==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 23-FEB-11 3QTL . COMPND 2 MOLECULE: SUBTILISIN-LIKE SERIN PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR R.T.SHENOY,J.SIVARAMAN . 892 5 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30336.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 603 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 105 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 5.2 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 . 11 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 71 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.5 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 8 2 2 1 0 2 4 1 1 4 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 1 6 5 3 3 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 . 11 2 0 0 3 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 . 5 2 0 0 0 1 0 0 2 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 A 0 0 111 0, 0.0 2,-0.4 0, 0.0 78,-0.2 0.000 360.0 360.0 360.0 -33.0 31.3 12.5 53.8 2 2 A Q - 0 0 41 74,-0.2 2,-0.5 76,-0.1 78,-0.2 -0.781 360.0-147.5 -92.0 143.9 30.3 9.0 52.9 3 3 A T - 0 0 68 76,-2.7 78,-0.4 -2,-0.4 75,-0.0 -0.929 2.0-147.6-114.0 129.6 28.5 8.5 49.6 4 4 A V - 0 0 76 -2,-0.5 76,-0.1 76,-0.2 78,-0.1 -0.831 19.8-135.6 -97.5 104.5 25.9 5.8 49.0 5 5 A P > - 0 0 13 0, 0.0 3,-1.7 0, 0.0 195,-0.1 -0.294 22.8-117.2 -55.4 143.7 26.0 4.6 45.4 6 6 A Y T 3> S+ 0 0 64 1,-0.3 4,-1.8 2,-0.2 194,-0.1 0.791 109.4 69.9 -55.6 -29.4 22.5 4.4 44.1 7 7 A G H 3> S+ 0 0 2 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.768 89.3 60.6 -63.3 -28.8 23.0 0.6 43.7 8 8 A I H <4>S+ 0 0 2 -3,-1.7 5,-2.8 1,-0.2 6,-0.5 0.975 112.4 34.5 -65.3 -56.3 23.0 -0.1 47.4 9 9 A P H >45S+ 0 0 41 0, 0.0 3,-0.9 0, 0.0 -2,-0.2 0.800 111.2 66.5 -68.8 -24.5 19.4 1.2 48.1 10 10 A L H 3<5S+ 0 0 37 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.885 108.2 36.4 -63.2 -42.9 18.2 0.0 44.7 11 11 A I T 3<5S- 0 0 0 -4,-1.5 254,-2.1 -3,-0.3 255,-0.5 0.286 119.6-118.9 -88.3 7.8 18.7 -3.6 45.7 12 12 A K T <>5 + 0 0 26 -3,-0.9 4,-1.0 252,-0.2 254,-0.1 0.794 67.6 143.2 59.4 38.0 17.5 -2.5 49.1 13 13 A A H >< + 0 0 0 -5,-2.8 4,-2.3 -6,-0.2 5,-0.2 0.724 64.7 63.1 -78.7 -23.0 20.7 -3.5 50.9 14 14 A D H > S+ 0 0 56 -6,-0.5 4,-2.9 2,-0.2 -1,-0.2 0.913 99.2 54.8 -63.7 -42.7 20.6 -0.4 53.2 15 15 A K H > S+ 0 0 45 2,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.897 110.5 45.5 -57.4 -43.0 17.3 -1.8 54.7 16 16 A V H >X>S+ 0 0 0 -4,-1.0 5,-1.5 2,-0.2 3,-0.8 0.910 112.2 50.1 -67.9 -44.7 19.0 -5.1 55.5 17 17 A Q H ><5S+ 0 0 14 -4,-2.3 3,-1.6 1,-0.3 -2,-0.2 0.892 103.8 61.4 -57.8 -40.0 22.1 -3.3 56.9 18 18 A A H 3<5S+ 0 0 85 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.798 97.3 58.3 -57.8 -29.0 19.6 -1.2 59.0 19 19 A Q H <<5S- 0 0 85 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.737 127.7-101.0 -72.4 -21.4 18.5 -4.5 60.6 20 20 A G T <<5S+ 0 0 48 -3,-1.6 2,-0.6 -4,-0.6 -3,-0.2 0.558 85.2 123.6 108.9 15.9 22.0 -5.0 61.7 21 21 A F < + 0 0 62 -5,-1.5 -1,-0.2 1,-0.1 -2,-0.2 -0.927 16.6 151.2-113.3 113.5 23.1 -7.5 59.1 22 22 A K S S- 0 0 71 -2,-0.6 64,-2.2 62,-0.1 65,-0.7 0.222 72.0 -89.2-127.6 9.1 26.2 -6.4 57.2 23 23 A G > + 0 0 0 205,-0.3 3,-2.0 204,-0.2 65,-0.4 0.583 61.2 178.3 93.1 12.6 27.9 -9.7 56.3 24 24 A A T 3 + 0 0 46 1,-0.3 -1,-0.2 63,-0.2 63,-0.2 -0.125 68.5 7.3 -50.7 140.1 30.0 -10.0 59.4 25 25 A N T 3 S+ 0 0 141 61,-0.6 2,-0.6 1,-0.2 -1,-0.3 0.654 95.6 131.1 59.3 17.7 32.1 -13.2 59.5 26 26 A V < - 0 0 5 -3,-2.0 62,-3.0 60,-0.1 2,-0.7 -0.905 53.9-138.3-101.1 125.3 31.1 -14.0 55.9 27 27 A K E -a 88 0A 81 -2,-0.6 92,-2.2 90,-0.2 93,-2.0 -0.730 24.1-178.3 -90.1 116.0 34.1 -14.9 53.7 28 28 A V E -ab 89 120A 0 60,-2.9 62,-2.4 -2,-0.7 2,-0.5 -0.947 11.1-158.2-118.6 132.0 34.0 -13.4 50.3 29 29 A A E -ab 90 121A 0 91,-2.6 93,-2.7 -2,-0.5 2,-0.8 -0.932 3.1-158.4-112.8 126.0 36.5 -13.9 47.6 30 30 A V E -ab 91 122A 0 60,-2.4 62,-1.9 -2,-0.5 2,-1.0 -0.880 7.6-157.9-101.5 101.9 36.9 -11.5 44.7 31 31 A L E +a 92 0A 0 91,-2.1 93,-0.4 -2,-0.8 2,-0.2 -0.715 52.2 98.3 -83.0 104.1 38.6 -13.3 41.8 32 32 A D E S-a 93 0A 0 60,-1.6 62,-2.5 -2,-1.0 63,-1.8 -0.655 90.5 -46.0-159.7-155.0 40.0 -10.4 39.9 33 33 A T S S- 0 0 1 1,-0.3 27,-0.6 60,-0.2 28,-0.3 0.253 94.3 -93.4 -84.6 13.8 43.1 -8.2 39.2 34 34 A G - 0 0 0 58,-0.3 2,-0.4 -4,-0.2 -1,-0.3 -0.387 41.5 -91.3 98.5 176.9 43.7 -8.0 42.9 35 35 A I - 0 0 0 21,-1.6 2,-1.7 23,-0.4 3,-0.1 -0.998 22.6-121.7-133.1 134.6 42.7 -5.4 45.5 36 36 A Q > - 0 0 19 -2,-0.4 3,-1.4 1,-0.2 22,-0.2 -0.574 33.0-174.2 -69.3 90.6 44.4 -2.2 46.7 37 37 A A T 3 S+ 0 0 31 -2,-1.7 7,-0.4 20,-1.2 -1,-0.2 0.838 75.3 61.2 -57.2 -37.0 44.5 -3.3 50.3 38 38 A S T 3 S+ 0 0 96 19,-0.4 -1,-0.2 -3,-0.1 -2,-0.1 0.620 72.6 121.0 -72.4 -12.6 45.9 0.0 51.5 39 39 A H X - 0 0 2 -3,-1.4 3,-1.8 1,-0.2 164,-0.0 -0.295 69.6-130.6 -50.8 129.1 42.8 1.9 50.3 40 40 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.2 0, 0.0 38,-0.1 0.758 104.2 50.2 -57.6 -28.2 41.3 3.7 53.3 41 41 A D T 3 S+ 0 0 0 32,-0.1 33,-3.4 35,-0.0 2,-0.4 0.384 102.9 71.2 -96.7 3.0 37.8 2.4 52.5 42 42 A L < - 0 0 9 -3,-1.8 2,-0.5 31,-0.2 31,-0.1 -0.929 56.3-163.0-122.4 143.7 38.8 -1.3 52.1 43 43 A N - 0 0 96 -2,-0.4 46,-0.6 29,-0.3 2,-0.5 -0.869 9.9-169.1-125.1 97.6 39.8 -4.0 54.5 44 44 A V E -c 89 0A 24 -2,-0.5 46,-0.2 -7,-0.4 3,-0.1 -0.756 6.4-179.6 -86.3 127.7 41.5 -6.9 52.8 45 45 A V E - 0 0 77 44,-3.2 2,-0.3 -2,-0.5 45,-0.2 0.585 57.3 -38.6-108.4 -13.2 41.9 -9.8 55.3 46 46 A G E +c 90 0A 8 43,-1.0 45,-2.4 10,-0.1 2,-0.3 -0.981 59.3 145.3 175.5-170.0 43.6 -12.4 53.1 47 47 A G E -c 91 0A 17 -2,-0.3 2,-0.3 43,-0.3 45,-0.2 -0.964 32.6-109.4 148.3-163.5 43.8 -14.0 49.7 48 48 A A E -c 92 0A 18 43,-1.6 45,-2.0 -2,-0.3 2,-0.4 -0.962 17.2-128.1-159.3 166.5 46.3 -15.5 47.2 49 49 A S E +c 93 0A 38 -2,-0.3 45,-0.1 43,-0.2 7,-0.1 -0.987 21.0 173.5-132.4 134.7 47.9 -14.8 43.9 50 50 A F + 0 0 76 43,-2.3 2,-0.5 -2,-0.4 58,-0.1 -0.133 58.5 100.6-124.3 34.3 48.3 -16.8 40.7 51 51 A V S > S- 0 0 22 3,-0.4 3,-2.4 44,-0.1 44,-0.1 -0.959 83.4-110.5-124.5 109.9 49.9 -14.0 38.7 52 52 A A T 3 S+ 0 0 106 -2,-0.5 3,-0.1 1,-0.3 -2,-0.1 -0.109 97.7 6.4 -46.6 116.8 53.6 -14.3 38.3 53 53 A G T 3 S+ 0 0 89 1,-0.2 2,-0.4 -4,-0.1 -1,-0.3 0.209 106.5 99.2 102.3 -13.8 55.3 -11.6 40.3 54 54 A E < - 0 0 54 -3,-2.4 -3,-0.4 39,-0.1 -1,-0.2 -0.878 56.6-145.8-115.9 138.2 52.4 -10.0 42.1 55 55 A A - 0 0 53 -2,-0.4 3,-0.5 -3,-0.1 -5,-0.1 -0.261 32.0-110.6 -81.1-179.7 51.0 -10.4 45.6 56 56 A Y S S+ 0 0 79 1,-0.2 -21,-1.6 -7,-0.1 -8,-0.1 0.692 105.4 74.4 -87.7 -18.5 47.3 -10.2 46.3 57 57 A N S S+ 0 0 81 -23,-0.2 -20,-1.2 -21,-0.1 -19,-0.4 0.299 90.3 64.9 -83.7 9.6 47.4 -6.9 48.1 58 58 A T - 0 0 69 -3,-0.5 -23,-0.4 -22,-0.2 2,-0.4 -0.923 59.5-160.8-127.0 159.2 48.0 -4.8 45.0 59 59 A D - 0 0 13 -2,-0.3 -25,-0.2 -25,-0.2 -23,-0.1 -0.896 7.5-179.6-139.3 104.6 45.8 -4.1 41.9 60 60 A G S S+ 0 0 52 -27,-0.6 -26,-0.1 -2,-0.4 37,-0.1 0.474 82.1 45.1 -83.4 -1.4 47.6 -2.8 38.9 61 61 A N S S- 0 0 51 -28,-0.3 -1,-0.1 34,-0.1 36,-0.1 0.850 89.9-133.6-106.3 -55.1 44.4 -2.6 36.8 62 62 A G S > S+ 0 0 0 -28,-0.1 4,-1.6 -29,-0.1 3,-0.2 -0.118 82.6 92.5 122.4 -34.5 41.7 -1.0 38.9 63 63 A H H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 3,-0.5 0.943 83.0 52.2 -55.7 -56.2 38.9 -3.4 38.1 64 64 A G H > S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.821 110.3 48.8 -51.5 -37.5 39.4 -5.7 41.1 65 65 A T H > S+ 0 0 0 -3,-0.2 4,-2.0 2,-0.2 138,-0.3 0.820 108.8 53.1 -77.8 -32.4 39.3 -2.8 43.5 66 66 A H H X S+ 0 0 0 -4,-1.6 4,-1.7 -3,-0.5 137,-0.3 0.978 111.2 45.6 -63.7 -56.1 36.1 -1.4 42.0 67 67 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.893 111.9 51.5 -52.6 -47.1 34.3 -4.8 42.3 68 68 A A H X S+ 0 0 0 -4,-2.0 4,-3.2 -5,-0.2 -1,-0.2 0.913 105.9 56.5 -60.4 -41.8 35.6 -5.3 45.9 69 69 A G H X S+ 0 0 0 -4,-2.0 4,-2.6 134,-0.2 -1,-0.2 0.886 105.0 50.8 -54.0 -43.9 34.3 -1.8 46.8 70 70 A T H < S+ 0 0 6 -4,-1.7 13,-2.4 1,-0.2 -1,-0.2 0.887 115.8 43.2 -63.9 -39.8 30.8 -2.6 45.7 71 71 A V H < S- 0 0 0 -4,-1.8 13,-2.8 11,-0.2 -2,-0.2 0.928 138.4 -2.8 -67.2 -48.7 30.9 -5.8 47.8 72 72 A A H < + 0 0 5 -4,-3.2 -29,-0.3 10,-0.2 -3,-0.2 0.157 68.3 157.4-147.4 23.7 32.5 -4.4 50.9 73 73 A A < - 0 0 0 -4,-2.6 9,-2.4 -5,-0.2 -31,-0.2 -0.308 58.7 -92.0 -52.4 137.7 33.5 -0.7 51.0 74 74 A L - 0 0 48 -33,-3.4 2,-1.0 7,-0.2 4,-0.2 -0.267 27.0-118.8 -66.0 134.5 33.7 0.3 54.6 75 75 A D + 0 0 85 10,-0.2 2,-0.2 -3,-0.1 -1,-0.1 -0.613 69.5 130.8 -69.5 102.6 30.6 1.9 56.3 76 76 A N S S- 0 0 59 -2,-1.0 -74,-0.2 4,-0.4 -35,-0.0 -0.508 81.0 -96.5-138.4-172.8 32.4 5.2 57.1 77 77 A T S S+ 0 0 103 -2,-0.2 2,-0.3 -76,-0.1 -2,-0.1 0.102 106.1 71.9 -93.0 7.0 32.7 8.9 57.2 78 78 A T S S- 0 0 40 -4,-0.2 -2,-0.4 2,-0.2 -76,-0.1 -0.904 95.6 -28.0-137.3 153.5 34.6 8.2 54.0 79 79 A G S S- 0 0 14 -2,-0.3 -76,-2.7 -78,-0.2 2,-0.1 -0.158 94.2 -35.9 52.3-126.4 34.4 7.1 50.4 80 80 A V - 0 0 1 -78,-0.2 -4,-0.4 -76,-0.1 2,-0.4 -0.342 55.3-111.0-117.4-163.7 31.5 4.9 49.5 81 81 A L - 0 0 12 -78,-0.4 -7,-0.2 -2,-0.1 -73,-0.1 -0.989 21.7-141.1-143.0 127.4 29.5 2.1 51.0 82 82 A G - 0 0 0 -9,-2.4 -11,-0.2 -2,-0.4 -10,-0.2 -0.279 25.5-114.4 -83.3 169.7 29.4 -1.6 50.1 83 83 A V S S+ 0 0 0 -13,-2.4 -11,-0.2 1,-0.3 -12,-0.2 0.892 117.3 19.9 -67.0 -40.6 26.5 -4.0 50.0 84 84 A A S > S+ 0 0 0 -13,-2.8 3,-1.9 -14,-0.2 -1,-0.3 -0.653 75.0 173.7-130.2 74.9 28.0 -6.0 52.9 85 85 A P T 3 S+ 0 0 8 0, 0.0 -10,-0.2 0, 0.0 -62,-0.1 0.587 76.0 54.7 -66.0 -13.1 30.5 -3.6 54.5 86 86 A S T 3 S+ 0 0 59 -64,-2.2 -61,-0.6 -12,-0.1 -63,-0.2 0.466 81.8 128.6 -96.7 -3.3 31.4 -6.0 57.4 87 87 A V < - 0 0 11 -3,-1.9 2,-0.8 -65,-0.7 -60,-0.2 0.011 68.6-114.1 -50.9 151.7 32.3 -8.9 55.2 88 88 A S E -a 27 0A 30 -62,-3.0 -60,-2.9 -65,-0.4 2,-0.4 -0.855 43.7-152.5 -88.7 110.2 35.6 -10.8 55.5 89 89 A L E -ac 28 44A 3 -2,-0.8 -44,-3.2 -46,-0.6 -43,-1.0 -0.720 17.6-173.9-103.7 131.1 37.2 -9.8 52.2 90 90 A Y E -ac 29 46A 32 -62,-2.4 -60,-2.4 -2,-0.4 2,-0.6 -0.972 15.8-145.4-125.2 131.4 39.8 -11.8 50.3 91 91 A A E -ac 30 47A 0 -45,-2.4 -43,-1.6 -2,-0.4 2,-0.6 -0.851 15.8-177.8 -93.8 119.8 41.7 -10.8 47.2 92 92 A V E -ac 31 48A 0 -62,-1.9 -60,-1.6 -2,-0.6 2,-0.6 -0.897 16.5-151.2-119.0 99.6 42.4 -13.7 44.8 93 93 A K E +ac 32 49A 0 -45,-2.0 -43,-2.3 -2,-0.6 -60,-0.2 -0.594 39.4 142.9 -79.9 114.8 44.4 -12.4 41.9 94 94 A V + 0 0 4 -62,-2.5 8,-0.4 -2,-0.6 2,-0.4 0.387 59.3 64.8-127.9 -7.1 43.7 -14.3 38.7 95 95 A L S S- 0 0 0 -63,-1.8 6,-0.2 6,-0.1 -34,-0.1 -0.936 78.0-128.8-119.3 144.0 43.9 -11.5 36.2 96 96 A N > - 0 0 51 4,-2.6 3,-2.1 -2,-0.4 -2,-0.1 -0.105 41.7 -82.5 -81.4-174.7 47.0 -9.5 35.4 97 97 A S T 3 S+ 0 0 51 1,-0.3 -1,-0.1 2,-0.1 -64,-0.1 0.690 132.6 54.9 -65.0 -18.5 47.3 -5.7 35.3 98 98 A S T 3 S- 0 0 92 2,-0.2 -1,-0.3 745,-0.0 3,-0.1 0.460 120.7-112.5 -89.2 -4.4 45.8 -5.7 31.7 99 99 A G S < S+ 0 0 0 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.496 74.6 127.0 89.8 5.3 42.9 -7.6 33.1 100 100 A S + 0 0 29 724,-0.1 -4,-2.6 -67,-0.0 2,-0.3 -0.735 29.7 173.6-102.7 147.1 43.5 -10.9 31.3 101 101 A G - 0 0 14 722,-1.8 2,-0.3 -2,-0.3 -6,-0.1 -0.900 25.8-118.1-139.7 167.9 43.8 -14.4 32.9 102 102 A S > - 0 0 59 -8,-0.4 4,-2.6 -2,-0.3 5,-0.3 -0.738 29.6-112.4-106.6 158.9 44.1 -18.0 31.8 103 103 A Y H > S+ 0 0 45 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.893 120.9 47.4 -56.0 -40.2 41.6 -20.8 32.4 104 104 A S H > S+ 0 0 84 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.852 109.6 54.2 -71.6 -33.2 44.1 -22.5 34.7 105 105 A G H > S+ 0 0 8 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.924 113.1 41.9 -62.1 -45.0 44.8 -19.2 36.5 106 106 A I H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.849 112.6 54.9 -72.1 -33.6 41.1 -18.8 37.2 107 107 A V H X S+ 0 0 12 -4,-2.3 4,-2.8 -5,-0.3 5,-0.2 0.926 105.4 52.3 -64.4 -44.5 40.8 -22.5 38.0 108 108 A S H X S+ 0 0 45 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.880 109.5 51.3 -55.7 -40.2 43.5 -22.1 40.6 109 109 A G H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.934 110.2 47.2 -64.8 -47.6 41.6 -19.2 42.1 110 110 A I H X S+ 0 0 3 -4,-2.3 4,-2.6 1,-0.2 3,-0.3 0.964 112.8 48.8 -56.9 -53.6 38.4 -21.2 42.4 111 111 A E H X S+ 0 0 105 -4,-2.8 4,-2.3 1,-0.3 -1,-0.2 0.867 109.4 53.1 -57.8 -38.2 40.1 -24.2 43.9 112 112 A W H X S+ 0 0 50 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.3 0.890 110.0 48.4 -63.6 -38.4 41.8 -21.9 46.5 113 113 A A H <>S+ 0 0 0 -4,-2.0 5,-2.3 -3,-0.3 4,-0.4 0.938 111.8 48.2 -68.3 -46.4 38.5 -20.4 47.4 114 114 A T H ><5S+ 0 0 16 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.890 115.0 46.1 -57.3 -43.2 36.8 -23.8 47.8 115 115 A T H 3<5S+ 0 0 107 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.860 111.2 50.8 -71.1 -37.4 39.8 -25.1 49.9 116 116 A N T 3<5S- 0 0 68 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.376 115.9-111.3 -88.4 6.0 40.0 -22.0 52.1 117 117 A G T < 5 + 0 0 42 -3,-0.7 -90,-0.2 -4,-0.4 -3,-0.2 0.769 47.2 178.1 76.6 29.6 36.2 -22.1 52.9 118 118 A M < - 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