==== 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 2VOI . 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 . 174 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 77.0 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 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.4 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 1 1 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 0 A S > 0 0 120 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -65.7 27.6 7.1 -21.0 2 1 A M H > + 0 0 118 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.834 360.0 48.5 -60.7 -42.3 24.0 6.1 -20.1 3 2 A A H > S+ 0 0 50 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.868 110.4 51.2 -67.6 -36.8 25.2 2.5 -20.7 4 3 A E H > S+ 0 0 132 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.971 113.2 43.6 -63.5 -53.4 28.2 3.2 -18.4 5 4 A S H X S+ 0 0 62 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.869 112.1 54.7 -60.2 -37.2 26.0 4.6 -15.6 6 5 A E H X S+ 0 0 24 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.901 108.5 47.9 -63.0 -42.2 23.6 1.7 -16.2 7 6 A L H X S+ 0 0 64 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.880 111.4 50.7 -61.7 -43.1 26.4 -0.8 -15.7 8 7 A M H X S+ 0 0 128 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.860 109.9 49.4 -67.1 -36.7 27.6 0.9 -12.6 9 8 A H H X S+ 0 0 63 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.903 111.8 48.8 -67.4 -43.1 24.0 1.0 -11.0 10 9 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.923 110.2 53.0 -59.1 -44.6 23.6 -2.8 -11.8 11 10 A H H X S+ 0 0 50 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.899 108.4 48.5 -58.5 -43.2 27.0 -3.4 -10.2 12 11 A S H X S+ 0 0 30 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.901 111.5 50.5 -67.1 -40.3 26.0 -1.6 -7.0 13 12 A L H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.941 112.9 46.1 -58.8 -47.8 22.8 -3.6 -6.8 14 13 A A H X S+ 0 0 1 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.885 112.0 51.0 -63.4 -42.0 24.7 -6.8 -7.3 15 14 A E H X S+ 0 0 47 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.939 112.1 46.9 -60.3 -48.3 27.3 -5.8 -4.7 16 15 A H H X S+ 0 0 69 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.866 111.7 49.8 -64.8 -38.7 24.7 -5.0 -2.1 17 16 A Y H X S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.910 113.8 46.1 -64.6 -42.4 22.7 -8.2 -2.7 18 17 A L H X S+ 0 0 2 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.781 110.9 52.0 -71.5 -30.1 25.8 -10.3 -2.4 19 18 A Q H <>S+ 0 0 30 -4,-2.0 5,-2.8 2,-0.2 -1,-0.2 0.880 109.7 50.6 -68.7 -42.8 26.9 -8.4 0.8 20 19 A Y H ><5S+ 0 0 79 -4,-2.0 3,-1.4 3,-0.2 -2,-0.2 0.919 108.5 52.7 -54.8 -46.7 23.5 -9.1 2.2 21 20 A V H 3<5S+ 0 0 12 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.808 112.4 43.5 -62.8 -34.4 24.0 -12.8 1.3 22 21 A L T 3<5S- 0 0 50 -4,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.296 113.3-119.9 -90.9 7.3 27.3 -12.9 3.2 23 22 A Q T < 5 + 0 0 145 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.922 59.5 157.3 52.4 52.8 25.8 -10.9 6.1 24 23 A V < - 0 0 64 -5,-2.8 -1,-0.2 1,-0.1 -2,-0.1 -0.887 44.6 -82.2-117.8 138.4 28.4 -8.1 5.6 25 24 A P - 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 0.154 26.0-177.1 -30.0 130.5 28.2 -4.4 6.7 26 25 A A + 0 0 62 2,-0.0 4,-0.1 -7,-0.0 2,-0.0 0.792 30.6 150.8 -83.9 -69.9 26.5 -1.7 4.7 27 26 A F + 0 0 197 1,-0.2 3,-0.1 2,-0.1 -1,-0.0 0.303 54.1 70.6 64.6 -9.6 27.7 0.9 7.2 28 27 A E S S- 0 0 100 1,-0.4 2,-0.3 -2,-0.0 -1,-0.2 0.850 111.5 -21.3 -94.2 -62.2 27.8 3.8 4.6 29 28 A S S S- 0 0 87 3,-0.0 -1,-0.4 0, 0.0 -2,-0.1 -0.865 72.3 -85.7-140.4 169.5 24.1 4.4 3.9 30 29 A A - 0 0 82 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.558 58.2 -94.2 -72.9 143.8 20.7 2.8 4.2 31 30 A P - 0 0 53 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.315 40.7-117.1 -51.6 141.7 19.7 0.6 1.2 32 31 A S > - 0 0 53 1,-0.1 4,-1.9 -3,-0.1 5,-0.2 -0.252 33.7 -98.4 -67.2 170.4 17.6 2.4 -1.5 33 32 A Q H > S+ 0 0 94 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.912 126.0 51.5 -60.6 -43.5 14.1 1.1 -2.1 34 33 A A H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.866 107.8 53.1 -62.2 -40.2 15.3 -0.9 -5.2 35 34 A C H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.902 111.2 46.3 -55.8 -46.1 18.0 -2.5 -3.0 36 35 A R H X S+ 0 0 136 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.905 113.6 46.7 -68.9 -42.7 15.4 -3.6 -0.4 37 36 A V H X S+ 0 0 10 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.941 113.8 50.4 -63.1 -45.7 13.0 -4.9 -2.9 38 37 A L H X S+ 0 0 2 -4,-2.6 4,-2.9 1,-0.2 5,-0.4 0.893 108.4 50.8 -59.6 -47.3 15.8 -6.8 -4.7 39 38 A Q H X S+ 0 0 31 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.923 113.8 46.5 -56.7 -46.5 17.1 -8.3 -1.4 40 39 A R H X S+ 0 0 122 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.992 120.6 34.7 -58.3 -63.0 13.6 -9.6 -0.7 41 40 A V H X S+ 0 0 6 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.900 119.3 48.6 -65.8 -43.8 12.7 -11.0 -4.1 42 41 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.2 0.846 111.3 51.9 -64.1 -34.1 16.2 -12.3 -5.0 43 42 A F H X S+ 0 0 56 -4,-1.5 4,-3.0 -5,-0.4 -1,-0.2 0.885 103.6 55.8 -71.8 -39.9 16.6 -14.0 -1.6 44 43 A S H X S+ 0 0 52 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.876 111.5 46.4 -53.7 -40.9 13.2 -15.8 -1.9 45 44 A V H X S+ 0 0 2 -4,-1.4 4,-3.0 2,-0.2 5,-0.2 0.934 109.9 51.4 -69.1 -47.2 14.6 -17.3 -5.2 46 45 A Q H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.936 114.2 46.2 -51.6 -49.1 18.0 -18.2 -3.7 47 46 A K H X S+ 0 0 102 -4,-3.0 4,-2.0 2,-0.2 5,-0.2 0.933 112.5 47.8 -57.6 -52.6 16.0 -20.0 -1.0 48 47 A E H X S+ 0 0 47 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.916 115.9 46.4 -58.3 -43.5 13.6 -21.8 -3.3 49 48 A V H X S+ 0 0 1 -4,-3.0 4,-3.0 2,-0.2 -2,-0.2 0.953 112.3 47.0 -63.0 -54.8 16.6 -22.9 -5.5 50 49 A E H < S+ 0 0 48 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.789 118.9 44.3 -62.3 -29.3 18.9 -24.1 -2.7 51 50 A K H >< S+ 0 0 135 -4,-2.0 3,-0.8 -5,-0.2 -2,-0.2 0.956 123.3 31.6 -74.5 -57.8 15.9 -26.0 -1.2 52 51 A N H 3< S+ 0 0 97 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.565 124.1 42.8 -89.8 -10.2 14.4 -27.5 -4.4 53 52 A L T 3X S+ 0 0 11 -4,-3.0 4,-2.7 -5,-0.2 3,-0.3 0.070 75.8 122.1-113.8 23.5 17.6 -28.0 -6.5 54 53 A K H <> S+ 0 0 121 -3,-0.8 4,-2.3 1,-0.2 5,-0.2 0.901 72.8 50.3 -54.5 -46.8 19.7 -29.3 -3.6 55 54 A S H 4 S+ 0 0 72 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.896 113.7 46.3 -59.4 -40.9 20.5 -32.7 -5.3 56 55 A Y H >4 S+ 0 0 83 -3,-0.3 3,-0.9 1,-0.2 -1,-0.2 0.907 112.7 48.9 -69.0 -43.1 21.6 -30.9 -8.4 57 56 A L H >< S+ 0 0 7 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.822 105.5 58.7 -66.2 -33.2 23.7 -28.3 -6.6 58 57 A D T 3< S+ 0 0 84 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.642 90.3 73.4 -69.7 -16.2 25.5 -31.0 -4.5 59 58 A D T < S+ 0 0 109 -3,-0.9 2,-0.3 -4,-0.5 -1,-0.2 0.217 99.3 42.9 -91.2 16.2 26.8 -32.7 -7.6 60 59 A F < - 0 0 29 -3,-1.0 2,-0.3 96,-0.0 0, 0.0 -0.989 67.9-138.5-154.4 162.6 29.4 -30.0 -8.3 61 60 A H - 0 0 129 -2,-0.3 2,-0.6 46,-0.0 3,-0.1 -0.894 6.4-149.3-122.0 146.4 32.1 -27.9 -6.6 62 61 A V + 0 0 0 -2,-0.3 45,-0.2 41,-0.2 6,-0.1 -0.830 28.6 162.6-113.5 87.7 33.0 -24.2 -7.0 63 62 A E + 0 0 134 -2,-0.6 2,-0.3 1,-0.0 -1,-0.1 0.602 61.5 27.0 -82.6 -11.4 36.8 -24.3 -6.1 64 63 A S > - 0 0 44 1,-0.1 4,-2.1 -3,-0.1 5,-0.1 -0.962 68.9-123.5-149.5 154.3 37.6 -20.9 -7.7 65 64 A I H > S+ 0 0 30 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.865 118.0 59.5 -63.6 -39.8 36.2 -17.5 -8.7 66 65 A D H > S+ 0 0 96 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.910 109.6 41.5 -48.6 -49.0 37.4 -18.5 -12.2 67 66 A T H > S+ 0 0 36 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.835 110.2 56.0 -75.8 -36.5 35.1 -21.5 -12.0 68 67 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.952 107.9 49.8 -58.1 -49.7 32.2 -19.6 -10.4 69 68 A R H X S+ 0 0 81 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.857 112.7 48.9 -54.8 -38.0 32.4 -17.2 -13.4 70 69 A I H X S+ 0 0 86 -4,-1.2 4,-1.9 -5,-0.2 -2,-0.2 0.937 113.8 42.3 -69.3 -49.7 32.4 -20.2 -15.8 71 70 A I H X S+ 0 0 19 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.865 115.4 52.0 -66.1 -37.2 29.4 -22.1 -14.2 72 71 A F H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.3 5,-0.2 0.944 110.1 47.2 -63.7 -48.8 27.5 -18.8 -13.9 73 72 A N H X S+ 0 0 67 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.852 115.0 45.4 -66.7 -35.2 28.0 -17.8 -17.5 74 73 A Q H X S+ 0 0 83 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.895 113.8 47.7 -78.6 -37.6 27.0 -21.2 -18.9 75 74 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.937 117.1 45.1 -62.2 -45.1 23.9 -21.6 -16.6 76 75 A M H X S+ 0 0 0 -4,-2.8 4,-1.8 -5,-0.2 -2,-0.2 0.847 109.5 53.5 -66.5 -39.2 22.9 -18.0 -17.6 77 76 A E H < S+ 0 0 143 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.935 113.2 44.5 -62.1 -45.5 23.6 -18.5 -21.3 78 77 A K H >< S+ 0 0 28 -4,-2.0 3,-0.8 1,-0.2 4,-0.2 0.831 110.5 54.8 -67.3 -34.9 21.3 -21.6 -21.3 79 78 A E H 3< S+ 0 0 4 -4,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.879 114.5 39.3 -62.5 -40.5 18.6 -19.8 -19.2 80 79 A F T >< S+ 0 0 21 -4,-1.8 3,-1.4 1,-0.2 -1,-0.2 0.115 81.9 113.7-102.4 19.2 18.3 -16.9 -21.7 81 80 A E T < S+ 0 0 156 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.804 71.9 56.8 -55.7 -43.3 18.6 -19.1 -24.8 82 81 A D T 3 S- 0 0 88 -3,-0.4 -1,-0.3 -4,-0.2 3,-0.1 0.532 112.0-120.3 -69.1 -8.8 15.1 -18.4 -25.9 83 82 A G < + 0 0 56 -3,-1.4 2,-0.5 1,-0.3 -2,-0.1 0.533 63.7 145.2 80.3 8.8 15.9 -14.7 -25.9 84 83 A I - 0 0 82 5,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.681 24.5-177.7 -88.6 125.8 13.1 -13.9 -23.3 85 84 A I + 0 0 42 -2,-0.5 2,-0.3 -3,-0.1 3,-0.0 -0.981 12.7 148.5-121.5 132.6 13.8 -11.2 -20.8 86 85 A N > - 0 0 12 -2,-0.4 4,-1.9 1,-0.1 5,-0.1 -0.953 57.4 -98.2-150.6 172.1 11.5 -10.2 -17.9 87 86 A W H > S+ 0 0 14 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.862 119.6 55.0 -61.4 -38.0 11.9 -8.8 -14.4 88 87 A G H > S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.929 108.9 46.4 -62.1 -48.5 11.4 -12.2 -12.8 89 88 A R H > S+ 0 0 3 79,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.839 108.3 57.4 -58.1 -38.1 14.3 -13.8 -14.8 90 89 A I H >X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 3,-0.7 0.929 103.5 53.3 -62.5 -44.6 16.5 -10.8 -14.0 91 90 A V H 3X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.862 102.8 58.6 -53.4 -39.1 15.9 -11.5 -10.3 92 91 A T H 3X S+ 0 0 0 -4,-1.3 4,-2.6 1,-0.2 -1,-0.2 0.804 98.1 60.6 -65.6 -27.8 17.1 -15.1 -10.9 93 92 A I H X S+ 0 0 1 -4,-3.0 4,-0.6 1,-0.2 3,-0.5 0.921 111.3 46.2 -61.7 -47.2 32.4 -20.7 -3.0 105 104 A K H 3< S+ 0 0 27 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.827 107.6 56.2 -67.8 -35.3 32.7 -19.7 0.7 106 105 A Q H 3< S+ 0 0 131 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.719 112.9 43.2 -69.8 -21.1 31.5 -23.1 2.1 107 106 A E H << S+ 0 0 70 -4,-1.0 2,-0.3 -3,-0.5 -1,-0.2 0.483 108.3 71.5 -98.6 -7.8 34.4 -24.7 0.1 108 107 A Q S < S- 0 0 86 -4,-0.6 3,-0.3 -3,-0.4 -44,-0.0 -0.806 73.1-142.0-105.2 148.5 36.9 -22.0 1.2 109 108 A I S S- 0 0 115 -2,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.941 96.0 -6.3 -69.0 -48.1 38.4 -21.6 4.6 110 109 A A - 0 0 83 -3,-0.1 -1,-0.3 2,-0.0 2,-0.3 -0.885 66.3-162.4-150.2 114.0 38.1 -17.8 4.0 111 110 A L - 0 0 45 -2,-0.3 2,-0.2 -3,-0.3 -6,-0.0 -0.653 29.5-123.8 -80.6 153.2 37.2 -16.1 0.9 112 111 A D >> - 0 0 102 -2,-0.3 3,-3.1 1,-0.0 2,-1.4 -0.647 25.8 -95.6-101.1 157.5 38.2 -12.4 0.8 113 112 A V T 34 S+ 0 0 91 1,-0.3 -1,-0.0 -2,-0.2 0, 0.0 -0.614 123.1 61.5 -67.1 94.9 36.3 -9.2 0.3 114 113 A S T 3> S+ 0 0 29 -2,-1.4 4,-2.8 0, 0.0 -1,-0.3 -0.117 87.1 68.3 157.2 -52.8 37.3 -9.4 -3.3 115 114 A A H <> S+ 0 0 1 -3,-3.1 4,-2.1 2,-0.2 5,-0.2 0.956 106.3 41.7 -56.5 -51.9 35.6 -12.8 -4.0 116 115 A Y H X S+ 0 0 38 -4,-0.7 4,-1.6 1,-0.2 -1,-0.2 0.746 114.6 53.6 -71.8 -25.3 32.2 -11.1 -3.6 117 116 A K H > S+ 0 0 117 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.895 109.9 46.1 -67.3 -46.1 33.6 -8.1 -5.6 118 117 A Q H X S+ 0 0 63 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.838 114.7 48.0 -71.4 -32.6 34.7 -10.3 -8.5 119 118 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.872 108.5 53.3 -70.6 -40.5 31.3 -12.1 -8.5 120 119 A S H X S+ 0 0 0 -4,-1.6 4,-2.9 1,-0.2 -2,-0.2 0.899 108.6 53.0 -62.9 -36.6 29.4 -8.9 -8.4 121 120 A S H X S+ 0 0 43 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.945 111.7 41.6 -62.5 -52.3 31.4 -7.8 -11.5 122 121 A F H X S+ 0 0 4 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.855 115.8 51.4 -69.1 -31.1 30.6 -10.9 -13.6 123 122 A V H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.985 112.3 46.5 -62.6 -52.2 27.0 -10.8 -12.4 124 123 A A H X S+ 0 0 2 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.874 109.4 53.7 -58.0 -45.3 26.8 -7.2 -13.4 125 124 A E H X S+ 0 0 97 -4,-2.7 4,-3.2 2,-0.2 5,-0.3 0.924 110.7 46.6 -55.8 -46.6 28.4 -7.8 -16.8 126 125 A F H X S+ 0 0 16 -4,-1.8 4,-2.5 2,-0.2 5,-0.4 0.938 113.8 46.4 -62.5 -51.7 25.9 -10.5 -17.7 127 126 A I H X>S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.7 0.943 118.1 45.0 -54.5 -49.2 22.8 -8.5 -16.6 128 127 A M H X5S+ 0 0 27 -4,-2.9 4,-1.7 -5,-0.2 5,-0.4 0.958 116.8 41.5 -61.8 -54.5 24.2 -5.5 -18.5 129 128 A N H <5S+ 0 0 130 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.795 127.3 32.6 -67.1 -30.6 25.2 -7.2 -21.7 130 129 A N H <5S+ 0 0 74 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.752 138.0 12.2 -95.9 -30.1 22.1 -9.4 -21.9 131 130 A T H X5S+ 0 0 1 -4,-2.8 4,-2.9 -5,-0.4 -3,-0.2 0.425 91.0 101.8-130.6 -2.5 19.3 -7.2 -20.3 132 131 A G H X S+ 0 0 103 -5,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.935 113.3 52.2 -69.7 -43.9 18.7 -2.3 -23.0 134 133 A W H > S+ 0 0 54 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.916 109.0 50.4 -54.6 -45.9 15.6 -4.2 -22.0 135 134 A I H ><>S+ 0 0 2 -4,-2.9 5,-2.6 1,-0.2 3,-0.6 0.909 108.8 52.5 -59.3 -42.2 15.8 -2.7 -18.5 136 135 A R H ><5S+ 0 0 116 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.908 111.0 46.5 -61.2 -44.1 16.1 0.8 -20.0 137 136 A Q H 3<5S+ 0 0 121 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.626 109.3 56.8 -70.8 -17.7 13.0 0.2 -22.2 138 137 A N T <<5S- 0 0 66 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 -0.014 128.0 -81.7-113.0 32.5 11.0 -1.1 -19.2 139 138 A G T <>> - 0 0 39 -3,-0.8 5,-1.3 5,-0.1 4,-1.3 0.504 61.5-116.0 92.5 6.5 11.2 1.8 -16.8 140 139 A G T 4X - 0 0 17 -5,-2.6 5,-1.8 -6,-0.2 -4,-0.1 -0.053 55.1 -49.4 58.0-162.2 14.6 1.0 -15.2 141 140 A W T 4>S+ 0 0 9 3,-0.2 5,-1.1 1,-0.2 -1,-0.2 0.747 131.5 49.8 -80.7 -28.6 15.1 0.1 -11.5 142 141 A E T 45S+ 0 0 101 -3,-0.3 -1,-0.2 3,-0.2 -2,-0.1 0.800 129.9 14.0 -84.6 -33.6 13.1 2.9 -9.8 143 142 A D T X5S+ 0 0 102 -4,-1.3 4,-2.6 3,-0.1 5,-0.5 0.795 131.8 41.6-102.4 -70.9 9.9 2.6 -11.8 144 143 A G H >< S+ 0 0 151 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.859 111.4 53.6 -69.0 -33.7 6.4 -1.0 -9.3 148 147 A K H 3< S+ 0 0 87 -4,-2.1 -2,-0.2 -5,-0.5 -1,-0.2 0.912 123.3 25.8 -60.6 -45.1 6.6 -4.6 -10.7 149 148 A F T 3< 0 0 25 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.071 360.0 360.0-111.3 23.8 7.5 -6.1 -7.2 150 149 A E < 0 0 166 -3,-0.5 -4,-0.1 -4,-0.3 -3,-0.1 0.086 360.0 360.0 52.0 360.0 5.9 -3.4 -5.0 151 !* 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 0.0 152 78 B S > 0 0 115 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 110.1 26.4 -35.3 -15.8 153 79 B Q H > + 0 0 76 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.878 360.0 52.5 -61.4 -40.5 27.5 -31.6 -15.8 154 80 B E H > S+ 0 0 161 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.980 109.5 48.8 -52.5 -59.2 25.3 -31.0 -18.9 155 81 B E H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.849 113.9 47.9 -52.2 -42.0 22.3 -32.5 -17.1 156 82 B I H X S+ 0 0 12 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.991 115.3 40.4 -62.5 -63.1 23.0 -30.3 -14.0 157 83 B I H X S+ 0 0 31 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.734 116.8 53.1 -66.8 -21.1 23.5 -27.0 -15.7 158 84 B H H X S+ 0 0 118 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.929 111.0 44.3 -69.3 -52.8 20.5 -27.8 -18.0 159 85 B N H X S+ 0 0 62 -4,-2.4 4,-1.5 -5,-0.3 -2,-0.2 0.749 115.5 48.5 -67.4 -27.0 18.1 -28.6 -15.2 160 86 B I H X S+ 0 0 1 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.956 111.0 49.6 -74.3 -55.4 19.3 -25.5 -13.2 161 87 B A H X S+ 0 0 4 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.874 113.9 46.2 -43.6 -49.9 18.9 -23.1 -16.1 162 88 B R H X S+ 0 0 44 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.897 112.2 49.5 -68.4 -42.8 15.4 -24.5 -16.9 163 89 B H H X S+ 0 0 32 -4,-1.5 4,-3.0 2,-0.2 5,-0.2 0.899 112.0 49.8 -60.7 -41.9 14.3 -24.3 -13.2 164 90 B L H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.906 111.7 46.6 -65.4 -44.1 15.6 -20.7 -13.0 165 91 B A H X S+ 0 0 12 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.921 114.8 49.2 -60.5 -44.5 13.7 -19.7 -16.2 166 92 B Q H X S+ 0 0 123 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.922 114.7 42.7 -60.5 -48.0 10.6 -21.4 -14.9 167 93 B I H X S+ 0 0 21 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.877 115.0 50.7 -70.0 -36.9 10.9 -19.7 -11.4 168 94 B G H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 -79,-0.2 0.934 112.0 46.7 -62.0 -46.7 11.7 -16.3 -13.1 169 95 B D H X S+ 0 0 48 -4,-2.7 4,-0.9 2,-0.2 -2,-0.2 0.855 112.8 50.0 -65.3 -38.0 8.7 -16.6 -15.4 170 96 B E H >X S+ 0 0 112 -4,-2.1 4,-0.8 -5,-0.2 3,-0.8 0.939 110.4 50.1 -60.3 -50.9 6.5 -17.6 -12.5 171 97 B M H >< S+ 0 0 34 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.912 107.1 55.5 -50.9 -47.0 7.7 -14.6 -10.5 172 98 B D H 3< S+ 0 0 28 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.729 114.8 37.5 -63.2 -26.3 7.0 -12.3 -13.5 173 99 B H H << S+ 0 0 140 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.395 86.5 130.4-107.0 1.2 3.3 -13.4 -13.6 174 100 B N << 0 0 137 -3,-1.0 -3,-0.1 -4,-0.8 -4,-0.0 -0.123 360.0 360.0 -58.3 152.9 2.7 -13.7 -9.9 175 101 B I 0 0 198 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.473 360.0 360.0-139.6 360.0 -0.5 -12.0 -8.4