==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 01-SEP-97 1SQC . COMPND 2 MOLECULE: SQUALENE-HOPENE CYCLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALICYCLOBACILLUS ACIDOCALDARIUS; . AUTHOR K.U.WENDT,G.E.SCHULZ . 619 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23380.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 425 68.7 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 . 18 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 1.5 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 . 16 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 256 41.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 2 0 1 2 7 3 5 1 0 1 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 . 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 0 101 0, 0.0 3,-0.8 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 -75.4 82.1 49.4 -1.4 2 11 A Y H 3> + 0 0 50 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.602 360.0 93.0 -61.2 -17.9 84.7 48.3 1.2 3 12 A A H 3> S+ 0 0 50 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.889 88.0 40.3 -44.6 -56.5 86.5 51.6 0.7 4 13 A R H <> S+ 0 0 153 -3,-0.8 4,-2.5 1,-0.2 5,-0.3 0.863 112.5 58.4 -64.6 -35.1 84.7 53.4 3.6 5 14 A T H X S+ 0 0 3 -4,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.921 109.0 45.4 -59.5 -43.8 85.1 50.2 5.6 6 15 A L H X S+ 0 0 7 -4,-2.7 4,-3.4 2,-0.2 -2,-0.2 0.969 111.1 50.3 -64.0 -56.9 88.8 50.4 5.2 7 16 A D H X S+ 0 0 101 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.899 115.0 44.0 -48.5 -50.6 89.2 54.1 6.0 8 17 A R H X S+ 0 0 70 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.911 113.1 52.1 -62.9 -42.4 87.2 53.7 9.2 9 18 A A H X S+ 0 0 1 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.940 112.6 46.1 -58.1 -47.9 89.1 50.5 10.0 10 19 A V H X S+ 0 0 20 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.931 111.1 48.9 -62.5 -51.0 92.4 52.4 9.5 11 20 A E H X S+ 0 0 123 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.773 110.9 55.0 -63.9 -20.3 91.5 55.5 11.5 12 21 A Y H X S+ 0 0 44 -4,-1.5 4,-1.0 -5,-0.2 -1,-0.2 0.888 106.3 47.7 -78.2 -41.8 90.4 53.1 14.2 13 22 A L H >X S+ 0 0 1 -4,-1.9 4,-1.0 1,-0.2 3,-0.6 0.906 109.5 55.0 -63.9 -40.5 93.7 51.2 14.5 14 23 A L H 3< S+ 0 0 28 -4,-2.3 -1,-0.2 1,-0.2 3,-0.2 0.817 105.2 52.6 -62.8 -31.0 95.5 54.6 14.6 15 24 A S H 3< S+ 0 0 82 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.738 106.2 54.3 -76.8 -24.2 93.4 55.6 17.6 16 25 A C H << S+ 0 0 29 -4,-1.0 8,-0.3 -3,-0.6 -1,-0.2 0.664 87.4 102.6 -81.5 -20.3 94.3 52.4 19.5 17 26 A Q S < S- 0 0 16 -4,-1.0 6,-0.2 -3,-0.2 2,-0.1 -0.291 71.4-124.6 -65.4 147.8 98.0 53.0 19.1 18 27 A K - 0 0 83 4,-2.2 3,-0.4 1,-0.1 -1,-0.1 -0.328 21.9-109.1 -85.3 172.6 100.0 54.3 22.0 19 28 A D S S+ 0 0 132 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 0.871 119.6 59.3 -70.7 -37.3 102.2 57.5 22.1 20 29 A E S S- 0 0 108 2,-0.1 -1,-0.2 1,-0.1 310,-0.2 0.652 124.5-108.0 -64.8 -15.4 105.4 55.4 22.3 21 30 A G S S+ 0 0 0 -3,-0.4 2,-0.3 1,-0.3 -2,-0.1 0.678 77.5 112.4 98.1 22.8 104.1 54.0 19.0 22 31 A Y - 0 0 29 308,-0.1 -4,-2.2 -6,-0.1 2,-0.4 -0.848 56.7-129.7-126.3 160.1 102.9 50.4 19.8 23 32 A W + 0 0 2 278,-0.4 282,-0.7 -2,-0.3 281,-0.1 -0.853 24.5 175.0-106.4 143.5 99.7 48.5 19.9 24 33 A W - 0 0 48 -2,-0.4 278,-0.1 -8,-0.3 -2,-0.0 -0.508 2.9-179.6-152.3 80.1 98.8 46.4 23.0 25 34 A G - 0 0 2 275,-0.2 275,-0.5 1,-0.1 279,-0.1 -0.506 38.4-100.3 -79.7 146.3 95.4 44.7 23.2 26 35 A P - 0 0 43 0, 0.0 575,-1.6 0, 0.0 2,-0.6 -0.313 30.0-125.4 -65.1 149.2 94.6 42.6 26.4 27 36 A L E -A 600 0A 2 271,-0.3 2,-0.4 573,-0.2 270,-0.4 -0.885 22.2-150.7-103.0 117.9 95.0 38.9 26.3 28 37 A L E +A 599 0A 48 571,-2.8 571,-2.7 -2,-0.6 561,-0.1 -0.745 33.7 137.1 -93.1 130.3 91.8 37.0 27.4 29 38 A S - 0 0 4 -2,-0.4 2,-0.3 569,-0.2 -1,-0.1 0.232 49.3 -61.1-129.7-108.5 92.0 33.5 29.0 30 39 A N > - 0 0 8 42,-0.0 3,-2.2 39,-0.0 4,-0.3 -0.998 43.4 -87.5-156.9 161.6 90.1 32.2 32.0 31 40 A V T 3> S+ 0 0 4 -2,-0.3 4,-2.1 39,-0.3 3,-0.2 0.548 105.2 77.8 -38.5 -26.9 89.2 32.5 35.7 32 41 A T H 3> S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.807 85.5 64.2 -62.1 -28.9 92.1 30.3 37.0 33 42 A M H <> S+ 0 0 4 -3,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.967 113.5 30.8 -56.3 -55.9 94.5 33.2 36.5 34 43 A E H > S+ 0 0 0 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.719 115.9 59.4 -78.3 -23.5 92.8 35.4 39.1 35 44 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.951 111.3 41.2 -68.7 -45.7 91.7 32.4 41.2 36 45 A E H X S+ 0 0 3 -4,-2.6 4,-3.5 2,-0.2 -2,-0.2 0.804 111.2 58.5 -70.3 -29.2 95.3 31.3 41.7 37 46 A Y H X S+ 0 0 7 -4,-1.2 4,-2.9 -5,-0.3 -1,-0.2 0.941 105.0 49.5 -63.8 -48.2 96.2 35.0 42.1 38 47 A V H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.971 114.2 45.8 -51.8 -55.2 93.8 35.2 45.1 39 48 A L H >X S+ 0 0 4 -4,-2.2 4,-1.9 1,-0.2 3,-0.7 0.915 109.5 55.2 -54.9 -47.0 95.4 32.1 46.4 40 49 A L H 3X S+ 0 0 0 -4,-3.5 4,-2.6 1,-0.3 -1,-0.2 0.915 105.2 52.2 -52.5 -49.5 98.9 33.5 45.8 41 50 A C H 3X>S+ 0 0 1 -4,-2.9 5,-2.3 1,-0.2 4,-0.7 0.792 106.4 55.1 -58.2 -33.1 98.2 36.6 47.8 42 51 A H H X<5S+ 0 0 27 -4,-1.4 3,-0.5 -3,-0.7 -1,-0.2 0.929 110.0 44.7 -65.3 -48.8 97.1 34.4 50.7 43 52 A I H 3<5S+ 0 0 5 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.906 114.2 49.2 -62.1 -44.1 100.3 32.5 50.8 44 53 A L H 3<5S- 0 0 6 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.622 106.7-129.1 -73.6 -11.0 102.4 35.7 50.4 45 54 A D T <<5S+ 0 0 137 -4,-0.7 -3,-0.2 -3,-0.5 -4,-0.1 0.826 74.0 118.4 63.6 37.3 100.4 37.3 53.2 46 55 A R < + 0 0 91 -5,-2.3 2,-0.5 -6,-0.1 -4,-0.1 -0.489 33.8 163.4-131.3 63.4 99.7 40.4 51.1 47 56 A V - 0 0 55 -5,-0.1 2,-0.8 -6,-0.1 3,-0.1 -0.721 22.4-161.8 -90.1 122.7 95.9 40.6 50.7 48 57 A D >> - 0 0 88 -2,-0.5 4,-2.2 1,-0.2 3,-0.8 -0.897 7.4-156.3-103.4 101.8 94.4 43.9 49.4 49 58 A R H 3> S+ 0 0 128 -2,-0.8 4,-1.7 1,-0.3 -1,-0.2 0.810 92.7 55.0 -45.7 -37.8 90.7 43.8 50.3 50 59 A D H 3> S+ 0 0 108 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.900 108.1 48.0 -63.9 -45.3 89.9 46.3 47.6 51 60 A R H <> S+ 0 0 25 -3,-0.8 4,-1.7 1,-0.2 3,-0.3 0.937 107.1 56.7 -62.0 -46.7 91.6 44.2 44.9 52 61 A M H X S+ 0 0 1 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.871 104.6 53.7 -51.9 -43.9 89.7 41.0 46.2 53 62 A E H X S+ 0 0 70 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.891 106.8 49.2 -58.8 -46.3 86.4 42.9 45.6 54 63 A K H X S+ 0 0 23 -4,-1.4 4,-1.5 -3,-0.3 239,-1.4 0.795 114.1 48.0 -66.5 -26.8 87.2 43.7 42.0 55 64 A I H X S+ 0 0 0 -4,-1.7 4,-2.9 237,-0.2 5,-0.3 0.902 107.1 54.6 -78.5 -41.8 88.1 40.1 41.5 56 65 A R H X S+ 0 0 64 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.916 109.9 48.9 -56.4 -42.4 84.9 38.9 43.2 57 66 A R H X S+ 0 0 102 -4,-2.3 4,-2.7 234,-0.2 -1,-0.2 0.909 112.0 47.9 -62.4 -48.1 83.0 41.0 40.7 58 67 A Y H X S+ 0 0 10 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.908 108.2 52.6 -61.3 -48.4 84.9 39.6 37.8 59 68 A L H >X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 3,-0.5 0.941 114.4 44.4 -55.5 -43.9 84.5 36.0 38.8 60 69 A L H 3< S+ 0 0 42 -4,-1.9 3,-0.4 -5,-0.3 -2,-0.2 0.920 108.2 55.2 -67.5 -43.7 80.8 36.5 39.0 61 70 A H H 3< S+ 0 0 114 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.716 113.1 46.7 -62.7 -16.2 80.5 38.4 35.8 62 71 A E H << S+ 0 0 79 -4,-1.2 8,-0.2 -3,-0.5 -1,-0.2 0.736 86.9 97.8 -97.7 -27.0 82.2 35.4 34.2 63 72 A Q S < S- 0 0 28 -4,-1.4 6,-0.2 -3,-0.4 2,-0.1 -0.407 70.6-132.7 -64.7 135.3 80.2 32.6 35.7 64 73 A R > - 0 0 65 4,-2.7 3,-2.2 -2,-0.1 4,-0.1 -0.358 30.0 -91.5 -84.0 171.6 77.4 31.4 33.4 65 74 A E T 3 S+ 0 0 179 1,-0.3 38,-0.1 2,-0.2 -1,-0.1 0.873 123.4 60.8 -50.3 -45.7 73.7 30.7 34.3 66 75 A D T 3 S- 0 0 83 1,-0.1 -1,-0.3 2,-0.1 41,-0.2 0.571 120.4-107.2 -61.5 -7.7 74.4 27.0 35.1 67 76 A G S < S+ 0 0 0 -3,-2.2 2,-0.2 1,-0.3 -2,-0.2 0.609 82.2 111.6 89.5 16.9 76.8 28.2 37.8 68 77 A T - 0 0 2 -4,-0.1 -4,-2.7 -6,-0.1 2,-0.4 -0.709 56.5-135.6-122.5 171.4 79.9 27.2 35.9 69 78 A W - 0 0 5 9,-0.5 9,-2.8 -2,-0.2 13,-0.3 -0.952 17.3-157.6-125.0 143.8 83.0 28.5 34.1 70 79 A A - 0 0 15 -2,-0.4 -39,-0.3 -8,-0.2 4,-0.0 -0.570 29.1-119.3-112.7 175.6 84.5 27.5 30.8 71 80 A L S S+ 0 0 15 5,-0.4 526,-0.3 1,-0.2 -1,-0.1 0.765 102.5 17.2 -83.0 -29.3 87.9 27.8 29.1 72 81 A Y S > S- 0 0 18 4,-0.2 3,-2.0 524,-0.1 -1,-0.2 -0.942 100.7 -82.6-139.0 155.8 86.4 29.9 26.3 73 82 A P T 3 S+ 0 0 46 0, 0.0 514,-0.3 0, 0.0 -2,-0.0 -0.401 117.2 15.0 -62.2 133.5 83.1 31.8 25.9 74 83 A G T 3 S+ 0 0 52 1,-0.3 512,-0.0 -2,-0.1 453,-0.0 0.391 100.6 129.9 83.9 -2.6 80.2 29.5 24.9 75 84 A G < - 0 0 4 -3,-2.0 -1,-0.3 1,-0.1 3,-0.1 -0.280 66.1 -84.8 -82.1 167.7 82.2 26.4 25.9 76 85 A P - 0 0 65 0, 0.0 -5,-0.4 0, 0.0 -4,-0.2 -0.222 60.7 -80.9 -66.2 157.5 81.2 23.4 28.1 77 86 A P - 0 0 53 0, 0.0 2,-0.5 0, 0.0 -7,-0.2 -0.363 43.0-143.6 -63.5 138.9 81.7 23.7 31.8 78 87 A D > - 0 0 36 -9,-2.8 4,-2.0 1,-0.2 -9,-0.5 -0.928 5.9-157.3-105.6 127.8 85.2 23.1 33.0 79 88 A L H > S+ 0 0 20 -2,-0.5 4,-3.0 2,-0.2 5,-0.2 0.985 92.5 47.5 -63.6 -60.0 85.6 21.3 36.3 80 89 A D H > S+ 0 0 6 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.893 114.8 46.1 -47.5 -52.5 89.1 22.5 37.1 81 90 A T H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.909 114.7 47.7 -60.5 -44.2 88.3 26.1 36.3 82 91 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 -13,-0.3 -2,-0.2 0.873 108.1 55.1 -66.8 -37.6 85.1 25.9 38.3 83 92 A I H X S+ 0 0 0 -4,-3.0 4,-1.8 2,-0.2 -1,-0.2 0.901 111.6 43.4 -62.7 -43.8 86.8 24.3 41.3 84 93 A E H X S+ 0 0 4 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.905 112.6 51.0 -70.3 -42.0 89.3 27.1 41.6 85 94 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.901 109.3 53.7 -61.8 -39.0 86.8 29.9 41.0 86 95 A Y H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.924 110.5 45.6 -60.8 -46.0 84.7 28.3 43.7 87 96 A V H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.868 111.8 49.9 -66.7 -42.8 87.6 28.4 46.2 88 97 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.976 112.0 49.7 -60.6 -50.7 88.7 31.9 45.4 89 98 A L H X>S+ 0 0 1 -4,-2.6 5,-1.4 1,-0.2 4,-1.3 0.896 110.9 48.7 -55.8 -43.2 85.1 33.1 45.9 90 99 A K H <5S+ 0 0 19 -4,-2.3 -1,-0.2 1,-0.2 3,-0.2 0.882 108.3 53.5 -66.4 -36.9 84.8 31.2 49.2 91 100 A Y H <5S+ 0 0 29 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.819 106.5 56.1 -65.3 -30.1 88.1 32.7 50.5 92 101 A I H <5S- 0 0 7 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.820 130.6 -79.6 -74.6 -32.4 86.7 36.2 49.7 93 102 A G T <5S+ 0 0 46 -4,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.221 82.1 132.0 155.8 -23.7 83.5 36.0 51.7 94 103 A M < - 0 0 13 -5,-1.4 2,-0.3 1,-0.1 -1,-0.3 -0.270 46.8-140.7 -57.4 136.0 80.9 34.1 49.9 95 104 A S > - 0 0 44 1,-0.1 3,-0.8 89,-0.0 6,-0.3 -0.765 23.8-112.5 -98.6 150.4 79.1 31.4 52.0 96 105 A R T 3 S+ 0 0 98 -2,-0.3 9,-0.1 1,-0.2 -1,-0.1 0.694 111.5 69.0 -54.6 -18.7 78.3 28.0 50.5 97 106 A D T 3 S+ 0 0 116 4,-0.1 -1,-0.2 5,-0.1 5,-0.2 0.929 74.3 100.7 -66.4 -51.3 74.6 29.0 50.8 98 107 A E S X> S- 0 0 83 -3,-0.8 4,-2.4 3,-0.1 3,-0.6 0.031 83.5-111.0 -44.5 139.5 74.5 31.8 48.1 99 108 A E H 3> S+ 0 0 136 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.820 115.1 48.8 -38.0 -57.0 73.1 31.0 44.6 100 109 A P H 3> S+ 0 0 34 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.909 114.7 46.7 -56.0 -43.3 76.4 31.3 42.7 101 110 A M H <> S+ 0 0 0 -3,-0.6 4,-3.0 -6,-0.3 -2,-0.2 0.953 111.4 50.0 -63.2 -53.4 78.1 29.0 45.2 102 111 A Q H X S+ 0 0 75 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.924 110.6 47.4 -51.2 -56.7 75.3 26.3 45.3 103 112 A K H X S+ 0 0 62 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.877 114.0 49.0 -56.9 -39.6 75.0 25.9 41.5 104 113 A A H X S+ 0 0 1 -4,-1.5 4,-2.4 -5,-0.3 3,-0.2 0.986 109.4 51.6 -63.1 -56.5 78.8 25.6 41.2 105 114 A L H X S+ 0 0 6 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.850 105.8 55.1 -46.8 -48.5 79.0 23.1 44.0 106 115 A R H X S+ 0 0 145 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.956 110.1 46.0 -52.3 -54.0 76.3 20.8 42.4 107 116 A F H X S+ 0 0 30 -4,-1.7 4,-1.0 -3,-0.2 -2,-0.2 0.916 111.5 52.4 -55.1 -48.1 78.3 20.7 39.2 108 117 A I H ><>S+ 0 0 0 -4,-2.4 5,-1.9 1,-0.2 3,-0.6 0.909 111.6 45.5 -57.4 -43.9 81.5 20.0 41.1 109 118 A Q H ><5S+ 0 0 53 -4,-2.9 3,-1.4 1,-0.2 85,-0.4 0.869 108.3 56.5 -69.6 -35.4 80.0 17.1 43.0 110 119 A S H 3<5S+ 0 0 54 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.662 103.4 57.0 -69.8 -16.4 78.4 15.6 39.8 111 120 A Q T <<5S- 0 0 55 -4,-1.0 86,-0.5 -3,-0.6 -1,-0.3 0.407 130.6 -87.0 -96.2 2.8 81.8 15.5 38.2 112 121 A G T < 5 - 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