==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS 17-FEB-08 2VOG . COMPND 2 MOLECULE: BCL-2-RELATED PROTEIN A1; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR C.SMITS,P.E.CZABOTAR,M.G.HINDS,C.L.DAY . 167 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8657.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 82.0 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 . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.0 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 2 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 2 2 0 1 0 0 0 0 0 0 0 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 -1 A G > 0 0 78 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -99.2 27.5 4.0 37.9 2 0 A S H > + 0 0 88 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.823 360.0 59.4 -59.5 -35.4 25.8 3.5 34.5 3 1 A M H > S+ 0 0 145 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 104.3 45.7 -61.1 -42.9 27.3 7.0 34.1 4 2 A A H > S+ 0 0 34 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.910 114.1 50.0 -65.8 -42.0 30.9 5.8 34.7 5 3 A E H X S+ 0 0 130 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.937 111.3 48.1 -59.6 -48.1 30.2 2.8 32.3 6 4 A S H X S+ 0 0 63 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.919 110.6 53.0 -60.2 -38.3 28.9 5.2 29.7 7 5 A E H X S+ 0 0 23 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.926 109.3 47.3 -63.9 -44.2 32.0 7.4 30.2 8 6 A L H X S+ 0 0 62 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.916 111.8 50.6 -61.8 -43.4 34.4 4.5 29.7 9 7 A M H X S+ 0 0 129 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.892 110.8 49.5 -64.9 -37.9 32.5 3.3 26.5 10 8 A H H X S+ 0 0 80 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.921 111.3 48.1 -64.9 -46.7 32.7 6.9 25.2 11 9 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.888 110.4 53.3 -56.7 -40.8 36.4 7.1 25.9 12 10 A H H X S+ 0 0 49 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.923 107.8 49.7 -63.9 -43.8 36.9 3.7 24.2 13 11 A S H X S+ 0 0 40 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.929 111.4 49.4 -60.8 -46.8 35.1 5.0 21.1 14 12 A L H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.915 114.0 45.5 -54.8 -45.7 37.3 8.1 21.0 15 13 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.907 112.8 50.0 -67.7 -41.9 40.4 5.9 21.4 16 14 A E H X S+ 0 0 47 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.904 112.1 47.6 -62.8 -45.3 39.3 3.4 18.8 17 15 A H H X S+ 0 0 70 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.889 112.2 49.5 -64.8 -40.4 38.5 6.2 16.3 18 16 A Y H X S+ 0 0 1 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.936 113.4 45.8 -62.1 -45.5 41.9 7.9 16.9 19 17 A L H X S+ 0 0 3 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.850 109.5 54.5 -70.6 -34.0 43.8 4.7 16.5 20 18 A Q H <>S+ 0 0 46 -4,-2.4 5,-2.8 2,-0.2 4,-0.3 0.905 108.7 49.9 -59.8 -45.0 41.9 3.8 13.4 21 19 A Y H ><5S+ 0 0 102 -4,-1.9 3,-1.1 3,-0.2 -2,-0.2 0.899 106.5 55.9 -58.0 -44.4 42.9 7.2 12.0 22 20 A V H 3<5S+ 0 0 4 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.890 117.2 34.7 -57.3 -40.0 46.5 6.4 12.9 23 21 A L T 3<5S- 0 0 42 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.269 108.7-118.3-100.7 9.8 46.4 3.3 10.8 24 22 A Q T < 5 + 0 0 163 -3,-1.1 -3,-0.2 -4,-0.3 -4,-0.1 0.883 49.4 174.3 52.6 43.0 44.1 4.5 8.0 25 23 A V < 0 0 48 -5,-2.8 -1,-0.2 1,-0.2 -2,-0.0 -0.651 360.0 360.0 -76.4 133.8 41.5 1.8 8.9 26 24 A P 0 0 166 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.886 360.0 360.0 -73.8 360.0 38.2 2.2 6.9 27 ! 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 28 31 A S > 0 0 104 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 160.2 32.0 14.0 15.3 29 32 A Q H > + 0 0 133 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.885 360.0 50.1 -69.9 -42.4 33.6 17.3 16.2 30 33 A A H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.907 112.4 50.3 -60.4 -40.6 35.5 16.1 19.3 31 34 A C H > S+ 0 0 18 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.940 111.7 48.1 -61.0 -48.6 36.8 13.2 17.2 32 35 A R H X S+ 0 0 51 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.926 117.5 39.3 -58.9 -49.4 37.9 15.6 14.4 33 36 A V H X S+ 0 0 36 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.937 116.2 51.4 -72.4 -42.2 39.7 18.0 16.7 34 37 A L H X S+ 0 0 2 -4,-2.8 4,-2.8 -5,-0.3 5,-0.4 0.907 108.3 52.7 -56.8 -46.0 41.1 15.3 18.9 35 38 A Q H X S+ 0 0 43 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.929 112.0 45.5 -57.4 -42.2 42.5 13.5 15.8 36 39 A R H X S+ 0 0 205 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.913 117.9 40.2 -69.9 -46.7 44.3 16.6 14.6 37 40 A V H X S+ 0 0 18 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.951 116.9 48.6 -74.3 -41.8 45.8 17.6 18.0 38 41 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.3 -2,-0.2 0.910 112.0 50.0 -62.6 -39.4 46.7 14.1 19.1 39 42 A F H X S+ 0 0 48 -4,-2.2 4,-2.8 -5,-0.4 -1,-0.2 0.888 106.1 55.1 -67.3 -37.1 48.3 13.4 15.7 40 43 A S H X S+ 0 0 60 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.884 111.4 46.4 -60.5 -36.0 50.3 16.7 15.9 41 44 A V H X S+ 0 0 8 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.943 110.4 51.8 -69.1 -46.9 51.6 15.4 19.3 42 45 A Q H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.905 110.0 49.3 -57.3 -42.9 52.4 11.9 17.9 43 46 A K H X S+ 0 0 117 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.904 109.7 51.6 -62.9 -42.1 54.3 13.4 15.0 44 47 A E H X S+ 0 0 54 -4,-1.7 4,-2.9 -5,-0.2 5,-0.3 0.928 112.4 46.4 -58.8 -47.0 56.4 15.6 17.4 45 48 A V H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.926 112.2 49.1 -62.6 -46.3 57.2 12.5 19.5 46 49 A E H < S+ 0 0 51 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.820 118.5 40.8 -64.2 -31.3 58.2 10.4 16.5 47 50 A K H >< S+ 0 0 169 -4,-1.8 3,-0.6 -5,-0.2 -2,-0.2 0.934 124.0 33.8 -81.6 -52.1 60.4 13.1 15.1 48 51 A N H 3< S+ 0 0 93 -4,-2.9 3,-0.2 1,-0.2 -3,-0.2 0.723 125.1 37.9 -84.8 -26.1 62.0 14.4 18.4 49 52 A L T 3X S+ 0 0 9 -4,-2.6 4,-2.4 -5,-0.3 3,-0.4 0.002 76.0 128.6-110.8 28.6 62.3 11.2 20.4 50 53 A K H <> S+ 0 0 41 -3,-0.6 4,-1.4 1,-0.2 -1,-0.1 0.850 72.2 48.9 -53.8 -42.3 63.2 8.9 17.5 51 54 A S H 4 S+ 0 0 81 2,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.864 112.1 48.2 -69.6 -35.8 66.3 7.4 19.2 52 55 A Y H >4 S+ 0 0 84 -3,-0.4 3,-1.5 1,-0.2 -2,-0.2 0.905 110.2 50.9 -68.4 -44.5 64.5 6.7 22.4 53 56 A L H >< S+ 0 0 11 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.790 104.5 60.5 -58.9 -31.2 61.6 5.0 20.6 54 57 A D T 3< S+ 0 0 122 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.471 89.6 70.3 -76.9 -4.5 64.3 3.0 18.8 55 58 A D T < S+ 0 0 111 -3,-1.5 2,-0.4 -4,-0.1 -1,-0.2 0.454 94.1 68.3 -85.6 -3.2 65.4 1.5 22.1 56 59 A F < - 0 0 35 -3,-1.1 2,-0.5 -4,-0.1 0, 0.0 -0.948 61.8-162.2-114.9 141.6 62.1 -0.5 22.3 57 60 A H - 0 0 133 -2,-0.4 2,-1.4 46,-0.0 3,-0.1 -0.971 10.1-157.0-118.9 113.3 61.0 -3.4 20.2 58 61 A V + 0 0 0 -2,-0.5 45,-0.3 1,-0.2 -2,-0.0 -0.653 29.6 156.9 -93.4 81.8 57.3 -3.8 20.5 59 62 A E + 0 0 59 -2,-1.4 46,-2.4 45,-0.2 47,-0.7 0.522 60.7 22.3 -89.3 -8.3 57.0 -7.5 19.5 60 63 A S S > S- 0 0 33 44,-0.2 4,-2.2 -3,-0.1 5,-0.1 -0.987 76.8-109.9-153.9 159.3 53.7 -8.2 21.2 61 64 A I H > S+ 0 0 46 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.902 118.1 55.9 -57.5 -40.2 50.6 -6.7 22.6 62 65 A D H > S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 107.1 49.4 -63.0 -42.0 51.7 -7.4 26.1 63 66 A T H > S+ 0 0 25 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.915 109.4 52.5 -60.9 -41.5 55.0 -5.5 25.5 64 67 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.945 111.2 46.7 -57.4 -49.3 52.9 -2.6 24.1 65 68 A R H X S+ 0 0 103 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.876 111.7 50.9 -60.4 -44.8 50.8 -2.5 27.3 66 69 A I H X S+ 0 0 56 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.953 114.2 43.0 -58.9 -51.5 53.8 -2.7 29.6 67 70 A I H X S+ 0 0 9 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.915 113.2 52.3 -65.1 -43.9 55.6 0.2 27.9 68 71 A F H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 5,-0.3 0.950 113.8 43.7 -54.4 -52.2 52.4 2.3 27.6 69 72 A N H X S+ 0 0 38 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.893 113.0 50.2 -64.8 -38.4 51.7 1.8 31.4 70 73 A Q H X S+ 0 0 85 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.913 116.2 42.0 -66.8 -43.5 55.3 2.5 32.5 71 74 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.937 117.2 46.5 -68.0 -46.1 55.6 5.7 30.4 72 75 A M H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.3 -2,-0.2 0.890 109.5 54.7 -65.3 -40.9 52.1 6.9 31.4 73 76 A E H < S+ 0 0 119 -4,-2.7 4,-0.4 -5,-0.3 -1,-0.2 0.933 111.0 45.6 -59.4 -45.0 52.6 6.1 35.0 74 77 A K H >< S+ 0 0 72 -4,-1.8 3,-1.0 2,-0.2 4,-0.3 0.922 112.2 51.3 -63.0 -47.0 55.8 8.2 35.0 75 78 A E H >< S+ 0 0 0 -4,-2.7 3,-0.5 1,-0.2 -2,-0.2 0.935 117.8 38.4 -52.5 -48.4 54.0 11.0 33.1 76 79 A F G >< S+ 0 0 15 -4,-2.8 3,-2.2 1,-0.2 -1,-0.2 0.309 81.5 107.0 -90.8 9.9 51.1 11.1 35.6 77 80 A E G < S+ 0 0 130 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.1 0.760 75.0 59.1 -65.3 -26.4 53.1 10.5 38.8 78 81 A D G < S- 0 0 79 -3,-0.5 -1,-0.3 -4,-0.3 3,-0.1 0.505 108.8-124.5 -77.8 -4.9 52.6 14.2 39.9 79 82 A G < + 0 0 56 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.456 59.1 149.9 75.8 3.7 48.8 13.7 39.8 80 83 A I - 0 0 83 -5,-0.2 2,-0.4 5,-0.0 -1,-0.3 -0.492 22.9-175.1 -73.6 127.0 48.4 16.6 37.4 81 84 A I + 0 0 46 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.986 17.2 137.1-124.0 132.7 45.5 16.3 35.0 82 85 A N > - 0 0 12 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.942 64.8 -93.6-156.0 177.8 44.5 18.6 32.1 83 86 A W H > S+ 0 0 10 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.880 123.8 57.3 -66.7 -35.5 43.4 18.4 28.5 84 87 A G H > S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.948 108.4 47.1 -53.6 -48.8 47.0 18.6 27.3 85 88 A R H > S+ 0 0 17 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.925 111.2 50.8 -59.1 -46.9 47.9 15.6 29.4 86 89 A I H >X S+ 0 0 1 -4,-2.3 4,-1.5 1,-0.2 3,-0.9 0.929 106.9 54.1 -59.7 -45.5 44.8 13.7 28.1 87 90 A V H 3X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.3 -1,-0.2 0.916 103.7 56.6 -56.0 -40.9 45.8 14.4 24.5 88 91 A T H 3X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 -1,-0.3 0.769 100.3 58.8 -65.6 -25.8 49.3 13.0 25.2 89 92 A I H + 0 0 20 -2,-0.4 3,-0.6 -4,-0.1 -4,-0.1 -0.827 19.6 167.3-144.7 98.7 47.5 -9.7 15.0 109 112 A V T 3 S+ 0 0 122 -2,-0.3 3,-0.2 1,-0.2 -1,-0.1 0.566 83.2 57.3 -84.3 -8.1 45.1 -7.9 12.6 110 113 A S T >> + 0 0 39 1,-0.2 4,-1.6 2,-0.1 3,-0.7 0.091 67.9 119.3-107.4 17.6 43.1 -6.7 15.6 111 114 A A H <> + 0 0 0 -3,-0.6 4,-2.8 1,-0.3 5,-0.3 0.874 70.0 56.7 -59.5 -40.9 46.0 -4.9 17.4 112 115 A Y H 3> S+ 0 0 26 -3,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.851 105.5 53.3 -61.5 -33.6 44.3 -1.4 17.3 113 116 A K H <> S+ 0 0 98 -3,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.928 110.9 45.7 -61.7 -46.3 41.3 -2.9 19.2 114 117 A Q H X S+ 0 0 68 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.911 115.4 46.3 -64.1 -43.4 43.6 -4.3 21.9 115 118 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.931 108.0 56.5 -66.0 -42.2 45.6 -1.1 22.2 116 119 A S H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.854 105.2 54.5 -58.4 -35.1 42.3 1.0 22.3 117 120 A S H X S+ 0 0 48 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.933 111.8 39.9 -66.1 -47.1 41.2 -1.1 25.3 118 121 A F H X S+ 0 0 17 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.874 115.6 52.3 -75.6 -26.9 44.2 -0.4 27.5 119 122 A V H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.957 110.8 47.7 -68.3 -47.9 44.4 3.2 26.4 120 123 A A H X S+ 0 0 2 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.890 110.6 52.0 -59.2 -42.7 40.7 3.7 27.3 121 124 A E H X S+ 0 0 106 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.940 110.9 46.8 -60.2 -46.4 41.2 2.0 30.7 122 125 A F H X S+ 0 0 9 -4,-2.2 4,-2.7 2,-0.2 5,-0.4 0.951 113.9 47.7 -59.3 -50.1 44.2 4.3 31.5 123 126 A I H X>S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.7 0.945 116.9 43.3 -56.4 -49.4 42.3 7.4 30.5 124 127 A M H X5S+ 0 0 26 -4,-2.9 4,-1.6 3,-0.2 5,-0.4 0.940 117.1 45.4 -62.1 -47.8 39.2 6.4 32.4 125 128 A N H <5S+ 0 0 129 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.824 125.4 30.1 -69.6 -33.5 41.1 5.3 35.5 126 129 A N H <5S+ 0 0 70 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.756 139.0 12.9 -96.0 -30.9 43.4 8.3 35.7 127 130 A T H X5S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.4 -3,-0.2 0.429 91.1 101.7-130.3 -2.8 41.3 11.1 34.2 128 131 A G H X S+ 0 0 88 -5,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.890 113.7 53.2 -63.4 -44.5 36.4 11.8 37.1 130 133 A W H > S+ 0 0 50 2,-0.2 4,-1.0 1,-0.2 6,-0.2 0.921 106.1 54.4 -56.2 -45.5 38.5 14.9 36.1 131 134 A I H ><>S+ 0 0 3 -4,-2.8 5,-2.3 1,-0.2 3,-0.8 0.932 110.6 44.4 -58.7 -45.4 36.8 14.9 32.6 132 135 A R H ><5S+ 0 0 122 -4,-1.7 3,-0.6 1,-0.2 -1,-0.2 0.853 114.0 50.9 -71.0 -28.1 33.3 15.0 34.1 133 136 A Q H 3<5S+ 0 0 129 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.566 110.2 52.0 -79.9 -10.7 34.4 17.7 36.6 134 137 A N T <<5S- 0 0 66 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 -0.077 128.6 -76.8-125.3 34.4 35.9 19.8 33.8 135 138 A G T <>5 - 0 0 38 -3,-0.6 4,-1.2 5,-0.1 5,-0.4 0.274 63.6-115.9 100.7 -5.9 33.1 20.2 31.2 136 139 A G H >X - 0 0 17 -5,-2.3 5,-1.8 3,-0.2 4,-1.0 -0.147 55.6 -50.5 65.0-169.5 33.3 16.8 29.5 137 140 A W H 4>S+ 0 0 15 3,-0.2 5,-2.2 2,-0.2 -1,-0.2 0.820 137.1 35.8 -70.5 -33.6 34.3 16.5 25.8 138 141 A E H 45S+ 0 0 101 -3,-0.2 5,-0.4 3,-0.2 -2,-0.2 0.933 127.9 31.5 -89.4 -49.4 32.0 19.0 24.3 139 142 A D H <5S+ 0 0 141 -4,-1.2 -3,-0.2 3,-0.1 -2,-0.2 0.465 135.0 27.3 -89.6 -3.2 31.8 21.7 27.0 140 143 A G T X5S+ 0 0 7 -4,-1.0 4,-0.9 -5,-0.4 -3,-0.2 0.660 125.0 32.8-116.2 -69.3 35.4 21.2 28.2 141 144 A F T >4>4 S+ 0 0 43 -5,-0.4 3,-0.7 1,-0.3 -1,-0.3 0.758 87.8 72.9 -61.8 -24.0 35.9 24.8 24.2 144 147 A K G << S+ 0 0 55 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.2 0.719 101.8 43.1 -60.9 -20.0 39.7 24.8 24.6 145 148 A F G <4 0 0 79 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.573 360.0 360.0-102.7 -10.9 39.9 25.6 20.8 146 149 A E << 0 0 185 -3,-0.7 -1,-0.1 -4,-0.5 -3,-0.0 -0.736 360.0 360.0 -96.2 360.0 37.1 28.2 20.6 147 !* 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 0.0 148 129 B R > 0 0 114 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -47.2 66.1 5.9 30.9 149 130 B A H > + 0 0 11 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.888 360.0 52.2 -60.1 -40.4 64.2 6.0 27.5 150 131 B E H > S+ 0 0 48 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.864 109.3 50.7 -66.5 -35.6 60.8 5.8 29.3 151 132 B V H > S+ 0 0 53 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.910 110.5 46.4 -67.4 -45.0 61.8 8.8 31.5 152 133 B Q H X S+ 0 0 75 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.878 114.8 49.0 -68.7 -33.0 62.9 11.0 28.7 153 134 B I H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.974 112.5 46.8 -64.3 -54.8 59.7 10.1 26.8 154 135 B A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.893 112.5 50.7 -51.9 -43.1 57.5 10.8 29.8 155 136 B R H X S+ 0 0 142 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.890 109.9 50.0 -67.2 -38.1 59.2 14.1 30.4 156 137 B K H X S+ 0 0 44 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.916 110.7 49.2 -66.7 -40.8 58.7 15.1 26.8 157 138 B L H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.914 110.7 50.6 -63.9 -43.5 55.0 14.2 27.0 158 139 B Q H X S+ 0 0 45 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.931 112.0 48.3 -53.2 -46.1 54.8 16.3 30.2 159 140 B C H X S+ 0 0 60 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.935 113.3 45.8 -65.3 -45.7 56.5 19.2 28.4 160 141 B I H X S+ 0 0 7 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.898 111.7 52.2 -60.7 -43.6 54.2 18.9 25.4 161 142 B A H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.927 110.6 49.2 -59.8 -42.8 51.1 18.6 27.7 162 143 B D H X S+ 0 0 59 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.892 107.6 54.0 -61.6 -45.2 52.3 21.8 29.5 163 144 B Q H X S+ 0 0 91 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.950 111.9 44.4 -54.6 -50.1 52.8 23.6 26.2 164 145 B F H X S+ 0 0 20 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.927 113.1 51.0 -59.2 -47.2 49.2 22.8 25.2 165 146 B H H X S+ 0 0 64 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.929 111.7 47.1 -59.9 -46.5 47.8 23.7 28.6 166 147 B R H >< S+ 0 0 176 -4,-2.8 3,-0.6 1,-0.2 -1,-0.2 0.918 112.9 49.8 -63.2 -42.1 49.6 27.1 28.6 167 148 B L H 3< S+ 0 0 137 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.912 114.2 43.1 -62.3 -44.7 48.5 27.9 25.0 168 149 B H H 3< 0 0 64 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.425 360.0 360.0 -92.4 2.4 44.8 27.1 25.7 169 150 B T << 0 0 112 -4,-0.8 -2,-0.2 -3,-0.6 -3,-0.2 0.579 360.0 360.0-118.4 360.0 44.6 28.8 29.1