==== 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 2IXU . 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) . 17245.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 65.4 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 . 64 18.9 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 . 30 8.9 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 1 2 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 32 0, 0.0 188,-1.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 160.5 26.1 33.6 21.5 2 3 A K > - 0 0 84 186,-0.2 3,-2.6 1,-0.2 183,-0.3 -0.830 360.0 -56.8-124.6 167.9 29.9 34.2 21.2 3 4 A K T 3 S+ 0 0 53 -2,-0.3 183,-0.2 1,-0.3 -1,-0.2 -0.047 123.4 14.5 -38.1 133.6 32.3 37.2 21.0 4 5 A N T 3 S+ 0 0 20 181,-3.8 -1,-0.3 1,-0.3 182,-0.1 0.397 90.0 135.9 74.8 0.5 31.3 39.5 18.0 5 6 A D < - 0 0 41 -3,-2.6 180,-2.7 180,-0.2 2,-0.3 -0.365 46.9-134.7 -68.5 160.6 27.9 38.0 17.5 6 7 A L E +A 184 0A 53 178,-0.2 2,-0.3 20,-0.1 23,-0.3 -0.863 23.8 176.8-117.8 154.9 25.1 40.6 17.0 7 8 A F E -A 183 0A 0 176,-2.0 176,-1.6 -2,-0.3 2,-0.3 -0.989 19.4-137.7-153.0 155.6 21.6 41.0 18.4 8 9 A V E -Ab 182 30A 0 21,-2.6 23,-1.9 -2,-0.3 2,-0.4 -0.818 11.5-152.7-109.4 149.5 18.7 43.3 18.3 9 10 A D E + b 0 31A 4 172,-0.9 172,-0.5 -2,-0.3 2,-0.3 -0.985 20.9 177.9-123.0 137.4 16.5 44.4 21.2 10 11 A V E + b 0 32A 0 21,-1.7 23,-2.4 -2,-0.4 2,-0.2 -0.900 16.0 174.5-137.4 164.8 12.9 45.5 20.7 11 12 A S > - 0 0 19 -2,-0.3 3,-2.3 21,-0.2 4,-0.3 -0.742 64.4 -64.4-146.6-167.7 9.8 46.7 22.5 12 13 A S G > S+ 0 0 52 1,-0.3 3,-1.5 -2,-0.2 4,-0.1 0.767 124.7 77.1 -59.6 -22.8 6.3 47.9 21.4 13 14 A H G 3 S+ 0 0 169 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.780 94.9 51.1 -56.2 -21.5 8.2 50.9 19.8 14 15 A N G < S- 0 0 46 -3,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.439 104.9-137.6 -99.5 -4.9 9.2 48.3 17.0 15 16 A G < - 0 0 24 -3,-1.5 -1,-0.2 -4,-0.3 3,-0.1 -0.099 35.4 -58.0 80.8-177.0 5.7 47.1 16.2 16 17 A Y S S+ 0 0 144 1,-0.2 2,-0.4 31,-0.1 -1,-0.2 0.330 121.2 59.7 -87.8 2.6 4.2 43.6 15.5 17 18 A D + 0 0 102 -3,-0.5 4,-0.2 1,-0.1 -1,-0.2 -0.867 45.9 155.2-138.4 108.1 6.6 43.0 12.6 18 19 A I > + 0 0 1 -2,-0.4 4,-1.6 29,-0.2 5,-0.1 0.150 43.7 108.3-115.0 18.8 10.3 43.1 13.1 19 20 A T H > S+ 0 0 58 2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.887 78.1 55.2 -63.8 -41.7 11.2 40.9 10.1 20 21 A G H >> S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 3,-0.5 0.966 107.3 45.0 -55.9 -59.5 12.7 43.9 8.3 21 22 A I H 3> S+ 0 0 28 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.822 110.6 56.6 -60.0 -27.2 15.1 45.1 11.0 22 23 A L H 3X>S+ 0 0 12 -4,-1.6 5,-1.5 2,-0.2 4,-1.5 0.886 109.3 46.0 -70.3 -36.3 16.3 41.5 11.5 23 24 A E H <<5S+ 0 0 152 -4,-1.7 -2,-0.2 -3,-0.5 -1,-0.2 0.922 112.4 49.1 -66.3 -47.2 17.2 41.3 7.8 24 25 A Q H <5S+ 0 0 140 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.918 117.1 43.6 -57.7 -43.7 19.0 44.7 7.8 25 26 A M H <5S- 0 0 22 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.783 105.2-134.9 -74.3 -31.1 20.9 43.6 10.8 26 27 A G T <5 + 0 0 66 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.732 69.5 87.3 78.9 26.3 21.5 40.1 9.4 27 28 A T < - 0 0 23 -5,-1.5 -1,-0.2 2,-0.1 -2,-0.2 -0.991 61.6-150.8-146.6 155.6 20.6 38.1 12.6 28 29 A T + 0 0 76 -2,-0.3 25,-3.2 -22,-0.1 2,-0.2 0.398 61.9 121.0 -99.2 -2.7 17.6 36.6 14.3 29 30 A N E + c 0 53A 23 -23,-0.3 -21,-2.6 23,-0.2 2,-0.3 -0.443 39.9 168.0 -62.0 124.1 19.1 37.1 17.8 30 31 A T E -bc 8 54A 0 23,-1.2 25,-2.9 -23,-0.2 26,-1.1 -0.979 37.8-154.0-138.0 158.1 16.8 39.3 20.0 31 32 A I E -bc 9 56A 0 -23,-1.9 -21,-1.7 -2,-0.3 2,-0.4 -0.998 32.3-156.3-123.1 121.7 16.3 40.5 23.5 32 33 A I E -bc 10 57A 0 24,-1.5 26,-2.3 -2,-0.4 2,-0.3 -0.832 17.5-116.6-111.3 141.7 12.6 41.4 23.8 33 34 A K E + c 0 58A 18 -23,-2.4 26,-0.2 -2,-0.4 3,-0.1 -0.536 34.8 170.2 -70.5 126.8 10.8 43.8 26.2 34 35 A I E - 0 0 0 24,-2.7 8,-2.4 1,-0.3 2,-0.3 0.823 54.5 -13.3 -99.3 -54.1 8.4 41.8 28.3 35 36 A S E -Dc 41 59A 0 23,-0.9 25,-2.5 6,-0.2 -1,-0.3 -0.850 42.8-150.0-150.3 174.3 7.3 44.3 31.0 36 37 A E E >> -Dc 40 60A 35 4,-1.4 4,-1.8 -2,-0.3 3,-0.8 -0.982 69.6 -19.0-154.3 140.2 7.6 47.5 32.9 37 38 A S T 34 S- 0 0 33 23,-1.5 40,-0.1 -2,-0.3 39,-0.1 -0.391 105.8 -62.5 59.3-132.0 6.7 48.5 36.5 38 39 A T T 34 S+ 0 0 48 38,-0.1 -1,-0.2 24,-0.1 3,-0.0 0.262 131.1 41.3-126.4 2.2 4.2 45.8 37.9 39 40 A T T <4 S+ 0 0 116 -3,-0.8 2,-0.4 1,-0.0 -2,-0.2 0.478 88.6 88.4-133.1 -8.6 1.3 46.4 35.5 40 41 A Y E < -D 36 0A 82 -4,-1.8 -4,-1.4 2,-0.0 2,-0.4 -0.842 44.0-175.4-107.5 135.5 2.5 46.9 31.9 41 42 A L E -D 35 0A 75 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.998 32.9-116.7-125.9 135.1 3.1 44.2 29.3 42 43 A N > - 0 0 4 -8,-2.4 3,-1.4 -2,-0.4 4,-0.2 -0.550 22.8-155.4 -62.6 112.1 4.6 44.7 25.8 43 44 A P T 3 S+ 0 0 74 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.629 90.1 61.3 -71.1 -11.3 1.7 43.7 23.5 44 45 A C T 3> S+ 0 0 2 1,-0.2 4,-2.6 2,-0.1 5,-0.3 0.479 75.1 104.4 -90.2 -3.9 4.1 42.8 20.6 45 46 A L H <> S+ 0 0 25 -3,-1.4 4,-2.5 1,-0.2 5,-0.2 0.849 78.5 44.2 -45.1 -54.6 5.8 40.2 22.8 46 47 A S H > S+ 0 0 98 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.904 115.1 46.6 -67.7 -41.2 4.4 37.1 21.2 47 48 A A H > S+ 0 0 23 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.894 114.1 49.1 -63.3 -41.8 4.8 38.3 17.5 48 49 A Q H < S+ 0 0 0 -4,-2.6 4,-0.2 2,-0.2 -2,-0.2 0.913 112.4 47.4 -65.8 -43.8 8.4 39.4 18.2 49 50 A V H >< S+ 0 0 26 -4,-2.5 3,-1.9 -5,-0.3 -2,-0.2 0.976 111.8 52.2 -57.7 -55.2 9.2 36.1 19.9 50 51 A E H 3< S+ 0 0 149 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.824 110.4 46.6 -48.1 -43.1 7.6 34.2 17.0 51 52 A Q T 3< S+ 0 0 49 -4,-2.0 -1,-0.3 -5,-0.1 2,-0.2 0.311 117.6 34.1 -86.5 6.2 9.6 36.1 14.3 52 53 A S S < S- 0 0 24 -3,-1.9 -23,-0.2 -4,-0.2 -24,-0.1 -0.753 77.8-105.4-143.9-170.7 13.0 35.7 16.0 53 54 A N E -c 29 0A 83 -25,-3.2 -23,-1.2 -2,-0.2 2,-0.1 -0.820 41.6-153.4-126.5 84.8 15.4 33.7 18.1 54 55 A P E -c 30 0A 12 0, 0.0 -23,-0.2 0, 0.0 3,-0.1 -0.370 23.7-180.0 -61.9 139.9 15.5 35.3 21.6 55 56 A I E S- 0 0 22 -25,-2.9 32,-1.4 1,-0.3 31,-0.3 0.367 73.0 -9.5-111.2 -3.9 18.5 35.0 23.8 56 57 A G E -ce 31 87A 0 -26,-1.1 -24,-1.5 30,-0.2 2,-0.3 -0.980 56.5-133.0-172.8 174.9 16.9 37.1 26.5 57 58 A F E -ce 32 88A 0 30,-0.8 32,-3.0 -2,-0.3 2,-0.3 -0.943 22.7-145.9-138.4 158.8 14.0 39.3 27.6 58 59 A Y E -ce 33 89A 18 -26,-2.3 -24,-2.7 -2,-0.3 -23,-0.9 -0.911 5.7-149.6-132.6 160.0 14.2 42.6 29.5 59 60 A H E -ce 35 90A 0 30,-2.7 32,-2.6 -2,-0.3 2,-0.8 -0.983 19.3-132.2-125.0 133.7 12.2 44.6 32.0 60 61 A F E -ce 36 91A 25 -25,-2.5 -23,-1.5 -2,-0.4 32,-0.2 -0.775 31.8-134.1 -89.8 112.0 12.1 48.3 32.3 61 62 A A + 0 0 0 30,-2.9 32,-0.3 -2,-0.8 33,-0.2 -0.352 38.2 161.9 -67.6 134.7 12.7 49.2 36.0 62 63 A R + 0 0 85 -2,-0.1 -1,-0.1 -25,-0.1 -24,-0.1 0.238 51.9 98.0-128.0 9.6 10.5 51.7 37.8 63 64 A F > - 0 0 8 1,-0.2 3,-2.3 -26,-0.1 2,-0.4 0.581 59.8-169.2 -77.6 -11.4 11.4 50.7 41.4 64 65 A G T 3 - 0 0 9 30,-0.3 -1,-0.2 1,-0.3 43,-0.1 -0.440 68.4 -28.8 65.7-114.9 14.0 53.5 41.9 65 66 A G T 3 S+ 0 0 15 -2,-0.4 2,-0.7 31,-0.1 -1,-0.3 0.174 105.5 116.6-118.9 14.1 15.8 52.6 45.2 66 67 A D <> - 0 0 78 -3,-2.3 4,-2.0 1,-0.2 5,-0.1 -0.768 46.4-165.3 -89.9 111.5 12.9 50.8 46.9 67 68 A V H > S+ 0 0 53 -2,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.901 87.1 53.1 -64.0 -44.4 13.9 47.1 47.4 68 69 A A H > S+ 0 0 40 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.896 111.0 49.1 -60.3 -37.9 10.4 45.8 48.2 69 70 A E H > S+ 0 0 48 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.917 106.8 54.7 -65.5 -43.9 9.2 47.4 44.9 70 71 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.919 105.9 54.3 -58.5 -41.9 12.1 45.8 43.0 71 72 A E H X S+ 0 0 79 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.909 109.7 45.5 -55.1 -49.7 11.0 42.4 44.3 72 73 A R H X S+ 0 0 131 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.889 112.0 51.2 -65.5 -39.0 7.5 42.8 43.0 73 74 A E H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.932 110.1 50.7 -64.7 -41.9 8.7 44.1 39.6 74 75 A A H X S+ 0 0 0 -4,-2.8 4,-3.3 2,-0.2 5,-0.2 0.918 111.5 47.3 -59.0 -44.2 11.0 41.1 39.3 75 76 A Q H X S+ 0 0 83 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.910 110.6 50.0 -67.9 -45.7 8.2 38.7 40.1 76 77 A F H X S+ 0 0 41 -4,-2.5 4,-0.6 2,-0.2 -1,-0.2 0.908 114.8 47.1 -53.2 -43.9 5.8 40.3 37.7 77 78 A F H >< S+ 0 0 0 -4,-2.3 3,-1.4 -5,-0.2 4,-0.3 0.962 113.6 46.3 -62.6 -54.6 8.6 40.0 35.0 78 79 A L H >< S+ 0 0 23 -4,-3.3 3,-1.5 1,-0.3 -2,-0.2 0.884 107.0 58.1 -55.8 -42.3 9.4 36.4 35.8 79 80 A D H 3< S+ 0 0 109 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.691 109.5 46.7 -65.6 -18.1 5.7 35.4 35.8 80 81 A N T << S+ 0 0 54 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.369 73.3 122.9-109.3 4.6 5.6 36.7 32.2 81 82 A V < - 0 0 24 -3,-1.5 3,-0.1 -4,-0.3 -3,-0.0 -0.559 47.3-159.8 -61.6 120.2 8.7 35.1 30.7 82 83 A P + 0 0 70 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.610 65.5 6.8 -85.0 -12.1 7.1 33.1 27.7 83 84 A M S S- 0 0 85 2,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.980 85.9 -86.3-163.9 154.9 10.0 30.7 27.2 84 85 A Q + 0 0 164 -2,-0.3 2,-0.3 -3,-0.1 35,-0.1 -0.394 51.0 158.8 -68.1 137.6 13.3 29.6 28.7 85 86 A V - 0 0 17 -2,-0.1 35,-0.1 -30,-0.1 -29,-0.1 -0.907 48.9-111.1-146.4 167.5 16.3 31.6 27.6 86 87 A K S S+ 0 0 105 -31,-0.3 34,-3.4 -2,-0.3 2,-0.3 0.879 92.7 45.4 -69.8 -39.9 19.7 32.2 29.2 87 88 A Y E -ef 56 120A 6 -32,-1.4 -30,-0.8 32,-0.2 2,-0.4 -0.821 49.0-174.5-118.6 147.9 19.3 35.8 30.2 88 89 A L E -ef 57 121A 0 32,-2.0 34,-1.7 -2,-0.3 2,-0.4 -0.992 27.6-141.6-133.8 132.6 16.8 38.2 31.7 89 90 A V E -ef 58 122A 0 -32,-3.0 -30,-2.7 -2,-0.4 2,-0.9 -0.849 11.7-149.7-112.2 134.7 17.7 41.8 31.8 90 91 A L E -ef 59 123A 0 32,-3.3 34,-2.9 -2,-0.4 2,-0.9 -0.839 16.2-158.2 -93.9 106.7 17.2 44.6 34.3 91 92 A D E +ef 60 124A 10 -32,-2.6 -30,-2.9 -2,-0.9 2,-0.6 -0.778 19.3 172.5 -90.2 104.8 16.8 47.8 32.3 92 93 A Y + 0 0 0 32,-2.6 34,-0.3 -2,-0.9 3,-0.1 -0.885 30.7 114.5-122.6 96.7 17.7 50.5 34.8 93 94 A E + 0 0 55 -2,-0.6 2,-0.3 -32,-0.3 -1,-0.1 0.346 64.4 50.5-149.7 3.5 17.9 53.8 33.3 94 95 A D S S+ 0 0 68 -33,-0.2 -30,-0.3 -3,-0.2 -1,-0.1 -0.938 90.7 23.5-150.1 165.7 15.2 56.0 34.8 95 96 A D + 0 0 78 -2,-0.3 -1,-0.1 1,-0.1 2,-0.1 0.836 69.1 176.2 44.3 49.5 13.5 57.2 38.0 96 97 A P - 0 0 44 0, 0.0 -1,-0.1 0, 0.0 -31,-0.1 -0.482 27.0-121.7 -74.1 154.2 16.6 56.6 40.3 97 98 A S - 0 0 40 2,-0.3 6,-0.1 36,-0.2 -33,-0.1 -0.357 23.3-109.7 -81.5 170.6 16.3 57.7 43.9 98 99 A G S S+ 0 0 89 1,-0.1 2,-1.0 -2,-0.1 -1,-0.1 0.785 103.3 80.5 -67.5 -30.1 18.7 60.2 45.5 99 100 A D > - 0 0 93 1,-0.2 4,-2.1 2,-0.1 -2,-0.3 -0.697 63.9-168.0 -86.4 104.5 20.3 57.4 47.5 100 101 A A H > S+ 0 0 39 -2,-1.0 4,-1.5 1,-0.2 35,-0.4 0.700 87.4 52.9 -64.4 -24.9 22.7 55.7 45.2 101 102 A Q H > S+ 0 0 74 2,-0.2 4,-2.5 33,-0.1 -1,-0.2 0.839 105.7 51.9 -78.9 -40.0 23.1 52.8 47.7 102 103 A A H > S+ 0 0 21 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.914 110.2 51.7 -57.9 -44.1 19.4 52.2 47.9 103 104 A N H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.932 110.5 47.6 -55.6 -50.6 19.4 52.1 44.1 104 105 A T H X S+ 0 0 0 -4,-1.5 4,-2.9 1,-0.2 -2,-0.2 0.904 111.1 49.8 -59.5 -48.2 22.2 49.5 44.1 105 106 A N H X S+ 0 0 70 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.897 111.1 49.7 -59.3 -42.6 20.5 47.3 46.8 106 107 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.906 112.8 47.3 -66.1 -39.9 17.3 47.3 44.8 107 108 A C H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.929 111.6 50.5 -64.1 -44.8 19.2 46.4 41.6 108 109 A L H X S+ 0 0 21 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.901 110.4 50.2 -61.3 -40.9 21.0 43.6 43.4 109 110 A R H X S+ 0 0 84 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.879 110.5 49.0 -62.8 -43.1 17.7 42.3 44.8 110 111 A F H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.948 116.1 44.1 -59.7 -48.2 16.1 42.3 41.3 111 112 A M H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 3,-0.4 0.897 109.4 54.3 -65.4 -43.1 19.1 40.5 39.9 112 113 A Q H X S+ 0 0 62 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.910 108.1 52.5 -59.2 -39.0 19.4 38.0 42.8 113 114 A M H X S+ 0 0 30 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.825 106.0 52.1 -65.1 -35.4 15.7 37.0 42.1 114 115 A I H <>S+ 0 0 0 -4,-1.3 5,-1.3 -3,-0.4 -1,-0.2 0.902 112.5 46.7 -68.8 -42.4 16.4 36.4 38.4 115 116 A A H ><5S+ 0 0 31 -4,-2.1 3,-4.1 1,-0.2 4,-0.3 0.982 107.4 54.4 -58.9 -60.1 19.3 34.1 39.4 116 117 A D H 3<5S+ 0 0 111 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.772 105.8 56.9 -45.5 -28.8 17.2 32.2 42.1 117 118 A A T 3<5S- 0 0 50 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.521 126.7-102.0 -82.3 -8.1 14.7 31.6 39.3 118 119 A G T < 5S+ 0 0 57 -3,-4.1 2,-0.3 1,-0.3 -3,-0.2 0.845 83.9 108.1 87.8 41.0 17.4 29.9 37.2 119 120 A Y S - 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