==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS 26-SEP-03 1R2G . COMPND 2 MOLECULE: APOPTOSIS REGULATOR BCL-X; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.W.O'NEILL,M.K.MANION,C.D.GIEDT,K.M.KIM,K.Y.ZHANG, . 143 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7132.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 81.8 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 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.5 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 1 1 1 0 1 0 0 0 0 0 0 0 2 1 0 1 0 0 0 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 M > 0 0 118 0, 0.0 4,-3.2 0, 0.0 5,-0.5 0.000 360.0 360.0 360.0-121.5 35.6 -4.2 75.4 2 2 A S H > + 0 0 69 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.700 360.0 29.8 -16.8 -78.0 36.2 -0.4 75.9 3 3 A Q H > S+ 0 0 121 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.917 124.3 50.1 -58.1 -47.2 37.8 0.3 72.5 4 4 A S H > S+ 0 0 20 -3,-0.2 4,-2.0 1,-0.2 3,-0.4 0.970 114.1 43.0 -55.8 -58.9 35.9 -2.5 70.8 5 5 A N H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.846 109.7 56.0 -58.4 -39.2 32.5 -1.4 72.0 6 6 A R H X S+ 0 0 104 -4,-2.5 4,-2.1 -5,-0.5 -1,-0.2 0.883 109.7 47.9 -62.5 -35.2 33.1 2.3 71.4 7 7 A E H X S+ 0 0 68 -4,-1.7 4,-1.6 -3,-0.4 -2,-0.2 0.887 111.0 51.1 -70.1 -39.3 33.8 1.4 67.8 8 8 A L H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.898 111.8 46.5 -64.8 -43.0 30.7 -0.7 67.7 9 9 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.916 112.0 48.8 -67.2 -45.5 28.5 2.1 69.0 10 10 A V H X S+ 0 0 49 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.818 110.1 53.5 -67.0 -29.6 29.9 4.8 66.7 11 11 A D H X S+ 0 0 28 -4,-1.6 4,-2.6 -5,-0.2 -1,-0.2 0.935 110.0 46.3 -70.0 -44.3 29.4 2.5 63.8 12 12 A F H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.936 115.0 45.2 -64.7 -46.2 25.8 1.9 64.5 13 13 A L H X S+ 0 0 1 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.913 114.0 49.1 -64.7 -41.5 24.9 5.5 65.2 14 14 A S H X S+ 0 0 26 -4,-2.0 4,-2.7 -5,-0.2 5,-0.2 0.948 111.5 51.1 -60.4 -45.5 26.8 6.7 62.1 15 15 A Y H X S+ 0 0 46 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.870 112.9 45.7 -58.7 -39.7 24.9 4.0 60.2 16 16 A K H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.915 112.9 47.2 -72.4 -45.3 21.6 5.2 61.5 17 17 A L H <>S+ 0 0 1 -4,-3.1 5,-3.3 2,-0.2 4,-0.3 0.924 114.0 49.5 -62.2 -43.3 22.2 8.9 61.0 18 18 A S H ><5S+ 0 0 63 -4,-2.7 3,-1.6 -5,-0.3 -2,-0.2 0.954 111.4 48.3 -58.2 -53.4 23.4 8.2 57.4 19 19 A Q H 3<5S+ 0 0 82 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.853 110.4 51.3 -56.0 -40.7 20.4 6.0 56.6 20 20 A K T 3<5S- 0 0 105 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.388 123.2-101.3 -83.3 5.4 17.9 8.6 57.9 21 21 A G T < 5S+ 0 0 67 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.687 81.5 121.5 86.4 18.5 19.4 11.4 55.9 22 22 A Y < - 0 0 64 -5,-3.3 -1,-0.3 -6,-0.2 2,-0.1 -0.603 64.1 -94.8-109.4 172.0 21.4 13.1 58.6 23 23 A S - 0 0 65 -2,-0.2 -1,-0.1 1,-0.1 80,-0.1 -0.448 18.0-164.7 -83.7 158.4 25.1 13.9 59.0 24 24 A W > + 0 0 140 -2,-0.1 3,-1.1 -7,-0.1 -1,-0.1 0.104 56.5 114.0-126.8 17.6 27.6 11.8 60.9 25 25 A S T 3 + 0 0 95 1,-0.2 -1,-0.1 -11,-0.0 -11,-0.0 0.841 55.4 79.3 -57.9 -41.4 30.3 14.4 61.2 26 26 A Q T 3 0 0 90 -3,-0.0 -1,-0.2 82,-0.0 -2,-0.0 0.485 360.0 360.0 -51.1 -4.0 30.1 14.7 64.9 27 27 A F < 0 0 81 -3,-1.1 -3,-0.1 -17,-0.1 85,-0.0 -0.902 360.0 360.0-104.3 360.0 32.2 11.5 65.3 28 ! 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 29 81 A I 0 0 72 0, 0.0 2,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 71.0 35.4 -7.3 69.1 30 82 A P + 0 0 29 0, 0.0 2,-0.1 0, 0.0 -25,-0.0 -0.233 360.0 165.1 -71.8 53.0 34.4 -4.9 66.3 31 83 A M >> - 0 0 99 -2,-2.5 4,-2.2 1,-0.2 3,-0.9 -0.465 51.8-120.0 -66.6 142.9 34.7 -7.5 63.5 32 84 A A H 3> S+ 0 0 81 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.839 117.5 64.5 -53.3 -26.5 33.0 -6.1 60.4 33 85 A A H 3> S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.911 103.1 42.7 -61.7 -46.1 30.9 -9.2 61.0 34 86 A V H <> S+ 0 0 1 -3,-0.9 4,-2.7 -5,-0.2 -2,-0.2 0.944 115.6 49.9 -65.6 -49.4 29.5 -7.9 64.4 35 87 A K H X S+ 0 0 43 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.924 113.7 44.3 -55.6 -50.0 29.0 -4.4 62.9 36 88 A Q H X S+ 0 0 90 -4,-3.1 4,-2.4 -5,-0.2 -1,-0.2 0.937 113.4 51.1 -62.2 -46.0 27.1 -5.7 59.9 37 89 A A H X S+ 0 0 3 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.885 111.7 48.1 -58.3 -40.4 25.1 -8.1 62.0 38 90 A L H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.872 107.9 53.4 -69.5 -39.3 24.1 -5.3 64.4 39 91 A R H X S+ 0 0 67 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.957 113.6 44.7 -60.1 -48.8 23.1 -2.9 61.6 40 92 A E H X S+ 0 0 92 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.927 110.7 52.3 -61.8 -46.4 20.8 -5.6 60.2 41 93 A A H X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.896 109.9 51.1 -57.7 -40.1 19.4 -6.5 63.6 42 94 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.855 110.4 47.0 -67.7 -35.3 18.6 -2.8 64.2 43 95 A D H X S+ 0 0 44 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.935 112.3 50.7 -69.9 -45.4 16.8 -2.4 60.9 44 96 A E H >X S+ 0 0 84 -4,-2.8 4,-1.6 1,-0.2 3,-0.6 0.936 111.0 50.6 -53.7 -48.9 14.9 -5.6 61.6 45 97 A W H 3X S+ 0 0 36 -4,-2.6 4,-0.5 1,-0.3 3,-0.3 0.927 109.0 47.9 -57.0 -52.9 14.0 -4.2 65.0 46 98 A E H 3< S+ 0 0 53 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.681 105.2 63.6 -63.7 -17.8 12.7 -0.9 63.8 47 99 A L H << S+ 0 0 134 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.941 112.8 31.4 -70.7 -48.8 10.7 -2.8 61.2 48 100 A R H < S+ 0 0 119 -4,-1.6 2,-0.7 -3,-0.3 -2,-0.1 0.913 124.1 36.0 -70.7 -96.2 8.6 -4.5 63.8 49 101 A Y < + 0 0 119 -4,-0.5 -1,-0.2 1,-0.2 3,-0.2 -0.474 68.5 171.2 -63.3 106.0 8.2 -2.2 66.8 50 102 A R + 0 0 208 -2,-0.7 -1,-0.2 -3,-0.2 -4,-0.1 0.267 45.3 102.6-103.5 10.5 8.0 1.2 65.1 51 103 A R S S- 0 0 113 1,-0.1 -1,-0.1 2,-0.0 -5,-0.0 0.945 75.6-140.1 -55.6 -53.1 7.0 3.3 68.1 52 104 A A - 0 0 52 -3,-0.2 5,-0.2 1,-0.1 -2,-0.1 0.775 52.2 -76.1 91.5 37.4 10.6 4.7 68.5 53 105 A F S > S+ 0 0 13 1,-0.1 4,-2.3 3,-0.1 5,-0.4 0.855 72.7 170.8 42.4 44.1 10.6 4.6 72.3 54 106 A S T 4 S+ 0 0 69 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.839 74.0 40.3 -50.4 -40.6 8.4 7.7 72.3 55 107 A D T > S+ 0 0 67 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.837 113.2 53.0 -81.7 -34.3 7.8 7.5 76.1 56 108 A L H >> S+ 0 0 15 2,-0.2 4,-2.0 1,-0.2 3,-0.9 0.992 112.1 43.6 -62.9 -59.2 11.4 6.5 77.1 57 109 A T H 3X S+ 0 0 10 -4,-2.3 4,-4.2 1,-0.3 5,-0.4 0.734 113.0 55.6 -57.2 -23.0 13.0 9.4 75.2 58 110 A S H 34 S+ 0 0 76 -4,-0.5 -1,-0.3 -5,-0.4 -2,-0.2 0.828 105.0 49.9 -78.5 -34.6 10.2 11.6 76.7 59 111 A Q H << S+ 0 0 115 -4,-1.9 -2,-0.2 -3,-0.9 -1,-0.2 0.824 119.7 41.3 -69.0 -30.8 11.1 10.4 80.2 60 112 A L H < S- 0 0 13 -4,-2.0 -2,-0.2 -5,-0.2 3,-0.2 0.945 78.1-175.7 -81.5 -55.4 14.6 11.4 79.2 61 113 A H < - 0 0 119 -4,-4.2 2,-0.2 1,-0.2 -3,-0.1 0.979 31.4-134.4 52.8 64.0 14.0 14.7 77.2 62 114 A I + 0 0 0 -5,-0.4 -1,-0.2 2,-0.1 48,-0.1 -0.285 37.8 161.9 -57.5 117.8 17.7 15.0 76.2 63 115 A T > - 0 0 47 -3,-0.2 3,-2.0 -2,-0.2 39,-0.0 -0.865 55.6 -97.5-129.5 166.1 19.2 18.4 76.7 64 116 A P T 3 S+ 0 0 67 0, 0.0 -2,-0.1 0, 0.0 43,-0.0 0.669 123.1 56.8 -59.0 -15.4 22.8 19.6 76.9 65 117 A G T 3 S+ 0 0 67 2,-0.1 -3,-0.1 0, 0.0 2,-0.0 0.573 77.4 119.9 -93.6 -9.2 22.5 19.5 80.6 66 118 A T < - 0 0 21 -3,-2.0 2,-0.3 1,-0.1 -4,-0.0 -0.304 54.9-141.0 -59.8 134.5 21.4 15.9 81.0 67 119 A A >> - 0 0 41 1,-0.1 3,-2.2 -2,-0.0 4,-1.3 -0.710 21.4-112.3-100.2 150.6 23.8 13.7 83.1 68 120 A Y H 3> S+ 0 0 34 -2,-0.3 4,-2.8 1,-0.3 5,-0.2 0.817 113.3 66.0 -45.5 -39.6 24.8 10.1 82.4 69 121 A Q H 3> S+ 0 0 107 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.801 100.2 49.5 -56.7 -32.4 22.9 9.0 85.5 70 122 A S H <> S+ 0 0 54 -3,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.895 109.7 50.7 -75.2 -39.6 19.6 10.0 83.9 71 123 A F H X S+ 0 0 0 -4,-1.3 4,-2.6 1,-0.2 5,-0.2 0.937 110.9 50.6 -59.9 -46.5 20.4 8.1 80.7 72 124 A E H X S+ 0 0 49 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.871 107.3 52.2 -61.0 -41.7 21.2 5.1 82.9 73 125 A Q H X S+ 0 0 138 -4,-1.7 4,-0.5 2,-0.2 -1,-0.2 0.914 113.0 44.4 -62.9 -43.9 18.0 5.2 84.8 74 126 A V H >< S+ 0 0 12 -4,-2.0 3,-1.2 1,-0.2 4,-0.5 0.926 113.5 48.8 -68.1 -45.4 15.9 5.3 81.7 75 127 A V H >X S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.3 4,-0.8 0.876 98.0 68.7 -63.6 -36.0 17.8 2.6 79.8 76 128 A N H >< S+ 0 0 59 -4,-2.1 3,-0.8 1,-0.3 -1,-0.3 0.799 87.9 70.1 -52.6 -26.7 17.6 0.3 82.9 77 129 A E G X< S+ 0 0 71 -3,-1.2 3,-1.6 -4,-0.5 -1,-0.3 0.890 91.3 56.7 -56.1 -42.4 13.9 0.2 82.0 78 130 A L G <4 S+ 0 0 35 -3,-1.8 3,-0.3 -4,-0.5 -1,-0.3 0.793 110.7 45.5 -60.1 -27.7 14.8 -1.9 78.9 79 131 A F G X< + 0 0 20 -3,-0.8 3,-2.4 -4,-0.8 -1,-0.3 0.036 69.1 127.0-108.3 27.1 16.5 -4.4 81.2 80 132 A R T < S+ 0 0 171 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.882 85.3 36.8 -48.0 -46.6 13.9 -4.7 84.0 81 133 A D T 3 S- 0 0 141 1,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 -0.019 127.1 -94.3 -98.7 29.6 13.8 -8.5 83.6 82 134 A G < - 0 0 32 -3,-2.4 -1,-0.4 2,-0.0 2,-0.2 -0.260 57.3 -44.2 90.5-178.9 17.5 -8.8 82.9 83 135 A V + 0 0 32 -3,-0.1 2,-0.3 42,-0.1 3,-0.1 -0.548 51.7 154.1 -93.7 153.0 19.6 -8.9 79.7 84 136 A N > - 0 0 53 -2,-0.2 4,-1.7 1,-0.1 3,-0.4 -0.947 54.6 -96.8-164.0 162.4 19.1 -10.8 76.4 85 137 A W H > S+ 0 0 29 -2,-0.3 4,-2.0 1,-0.2 3,-0.2 0.901 120.0 55.5 -52.6 -47.0 20.1 -10.4 72.7 86 138 A G H > S+ 0 0 29 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.868 109.2 46.4 -56.1 -40.5 16.8 -8.8 71.8 87 139 A R H > S+ 0 0 73 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.803 106.3 58.1 -75.2 -27.8 17.1 -6.1 74.4 88 140 A I H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.925 108.3 47.6 -65.7 -40.7 20.7 -5.3 73.5 89 141 A V H X S+ 0 0 2 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.933 109.9 50.8 -64.2 -45.4 19.4 -4.6 70.0 90 142 A A H X S+ 0 0 5 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.891 107.9 57.1 -57.1 -39.2 16.6 -2.4 71.3 91 143 A F H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.916 109.3 41.4 -57.3 -50.2 19.3 -0.7 73.3 92 144 A F H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.949 115.2 52.6 -63.8 -45.6 21.4 0.3 70.3 93 145 A S H X S+ 0 0 4 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.868 107.7 51.8 -56.8 -39.1 18.2 1.1 68.5 94 146 A F H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.937 107.4 50.9 -65.9 -47.1 17.2 3.4 71.4 95 147 A G H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.907 108.3 55.1 -57.3 -39.2 20.5 5.3 71.3 96 148 A G H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.900 105.2 50.2 -60.3 -43.1 19.9 5.8 67.6 97 149 A A H X S+ 0 0 27 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.881 108.3 54.8 -64.8 -36.3 16.6 7.4 68.1 98 150 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.911 106.7 50.1 -62.1 -44.7 18.1 9.7 70.7 99 151 A C H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.938 110.9 48.9 -59.6 -46.9 20.8 10.9 68.2 100 152 A V H X S+ 0 0 24 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.936 112.2 48.4 -58.7 -48.1 18.1 11.6 65.6 101 153 A E H X S+ 0 0 49 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.878 108.6 54.8 -60.1 -38.4 16.0 13.5 68.1 102 154 A S H ><>S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.2 3,-0.6 0.936 108.5 48.6 -60.5 -45.5 19.1 15.5 69.2 103 155 A V H ><5S+ 0 0 13 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.865 107.8 53.7 -63.8 -37.4 19.7 16.5 65.6 104 156 A D H 3<5S+ 0 0 102 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.720 107.0 53.0 -71.3 -19.0 16.1 17.6 65.1 105 157 A K T <<5S- 0 0 66 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.205 120.5-112.0 -97.3 15.9 16.5 19.8 68.2 106 158 A E T < 5S+ 0 0 153 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.947 82.8 124.8 52.7 52.2 19.5 21.4 66.6 107 159 A M > < + 0 0 40 -5,-1.9 3,-2.1 1,-0.1 4,-0.4 -0.329 16.4 151.6-135.4 48.7 21.8 19.8 69.3 108 160 A Q T >> + 0 0 63 1,-0.3 3,-1.2 -5,-0.2 4,-0.5 0.803 64.8 74.5 -49.3 -34.5 24.2 18.0 67.0 109 161 A V H >> S+ 0 0 79 1,-0.2 3,-0.6 2,-0.1 4,-0.6 0.819 88.2 60.5 -51.9 -34.4 26.7 18.4 69.9 110 162 A L H X> S+ 0 0 1 -3,-2.1 4,-3.2 1,-0.2 3,-0.5 0.767 82.4 76.2 -69.6 -27.8 25.0 15.7 71.9 111 163 A V H <> S+ 0 0 2 -3,-1.2 4,-1.5 -4,-0.4 -1,-0.2 0.850 97.1 48.8 -56.8 -33.4 25.4 12.7 69.5 112 164 A S H S+ 0 0 2 -4,-3.0 4,-2.9 -5,-0.2 5,-0.9 0.904 112.6 52.0 -58.1 -43.8 26.6 1.6 79.8 122 174 A L H X>S+ 0 0 0 -4,-2.9 5,-2.8 -5,-0.2 4,-1.4 0.970 112.7 42.9 -55.7 -59.3 27.6 -1.3 77.4 123 175 A N H <5S+ 0 0 25 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.830 121.3 44.2 -57.2 -35.5 31.0 -2.0 79.2 124 176 A D H <5S+ 0 0 96 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.972 130.4 8.5 -76.2 -60.5 29.3 -1.6 82.5 125 177 A H H <5S+ 0 0 71 -4,-2.9 4,-0.4 -5,-0.2 -3,-0.2 0.690 129.8 40.3-100.9 -24.1 26.0 -3.5 82.5 126 178 A L T >X S+ 0 0 77 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.909 112.2 36.5 -46.3 -48.1 29.1 -9.0 81.8 129 181 A W H <> S+ 0 0 63 -3,-0.7 4,-1.1 -4,-0.4 -2,-0.2 0.880 115.0 54.9 -73.5 -39.4 26.1 -10.9 80.3 130 182 A I H ><>S+ 0 0 0 -4,-2.4 5,-3.3 1,-0.2 3,-0.6 0.909 109.8 46.7 -60.9 -43.4 27.4 -10.9 76.8 131 183 A Q H ><5S+ 0 0 102 -4,-3.3 3,-0.9 1,-0.2 -1,-0.2 0.867 110.7 53.7 -67.5 -34.7 30.7 -12.5 77.9 132 184 A E H 3<5S+ 0 0 159 -4,-1.3 -1,-0.2 -5,-0.4 -2,-0.2 0.654 111.8 44.7 -74.4 -16.8 28.8 -15.1 79.9 133 185 A N T <<5S- 0 0 68 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.183 134.9 -66.1-115.8 20.0 26.6 -16.1 76.9 134 186 A G T X 5 - 0 0 38 -3,-0.9 3,-0.5 -4,-0.1 4,-0.4 0.246 66.3-111.8 122.6 -15.7 29.2 -16.4 74.1 135 187 A G T >>< - 0 0 3 -5,-3.3 3,-1.2 1,-0.2 4,-1.0 -0.204 65.8 -44.2 77.6-179.2 30.5 -13.0 73.4 136 188 A W H 3> S+ 0 0 1 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.669 131.9 72.6 -61.1 -16.2 29.8 -11.1 70.2 137 189 A D H <> S+ 0 0 94 -3,-0.5 4,-2.7 2,-0.2 -1,-0.3 0.915 96.2 48.7 -65.2 -41.9 30.4 -14.4 68.3 138 190 A T H <> S+ 0 0 33 -3,-1.2 4,-1.6 -4,-0.4 -1,-0.2 0.860 109.2 54.6 -66.3 -32.0 27.2 -15.8 69.5 139 191 A F H >X S+ 0 0 0 -4,-1.0 4,-2.8 2,-0.2 3,-0.6 0.977 109.5 46.1 -63.0 -52.5 25.5 -12.6 68.5 140 192 A V H 3< S+ 0 0 38 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.915 111.8 51.0 -53.9 -46.8 26.9 -13.0 65.0 141 193 A E H 3< S+ 0 0 154 -4,-2.7 3,-0.3 1,-0.2 -1,-0.3 0.796 115.5 44.3 -61.7 -29.3 25.9 -16.7 64.9 142 194 A L H << S+ 0 0 98 -4,-1.6 2,-0.5 -3,-0.6 -2,-0.2 0.784 118.8 39.1 -87.4 -33.5 22.4 -15.6 65.9 143 195 A Y < 0 0 60 -4,-2.8 -1,-0.2 -5,-0.1 -102,-0.2 -0.684 360.0 360.0-119.7 76.9 21.9 -12.6 63.6 144 196 A G 0 0 81 -2,-0.5 -103,-0.1 -3,-0.3 -104,-0.1 0.259 360.0 360.0 -39.5 360.0 23.5 -13.7 60.3