==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-MAY-12 4F0J . COMPND 2 MOLECULE: PROBABLE HYDROLYTIC ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 312 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13072.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 15 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 3 0 0 0 1 1 1 2 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 0 0 0 1 0 0 1 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 1 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 22 A S 0 0 134 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-178.9 45.0 32.1 -5.5 2 23 A Q + 0 0 181 1,-0.3 197,-0.0 2,-0.0 0, 0.0 0.653 360.0 33.9 -80.5 -19.5 43.2 33.1 -2.3 3 24 A A S S- 0 0 44 200,-0.0 -1,-0.3 199,-0.0 196,-0.0 -0.654 93.3-168.7-128.8 69.8 40.4 30.4 -2.8 4 25 A P - 0 0 14 0, 0.0 2,-0.5 0, 0.0 202,-0.1 -0.282 17.1-134.8 -67.6 151.5 42.6 27.7 -4.5 5 26 A V - 0 0 93 201,-0.1 2,-0.3 200,-0.1 199,-0.2 -0.924 25.2-172.7-105.0 120.3 41.1 24.7 -6.2 6 27 A Y - 0 0 30 197,-1.9 201,-0.5 -2,-0.5 203,-0.4 -0.812 21.7-108.9-112.5 156.9 42.8 21.4 -5.3 7 28 A G > - 0 0 20 4,-1.8 3,-2.1 -2,-0.3 200,-0.1 -0.124 40.1 -86.9 -79.4 179.8 42.3 17.9 -6.8 8 29 A E T 3 S+ 0 0 66 1,-0.3 -1,-0.1 2,-0.1 196,-0.1 0.803 132.4 37.3 -53.2 -33.7 40.7 14.8 -5.4 9 30 A R T 3 S- 0 0 63 76,-0.1 -1,-0.3 79,-0.0 -2,-0.1 -0.187 130.2 -91.0-115.0 35.3 44.0 13.8 -3.9 10 31 A L X + 0 0 0 -3,-2.1 3,-1.9 1,-0.2 -2,-0.1 0.736 63.2 176.0 59.4 32.2 45.1 17.3 -2.9 11 32 A E T 3 + 0 0 102 1,-0.2 -4,-1.8 193,-0.0 -1,-0.2 -0.395 65.8 33.0 -63.6 136.4 46.9 17.9 -6.3 12 33 A G T 3 S+ 0 0 62 1,-0.2 2,-0.5 -6,-0.2 -1,-0.2 0.188 96.5 99.3 97.6 -13.6 48.1 21.5 -6.3 13 34 A F < - 0 0 2 -3,-1.9 2,-0.4 187,-0.0 -1,-0.2 -0.920 64.0-143.4-112.1 126.2 48.8 21.7 -2.6 14 35 A D - 0 0 120 -2,-0.5 2,-0.2 -3,-0.1 -3,-0.0 -0.693 2.3-147.5 -96.5 135.7 52.4 21.2 -1.4 15 36 A Y - 0 0 20 -2,-0.4 4,-0.1 2,-0.2 45,-0.1 -0.629 27.3-119.2 -84.8 161.4 53.6 19.5 1.7 16 37 A A S S+ 0 0 58 43,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.455 95.4 47.2 -82.0 -6.4 56.8 20.9 3.3 17 38 A Y S S- 0 0 58 21,-0.0 -2,-0.2 0, 0.0 21,-0.1 -0.926 105.9 -77.4-129.8 163.1 58.7 17.6 2.9 18 39 A P - 0 0 93 0, 0.0 2,-0.5 0, 0.0 19,-0.4 -0.310 49.0-132.1 -65.1 136.3 59.1 15.2 -0.1 19 40 A V - 0 0 42 17,-0.1 2,-0.3 -4,-0.1 17,-0.2 -0.794 23.4-171.1 -97.5 130.8 55.9 13.1 -0.6 20 41 A H E -A 35 0A 81 15,-3.1 15,-2.5 -2,-0.5 2,-0.4 -0.782 6.9-148.4-112.0 162.1 56.2 9.3 -1.0 21 42 A Y E -A 34 0A 108 -2,-0.3 2,-0.5 13,-0.2 13,-0.2 -0.971 7.6-156.7-136.5 146.0 53.6 6.8 -2.0 22 43 A L E -A 33 0A 17 11,-1.9 11,-2.4 -2,-0.4 2,-0.4 -0.993 13.7-152.1-121.5 120.7 52.8 3.2 -1.3 23 44 A D E +A 32 0A 122 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.761 30.1 148.4 -90.5 137.1 50.7 1.2 -3.7 24 45 A F E -A 31 0A 43 7,-2.4 7,-3.0 -2,-0.4 2,-0.4 -0.968 42.4-112.4-157.7 168.2 48.7 -1.7 -2.3 25 46 A T E +A 30 0A 110 -2,-0.3 2,-0.3 5,-0.2 -2,-0.0 -0.923 34.6 166.1-111.3 135.1 45.4 -3.6 -2.7 26 47 A S E > -A 29 0A 13 3,-2.0 3,-1.8 -2,-0.4 -2,-0.1 -0.962 67.9 -3.4-149.1 131.9 42.6 -3.5 -0.1 27 48 A Q T 3 S- 0 0 85 -2,-0.3 64,-0.1 1,-0.3 -1,-0.0 0.869 129.5 -57.6 54.6 40.1 39.0 -4.7 -0.4 28 49 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.549 115.0 114.2 74.0 8.0 39.6 -5.4 -4.0 29 50 A Q E < -A 26 0A 53 -3,-1.8 -3,-2.0 62,-0.0 2,-0.6 -0.893 68.5-124.5-111.9 140.5 40.7 -1.8 -4.8 30 51 A P E -A 25 0A 112 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.735 42.7-179.7 -81.3 126.6 44.1 -0.5 -5.9 31 52 A L E -A 24 0A 8 -7,-3.0 -7,-2.4 -2,-0.6 2,-0.4 -0.844 23.1-152.8-127.7 159.1 45.0 2.2 -3.4 32 53 A S E -A 23 0A 8 -2,-0.3 55,-2.5 -9,-0.2 2,-0.5 -0.993 6.2-158.9-134.0 128.7 47.9 4.6 -2.8 33 54 A X E -A 22 0A 0 -11,-2.4 -11,-1.9 -2,-0.4 2,-0.2 -0.937 12.5-147.4-109.3 124.6 48.9 5.9 0.7 34 55 A A E +A 21 0A 0 -2,-0.5 45,-2.7 45,-0.3 2,-0.3 -0.622 26.6 167.2 -85.9 148.8 50.9 9.2 0.7 35 56 A Y E -AB 20 78A 30 -15,-2.5 -15,-3.1 -2,-0.2 2,-0.4 -0.989 32.8-132.7-159.5 157.8 53.5 9.7 3.5 36 57 A L E - B 0 77A 1 41,-2.5 41,-2.2 -2,-0.3 2,-0.3 -0.889 18.4-173.5-106.3 146.2 56.4 11.8 4.7 37 58 A D E - B 0 76A 43 -19,-0.4 2,-0.5 -2,-0.4 39,-0.2 -0.901 7.3-178.6-147.5 103.3 59.6 10.0 6.0 38 59 A V E - B 0 75A 21 37,-2.8 37,-2.7 -2,-0.3 -2,-0.0 -0.928 13.2-147.9-117.9 129.1 62.2 12.3 7.4 39 60 A A - 0 0 75 -2,-0.5 35,-0.2 35,-0.2 2,-0.1 -0.646 17.2-120.7 -94.6 145.8 65.5 11.1 8.8 40 61 A P - 0 0 25 0, 0.0 3,-0.3 0, 0.0 30,-0.1 -0.427 13.2-129.1 -77.5 155.6 67.4 12.7 11.7 41 62 A K S S+ 0 0 216 28,-0.4 2,-0.5 1,-0.3 29,-0.1 0.932 106.0 20.2 -64.5 -48.4 71.0 14.1 11.3 42 63 A K S S- 0 0 179 27,-0.3 -1,-0.3 28,-0.1 2,-0.2 -0.969 93.5-130.8-126.0 113.7 72.0 12.1 14.4 43 64 A A - 0 0 74 -2,-0.5 30,-0.2 -3,-0.3 29,-0.1 -0.422 14.6-165.0 -68.5 135.1 69.7 9.2 15.2 44 65 A N - 0 0 68 28,-2.9 29,-0.1 2,-0.3 -1,-0.1 0.440 51.9-107.4 -93.2 -0.3 68.5 8.7 18.8 45 66 A G S S+ 0 0 74 27,-0.5 2,-0.3 1,-0.3 28,-0.1 0.474 85.2 101.3 90.1 5.5 67.4 5.2 18.0 46 67 A R - 0 0 40 26,-0.4 28,-2.0 69,-0.0 2,-0.4 -0.828 54.7-147.8-123.8 159.5 63.7 5.8 18.0 47 68 A T E -c 74 0A 23 -2,-0.3 69,-2.7 67,-0.3 2,-0.4 -0.956 8.4-153.5-128.5 139.3 61.0 6.2 15.3 48 69 A I E -cd 75 116A 0 26,-2.7 28,-2.9 -2,-0.4 2,-0.5 -0.973 1.2-159.8-115.0 136.3 57.8 8.3 15.5 49 70 A L E -cd 76 117A 0 67,-2.5 69,-3.0 -2,-0.4 2,-0.5 -0.967 11.8-158.4-113.7 124.4 54.6 7.8 13.6 50 71 A L E -cd 77 118A 0 26,-2.6 28,-1.4 -2,-0.5 2,-0.5 -0.948 2.7-162.5-107.2 131.8 52.3 10.8 13.3 51 72 A X E -cd 78 119A 1 67,-2.6 69,-2.3 -2,-0.5 72,-0.2 -0.958 14.8-136.7-121.8 117.5 48.5 10.4 12.6 52 73 A H - 0 0 3 26,-0.7 6,-0.1 -2,-0.5 28,-0.1 -0.168 19.1-107.2 -68.5 158.0 46.5 13.4 11.3 53 74 A G > - 0 0 0 69,-0.2 3,-1.1 4,-0.2 68,-0.1 -0.260 42.3 -93.9 -71.6 174.1 43.0 14.6 12.4 54 75 A K T 3 S+ 0 0 21 1,-0.3 -1,-0.1 66,-0.1 -2,-0.1 0.817 126.0 35.3 -60.8 -33.2 40.0 14.1 10.2 55 76 A N T 3 S+ 0 0 37 28,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.302 111.8 66.8-108.9 6.2 40.4 17.6 8.7 56 77 A F < - 0 0 6 -3,-1.1 2,-0.3 144,-0.1 -4,-0.1 -0.628 66.9-141.1-119.2 179.4 44.2 17.9 8.6 57 78 A a >> - 0 0 1 -2,-0.2 3,-1.1 1,-0.1 4,-0.5 -0.804 35.4 -91.2-137.1 175.0 46.9 16.1 6.6 58 79 A A G >4 S+ 0 0 0 1,-0.3 3,-1.5 -2,-0.3 20,-0.1 0.899 123.8 58.3 -54.7 -43.9 50.4 14.7 7.0 59 80 A G G >4 S+ 0 0 1 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.739 89.7 69.6 -58.6 -28.4 51.7 18.1 5.8 60 81 A T G <4 S+ 0 0 16 -3,-1.1 3,-0.4 1,-0.3 -1,-0.3 0.750 89.8 65.3 -67.7 -17.3 50.0 19.9 8.7 61 82 A W G XX + 0 0 9 -3,-1.5 4,-2.7 -4,-0.5 3,-0.6 0.417 67.0 119.6 -77.8 3.4 52.6 18.2 11.0 62 83 A E H <> S+ 0 0 70 -3,-1.7 4,-2.3 1,-0.3 -1,-0.2 0.801 73.9 44.0 -46.1 -48.9 55.5 20.1 9.4 63 84 A R H 3> S+ 0 0 136 -3,-0.4 4,-2.6 2,-0.2 -1,-0.3 0.918 114.3 49.7 -66.3 -40.1 56.7 21.9 12.5 64 85 A T H <> S+ 0 0 5 -3,-0.6 4,-2.8 2,-0.2 5,-0.3 0.905 109.8 52.2 -62.5 -39.7 56.4 18.8 14.7 65 86 A I H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.953 109.9 48.5 -61.0 -48.9 58.4 16.9 12.1 66 87 A D H X S+ 0 0 71 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.947 114.7 45.9 -55.2 -49.2 61.1 19.5 12.1 67 88 A V H X S+ 0 0 17 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.903 115.1 44.3 -62.5 -47.6 61.3 19.5 15.9 68 89 A L H <>S+ 0 0 0 -4,-2.8 5,-2.3 2,-0.2 4,-0.3 0.902 113.3 50.0 -69.9 -37.7 61.3 15.7 16.3 69 90 A A H ><5S+ 0 0 11 -4,-2.6 3,-1.3 -5,-0.3 -28,-0.4 0.898 109.4 52.6 -64.8 -40.8 63.8 15.1 13.5 70 91 A D H 3<5S+ 0 0 140 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.844 105.5 55.1 -63.0 -31.3 66.1 17.7 15.1 71 92 A A T 3<5S- 0 0 42 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.441 129.8 -97.6 -81.8 -2.8 65.8 15.8 18.4 72 93 A G T < 5S+ 0 0 4 -3,-1.3 -28,-2.9 1,-0.3 -27,-0.5 0.449 78.6 132.5 104.2 9.8 67.0 12.6 16.6 73 94 A Y < - 0 0 9 -5,-2.3 2,-0.4 -30,-0.2 -1,-0.3 -0.613 57.2-127.3 -88.4 146.4 63.8 10.7 15.7 74 95 A R E - c 0 47A 63 -28,-2.0 -26,-2.7 -2,-0.3 2,-0.5 -0.782 35.7-151.7 -79.1 135.8 63.0 9.2 12.4 75 96 A V E -Bc 38 48A 1 -37,-2.7 -37,-2.8 -2,-0.4 2,-0.5 -0.963 19.3-177.1-124.4 124.2 59.6 10.7 11.6 76 97 A I E -Bc 37 49A 0 -28,-2.9 -26,-2.6 -2,-0.5 2,-0.5 -0.969 1.4-176.7-120.1 127.5 56.9 9.1 9.5 77 98 A A E -Bc 36 50A 0 -41,-2.2 -41,-2.5 -2,-0.5 2,-0.3 -0.982 12.1-164.4-126.1 121.0 53.6 11.0 8.8 78 99 A V E -Bc 35 51A 1 -28,-1.4 -26,-0.7 -2,-0.5 2,-0.6 -0.823 19.6-140.3-115.4 142.3 51.0 9.1 6.8 79 100 A D - 0 0 0 -45,-2.7 -45,-0.3 -2,-0.3 3,-0.1 -0.911 33.6-131.5 -89.0 116.4 47.8 10.2 5.0 80 101 A Q > - 0 0 2 -2,-0.6 3,-2.1 1,-0.1 6,-0.3 -0.282 32.7 -84.4 -66.3 151.6 45.2 7.5 5.6 81 102 A V T 3 S+ 0 0 0 1,-0.3 7,-0.2 18,-0.1 -1,-0.1 -0.356 122.8 34.5 -45.7 129.8 43.1 6.0 2.8 82 103 A G T 3 S+ 0 0 7 5,-2.7 2,-0.4 1,-0.2 -1,-0.3 0.347 108.5 87.4 100.9 -4.7 40.2 8.5 2.4 83 104 A F S X S- 0 0 12 -3,-2.1 3,-2.2 4,-0.3 -1,-0.2 -0.957 86.7 -40.1-136.6 140.0 42.3 11.6 3.2 84 105 A a T 3 S- 0 0 5 -2,-0.4 -27,-0.1 1,-0.3 -2,-0.1 -0.175 121.2 -2.6 62.4-125.7 44.5 14.2 1.8 85 106 A K T 3 S+ 0 0 19 -75,-0.1 -1,-0.3 -51,-0.1 2,-0.1 0.486 113.8 93.9 -87.4 -0.2 47.0 12.9 -0.8 86 107 A S S < S- 0 0 0 -3,-2.2 -53,-0.2 -6,-0.3 -6,-0.1 -0.404 90.7 -70.0 -82.7 162.6 45.9 9.3 -0.5 87 108 A S - 0 0 14 -55,-2.5 -5,-2.7 -2,-0.1 -4,-0.3 -0.149 31.1-149.0 -46.0 141.1 43.3 7.5 -2.6 88 109 A K - 0 0 13 -7,-0.2 -1,-0.1 -6,-0.1 -7,-0.1 -0.901 29.4-145.8-109.6 88.7 39.7 8.4 -2.3 89 110 A P - 0 0 7 0, 0.0 3,-0.1 0, 0.0 -58,-0.1 -0.272 15.8-134.7 -61.2 147.4 38.2 5.0 -3.2 90 111 A A S S+ 0 0 58 1,-0.2 2,-0.4 125,-0.0 -61,-0.0 0.920 95.7 14.5 -59.0 -40.9 34.9 4.7 -5.1 91 112 A H S S+ 0 0 132 -64,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.996 72.2 142.2-144.0 138.2 34.0 2.0 -2.5 92 113 A Y - 0 0 16 -2,-0.4 2,-0.7 -3,-0.1 -65,-0.1 -0.913 40.3-133.1-168.5 140.0 35.4 1.0 0.9 93 114 A Q - 0 0 159 -2,-0.3 2,-0.3 2,-0.0 5,-0.1 -0.919 36.9-147.0-100.3 108.1 34.1 -0.2 4.2 94 115 A Y + 0 0 11 -2,-0.7 2,-0.3 125,-0.1 3,-0.1 -0.544 29.2 155.7 -84.3 138.1 35.9 1.8 6.8 95 116 A S > - 0 0 29 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.979 50.3-118.6-146.7 158.9 37.0 0.7 10.2 96 117 A F H > S+ 0 0 2 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.846 115.9 55.3 -67.1 -32.3 39.8 1.9 12.5 97 118 A Q H > S+ 0 0 77 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.923 105.9 50.2 -62.6 -42.9 41.2 -1.7 12.3 98 119 A Q H > S+ 0 0 46 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.939 113.9 44.3 -62.2 -45.6 41.4 -1.6 8.5 99 120 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.912 112.8 51.8 -67.2 -40.2 43.2 1.8 8.5 100 121 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.898 110.2 49.5 -58.9 -41.3 45.5 0.7 11.3 101 122 A A H X S+ 0 0 34 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.889 108.2 52.9 -67.7 -35.9 46.4 -2.4 9.3 102 123 A N H X S+ 0 0 10 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.943 112.6 45.3 -61.9 -40.8 47.0 -0.4 6.2 103 124 A T H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.904 110.0 53.5 -69.9 -47.9 49.4 1.8 8.3 104 125 A H H X S+ 0 0 20 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.892 107.3 53.2 -52.1 -39.6 51.1 -1.3 9.9 105 126 A A H X S+ 0 0 40 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.885 108.0 49.1 -65.0 -41.0 51.7 -2.6 6.4 106 127 A L H X S+ 0 0 1 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.934 109.9 51.5 -60.2 -49.5 53.4 0.7 5.4 107 128 A L H <>S+ 0 0 5 -4,-2.6 5,-2.6 1,-0.2 4,-0.4 0.886 107.0 54.4 -61.5 -36.0 55.6 0.6 8.5 108 129 A E H ><5S+ 0 0 121 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.929 108.6 47.9 -55.4 -49.6 56.6 -3.0 7.7 109 130 A R H 3<5S+ 0 0 186 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.780 109.7 53.5 -65.1 -24.0 57.7 -1.8 4.2 110 131 A L T 3<5S- 0 0 26 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.435 117.1-115.2 -90.8 -3.3 59.7 1.1 5.8 111 132 A G T < 5 + 0 0 66 -3,-1.3 2,-0.7 -4,-0.4 -3,-0.2 0.681 61.2 153.1 83.1 17.8 61.5 -1.4 8.1 112 133 A V < + 0 0 13 -5,-2.6 -1,-0.2 1,-0.2 3,-0.1 -0.744 21.5 177.1 -89.3 116.0 60.1 -0.1 11.4 113 134 A A S S+ 0 0 77 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.837 72.1 1.3 -83.1 -32.0 59.9 -2.7 14.1 114 135 A R - 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