==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-JUL-06 2IXV . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PHAGE CP-1; . AUTHOR I.PEREZ-DORADO,J.A.HERMOSO . 338 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 19.2 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 . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 . 32 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 1 3 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 2 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 PARALLEL BRIDGES PER LADDER . 5 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 3 0 0 1 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 2 A V 0 0 33 0, 0.0 188,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 156.5 26.1 33.6 21.4 2 3 A K > - 0 0 71 186,-0.2 3,-2.4 1,-0.2 183,-0.3 -0.761 360.0 -58.6-122.4 167.7 29.9 34.2 21.0 3 4 A K T 3 S+ 0 0 56 1,-0.3 183,-0.2 -2,-0.3 -1,-0.2 -0.101 123.3 14.5 -45.0 139.0 32.1 37.3 20.9 4 5 A N T 3 S+ 0 0 19 181,-3.9 -1,-0.3 1,-0.2 182,-0.1 0.394 90.4 136.3 71.8 -0.7 31.2 39.6 18.0 5 6 A D < - 0 0 47 -3,-2.4 180,-2.6 180,-0.1 2,-0.3 -0.333 47.5-134.1 -67.6 162.5 27.9 38.0 17.5 6 7 A L E +A 184 0A 55 178,-0.2 2,-0.3 -3,-0.1 23,-0.3 -0.849 26.1 172.6-120.6 157.0 25.1 40.5 16.9 7 8 A F E -A 183 0A 0 176,-1.7 176,-1.6 -2,-0.3 2,-0.3 -0.980 20.5-137.9-158.2 155.8 21.6 40.9 18.3 8 9 A V E -Ab 182 30A 0 21,-2.5 23,-1.4 -2,-0.3 2,-0.4 -0.869 11.7-148.1-115.0 148.6 18.7 43.4 18.2 9 10 A D E -Ab 181 31A 3 172,-1.0 172,-0.5 -2,-0.3 2,-0.3 -0.967 21.1-177.4-118.6 140.3 16.5 44.4 21.1 10 11 A V E + b 0 32A 0 21,-1.6 23,-2.5 -2,-0.4 2,-0.2 -0.898 14.9 173.1-134.4 163.4 12.9 45.4 20.6 11 12 A S > - 0 0 19 -2,-0.3 3,-2.2 21,-0.2 4,-0.2 -0.735 64.2 -66.0-147.0-167.8 9.7 46.7 22.4 12 13 A S G > S+ 0 0 49 1,-0.3 3,-1.8 -2,-0.2 4,-0.1 0.760 124.3 77.4 -63.2 -18.6 6.3 47.9 21.3 13 14 A H G 3 S+ 0 0 166 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.690 94.6 49.6 -62.3 -17.5 8.2 50.8 19.8 14 15 A N G < S- 0 0 46 -3,-2.2 3,-0.5 1,-0.2 -1,-0.3 0.392 104.6-143.3-102.9 -0.8 9.1 48.3 17.0 15 16 A G < - 0 0 24 -3,-1.8 -1,-0.2 -4,-0.2 33,-0.1 -0.019 36.2 -52.7 71.6-172.5 5.6 47.0 16.3 16 17 A Y S S+ 0 0 139 1,-0.2 2,-0.4 31,-0.1 -1,-0.2 0.424 120.4 58.6 -86.4 -1.0 4.2 43.6 15.5 17 18 A D + 0 0 106 -3,-0.5 4,-0.2 1,-0.1 -1,-0.2 -0.916 47.1 156.4-133.2 108.2 6.4 43.0 12.5 18 19 A I > + 0 0 2 -2,-0.4 4,-1.8 29,-0.1 5,-0.2 0.219 44.0 107.4-113.5 13.8 10.2 43.0 13.0 19 20 A T H > S+ 0 0 56 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.895 78.7 54.7 -58.3 -40.2 11.2 40.8 10.0 20 21 A G H > S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.957 107.2 45.0 -59.8 -55.6 12.5 43.9 8.3 21 22 A I H > S+ 0 0 26 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.845 112.9 53.4 -61.0 -30.7 14.9 45.1 11.0 22 23 A L H X>S+ 0 0 12 -4,-1.8 4,-2.0 2,-0.2 5,-1.4 0.861 109.4 48.0 -71.3 -34.9 16.2 41.5 11.5 23 24 A E H <5S+ 0 0 151 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.906 112.7 48.6 -70.1 -41.6 16.9 41.2 7.8 24 25 A Q H <5S+ 0 0 134 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.929 114.5 45.3 -62.9 -45.6 18.7 44.6 7.8 25 26 A M H <5S- 0 0 23 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.838 105.7-130.9 -67.5 -34.9 20.8 43.6 10.8 26 27 A G T <5S+ 0 0 68 -4,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.694 73.1 82.6 90.3 20.4 21.5 40.1 9.4 27 28 A T < - 0 0 26 -5,-1.4 -1,-0.3 2,-0.1 -2,-0.2 -0.989 61.4-151.0-151.6 156.6 20.5 38.2 12.5 28 29 A T + 0 0 76 -2,-0.3 25,-3.2 -22,-0.1 2,-0.3 0.330 60.8 122.6-108.1 3.2 17.4 36.8 14.2 29 30 A N E + c 0 53A 24 -23,-0.3 -21,-2.5 23,-0.2 2,-0.3 -0.523 40.8 170.2 -67.6 125.0 19.0 37.1 17.7 30 31 A T E -bc 8 54A 0 23,-1.3 25,-3.1 -2,-0.3 26,-0.9 -0.917 37.8-155.5-137.8 161.5 16.8 39.2 19.8 31 32 A I E -bc 9 56A 0 -23,-1.4 -21,-1.6 -2,-0.3 2,-0.4 -0.968 31.0-158.9-133.9 113.9 16.2 40.4 23.4 32 33 A I E -bc 10 57A 0 24,-1.5 26,-2.0 -2,-0.4 2,-0.2 -0.819 17.5-117.5-106.5 138.1 12.5 41.4 23.7 33 34 A K E + c 0 58A 20 -23,-2.5 26,-0.2 -2,-0.4 3,-0.1 -0.485 33.3 171.4 -69.2 133.7 10.9 43.7 26.2 34 35 A I E - 0 0 0 24,-2.9 8,-2.2 1,-0.3 2,-0.2 0.787 54.5 -3.8-106.5 -52.1 8.3 41.8 28.3 35 36 A S E -Dc 41 59A 0 23,-0.8 25,-2.5 6,-0.2 -1,-0.3 -0.802 42.0-155.7-141.1 177.4 7.3 44.2 31.1 36 37 A E E >> S-Dc 40 60A 36 4,-1.5 4,-1.9 -2,-0.2 3,-0.8 -0.959 70.9 -20.5-155.9 137.6 7.6 47.5 32.9 37 38 A S T 34 S- 0 0 32 23,-1.5 40,-0.1 -2,-0.3 39,-0.1 -0.304 105.6 -62.2 55.9-142.2 6.7 48.4 36.5 38 39 A T T 34 S+ 0 0 46 38,-0.1 -1,-0.2 -3,-0.1 3,-0.0 0.302 131.7 41.1-119.3 8.7 4.2 45.8 37.8 39 40 A T T <4 S+ 0 0 117 -3,-0.8 2,-0.4 1,-0.0 -2,-0.2 0.476 88.6 90.4-134.7 -8.6 1.3 46.4 35.4 40 41 A Y E < -D 36 0A 79 -4,-1.9 -4,-1.5 2,-0.0 2,-0.4 -0.830 43.5-176.7-104.5 134.2 2.6 46.9 31.9 41 42 A L E -D 35 0A 76 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.992 32.7-118.5-127.5 131.7 3.2 44.2 29.2 42 43 A N > - 0 0 5 -8,-2.2 3,-1.4 -2,-0.4 -2,-0.0 -0.528 23.1-154.5 -64.7 113.7 4.6 44.8 25.7 43 44 A P T 3 S+ 0 0 71 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.633 88.2 62.9 -69.6 -10.9 1.7 43.7 23.5 44 45 A C T 3> S+ 0 0 2 1,-0.2 4,-3.0 2,-0.1 5,-0.3 0.444 73.7 103.4 -91.8 -0.1 4.1 42.8 20.6 45 46 A L H <> S+ 0 0 26 -3,-1.4 4,-2.5 1,-0.2 5,-0.2 0.892 78.6 45.2 -48.3 -57.9 5.8 40.1 22.6 46 47 A S H > S+ 0 0 95 -3,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.912 117.0 46.3 -57.3 -44.5 4.3 37.0 21.1 47 48 A A H > S+ 0 0 19 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.945 113.6 47.3 -63.2 -50.5 4.7 38.3 17.5 48 49 A Q H < S+ 0 0 0 -4,-3.0 4,-0.2 2,-0.2 -1,-0.2 0.855 114.2 48.1 -61.9 -34.4 8.3 39.4 18.1 49 50 A V H >< S+ 0 0 27 -4,-2.5 3,-1.9 -5,-0.3 -2,-0.2 0.960 109.8 52.2 -68.4 -50.4 9.1 36.0 19.7 50 51 A E H 3< S+ 0 0 151 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.853 111.7 47.4 -52.4 -39.5 7.5 34.1 16.9 51 52 A Q T 3< S+ 0 0 48 -4,-2.1 -1,-0.3 -5,-0.1 2,-0.2 0.381 117.1 32.9 -86.9 2.4 9.5 36.1 14.3 52 53 A S S < S- 0 0 23 -3,-1.9 -23,-0.2 -4,-0.2 -24,-0.1 -0.724 77.2-104.7-143.1-168.9 12.9 35.7 15.9 53 54 A N E -c 29 0A 83 -25,-3.2 -23,-1.3 -2,-0.2 -4,-0.1 -0.784 41.5-153.3-124.4 81.8 15.4 33.7 18.0 54 55 A P E -c 30 0A 11 0, 0.0 -23,-0.2 0, 0.0 3,-0.1 -0.315 21.3-177.2 -62.1 138.3 15.4 35.3 21.4 55 56 A I E S- 0 0 21 -25,-3.1 32,-1.4 1,-0.3 31,-0.3 0.368 72.9 -19.9-108.9 -3.8 18.5 35.0 23.6 56 57 A G E -ce 31 87A 0 -26,-0.9 -24,-1.5 30,-0.2 -1,-0.3 -0.980 58.6-122.5 177.1 176.3 16.8 36.9 26.4 57 58 A F E -ce 32 88A 0 30,-1.3 32,-3.6 -2,-0.3 2,-0.3 -0.939 22.0-144.9-136.2 157.6 14.1 39.3 27.5 58 59 A Y E -ce 33 89A 15 -26,-2.0 -24,-2.9 -2,-0.3 -23,-0.8 -0.915 4.6-152.5-131.3 158.9 14.1 42.6 29.4 59 60 A H E -ce 35 90A 0 30,-2.4 32,-2.8 -2,-0.3 2,-0.8 -0.990 19.3-133.0-127.3 132.3 12.2 44.6 31.9 60 61 A F E -ce 36 91A 24 -25,-2.5 -23,-1.5 -2,-0.4 32,-0.2 -0.779 31.1-136.0 -88.6 110.2 12.0 48.4 32.2 61 62 A A + 0 0 0 30,-2.7 32,-0.3 -2,-0.8 33,-0.2 -0.385 35.8 165.4 -70.9 139.6 12.6 49.2 35.9 62 63 A R + 0 0 85 -2,-0.1 -1,-0.1 7,-0.1 -24,-0.1 0.199 52.2 99.3-132.5 9.7 10.5 51.8 37.7 63 64 A F > - 0 0 7 1,-0.2 3,-2.4 -26,-0.1 2,-0.4 0.564 57.6-169.6 -79.1 -10.2 11.4 50.8 41.3 64 65 A G T 3 S- 0 0 8 30,-0.3 -1,-0.2 1,-0.3 43,-0.1 -0.399 70.6 -26.0 60.4-113.4 14.0 53.5 41.9 65 66 A G T 3 S+ 0 0 18 -2,-0.4 2,-0.9 31,-0.1 -1,-0.3 0.166 104.6 119.0-118.9 16.5 15.7 52.6 45.2 66 67 A D <> - 0 0 78 -3,-2.4 4,-2.5 1,-0.2 5,-0.2 -0.745 42.4-170.2 -88.6 104.5 12.8 50.7 46.6 67 68 A V H > S+ 0 0 54 -2,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.906 87.6 52.2 -60.3 -44.9 13.9 47.0 47.3 68 69 A A H > S+ 0 0 41 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.876 112.0 47.5 -60.4 -36.7 10.3 45.8 48.1 69 70 A E H > S+ 0 0 48 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.914 107.8 55.3 -70.2 -42.0 9.2 47.4 44.8 70 71 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.895 106.0 52.9 -56.9 -41.2 12.1 45.8 42.9 71 72 A E H X S+ 0 0 71 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.904 110.2 46.5 -61.9 -43.9 11.0 42.4 44.2 72 73 A R H X S+ 0 0 131 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.914 112.9 49.1 -66.6 -42.2 7.4 42.9 42.9 73 74 A E H X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.915 110.4 52.1 -63.2 -40.6 8.6 44.1 39.5 74 75 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 -1,-0.2 0.890 110.0 47.8 -62.4 -40.3 10.9 41.1 39.3 75 76 A Q H X S+ 0 0 81 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.879 110.1 51.0 -70.0 -37.9 8.2 38.7 40.0 76 77 A F H X S+ 0 0 40 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.922 112.8 48.3 -62.1 -43.5 5.8 40.3 37.5 77 78 A F H >< S+ 0 0 0 -4,-2.2 3,-1.6 -5,-0.2 4,-0.2 0.967 113.9 45.2 -60.0 -56.1 8.6 40.0 34.9 78 79 A L H >< S+ 0 0 24 -4,-2.8 3,-2.0 1,-0.3 -2,-0.2 0.920 106.1 60.0 -54.8 -47.9 9.4 36.4 35.8 79 80 A D H 3< S+ 0 0 110 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.662 109.8 45.8 -58.0 -14.2 5.7 35.5 35.8 80 81 A N T << S+ 0 0 51 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.305 72.0 124.6-115.7 10.4 5.6 36.6 32.1 81 82 A V < - 0 0 23 -3,-2.0 3,-0.1 -4,-0.2 -3,-0.0 -0.607 45.3-160.7 -69.9 119.5 8.7 35.0 30.6 82 83 A P + 0 0 71 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.712 64.2 9.2 -77.7 -23.1 7.2 33.1 27.6 83 84 A M S S- 0 0 74 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.987 87.0 -84.8-154.6 160.1 10.0 30.7 27.0 84 85 A Q + 0 0 178 -2,-0.3 2,-0.3 -3,-0.1 -28,-0.0 -0.508 52.5 159.7 -71.9 130.8 13.3 29.5 28.4 85 86 A V - 0 0 15 -2,-0.3 35,-0.1 1,-0.1 -29,-0.1 -0.930 47.2-116.9-143.2 161.5 16.3 31.7 27.5 86 87 A K S S+ 0 0 114 -31,-0.3 34,-2.8 -2,-0.3 2,-0.4 0.863 91.5 46.8 -72.1 -36.4 19.7 32.1 29.1 87 88 A Y E -ef 56 120A 6 -32,-1.4 -30,-1.3 32,-0.2 2,-0.4 -0.868 50.4-173.4-118.9 145.5 19.3 35.8 30.1 88 89 A L E -ef 57 121A 0 32,-1.7 34,-1.3 -2,-0.4 2,-0.4 -1.000 27.7-142.3-128.1 126.5 16.8 38.1 31.7 89 90 A V E -ef 58 122A 0 -32,-3.6 -30,-2.4 -2,-0.4 2,-0.8 -0.788 12.1-151.3-105.0 136.1 17.6 41.8 31.6 90 91 A L E -ef 59 123A 0 32,-3.2 34,-3.0 -2,-0.4 2,-1.0 -0.871 15.3-159.1 -98.4 106.2 17.1 44.6 34.2 91 92 A D E +ef 60 124A 9 -32,-2.8 -30,-2.7 -2,-0.8 2,-0.7 -0.792 18.0 173.1 -90.3 100.7 16.8 47.8 32.2 92 93 A Y + 0 0 0 32,-2.3 34,-0.2 -2,-1.0 -30,-0.1 -0.861 29.5 118.1-113.4 95.5 17.7 50.5 34.7 93 94 A Q + 0 0 57 -2,-0.7 2,-0.3 -32,-0.3 -1,-0.1 0.292 64.3 40.7-142.5 10.7 17.9 53.8 33.0 94 95 A D S S+ 0 0 69 -33,-0.2 -30,-0.3 -3,-0.1 -1,-0.1 -0.978 91.9 31.5-156.6 165.1 15.2 56.1 34.6 95 96 A D + 0 0 74 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 0.881 67.2 176.1 53.2 46.8 13.5 57.1 37.8 96 97 A P - 0 0 43 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.520 27.7-122.4 -79.6 153.5 16.5 56.6 40.1 97 98 A S - 0 0 36 2,-0.2 6,-0.1 36,-0.2 -33,-0.1 -0.442 25.4-108.8 -85.5 168.2 16.1 57.6 43.7 98 99 A G S S+ 0 0 93 -2,-0.1 2,-0.9 1,-0.1 3,-0.1 0.639 102.0 82.2 -72.6 -12.8 18.5 60.1 45.3 99 100 A D > - 0 0 91 1,-0.2 4,-2.4 2,-0.0 -2,-0.2 -0.820 62.5-167.0 -97.3 102.7 20.2 57.4 47.3 100 101 A A H > S+ 0 0 44 -2,-0.9 4,-1.9 1,-0.2 35,-0.4 0.812 89.3 50.0 -57.6 -34.0 22.7 55.7 45.1 101 102 A Q H > S+ 0 0 75 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.877 108.3 51.9 -74.0 -37.4 23.1 52.8 47.5 102 103 A A H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.941 109.8 50.6 -61.8 -46.2 19.4 52.2 47.8 103 104 A N H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.917 111.3 48.5 -55.7 -47.0 19.3 52.1 43.9 104 105 A T H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.925 110.3 50.1 -61.3 -47.2 22.1 49.5 44.0 105 106 A N H X S+ 0 0 68 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.888 111.0 49.6 -60.2 -40.0 20.4 47.4 46.6 106 107 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.911 112.1 48.0 -66.3 -41.1 17.2 47.4 44.7 107 108 A C H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.910 111.4 50.9 -65.5 -41.3 19.0 46.4 41.5 108 109 A L H X S+ 0 0 31 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.891 109.6 49.5 -63.2 -40.5 20.9 43.6 43.3 109 110 A R H X S+ 0 0 86 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.903 111.2 49.8 -65.6 -40.6 17.6 42.2 44.7 110 111 A F H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.952 114.5 44.4 -61.4 -49.8 16.0 42.2 41.3 111 112 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.854 110.1 55.2 -64.6 -35.6 19.1 40.5 39.8 112 113 A Q H X S+ 0 0 57 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.879 106.4 51.7 -66.3 -36.8 19.3 38.0 42.7 113 114 A M H X S+ 0 0 27 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.881 108.6 50.6 -66.9 -38.0 15.6 37.0 42.1 114 115 A I H <>S+ 0 0 0 -4,-1.6 5,-1.8 2,-0.2 4,-0.2 0.928 112.0 48.1 -64.0 -44.4 16.4 36.4 38.4 115 116 A A H ><5S+ 0 0 30 -4,-2.2 3,-2.6 1,-0.2 -2,-0.2 0.954 109.5 51.0 -60.4 -52.0 19.3 34.2 39.3 116 117 A D H 3<5S+ 0 0 109 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.789 103.8 61.1 -57.0 -27.9 17.4 32.2 41.9 117 118 A A T 3<5S- 0 0 49 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.526 126.6-100.3 -77.7 -5.2 14.8 31.6 39.2 118 119 A G T < 5S+ 0 0 65 -3,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.694 85.2 110.6 96.1 20.0 17.4 29.9 37.1 119 120 A Y S - 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