==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-MAY-06 2IU6 . COMPND 2 MOLECULE: DIHYDROXYACETONE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS; . AUTHOR A.SRINIVAS,S.CHRISTEN,U.BAUMANN,B.ERNI . 638 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23969.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 453 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.3 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 . 38 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.9 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 0 2 0 0 2 4 0 2 0 1 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 0 0 0 4 2 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 . 2 1 3 4 0 0 4 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 2 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 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 E 0 0 144 0, 0.0 3,-0.1 0, 0.0 568,-0.1 0.000 360.0 360.0 360.0 132.2 93.8 42.8 0.7 2 3 A F + 0 0 3 1,-0.1 532,-0.5 531,-0.1 2,-0.3 0.723 360.0 17.6 -74.2 -25.7 96.8 43.0 3.1 3 4 A Y - 0 0 35 530,-0.1 2,-0.4 531,-0.1 -1,-0.1 -0.978 64.3-156.3-146.5 153.6 98.0 39.4 2.3 4 5 A N - 0 0 91 -2,-0.3 4,-0.0 2,-0.1 0, 0.0 -0.965 5.0-172.8-138.6 118.2 97.4 37.0 -0.5 5 6 A S > + 0 0 12 -2,-0.4 69,-2.2 2,-0.1 3,-0.9 0.013 27.8 150.6-108.1 28.4 97.8 33.2 -0.0 6 7 A T T 3 S- 0 0 74 1,-0.2 -2,-0.1 67,-0.2 69,-0.1 -0.414 77.6 -1.4 -50.7 118.8 97.3 32.0 -3.6 7 8 A N T 3 S+ 0 0 125 67,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.223 120.4 79.2 85.6 -15.9 99.3 28.9 -4.1 8 9 A E S < S- 0 0 145 -3,-0.9 66,-0.4 64,-0.1 -1,-0.1 -0.937 86.0-100.0-127.8 150.2 100.9 28.7 -0.7 9 10 A I - 0 0 42 -2,-0.3 2,-2.2 64,-0.2 3,-0.2 -0.383 46.4-112.0 -53.8 139.5 99.9 27.6 2.8 10 11 A P > + 0 0 3 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.517 52.1 168.6 -77.7 76.1 99.0 30.8 4.8 11 12 A E H > + 0 0 26 -2,-2.2 4,-2.5 1,-0.2 5,-0.2 0.886 67.7 48.0 -67.9 -43.8 102.1 30.3 6.9 12 13 A E H > S+ 0 0 73 -3,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.907 110.5 53.1 -66.0 -39.0 102.1 33.7 8.7 13 14 A M H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.947 111.0 46.6 -57.7 -48.0 98.4 33.4 9.5 14 15 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.893 112.7 49.0 -64.2 -41.6 99.0 30.0 11.1 15 16 A K H X S+ 0 0 65 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.893 110.8 51.8 -62.5 -41.4 102.0 31.3 13.0 16 17 A G H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.896 107.6 50.6 -60.0 -44.0 99.9 34.2 14.2 17 18 A I H X S+ 0 0 1 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.934 109.7 52.9 -62.0 -44.3 97.1 32.0 15.4 18 19 A D H < S+ 0 0 53 -4,-2.2 6,-0.3 1,-0.2 3,-0.3 0.943 108.5 48.2 -54.3 -53.2 99.8 30.0 17.3 19 20 A L H < S+ 0 0 85 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.838 113.1 50.9 -54.4 -36.6 101.2 33.1 19.1 20 21 A T H < S+ 0 0 13 -4,-1.9 575,-0.3 1,-0.2 -1,-0.2 0.877 109.4 46.7 -66.9 -39.4 97.6 34.2 20.0 21 22 A Y >< - 0 0 35 -4,-1.8 3,-1.8 -3,-0.3 -1,-0.2 -0.925 59.9-160.9-126.0 108.7 96.3 31.0 21.6 22 23 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.776 93.6 55.7 -56.8 -30.3 98.4 29.0 24.2 23 24 A Q T 3 S+ 0 0 13 284,-0.1 13,-2.0 12,-0.1 14,-0.6 0.450 99.1 74.9 -89.8 0.5 96.3 25.8 23.6 24 25 A L E < -A 35 0A 1 -3,-1.8 2,-0.4 -6,-0.3 11,-0.2 -0.929 58.8-172.6-115.0 138.2 97.0 25.8 19.9 25 26 A T E -A 34 0A 35 9,-2.3 9,-2.9 -2,-0.4 2,-0.4 -0.994 9.9-151.1-128.7 137.2 100.3 24.8 18.2 26 27 A Y E -A 33 0A 9 -2,-0.4 7,-0.2 7,-0.2 -2,-0.0 -0.868 9.5-142.0-107.5 140.8 101.2 25.2 14.5 27 28 A L E > > -A 32 0A 47 5,-2.3 3,-1.7 -2,-0.4 5,-0.7 -0.880 33.0-118.9-106.8 104.7 103.6 22.9 12.7 28 29 A P T 3 5S+ 0 0 82 0, 0.0 -17,-0.0 0, 0.0 4,-0.0 0.004 88.8 7.7 -51.4 139.8 105.6 25.0 10.3 29 30 A E T 3 5S+ 0 0 164 1,-0.1 -20,-0.1 -20,-0.0 -18,-0.0 0.481 114.5 78.3 70.0 5.2 105.3 24.2 6.5 30 31 A T T < 5S- 0 0 6 -3,-1.7 3,-0.1 2,-0.2 49,-0.1 0.592 88.2-130.8-115.6 -17.2 102.5 21.6 7.0 31 32 A G T 5 + 0 0 0 -4,-0.5 40,-2.8 1,-0.2 2,-0.6 0.582 61.7 140.2 66.9 12.2 99.4 23.7 7.4 32 33 A I E < -AB 27 70A 2 -5,-0.7 -5,-2.3 38,-0.2 2,-0.5 -0.787 28.7-179.0 -91.0 118.4 98.7 21.5 10.5 33 34 A L E -AB 26 69A 0 36,-2.7 36,-2.3 -2,-0.6 2,-0.3 -0.973 13.8-175.3-112.0 129.0 97.2 23.4 13.5 34 35 A Y E -AB 25 68A 50 -9,-2.9 -9,-2.3 -2,-0.5 2,-0.8 -0.897 35.5-111.1-131.5 156.8 96.5 21.2 16.6 35 36 A D E > -A 24 0A 8 32,-2.2 3,-1.5 -2,-0.3 -11,-0.2 -0.721 26.8-165.4 -80.0 107.8 95.1 21.3 20.1 36 37 A N T 3 S+ 0 0 66 -13,-2.0 -1,-0.1 -2,-0.8 -12,-0.1 0.449 85.0 64.6 -77.8 3.1 98.2 20.9 22.2 37 38 A T T 3 S+ 0 0 61 -14,-0.6 -1,-0.3 30,-0.1 2,-0.1 0.538 71.9 117.9 -98.8 -15.0 95.9 20.1 25.2 38 39 A Y < - 0 0 42 -3,-1.5 25,-0.0 29,-0.1 29,-0.0 -0.387 45.6-167.9 -65.6 129.1 94.5 16.9 23.6 39 40 A N - 0 0 94 -2,-0.1 -1,-0.1 0, 0.0 -3,-0.0 0.382 33.1-120.5-107.4 0.6 95.5 14.0 25.8 40 41 A E S S+ 0 0 87 1,-0.1 -2,-0.1 2,-0.1 54,-0.0 0.615 81.3 115.0 73.0 13.1 94.7 11.0 23.5 41 42 A K S S+ 0 0 163 2,-0.1 2,-0.3 121,-0.0 -1,-0.1 0.647 75.0 44.6 -84.0 -15.6 92.1 9.5 25.9 42 43 A T S S- 0 0 28 124,-0.0 120,-0.1 121,-0.0 52,-0.1 -0.783 101.8 -84.0-124.3 166.5 89.3 10.1 23.5 43 44 A V - 0 0 12 122,-0.5 2,-0.3 118,-0.3 53,-0.1 -0.592 48.6-129.4 -73.1 127.6 88.8 9.5 19.7 44 45 A P - 0 0 2 0, 0.0 53,-2.5 0, 0.0 2,-0.4 -0.571 15.1-157.2 -77.5 135.5 90.2 12.5 17.7 45 46 A I E +c 97 0A 1 20,-0.5 22,-3.0 -2,-0.3 23,-0.8 -0.936 18.4 178.2-105.7 138.9 88.1 14.3 15.1 46 47 A I E +cd 98 68A 0 51,-2.3 53,-2.4 -2,-0.4 2,-0.2 -0.955 7.5 169.9-134.7 156.6 90.1 16.2 12.4 47 48 A S E + d 0 69A 0 21,-1.4 23,-1.9 -2,-0.3 2,-0.3 -0.769 0.5 165.1-144.1-163.2 89.3 18.3 9.3 48 49 A G E + d 0 70A 0 51,-0.4 53,-0.4 21,-0.3 2,-0.3 -0.948 5.1 155.3 162.5-178.1 90.8 20.6 6.7 49 50 A G E - d 0 71A 1 21,-1.8 23,-2.3 -2,-0.3 27,-0.1 -0.930 52.4 -34.4 152.3-177.2 90.4 22.3 3.3 50 51 A G E - d 0 72A 6 -2,-0.3 3,-0.4 21,-0.2 24,-0.2 -0.238 59.5-105.5 -73.0 159.0 91.7 25.4 1.5 51 52 A S E S+ d 0 74A 1 22,-1.8 24,-3.0 21,-0.7 25,-0.1 -0.330 93.2 72.2 -68.9 167.3 92.4 28.8 3.1 52 53 A G S S+ 0 0 6 22,-0.2 229,-2.7 23,-0.1 -1,-0.2 0.342 82.8 75.6 98.9 -4.0 89.8 31.5 2.4 53 54 A H S > S- 0 0 6 -3,-0.4 3,-2.0 3,-0.3 226,-1.5 0.313 77.8-172.9-116.8 6.4 87.1 30.1 4.6 54 55 A E T 3 + 0 0 9 1,-0.4 517,-0.3 224,-0.2 225,-0.2 -0.099 69.4 35.7 -52.2 140.3 88.5 31.1 8.0 55 56 A P T 3> S+ 0 0 3 0, 0.0 4,-3.0 0, 0.0 2,-1.0 -0.990 98.2 111.6 -75.0 -1.2 87.5 30.4 10.7 56 57 A A T <4 S- 0 0 4 -3,-2.0 -3,-0.3 1,-0.3 223,-0.1 -0.671 98.7 -11.5 -73.2 105.5 86.7 27.1 8.9 57 58 A H T >4 S+ 0 0 5 -2,-1.0 3,-2.2 -4,-0.1 -1,-0.3 -0.986 130.3 59.1-128.5 -2.8 88.6 25.2 10.1 58 59 A V G >4 S+ 0 0 2 1,-0.3 3,-0.9 2,-0.2 251,-0.3 0.768 105.5 57.5 -51.1 -31.2 91.3 26.8 12.3 59 60 A G G 3< S+ 0 0 0 -4,-3.0 251,-2.6 1,-0.2 252,-0.3 0.514 101.4 57.0 -79.6 -1.9 88.7 28.3 14.5 60 61 A Y G < S+ 0 0 0 -3,-2.2 6,-2.5 -5,-0.4 2,-0.5 0.113 78.6 108.5-120.3 14.0 87.2 24.9 15.3 61 62 A V B < +f 66 0B 0 -3,-0.9 248,-0.5 4,-0.2 2,-0.3 -0.853 53.3 78.9 -90.4 122.7 90.4 23.4 16.6 62 63 A G S > S- 0 0 3 4,-2.8 3,-2.7 -2,-0.5 246,-0.2 -0.892 84.9 -34.0 157.1 170.6 90.2 22.9 20.4 63 64 A S T 3 S+ 0 0 37 1,-0.3 244,-1.5 -2,-0.3 245,-0.4 -0.267 126.9 17.1 -57.4 127.3 88.9 20.7 23.3 64 65 A G T 3 S+ 0 0 8 1,-0.3 -1,-0.3 242,-0.2 98,-0.1 0.315 128.7 50.9 87.4 -9.9 85.5 19.3 22.5 65 66 A M S < S- 0 0 8 -3,-2.7 -20,-0.5 1,-0.3 -1,-0.3 -0.087 108.7 -11.0-125.4-127.3 85.9 20.0 18.8 66 67 A L B -f 61 0B 0 -6,-2.5 -4,-2.8 1,-0.2 -1,-0.3 -0.510 42.9-153.7 -80.7 144.7 88.7 19.2 16.3 67 68 A A S S- 0 0 6 -22,-3.0 -32,-2.2 1,-0.3 2,-0.3 0.621 83.4 -4.7 -85.7 -17.7 92.0 17.9 17.6 68 69 A A E -Bd 34 46A 0 -23,-0.8 -21,-1.4 -34,-0.2 2,-0.3 -0.955 58.8-154.8-166.6 153.8 93.6 19.3 14.5 69 70 A A E -Bd 33 47A 0 -36,-2.3 -36,-2.7 -2,-0.3 2,-0.5 -0.987 12.5-147.7-131.5 146.5 92.8 21.0 11.2 70 71 A V E -Bd 32 48A 0 -23,-1.9 -21,-1.8 -2,-0.3 2,-0.5 -0.957 16.6-162.2-118.1 116.4 95.0 20.9 8.1 71 72 A T E - d 0 49A 5 -40,-2.8 -21,-0.2 -2,-0.5 3,-0.1 -0.838 3.9-166.1-107.7 129.9 94.8 24.1 5.9 72 73 A G E - d 0 50A 0 -23,-2.3 -21,-0.7 -2,-0.5 3,-0.2 -0.249 38.7 -65.2 -94.0-171.2 95.9 24.3 2.3 73 74 A P E > S- 0 0 19 0, 0.0 3,-1.9 0, 0.0 -22,-1.8 -0.053 86.1 -48.1 -63.8 174.6 96.6 27.3 -0.0 74 75 A L E 3 S- d 0 51A 40 -69,-2.2 -67,-0.3 -66,-0.4 -22,-0.2 -0.289 125.9 -15.9 -49.8 120.2 93.7 29.7 -1.0 75 76 A F T 3 S+ 0 0 64 -24,-3.0 -1,-0.3 -3,-0.2 -23,-0.1 0.771 115.0 108.3 53.0 33.3 90.7 27.5 -2.1 76 77 A I S < S- 0 0 73 -3,-1.9 -25,-0.3 -25,-0.1 -4,-0.2 -0.989 70.2-121.7-138.5 126.7 93.0 24.4 -2.5 77 78 A P - 0 0 13 0, 0.0 -6,-0.1 0, 0.0 -27,-0.1 -0.217 37.7 -91.8 -69.7 162.2 92.8 21.5 -0.2 78 79 A P - 0 0 6 0, 0.0 -6,-0.1 0, 0.0 2,-0.1 -0.324 49.1 -96.6 -65.9 153.8 95.9 20.4 1.8 79 80 A K >> - 0 0 135 1,-0.1 4,-1.8 -49,-0.1 3,-1.5 -0.427 30.5-115.8 -69.4 147.8 98.2 17.8 0.2 80 81 A S H 3> S+ 0 0 15 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.824 112.6 63.4 -56.2 -37.2 97.6 14.2 1.3 81 82 A K H 3> S+ 0 0 140 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.847 107.5 42.7 -55.8 -35.3 101.1 14.0 2.8 82 83 A N H <> S+ 0 0 12 -3,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.857 111.8 53.1 -82.7 -37.3 100.1 16.7 5.3 83 84 A I H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.923 111.9 47.4 -54.4 -45.9 96.7 15.2 6.0 84 85 A L H X S+ 0 0 5 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.862 106.8 56.0 -71.6 -39.4 98.5 11.9 6.7 85 86 A K H X S+ 0 0 109 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.963 109.8 47.3 -46.2 -57.9 101.0 13.6 9.0 86 87 A A H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.910 110.8 51.2 -53.6 -46.0 98.0 14.9 11.0 87 88 A I H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.920 109.2 50.2 -60.8 -43.3 96.3 11.5 11.1 88 89 A R H < S+ 0 0 117 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.896 111.2 49.5 -64.4 -38.4 99.5 9.8 12.4 89 90 A Q H < S+ 0 0 75 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.903 113.4 42.4 -71.5 -42.3 100.0 12.4 15.2 90 91 A V H < S+ 0 0 4 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.792 96.8 103.0 -73.5 -25.1 96.4 12.3 16.6 91 92 A N < + 0 0 43 -4,-1.8 5,-0.1 -5,-0.3 -48,-0.0 -0.232 29.9 156.3 -59.7 138.4 96.4 8.5 16.3 92 93 A S S S- 0 0 40 3,-0.2 -1,-0.1 -51,-0.0 4,-0.1 0.175 74.2 -82.7-145.4 19.2 96.8 6.3 19.4 93 94 A G S S+ 0 0 69 2,-0.0 3,-0.1 30,-0.0 -2,-0.1 0.630 110.2 97.7 92.3 15.5 95.1 3.1 18.4 94 95 A K S S- 0 0 94 1,-0.4 73,-0.4 -52,-0.1 -51,-0.1 0.267 94.5-102.1-110.7 5.1 91.6 4.2 19.2 95 96 A G - 0 0 2 72,-0.1 -1,-0.4 71,-0.1 2,-0.3 -0.119 29.1-118.8 91.0 165.0 90.7 5.2 15.7 96 97 A V E - e 0 124A 0 27,-2.0 29,-2.7 -53,-0.1 2,-0.4 -0.987 15.6-149.7-144.2 135.2 90.5 8.6 14.0 97 98 A F E -ce 45 125A 0 -53,-2.5 -51,-2.3 -2,-0.3 2,-0.4 -0.893 9.3-162.9-112.0 134.0 87.6 10.4 12.4 98 99 A V E -ce 46 126A 0 27,-2.4 29,-1.9 -2,-0.4 2,-0.6 -0.938 9.2-153.2-117.0 133.0 87.9 12.8 9.5 99 100 A I E - e 0 127A 0 -53,-2.4 2,-0.4 -2,-0.4 -51,-0.4 -0.939 20.7-170.8-100.9 121.5 85.2 15.3 8.4 100 101 A I E - e 0 128A 6 27,-2.8 29,-2.7 -2,-0.6 2,-0.3 -0.952 19.8-131.6-116.9 131.2 85.7 16.1 4.6 101 102 A K E - e 0 129A 2 -2,-0.4 2,-2.2 -53,-0.4 29,-0.1 -0.608 35.1-107.0 -77.2 141.0 83.8 18.8 2.7 102 103 A N S S+ 0 0 39 27,-2.1 2,-0.4 -2,-0.3 -1,-0.1 -0.410 71.7 126.2 -77.8 73.6 82.4 17.5 -0.6 103 104 A F > - 0 0 19 -2,-2.2 4,-2.4 42,-0.1 5,-0.2 -0.975 65.1-123.8-122.7 144.4 84.7 19.0 -3.2 104 105 A E H > S+ 0 0 168 -2,-0.4 4,-2.1 1,-0.2 5,-0.1 0.884 110.5 46.7 -52.2 -45.5 86.4 16.9 -5.9 105 106 A A H > S+ 0 0 48 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.914 112.4 48.4 -67.4 -44.3 89.9 18.1 -4.9 106 107 A D H > S+ 0 0 12 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.885 111.4 51.9 -60.8 -40.2 89.4 17.6 -1.1 107 108 A L H X S+ 0 0 55 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.909 108.9 49.6 -67.4 -41.6 88.0 14.1 -1.8 108 109 A K H X S+ 0 0 132 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.947 115.7 43.1 -59.9 -47.6 91.1 13.2 -3.9 109 110 A E H X S+ 0 0 36 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.949 116.9 43.9 -69.5 -49.7 93.5 14.4 -1.2 110 111 A F H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.875 112.3 54.3 -60.5 -38.7 91.8 13.0 1.8 111 112 A N H X S+ 0 0 98 -4,-2.3 4,-2.4 -5,-0.3 5,-0.3 0.925 106.6 51.5 -61.5 -45.5 91.1 9.7 0.1 112 113 A E H X S+ 0 0 85 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.918 115.8 40.9 -56.9 -45.1 94.8 9.3 -0.7 113 114 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.842 113.5 52.8 -76.1 -35.5 95.8 9.9 2.9 114 115 A I H X S+ 0 0 10 -4,-2.6 4,-2.0 2,-0.2 10,-0.2 0.925 111.0 45.0 -67.5 -47.3 93.0 7.8 4.5 115 116 A K H X S+ 0 0 91 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.885 113.5 51.6 -65.6 -38.2 93.7 4.7 2.5 116 117 A E H < S+ 0 0 82 -4,-1.5 4,-0.5 -5,-0.3 -2,-0.2 0.900 110.8 47.5 -58.6 -43.3 97.5 5.1 3.2 117 118 A A H ><>S+ 0 0 0 -4,-2.0 5,-2.0 1,-0.2 3,-0.8 0.870 108.3 56.9 -67.9 -34.2 96.8 5.4 6.9 118 119 A R H ><5S+ 0 0 116 -4,-2.0 3,-1.1 1,-0.3 -1,-0.2 0.811 103.1 52.1 -67.7 -32.3 94.5 2.4 6.8 119 120 A T T 3<5S+ 0 0 116 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.562 103.0 60.7 -84.3 -8.1 97.3 0.2 5.3 120 121 A E T < 5S- 0 0 87 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.248 126.7 -99.6 -93.6 7.3 99.5 1.4 8.2 121 122 A G T < 5S+ 0 0 71 -3,-1.1 2,-0.4 1,-0.3 -3,-0.2 0.475 77.7 138.9 89.5 3.1 97.0 -0.1 10.7 122 123 A I < - 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