==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-OCT-09 2WUV . COMPND 2 MOLECULE: SUBTILISIN CARLSBERG; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR M.CIANCI,B.TOMASZEWKI,J.R.HELLIWELL,P.J.HALLING . 274 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9965.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 5.1 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 21 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 2 0 0 0 0 2 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 2 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 PARALLEL BRIDGES PER LADDER . 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 0 120 0, 0.0 2,-0.4 0, 0.0 78,-0.3 0.000 360.0 360.0 360.0 165.9 41.3 -10.2 5.4 2 2 A Q - 0 0 47 74,-0.2 2,-0.3 76,-0.2 78,-0.2 -0.562 360.0-154.7 -80.6 123.4 38.0 -8.7 4.2 3 3 A T - 0 0 71 76,-3.0 78,-0.3 -2,-0.4 75,-0.1 -0.760 7.7-147.2 -92.6 141.7 34.7 -10.6 4.5 4 4 A V - 0 0 70 -2,-0.3 78,-0.1 76,-0.2 76,-0.1 -0.948 22.5-134.1-105.8 107.2 31.9 -9.7 2.2 5 5 A P > - 0 0 15 0, 0.0 3,-1.7 0, 0.0 199,-0.1 -0.308 22.1-112.9 -62.6 152.5 28.7 -10.3 4.2 6 6 A Y T 3> S+ 0 0 60 1,-0.3 4,-1.9 197,-0.2 5,-0.1 0.750 111.4 68.9 -64.7 -23.4 26.1 -12.2 2.2 7 7 A G H 3> S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 6,-0.3 0.827 87.8 65.6 -62.2 -30.2 23.8 -9.2 2.2 8 8 A I H <4>S+ 0 0 2 -3,-1.7 5,-2.2 1,-0.2 6,-0.8 0.945 112.2 29.2 -66.2 -50.8 26.1 -7.3 -0.1 9 9 A P H >45S+ 0 0 50 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.762 111.9 67.6 -77.6 -22.9 25.8 -9.5 -3.3 10 10 A L H 3<5S+ 0 0 39 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.900 108.7 36.9 -60.1 -37.2 22.3 -10.6 -2.3 11 11 A I T 3<5S- 0 0 0 -4,-1.8 258,-2.7 -5,-0.1 259,-0.6 0.409 118.2-118.1 -89.4 2.3 21.1 -7.0 -3.0 12 12 A K T <>5S+ 0 0 68 -3,-0.8 4,-1.0 256,-0.2 -4,-0.1 0.711 71.3 138.3 65.1 30.5 23.6 -6.9 -5.9 13 13 A A H >< + 0 0 0 -5,-2.2 4,-2.2 -6,-0.3 5,-0.2 0.740 64.8 64.9 -70.9 -25.7 25.6 -4.0 -4.4 14 14 A D H > S+ 0 0 63 -6,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.956 99.9 51.6 -63.3 -45.5 28.8 -5.8 -5.5 15 15 A K H 4 S+ 0 0 99 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.844 111.3 46.3 -59.3 -37.1 27.8 -5.4 -9.1 16 16 A V H ><>S+ 0 0 1 -4,-1.0 5,-1.8 2,-0.2 3,-0.9 0.915 112.4 50.4 -70.6 -43.3 27.2 -1.6 -8.7 17 17 A Q H ><5S+ 0 0 14 -4,-2.2 3,-1.3 1,-0.3 -2,-0.2 0.818 105.2 57.4 -60.2 -37.0 30.5 -1.2 -6.8 18 18 A A T 3<5S+ 0 0 88 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.663 100.5 56.9 -71.5 -18.6 32.4 -3.0 -9.5 19 19 A Q T < 5S- 0 0 102 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.446 128.2-102.9 -87.2 0.1 31.1 -0.4 -12.0 20 20 A G T < 5S+ 0 0 47 -3,-1.3 2,-0.6 1,-0.2 -3,-0.2 0.580 82.2 127.9 90.9 11.2 32.8 2.1 -9.8 21 21 A F < + 0 0 65 -5,-1.8 -1,-0.2 1,-0.1 -2,-0.2 -0.896 15.8 150.2 -99.9 115.8 29.7 3.6 -7.9 22 22 A K S S- 0 0 74 -2,-0.6 64,-2.4 62,-0.1 65,-0.3 0.226 70.4 -90.0-133.3 12.8 30.3 3.4 -4.2 23 23 A G > - 0 0 0 209,-0.3 3,-2.2 208,-0.2 65,-0.3 0.676 57.2-177.5 86.9 16.0 28.4 6.3 -2.7 24 24 A A T 3 S- 0 0 63 1,-0.3 63,-0.2 63,-0.1 -1,-0.2 -0.208 70.4 -0.1 -53.3 129.5 31.2 9.0 -2.9 25 25 A N T 3 S+ 0 0 133 61,-0.9 2,-0.5 1,-0.2 -1,-0.3 0.729 93.6 132.6 62.3 20.0 30.2 12.3 -1.5 26 26 A V < - 0 0 7 -3,-2.2 62,-2.2 60,-0.2 2,-0.6 -0.918 53.5-136.7 -94.2 130.7 26.7 11.1 -0.5 27 27 A K E -a 88 0A 72 -2,-0.5 92,-2.6 90,-0.2 93,-1.6 -0.787 24.0-176.5 -92.9 119.9 25.9 12.2 3.1 28 28 A V E -ab 89 120A 0 60,-2.7 62,-2.7 -2,-0.6 2,-0.5 -0.970 10.9-156.5-116.4 123.6 24.2 9.5 5.1 29 29 A A E -ab 90 121A 0 91,-2.8 93,-2.7 -2,-0.5 2,-0.7 -0.850 3.1-156.0 -98.1 129.2 23.1 10.0 8.7 30 30 A V E -ab 91 122A 0 60,-2.7 62,-2.3 -2,-0.5 2,-0.8 -0.912 5.6-160.2-104.2 106.5 22.7 7.0 11.0 31 31 A L E +ab 92 123A 0 91,-2.5 93,-0.7 -2,-0.7 2,-0.2 -0.826 52.1 92.0 -87.5 110.9 20.2 7.9 13.7 32 32 A D E S-a 93 0A 0 60,-1.8 63,-2.2 -2,-0.8 62,-2.2 -0.719 93.1 -37.2-170.1-152.8 21.1 5.3 16.4 33 33 A T S S- 0 0 0 1,-0.4 27,-0.4 -2,-0.2 28,-0.3 0.249 93.5 -98.9 -83.0 17.7 23.2 4.6 19.5 34 34 A G - 0 0 0 58,-0.3 -1,-0.4 -4,-0.2 2,-0.3 -0.594 42.3 -90.6 90.2-170.2 26.1 6.5 18.0 35 35 A I - 0 0 0 21,-1.1 2,-1.8 23,-0.4 3,-0.1 -0.988 23.2-117.0-146.3 134.8 29.1 5.0 16.2 36 36 A Q > - 0 0 14 -2,-0.3 3,-2.3 1,-0.2 22,-0.2 -0.590 35.6-173.1 -71.7 87.7 32.5 3.8 17.5 37 37 A A T 3 S+ 0 0 31 -2,-1.8 7,-0.3 20,-1.5 -1,-0.2 0.757 76.1 62.5 -64.0 -23.3 34.3 6.4 15.3 38 38 A S T 3 S+ 0 0 94 19,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 0.516 72.7 120.7 -75.6 -1.5 37.7 4.9 16.3 39 39 A H X - 0 0 3 -3,-2.3 3,-1.5 1,-0.2 168,-0.0 -0.420 66.4-136.0 -65.9 134.3 36.9 1.5 14.6 40 40 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.2 0, 0.0 38,-0.1 0.665 100.9 55.2 -71.1 -10.2 39.5 0.9 11.9 41 41 A D T 3 S+ 0 0 0 32,-0.1 33,-2.8 35,-0.0 2,-0.3 0.354 102.7 65.5-101.9 12.0 36.9 -0.2 9.4 42 42 A L < - 0 0 10 -3,-1.5 2,-0.5 31,-0.2 31,-0.1 -0.958 58.1-159.3-128.5 145.6 34.6 3.0 9.6 43 43 A N - 0 0 91 -2,-0.3 46,-0.8 29,-0.3 2,-0.6 -0.890 12.3-173.0-125.8 102.2 35.2 6.6 8.7 44 44 A V E -c 89 0A 24 -2,-0.5 46,-0.2 -7,-0.3 3,-0.1 -0.848 5.1-177.2 -93.8 119.1 32.8 8.9 10.6 45 45 A V E - 0 0 71 44,-2.2 2,-0.3 -2,-0.6 45,-0.2 0.659 59.7 -27.8 -93.7 -12.6 33.1 12.5 9.3 46 46 A G E +c 90 0A 12 43,-1.0 45,-2.3 10,-0.1 2,-0.3 -0.958 60.3 149.2-176.5-173.3 30.6 14.3 11.7 47 47 A G E -c 91 0A 18 -2,-0.3 2,-0.3 43,-0.3 45,-0.3 -0.958 27.0-119.4 153.9-171.0 27.5 14.0 13.8 48 48 A A E -c 92 0A 13 43,-2.1 45,-2.8 -2,-0.3 2,-0.5 -0.982 13.7-133.2-162.9 154.2 25.6 15.2 16.8 49 49 A S E +c 93 0A 39 -2,-0.3 45,-0.2 43,-0.2 7,-0.1 -0.974 17.7 176.3-124.4 126.1 24.3 13.8 20.0 50 50 A F + 0 0 74 43,-3.0 2,-0.4 -2,-0.5 44,-0.1 0.055 61.9 96.4-104.7 21.7 20.8 14.4 21.4 51 51 A V S > S- 0 0 25 3,-0.3 3,-1.1 42,-0.2 2,-0.1 -0.958 80.3-115.8-118.4 127.2 21.4 12.1 24.2 52 52 A A T 3 S+ 0 0 101 -2,-0.4 -2,-0.1 1,-0.2 3,-0.1 -0.406 92.0 8.9 -64.0 129.4 22.6 13.4 27.6 53 53 A G T 3 S+ 0 0 90 -2,-0.1 2,-0.4 1,-0.1 -1,-0.2 0.341 107.0 90.5 92.9 -6.8 26.1 12.3 28.8 54 54 A E < - 0 0 45 -3,-1.1 -3,-0.3 39,-0.1 -1,-0.1 -0.974 67.1-135.0-129.4 129.0 27.3 10.6 25.6 55 55 A A > - 0 0 54 -2,-0.4 3,-1.1 1,-0.1 -7,-0.1 -0.364 28.7-114.5 -69.4 175.7 29.3 12.2 22.7 56 57 A Y T 3 S+ 0 0 71 1,-0.3 -21,-1.1 -22,-0.1 -8,-0.1 0.778 108.4 61.3 -83.9 -16.9 28.1 11.2 19.1 57 58 A N T 3 S+ 0 0 63 -23,-0.2 -20,-1.5 -21,-0.1 -19,-0.4 0.155 92.0 69.0-107.0 17.9 31.3 9.4 18.3 58 59 A T < - 0 0 75 -3,-1.1 -23,-0.4 -22,-0.2 2,-0.4 -0.906 61.0-158.8-122.8 159.8 31.2 6.7 20.8 59 60 A D + 0 0 12 -2,-0.3 -25,-0.1 -25,-0.2 -23,-0.1 -0.877 14.6 175.5-141.7 104.4 28.8 3.7 21.0 60 61 A G S S+ 0 0 60 -27,-0.4 -1,-0.1 -2,-0.4 -26,-0.1 0.455 84.5 46.9 -87.2 -3.7 28.2 1.9 24.3 61 62 A N S S- 0 0 54 -28,-0.3 -1,-0.1 35,-0.0 36,-0.1 0.818 90.2-139.9 -99.9 -49.1 25.5 -0.3 22.8 62 63 A G S > S+ 0 0 0 -29,-0.1 4,-2.1 146,-0.1 5,-0.2 0.048 75.8 103.9 108.4 -22.6 27.0 -1.5 19.5 63 64 A H H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.969 82.2 42.3 -56.9 -54.7 23.8 -1.2 17.6 64 65 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.809 112.4 53.5 -67.0 -31.5 24.7 2.0 15.7 65 66 A T H > S+ 0 0 0 2,-0.2 4,-1.5 3,-0.1 142,-0.3 0.892 110.9 47.6 -67.1 -40.7 28.2 0.9 14.9 66 67 A H H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 3,-0.5 0.975 113.5 46.4 -66.4 -51.2 26.8 -2.3 13.4 67 68 A V H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.899 110.9 54.8 -54.2 -43.1 24.2 -0.4 11.4 68 69 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.843 106.0 50.7 -61.7 -34.2 26.9 2.1 10.3 69 70 A G H X S+ 0 0 0 -4,-1.5 4,-2.2 -3,-0.5 -1,-0.2 0.818 104.0 57.4 -78.8 -26.5 29.2 -0.7 8.9 70 71 A T H < S+ 0 0 5 -4,-1.7 13,-2.7 1,-0.2 14,-0.2 0.922 116.5 37.2 -68.3 -37.7 26.4 -2.2 6.9 71 72 A V H < S+ 0 0 0 -4,-1.6 13,-3.1 11,-0.2 -2,-0.2 0.932 140.9 2.6 -67.3 -46.5 26.0 1.2 5.2 72 73 A A H < + 0 0 4 -4,-2.2 -29,-0.3 10,-0.2 -3,-0.2 0.113 66.2 154.7-146.2 14.2 29.7 2.2 5.0 73 74 A A < - 0 0 0 -4,-2.2 9,-2.7 -31,-0.1 -31,-0.2 -0.351 58.3-100.8 -50.7 129.3 32.3 -0.3 6.2 74 75 A L - 0 0 50 -33,-2.8 2,-0.8 7,-0.2 4,-0.2 -0.212 23.0-121.4 -63.1 146.2 35.5 0.7 4.3 75 76 A D + 0 0 86 10,-0.2 2,-0.2 6,-0.1 -1,-0.1 -0.760 69.1 105.9 -88.7 105.7 36.6 -1.3 1.3 76 77 A N S S- 0 0 57 -2,-0.8 -74,-0.2 2,-0.3 -35,-0.0 -0.631 86.1 -67.2-158.8-152.4 40.2 -2.4 2.2 77 78 A T S S+ 0 0 125 -2,-0.2 2,-0.3 -76,-0.1 -2,-0.1 0.040 103.5 58.6-112.6 30.1 41.9 -5.6 3.3 78 79 A T S S- 0 0 58 -4,-0.2 -2,-0.3 2,-0.2 -76,-0.2 -0.956 92.1 -5.3-146.5 166.0 40.2 -6.0 6.6 79 80 A G S S- 0 0 6 -2,-0.3 -76,-3.0 -78,-0.3 2,-0.2 -0.249 97.8 -34.3 63.3-124.2 37.0 -6.4 8.5 80 81 A V - 0 0 1 -78,-0.2 2,-0.4 -6,-0.1 -4,-0.3 -0.545 50.7-117.8-125.7-171.2 33.8 -6.2 6.3 81 82 A L - 0 0 15 -78,-0.3 -7,-0.2 -2,-0.2 -73,-0.1 -1.000 24.1-140.1-135.4 128.0 32.6 -4.2 3.3 82 83 A G - 0 0 0 -9,-2.7 -11,-0.2 -2,-0.4 -10,-0.2 -0.357 26.1-111.3 -79.7 169.2 29.6 -1.8 3.4 83 84 A V S S+ 0 0 0 -13,-2.7 -11,-0.2 1,-0.3 -12,-0.2 0.892 117.7 19.1 -64.0 -39.2 26.9 -1.5 0.7 84 85 A A S > S+ 0 0 0 -13,-3.1 3,-1.6 -14,-0.2 -1,-0.3 -0.723 74.8 176.6-130.7 81.1 28.3 2.0 -0.1 85 86 A P T 3 S+ 0 0 6 0, 0.0 -10,-0.2 0, 0.0 -62,-0.1 0.577 74.0 57.3 -73.3 -5.1 31.8 2.1 1.3 86 87 A S T 3 S+ 0 0 56 -64,-2.4 -61,-0.9 -12,-0.1 -60,-0.2 0.313 78.5 120.9-101.0 7.5 32.6 5.7 0.0 87 88 A V S < S- 0 0 10 -3,-1.6 2,-0.8 -65,-0.3 -60,-0.2 -0.281 71.5-113.3 -66.7 154.7 29.8 7.6 1.7 88 89 A S E -a 27 0A 23 -62,-2.2 -60,-2.7 -65,-0.3 2,-0.4 -0.879 41.3-151.5 -81.7 112.1 30.3 10.5 4.1 89 90 A L E -ac 28 44A 1 -46,-0.8 -44,-2.2 -2,-0.8 -43,-1.0 -0.756 13.9-168.3 -96.5 128.6 29.0 8.9 7.3 90 91 A Y E -ac 29 46A 33 -62,-2.7 -60,-2.7 -2,-0.4 2,-0.7 -0.966 13.0-145.7-117.2 133.7 27.4 11.0 10.1 91 92 A A E -ac 30 47A 0 -45,-2.3 -43,-2.1 -2,-0.4 2,-0.7 -0.870 16.6-178.3 -96.2 116.6 26.6 9.6 13.6 92 93 A V E -ac 31 48A 0 -62,-2.3 -60,-1.8 -2,-0.7 2,-0.7 -0.913 17.1-150.4-115.5 102.7 23.5 11.2 15.0 93 94 A K E +ac 32 49A 0 -45,-2.8 -43,-3.0 -2,-0.7 -60,-0.2 -0.655 39.7 145.3 -82.4 115.3 23.1 9.7 18.5 94 95 A V + 0 0 2 -62,-2.2 8,-0.3 -2,-0.7 2,-0.3 0.426 60.9 65.9-124.2 -8.1 19.4 9.6 19.4 95 96 A L S S- 0 0 10 -63,-2.2 6,-0.2 -3,-0.1 -44,-0.1 -0.891 76.8-131.6-118.0 145.2 19.5 6.4 21.4 96 97 A N > - 0 0 51 4,-2.7 3,-2.3 -2,-0.3 -2,-0.1 -0.221 41.1 -85.9 -87.7-178.9 21.3 5.8 24.7 97 98 A S T 3 S+ 0 0 55 1,-0.3 -34,-0.1 2,-0.2 -1,-0.1 0.697 127.5 60.5 -69.8 -17.0 23.7 2.9 25.5 98 99 A S T 3 S- 0 0 99 2,-0.2 -1,-0.3 -37,-0.0 3,-0.1 0.409 121.9-106.2 -82.8 -1.2 20.7 0.7 26.6 99 100 A G S < S+ 0 0 32 -3,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.695 82.6 100.8 89.5 16.6 19.3 1.1 23.1 100 101 A S + 0 0 71 -4,-0.1 -4,-2.7 25,-0.1 2,-0.3 -0.932 39.4 175.2-137.0 165.8 16.5 3.5 23.6 101 102 A G - 0 0 41 -2,-0.3 2,-0.2 -6,-0.2 -6,-0.1 -0.930 29.3 -95.3-152.5 176.3 15.5 7.2 23.3 102 103 A S > - 0 0 67 -8,-0.3 4,-1.9 -2,-0.3 5,-0.2 -0.610 32.8-116.2 -98.6 160.4 12.9 9.9 23.6 103 104 A Y H > S+ 0 0 107 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.851 114.5 52.2 -59.5 -40.3 10.7 11.3 20.8 104 105 A S H > S+ 0 0 85 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.908 107.5 51.7 -71.2 -32.7 12.1 14.8 21.1 105 106 A G H > S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.936 113.1 45.7 -61.3 -45.5 15.8 13.5 20.8 106 107 A I H X S+ 0 0 15 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.971 113.1 48.7 -61.9 -52.2 14.8 11.5 17.6 107 108 A V H X S+ 0 0 9 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.947 110.9 52.5 -52.4 -52.3 12.9 14.5 16.2 108 109 A S H X S+ 0 0 42 -4,-3.4 4,-2.7 1,-0.2 -1,-0.2 0.894 109.5 48.8 -47.2 -43.4 16.0 16.7 17.0 109 110 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.889 110.4 50.2 -70.7 -36.0 18.2 14.2 15.1 110 111 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.974 113.0 46.1 -66.9 -47.5 15.9 14.2 12.2 111 112 A E H X S+ 0 0 99 -4,-2.9 4,-3.2 1,-0.2 5,-0.2 0.904 110.1 54.6 -57.8 -43.5 15.9 18.0 12.1 112 113 A W H X S+ 0 0 59 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.922 110.3 45.7 -56.5 -45.5 19.7 18.1 12.5 113 114 A A H <>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 -1,-0.2 0.892 113.8 48.4 -69.7 -37.7 20.2 15.9 9.5 114 115 A T H ><5S+ 0 0 15 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.950 114.7 46.6 -66.4 -42.8 17.7 17.9 7.4 115 116 A T H 3<5S+ 0 0 99 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.860 110.8 52.5 -67.5 -33.0 19.3 21.2 8.4 116 117 A N T 3<5S- 0 0 73 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.193 118.0-102.5 -95.2 19.6 22.8 19.9 7.8 117 118 A G T < 5 + 0 0 42 -3,-1.2 -90,-0.2 1,-0.2 -3,-0.2 0.721 53.8 172.8 77.1 23.0 22.3 18.7 4.2 118 119 A M < - 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