,-1.6 4,-1.8 -5,-0.3 3,-0.9 0.928 107.6 56.2 -68.0 -45.6 12.7 7.5 5.8 180 82 D F H 3X S+ 0 0 9 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.902 99.0 62.1 -49.5 -41.6 12.4 11.2 6.2 181 83 D Q H 3X S+ 0 0 60 -4,-2.0 4,-1.1 1,-0.3 -1,-0.2 0.821 105.5 45.8 -58.1 -35.4 11.2 10.7 9.8 182 84 D A H