==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 24-AUG-02 1H3A . COMPND 2 MOLECULE: SQUALENE--HOPENE CYCLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALICYCLOBACILLUS ACIDOCALDARIUS; . AUTHOR A.LENHART,D.J.REINERT,W.A.WEIHOFEN,J.D.AEBI,H.DEHMLOW, . 1857 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 67163.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1259 67.8 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 . 62 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 27 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 58 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 282 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 741 39.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.3 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 3 3 1 12 3 14 21 3 6 0 0 0 0 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 . 13 3 6 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 . 9 2 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 10 A A 0 0 117 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -74.6 59.4 44.4 38.7 2 11 A Y > + 0 0 53 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.612 360.0 82.2 -82.1 -13.6 59.3 47.5 40.9 3 12 A A H > S+ 0 0 37 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.942 89.0 50.7 -55.2 -52.2 55.6 47.7 40.6 4 13 A R H > S+ 0 0 85 -3,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.851 107.5 56.0 -55.0 -36.2 55.0 45.1 43.3 5 14 A T H > S+ 0 0 3 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.932 110.4 43.4 -62.8 -47.1 57.3 47.0 45.5 6 15 A L H X S+ 0 0 6 -4,-2.1 4,-3.4 2,-0.2 5,-0.2 0.967 110.6 53.0 -63.1 -55.4 55.3 50.2 45.2 7 16 A D H X S+ 0 0 104 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.833 114.8 44.2 -49.9 -36.1 51.9 48.6 45.6 8 17 A R H X S+ 0 0 28 -4,-1.7 4,-0.9 -5,-0.3 -1,-0.2 0.882 114.2 47.9 -76.9 -40.2 53.2 47.0 48.8 9 18 A A H X S+ 0 0 2 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.834 112.6 51.4 -68.7 -32.9 54.8 50.2 50.0 10 19 A V H X S+ 0 0 21 -4,-3.4 4,-2.1 2,-0.2 5,-0.2 0.971 107.6 48.1 -68.3 -56.5 51.6 52.2 49.2 11 20 A E H X S+ 0 0 97 -4,-1.8 4,-0.5 -5,-0.2 -1,-0.2 0.735 111.2 56.8 -57.7 -21.8 49.2 49.9 51.1 12 21 A Y H >X S+ 0 0 43 -4,-0.9 4,-1.5 2,-0.2 3,-1.2 0.957 104.8 46.1 -75.0 -53.9 51.7 50.1 54.0 13 22 A L H 3X S+ 0 0 1 -4,-1.9 4,-0.9 1,-0.3 3,-0.2 0.877 110.4 56.3 -56.3 -38.2 51.8 53.9 54.4 14 23 A L H 3< S+ 0 0 25 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.738 106.3 50.6 -66.7 -22.9 48.0 53.9 54.2 15 24 A S H << S+ 0 0 83 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.761 105.8 54.2 -85.6 -27.0 47.8 51.5 57.1 16 25 A C H < S+ 0 0 37 -4,-1.5 8,-0.3 -3,-0.2 -2,-0.2 0.656 85.9 107.5 -79.3 -16.5 50.1 53.6 59.3 17 26 A Q S < S- 0 0 11 -4,-0.9 6,-0.2 -5,-0.2 -3,-0.0 -0.406 70.4-127.6 -65.3 134.7 47.8 56.6 58.8 18 27 A K > - 0 0 79 4,-2.7 3,-0.9 -2,-0.1 -1,-0.1 -0.191 25.1-100.4 -76.5 173.0 45.7 57.5 61.8 19 28 A D T 3 S+ 0 0 145 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.925 120.2 61.5 -60.3 -48.2 42.0 58.0 61.9 20 29 A E T 3 S- 0 0 101 1,-0.1 -1,-0.3 2,-0.1 310,-0.1 0.727 121.6-108.2 -52.6 -21.5 42.1 61.8 61.8 21 30 A G S < S+ 0 0 1 -3,-0.9 2,-0.3 1,-0.3 -2,-0.1 0.700 80.2 111.8 99.4 23.9 43.9 61.2 58.4 22 31 A Y - 0 0 27 308,-0.1 -4,-2.7 -6,-0.1 2,-0.4 -0.808 58.7-127.1-125.3 167.0 47.4 62.2 59.3 23 32 A W + 0 0 1 278,-0.5 282,-0.8 -2,-0.3 2,-0.2 -0.915 26.0 169.8-115.3 140.9 50.8 60.5 59.7 24 33 A W - 0 0 54 -2,-0.4 278,-0.0 -8,-0.3 -2,-0.0 -0.715 5.6-178.2-156.0 98.9 53.0 60.7 62.8 25 34 A G - 0 0 2 275,-0.3 275,-0.5 -2,-0.2 279,-0.1 -0.753 38.2 -93.0 -99.6 146.0 56.1 58.6 63.4 26 35 A P - 0 0 52 0, 0.0 575,-1.5 0, 0.0 2,-0.6 -0.066 33.0-132.3 -52.3 153.0 58.2 58.7 66.5 27 36 A L E -A 600 0A 1 271,-0.3 270,-0.4 573,-0.2 2,-0.2 -0.950 20.3-154.5-114.9 115.6 61.3 61.0 66.6 28 37 A L E +A 599 0A 40 571,-1.9 571,-1.8 -2,-0.6 2,-0.1 -0.611 30.7 137.4 -92.2 150.1 64.5 59.4 67.9 29 38 A S - 0 0 2 -2,-0.2 2,-0.3 569,-0.2 -1,-0.1 -0.067 53.7 -56.2-146.9-108.5 67.5 61.2 69.4 30 39 A N > - 0 0 6 -2,-0.1 3,-1.3 42,-0.1 4,-0.4 -0.910 46.6 -94.1-146.5 172.8 69.5 60.2 72.5 31 40 A V T 3> S+ 0 0 4 -2,-0.3 4,-3.1 39,-0.3 5,-0.2 0.557 102.5 87.2 -69.2 -9.2 69.1 59.4 76.2 32 41 A T H 3> S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.823 85.2 59.3 -60.3 -28.3 69.8 62.9 77.3 33 42 A M H <> S+ 0 0 9 -3,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.984 112.5 34.4 -61.9 -59.8 66.1 63.5 76.9 34 43 A E H > S+ 0 0 0 -4,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.886 116.6 57.0 -63.2 -41.0 65.0 60.8 79.4 35 44 A A H X S+ 0 0 0 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.936 110.9 42.0 -56.3 -50.0 68.0 61.5 81.6 36 45 A E H X S+ 0 0 5 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.825 109.9 59.2 -67.5 -32.1 67.1 65.2 82.0 37 46 A Y H X S+ 0 0 8 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.908 102.5 53.0 -62.8 -42.2 63.4 64.2 82.4 38 47 A V H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.928 111.6 45.2 -58.3 -46.6 64.3 62.1 85.4 39 48 A L H X S+ 0 0 4 -4,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.858 107.8 59.2 -65.6 -35.8 66.1 65.1 87.0 40 49 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.922 104.4 49.4 -58.7 -46.0 63.1 67.3 86.0 41 50 A C H <>S+ 0 0 2 -4,-2.2 5,-3.1 1,-0.2 -1,-0.2 0.886 110.3 51.4 -60.8 -39.5 60.8 65.1 88.1 42 51 A H H ><5S+ 0 0 29 -4,-1.5 3,-1.1 3,-0.2 -2,-0.2 0.936 110.7 48.0 -62.0 -47.1 63.2 65.3 91.0 43 52 A I H 3<5S+ 0 0 3 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.916 117.0 41.7 -59.3 -45.8 63.3 69.1 90.7 44 53 A L T 3<5S- 0 0 8 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.360 110.1-125.9 -84.3 5.2 59.5 69.3 90.6 45 54 A D T < 5S+ 0 0 133 -3,-1.1 -3,-0.2 -4,-0.2 2,-0.2 0.878 73.7 123.1 51.0 43.4 59.3 66.7 93.3 46 55 A R < + 0 0 90 -5,-3.1 2,-0.4 -6,-0.1 -1,-0.1 -0.573 31.2 161.1-133.3 70.2 57.0 64.5 91.1 47 56 A V - 0 0 51 -2,-0.2 2,-0.6 -6,-0.1 -9,-0.0 -0.758 22.9-160.3 -96.4 137.6 58.7 61.1 90.7 48 57 A D >> - 0 0 84 -2,-0.4 4,-2.9 1,-0.2 3,-0.6 -0.925 7.3-158.6-120.5 105.8 56.8 58.0 89.7 49 58 A R H 3> S+ 0 0 138 -2,-0.6 4,-2.1 1,-0.3 5,-0.2 0.883 95.1 54.0 -46.1 -48.6 58.5 54.7 90.5 50 59 A D H 3> S+ 0 0 78 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.896 112.8 43.7 -55.7 -42.6 56.5 52.9 87.8 51 60 A R H <> S+ 0 0 28 -3,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.910 107.1 59.3 -69.9 -43.6 57.7 55.4 85.2 52 61 A M H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 3,-0.2 0.900 102.8 54.1 -51.4 -45.3 61.3 55.4 86.5 53 62 A E H X S+ 0 0 63 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.934 106.4 50.3 -55.5 -50.1 61.5 51.6 85.8 54 63 A K H X S+ 0 0 32 -4,-1.3 239,-1.5 1,-0.2 4,-1.4 0.823 112.6 48.7 -58.7 -31.4 60.4 52.1 82.2 55 64 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 237,-0.2 -1,-0.2 0.819 108.5 53.2 -77.9 -32.5 63.1 54.8 81.9 56 65 A R H X S+ 0 0 52 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.946 107.2 50.1 -67.6 -48.6 65.7 52.5 83.5 57 66 A R H X S+ 0 0 23 -4,-2.6 4,-2.6 234,-0.2 -1,-0.2 0.929 112.8 49.4 -54.1 -47.0 65.0 49.7 81.0 58 67 A Y H X S+ 0 0 9 -4,-1.4 4,-2.6 -5,-0.2 5,-0.2 0.958 109.6 49.2 -56.8 -57.5 65.4 52.2 78.2 59 68 A L H X S+ 0 0 0 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.931 115.0 43.7 -49.4 -55.5 68.7 53.7 79.4 60 69 A L H >< S+ 0 0 38 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.912 111.1 56.0 -58.1 -44.6 70.3 50.3 79.8 61 70 A H H 3< S+ 0 0 90 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.914 107.1 48.5 -54.2 -47.5 68.9 49.1 76.5 62 71 A E H 3< S+ 0 0 74 -4,-2.6 2,-0.3 -5,-0.1 8,-0.3 0.534 91.1 103.8 -72.7 -6.5 70.5 52.0 74.7 63 72 A Q << - 0 0 28 -3,-1.4 6,-0.2 -4,-0.5 2,-0.1 -0.624 64.6-143.6 -79.9 133.6 73.8 51.3 76.4 64 73 A R > - 0 0 64 4,-1.9 3,-1.6 -2,-0.3 -1,-0.1 -0.212 32.3 -83.4 -88.4-178.4 76.4 49.6 74.2 65 74 A E T 3 S+ 0 0 110 1,-0.3 38,-0.1 2,-0.2 -2,-0.0 0.943 129.1 50.5 -47.2 -62.5 79.1 47.0 75.0 66 75 A D T 3 S- 0 0 48 1,-0.1 -1,-0.3 37,-0.0 41,-0.2 0.602 120.5-112.4 -55.8 -11.2 81.7 49.4 76.3 67 76 A G S < S+ 0 0 0 -3,-1.6 2,-0.2 1,-0.2 -2,-0.2 0.863 76.5 114.8 80.7 37.9 78.9 50.8 78.5 68 77 A T - 0 0 2 -6,-0.1 -4,-1.9 39,-0.1 2,-0.4 -0.652 57.2-125.0-126.9-175.9 78.5 54.2 76.8 69 78 A W - 0 0 4 9,-0.4 9,-2.2 -2,-0.2 13,-0.3 -0.999 18.5-160.1-138.5 132.4 75.9 56.2 74.9 70 79 A A - 0 0 17 -2,-0.4 -39,-0.3 -8,-0.3 4,-0.0 -0.683 30.2-119.1-109.6 164.2 76.3 57.9 71.5 71 80 A L S S+ 0 0 18 5,-0.5 526,-0.2 -2,-0.2 -1,-0.1 0.838 101.6 17.8 -67.7 -33.4 74.3 60.6 69.8 72 81 A Y S > S- 0 0 15 4,-0.2 3,-1.7 524,-0.1 -1,-0.1 -0.946 99.3 -82.4-137.4 156.9 73.4 58.2 67.0 73 82 A P T 3 S+ 0 0 46 0, 0.0 514,-0.2 0, 0.0 -2,-0.0 -0.358 116.5 13.6 -61.5 132.0 73.4 54.4 66.5 74 83 A G T 3 S+ 0 0 54 1,-0.3 512,-0.0 -2,-0.1 453,-0.0 0.679 103.8 129.2 76.2 16.8 76.9 53.0 65.7 75 84 A G < - 0 0 5 -3,-1.7 -1,-0.3 1,-0.1 3,-0.1 -0.554 66.4 -80.8-101.1 168.4 78.4 56.4 66.6 76 85 A P - 0 0 65 0, 0.0 -5,-0.5 0, 0.0 2,-0.3 -0.266 58.8 -86.0 -65.5 152.0 81.3 57.2 69.0 77 86 A P - 0 0 53 0, 0.0 2,-0.5 0, 0.0 -7,-0.2 -0.418 42.9-144.5 -63.3 121.5 80.8 57.3 72.8 78 87 A D > - 0 0 27 -9,-2.2 4,-1.8 -2,-0.3 -9,-0.4 -0.775 4.7-154.0 -92.1 127.2 79.5 60.7 73.8 79 88 A L H > S+ 0 0 18 -2,-0.5 4,-3.2 2,-0.2 3,-0.2 0.982 93.0 45.5 -60.8 -61.7 80.7 62.0 77.2 80 89 A D H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 5,-0.4 0.936 113.4 49.3 -46.7 -60.2 77.8 64.4 77.9 81 90 A T H > S+ 0 0 2 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.863 115.2 45.9 -49.5 -41.6 75.2 61.8 76.9 82 91 A T H X S+ 0 0 0 -4,-1.8 4,-2.6 -13,-0.3 -1,-0.2 0.911 110.2 52.3 -70.8 -44.4 76.9 59.2 79.1 83 92 A I H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 5,-0.2 0.958 112.8 43.7 -56.9 -54.8 77.3 61.5 82.1 84 93 A E H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.877 114.6 50.6 -59.0 -39.2 73.7 62.5 82.2 85 94 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.4 -1,-0.2 0.863 109.9 51.5 -66.9 -35.8 72.6 58.9 81.6 86 95 A Y H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.946 110.5 46.5 -65.4 -50.4 74.9 57.8 84.5 87 96 A V H X S+ 0 0 2 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.898 111.5 53.1 -59.2 -42.6 73.5 60.3 86.9 88 97 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 3,-0.3 0.947 110.4 46.2 -58.6 -52.0 70.0 59.4 86.0 89 98 A L H X>S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 5,-1.4 0.952 110.2 51.1 -56.4 -56.0 70.5 55.7 86.5 90 99 A K H <5S+ 0 0 17 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.786 111.6 50.6 -54.5 -28.6 72.3 56.1 89.9 91 100 A Y H <5S+ 0 0 19 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.848 105.8 54.2 -77.9 -36.2 69.3 58.2 91.0 92 101 A I H <5S- 0 0 6 -4,-1.9 -2,-0.2 -3,-0.5 -1,-0.2 0.819 136.2 -79.4 -67.4 -30.9 66.8 55.6 89.9 93 102 A G T <5S+ 0 0 42 -4,-1.9 -3,-0.2 1,-0.2 -4,-0.1 0.149 84.1 135.9 155.1 -26.1 68.4 53.0 92.0 94 103 A M < - 0 0 11 -5,-1.4 2,-0.4 -6,-0.1 -1,-0.2 -0.080 45.8-135.4 -49.2 146.5 71.5 51.7 90.2 95 104 A S > - 0 0 44 1,-0.1 3,-0.8 -4,-0.0 6,-0.3 -0.874 16.9-122.5-109.8 141.8 74.7 51.3 92.2 96 105 A R T 3 S+ 0 0 94 -2,-0.4 9,-0.1 1,-0.2 -1,-0.1 0.592 110.2 65.3 -56.3 -8.4 78.1 52.5 91.1 97 106 A D T 3 S+ 0 0 120 4,-0.1 -1,-0.2 5,-0.0 5,-0.2 0.919 75.6 95.8 -81.3 -48.2 79.1 48.8 91.6 98 107 A E S X> S- 0 0 87 -3,-0.8 4,-2.0 1,-0.1 3,-1.3 -0.064 86.5-113.4 -45.7 141.9 77.0 47.1 88.9 99 108 A E H 3> S+ 0 0 76 1,-0.3 4,-2.0 2,-0.2 5,-0.4 0.880 113.8 59.5 -46.0 -52.5 78.8 46.5 85.7 100 109 A P H 3> S+ 0 0 31 0, 0.0 4,-0.9 0, 0.0 -1,-0.3 0.837 111.5 43.1 -48.8 -34.8 76.7 48.9 83.6 101 110 A M H <> S+ 0 0 0 -3,-1.3 4,-3.5 -6,-0.3 5,-0.2 0.887 110.6 55.2 -78.9 -41.7 77.9 51.7 86.0 102 111 A Q H X S+ 0 0 59 -4,-2.0 4,-2.8 -5,-0.2 5,-0.2 0.970 110.5 42.3 -55.2 -62.0 81.5 50.5 86.1 103 112 A K H X S+ 0 0 34 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.856 119.3 46.4 -55.3 -38.4 82.2 50.6 82.4 104 113 A A H X S+ 0 0 0 -4,-0.9 4,-1.8 -5,-0.4 -1,-0.2 0.938 111.9 49.4 -70.7 -48.1 80.3 53.9 82.0 105 114 A L H X S+ 0 0 5 -4,-3.5 4,-1.8 1,-0.2 -2,-0.2 0.920 109.0 52.5 -57.6 -47.6 82.0 55.5 85.0 106 115 A R H X S+ 0 0 72 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.879 107.7 52.3 -57.6 -39.6 85.5 54.6 83.8 107 116 A F H < S+ 0 0 31 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.884 106.7 52.9 -63.8 -40.0 84.8 56.1 80.4 108 117 A I H ><>S+ 0 0 0 -4,-1.8 5,-1.9 1,-0.2 3,-0.8 0.862 111.8 46.0 -63.9 -36.3 83.7 59.4 82.0 109 118 A Q H ><5S+ 0 0 48 -4,-1.8 3,-1.9 1,-0.2 85,-0.3 0.875 103.5 61.7 -74.4 -38.5 87.0 59.5 83.9 110 119 A S T 3<5S+ 0 0 58 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.385 105.3 51.6 -69.8 7.0 89.1 58.6 80.9 111 120 A Q T < 5S- 0 0 53 -3,-0.8 86,-0.6 -5,-0.1 -1,-0.3 0.308 129.9 -87.9-123.7 3.9 87.8 61.8 79.3 112 121 A G T X 5 - 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