==== 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 2IU4 . COMPND 2 MOLECULE: DIHYDROXYACETONE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS; . AUTHOR A.SRINIVAS,S.CHRISTEN,U.BAUMANN,B.ERNI . 656 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24521.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 468 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 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 . 43 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 2 0 2 0 0 2 4 0 2 0 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 1 1 0 2 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 PARALLEL BRIDGES PER LADDER . 0 4 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 8 A N 0 0 175 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 13.5 -25.0 28.0 14.7 2 9 A E - 0 0 164 64,-0.1 66,-0.5 0, 0.0 64,-0.0 -0.940 360.0-111.6-120.6 139.5 -27.3 30.2 12.6 3 10 A I - 0 0 39 -2,-0.4 2,-2.6 64,-0.2 3,-0.2 -0.458 45.4-107.2 -55.3 137.5 -31.1 30.6 12.6 4 11 A P > + 0 0 18 0, 0.0 4,-2.3 0, 0.0 3,-0.3 -0.414 55.0 167.4 -73.6 71.0 -32.2 29.2 9.2 5 12 A E H > + 0 0 39 -2,-2.6 4,-2.9 1,-0.3 5,-0.2 0.876 68.9 50.5 -58.7 -47.4 -32.9 32.7 8.0 6 13 A E H > S+ 0 0 82 -3,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.884 110.5 49.4 -60.9 -38.9 -33.3 31.8 4.3 7 14 A M H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.939 113.6 46.4 -67.5 -42.1 -35.7 28.9 5.0 8 15 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.886 112.3 49.4 -70.5 -39.5 -37.8 31.2 7.2 9 16 A K H X S+ 0 0 58 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.866 110.8 52.1 -61.2 -36.2 -37.8 34.0 4.6 10 17 A G H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.887 107.7 50.6 -68.4 -42.2 -38.8 31.4 2.0 11 18 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 3,-0.2 0.944 110.0 51.0 -55.0 -49.0 -41.7 30.2 4.1 12 19 A D H < S+ 0 0 52 -4,-2.2 6,-0.2 1,-0.2 -2,-0.2 0.917 110.2 49.3 -57.5 -44.2 -42.8 33.8 4.4 13 20 A L H < S+ 0 0 69 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.842 113.4 47.6 -62.3 -33.6 -42.6 34.3 0.7 14 21 A T H < S+ 0 0 14 -4,-1.7 600,-0.4 -3,-0.2 -1,-0.2 0.856 109.4 50.6 -78.9 -36.7 -44.6 31.2 0.1 15 22 A Y >< - 0 0 20 -4,-2.1 3,-1.5 1,-0.1 -1,-0.2 -0.912 60.0-160.6-116.5 115.7 -47.5 31.7 2.5 16 23 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 14,-0.0 0.783 93.2 56.4 -64.3 -25.5 -49.5 34.9 2.6 17 24 A Q T 3 S+ 0 0 45 300,-0.1 13,-2.4 12,-0.1 14,-0.6 0.504 98.6 73.5 -85.5 -5.3 -50.8 34.2 6.1 18 25 A L E < -A 29 0A 1 -3,-1.5 2,-0.4 -6,-0.2 11,-0.2 -0.890 58.6-170.1-114.6 140.7 -47.3 33.8 7.6 19 26 A T E -A 28 0A 34 9,-2.4 9,-2.9 -2,-0.4 2,-0.5 -0.994 9.8-150.7-130.8 138.2 -44.8 36.6 8.3 20 27 A Y E -A 27 0A 6 -2,-0.4 7,-0.2 7,-0.2 -2,-0.0 -0.890 9.9-142.2-107.0 132.8 -41.2 36.1 9.3 21 28 A L E > > -A 26 0A 39 5,-2.5 3,-1.7 -2,-0.5 5,-0.6 -0.851 35.1-115.2 -93.3 106.7 -39.4 38.7 11.6 22 29 A P T 3 5S+ 0 0 77 0, 0.0 -1,-0.0 0, 0.0 4,-0.0 -0.009 88.8 4.0 -47.5 138.1 -35.9 38.9 10.2 23 30 A E T 3 5S+ 0 0 163 1,-0.1 -20,-0.1 -20,-0.1 -18,-0.0 0.502 113.0 83.0 69.6 10.3 -33.0 37.7 12.4 24 31 A T T < 5S- 0 0 16 -3,-1.7 3,-0.1 2,-0.2 -1,-0.1 0.568 87.9-129.1-116.6 -14.7 -35.3 36.5 15.3 25 32 A G T 5 + 0 0 0 -4,-0.5 40,-2.5 1,-0.2 2,-0.6 0.506 64.2 137.2 73.9 1.9 -36.4 33.0 14.2 26 33 A I E < +AB 21 64A 0 -5,-0.6 -5,-2.5 38,-0.2 2,-0.5 -0.746 30.0 179.9 -91.4 120.4 -40.0 34.1 14.9 27 34 A L E -AB 20 63A 0 36,-2.8 36,-2.5 -2,-0.6 2,-0.3 -0.969 14.2-175.3-113.2 130.5 -42.6 33.1 12.3 28 35 A Y E -AB 19 62A 51 -9,-2.9 -9,-2.4 -2,-0.5 2,-0.9 -0.896 35.8-109.3-131.5 159.4 -46.1 34.2 13.1 29 36 A D E > -A 18 0A 6 32,-2.5 3,-1.3 -2,-0.3 -11,-0.2 -0.754 29.0-163.6 -79.7 108.8 -49.7 33.9 11.8 30 37 A N T 3 S+ 0 0 63 -13,-2.4 -1,-0.2 -2,-0.9 -12,-0.1 0.490 84.7 63.5 -79.2 -1.7 -50.2 37.4 10.5 31 38 A T T 3 S+ 0 0 72 -14,-0.6 2,-0.3 30,-0.1 -1,-0.3 0.519 74.8 113.5 -92.2 -5.1 -54.0 36.9 10.5 32 39 A Y < - 0 0 44 -3,-1.3 25,-0.0 29,-0.2 29,-0.0 -0.482 43.9-175.0 -71.5 127.6 -54.1 36.4 14.3 33 40 A N - 0 0 119 -2,-0.3 -1,-0.1 51,-0.0 -3,-0.0 0.165 42.3-110.2-115.2 23.2 -56.0 39.3 15.8 34 41 A E S S+ 0 0 77 1,-0.1 -2,-0.1 2,-0.1 54,-0.0 0.710 84.3 118.1 62.6 23.7 -55.6 38.8 19.6 35 42 A K S S+ 0 0 162 2,-0.1 2,-0.3 53,-0.0 -1,-0.1 0.697 74.9 39.1 -89.9 -23.1 -59.3 37.8 20.1 36 43 A T S S- 0 0 31 124,-0.0 120,-0.1 121,-0.0 52,-0.1 -0.805 103.7 -82.3-121.0 166.5 -58.4 34.4 21.3 37 44 A V - 0 0 10 122,-0.5 2,-0.3 118,-0.4 53,-0.1 -0.510 49.0-128.5 -67.6 127.4 -55.7 33.0 23.6 38 45 A P - 0 0 2 0, 0.0 53,-2.6 0, 0.0 2,-0.5 -0.569 15.6-157.3 -82.3 142.9 -52.4 32.5 21.6 39 46 A I E -c 91 0A 3 20,-0.4 22,-3.1 -2,-0.3 23,-0.8 -0.961 17.6-179.8-113.6 133.7 -50.6 29.2 21.7 40 47 A I E +cd 92 62A 0 51,-2.9 53,-2.8 -2,-0.5 2,-0.3 -0.891 9.2 165.0-130.2 162.5 -46.8 29.3 20.8 41 48 A S E + d 0 63A 0 21,-1.3 23,-1.7 -2,-0.3 2,-0.3 -0.869 3.2 161.3-155.1-172.1 -44.0 26.8 20.5 42 49 A G E + d 0 64A 0 51,-0.5 53,-0.4 -2,-0.3 2,-0.3 -0.975 3.4 153.8 166.0-174.4 -40.6 26.5 19.1 43 50 A G E - d 0 65A 0 21,-2.3 23,-2.5 -2,-0.3 27,-0.1 -0.977 52.4 -21.4 153.9-170.9 -37.3 24.7 19.2 44 51 A G E - 0 0 2 -2,-0.3 3,-0.3 21,-0.2 24,-0.2 -0.224 61.3-112.4 -66.7 159.9 -34.3 23.9 17.0 45 52 A S E S+ d 0 68A 0 22,-1.7 24,-2.8 21,-0.4 25,-0.1 -0.423 90.7 69.5 -74.4 162.5 -34.4 24.0 13.2 46 53 A G S S+ 0 0 1 22,-0.2 245,-3.2 -2,-0.1 -1,-0.2 0.438 78.6 82.4 104.1 1.9 -34.0 20.6 11.5 47 54 A H S > S- 0 0 0 3,-0.4 3,-2.1 -3,-0.3 242,-2.0 0.267 75.8-170.9-116.2 6.2 -37.4 19.1 12.4 48 55 A E T 3 S+ 0 0 9 1,-0.4 542,-0.3 240,-0.2 543,-0.1 -0.112 70.3 35.8 -46.2 134.9 -39.5 20.9 9.7 49 56 A P T 3> S+ 0 0 6 0, 0.0 4,-3.2 0, 0.0 2,-0.6 -0.986 101.1 109.0 -80.0 -1.9 -42.4 21.0 9.4 50 57 A A T <4 S- 0 0 1 -3,-2.1 -3,-0.4 1,-0.3 239,-0.1 -0.692 96.5 -10.6 -69.6 120.9 -42.2 21.1 13.2 51 58 A H T >4 S+ 0 0 3 -2,-0.6 3,-1.9 -4,-0.1 -1,-0.3 -0.989 130.5 56.7-118.7 -1.3 -42.9 23.8 14.2 52 59 A V G >4 S+ 0 0 1 1,-0.3 3,-0.9 2,-0.2 267,-0.3 0.753 105.9 56.7 -61.3 -29.6 -43.2 26.3 11.3 53 60 A G G 3< S+ 0 0 0 -4,-3.2 267,-2.4 1,-0.2 268,-0.4 0.459 101.5 58.7 -83.4 -1.7 -45.7 24.2 9.5 54 61 A Y G < S+ 0 0 0 -3,-1.9 6,-2.6 -5,-0.4 2,-0.5 0.248 80.0 105.1-110.7 11.2 -47.9 24.4 12.6 55 62 A V B < +f 60 0B 0 -3,-0.9 264,-0.5 4,-0.2 2,-0.3 -0.808 53.1 82.8 -89.4 123.5 -48.2 28.2 12.7 56 63 A G S > S- 0 0 1 4,-2.6 3,-2.5 -2,-0.5 262,-0.2 -0.918 84.3 -38.0 161.8 176.9 -51.6 29.4 11.5 57 64 A S T 3 S+ 0 0 35 1,-0.3 260,-1.9 -2,-0.3 261,-0.4 -0.347 126.9 16.8 -64.4 130.3 -55.2 30.2 12.4 58 65 A G T 3 S+ 0 0 6 1,-0.3 -1,-0.3 258,-0.2 98,-0.2 0.376 128.2 50.6 88.1 -6.3 -56.4 27.5 14.7 59 66 A M S < S- 0 0 7 -3,-2.5 -20,-0.4 1,-0.3 -1,-0.3 -0.180 110.0 -8.5-128.4-129.1 -53.0 26.2 15.6 60 67 A L B -f 55 0B 0 -6,-2.6 -4,-2.6 1,-0.2 -1,-0.3 -0.484 45.9-155.0 -74.0 137.8 -49.9 28.1 16.8 61 68 A A S S- 0 0 6 -22,-3.1 -32,-2.5 1,-0.3 2,-0.3 0.753 81.7 -4.2 -76.2 -25.7 -50.0 31.8 16.7 62 69 A A E -Bd 28 40A 1 -23,-0.8 -21,-1.3 -34,-0.2 2,-0.3 -0.975 60.1-156.4-159.3 153.5 -46.2 31.9 16.4 63 70 A A E -Bd 27 41A 0 -36,-2.5 -36,-2.8 -2,-0.3 2,-0.5 -0.987 10.7-149.0-133.9 147.0 -43.3 29.6 16.5 64 71 A V E -Bd 26 42A 0 -23,-1.7 -21,-2.3 -2,-0.3 2,-0.4 -0.965 15.4-164.8-122.6 118.6 -39.7 30.5 17.4 65 72 A T E - d 0 43A 3 -40,-2.5 -21,-0.2 -2,-0.5 8,-0.1 -0.858 3.1-167.6-113.8 133.9 -37.0 28.5 15.6 66 73 A G E - 0 0 0 -23,-2.5 -21,-0.4 -2,-0.4 3,-0.2 -0.271 41.1 -57.2-101.8-166.9 -33.3 28.3 16.6 67 74 A P E > S- 0 0 18 0, 0.0 3,-2.5 0, 0.0 -22,-1.7 -0.096 86.7 -51.8 -62.7 174.0 -30.2 27.0 14.8 68 75 A L E 3 S- d 0 45A 61 -66,-0.5 -22,-0.2 1,-0.3 -24,-0.1 -0.266 125.8 -14.6 -52.3 120.2 -30.0 23.4 13.6 69 76 A F T 3 S+ 0 0 34 -24,-2.8 -1,-0.3 -3,-0.2 -25,-0.1 0.665 115.5 106.3 60.1 20.2 -30.9 21.3 16.6 70 77 A I S < S- 0 0 76 -3,-2.5 -25,-0.3 -27,-0.1 -4,-0.2 -0.998 71.4-121.3-129.6 130.5 -30.5 24.2 19.1 71 78 A P - 0 0 11 0, 0.0 -27,-0.1 0, 0.0 -6,-0.1 -0.210 39.3 -89.0 -70.6 163.7 -33.5 25.9 20.7 72 79 A P - 0 0 3 0, 0.0 -6,-0.2 0, 0.0 2,-0.1 -0.299 48.6 -95.4 -67.5 153.1 -34.1 29.6 20.2 73 80 A K >> - 0 0 135 -8,-0.1 4,-1.8 1,-0.1 3,-1.1 -0.411 31.7-116.5 -65.2 147.5 -32.6 32.1 22.6 74 81 A S H 3> S+ 0 0 10 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.847 112.8 63.5 -53.7 -39.2 -34.9 33.2 25.4 75 82 A K H 3> S+ 0 0 138 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.861 106.7 43.9 -57.3 -33.5 -34.8 36.8 24.2 76 83 A N H <> S+ 0 0 16 -3,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.868 112.3 51.0 -79.1 -36.4 -36.5 35.7 20.9 77 84 A I H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.911 111.7 49.4 -58.4 -44.0 -39.0 33.5 22.8 78 85 A L H X S+ 0 0 6 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.901 108.2 52.9 -63.9 -44.9 -39.7 36.6 25.0 79 86 A K H X S+ 0 0 97 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.915 110.1 48.1 -55.8 -45.1 -40.2 38.7 21.9 80 87 A A H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.912 110.6 51.0 -65.9 -40.4 -42.7 36.3 20.5 81 88 A I H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.920 111.7 47.3 -60.5 -45.4 -44.6 36.1 23.8 82 89 A R H < S+ 0 0 120 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.883 110.2 53.5 -65.5 -39.6 -44.9 39.9 24.1 83 90 A Q H < S+ 0 0 67 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.909 114.4 38.2 -62.7 -42.5 -46.0 40.2 20.5 84 91 A V H < S+ 0 0 4 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.662 95.4 107.4 -85.3 -15.5 -48.9 37.7 20.7 85 92 A N < + 0 0 39 -4,-1.4 5,-0.1 -5,-0.2 -48,-0.0 -0.392 28.2 158.5 -66.5 134.7 -49.9 38.9 24.2 86 93 A S S S- 0 0 43 3,-0.3 -1,-0.1 -2,-0.1 4,-0.1 0.175 72.9 -85.1-136.3 16.6 -53.0 41.0 24.7 87 94 A G S S+ 0 0 69 2,-0.1 3,-0.1 30,-0.0 -2,-0.1 0.571 108.4 98.7 93.6 9.1 -53.7 40.3 28.3 88 95 A K S S- 0 0 82 1,-0.4 73,-0.5 -52,-0.1 2,-0.1 0.307 95.7 -90.2-104.9 5.3 -55.7 37.1 27.9 89 96 A G - 0 0 1 71,-0.1 -1,-0.4 72,-0.1 2,-0.4 -0.149 31.2-121.1 104.5 155.2 -52.8 34.7 28.7 90 97 A V E - e 0 118A 0 27,-2.4 29,-2.6 -53,-0.1 2,-0.5 -0.995 19.1-151.5-132.5 135.2 -50.1 33.1 26.4 91 98 A F E -ce 39 119A 0 -53,-2.6 -51,-2.9 -2,-0.4 2,-0.4 -0.920 10.2-164.2-108.1 130.7 -49.8 29.4 26.3 92 99 A V E -ce 40 120A 0 27,-2.3 29,-1.9 -2,-0.5 2,-0.6 -0.957 8.4-155.4-117.9 128.7 -46.4 27.9 25.5 93 100 A I E - e 0 121A 0 -53,-2.8 -51,-0.5 -2,-0.4 2,-0.4 -0.920 18.2-173.8-101.9 122.8 -45.7 24.2 24.4 94 101 A I E - e 0 122A 0 27,-2.6 29,-3.2 -2,-0.6 2,-0.3 -0.945 21.2-131.8-118.3 135.3 -42.2 23.1 25.2 95 102 A K E - e 0 123A 1 -2,-0.4 2,-2.2 -53,-0.4 29,-0.2 -0.647 36.6-104.8 -80.8 143.0 -40.6 19.8 24.2 96 103 A N S S+ 0 0 25 27,-2.2 2,-0.4 -2,-0.3 44,-0.2 -0.444 73.8 126.5 -74.6 78.8 -38.8 18.0 27.1 97 104 A F > - 0 0 20 -2,-2.2 4,-2.9 42,-0.1 5,-0.2 -0.990 63.4-129.4-131.4 142.5 -35.2 18.7 26.3 98 105 A E H > S+ 0 0 148 -2,-0.4 4,-2.2 1,-0.2 5,-0.1 0.880 109.6 50.2 -59.9 -40.8 -32.8 20.3 28.8 99 106 A A H > S+ 0 0 46 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.898 112.8 45.8 -64.1 -42.2 -31.7 22.9 26.3 100 107 A D H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.899 111.2 52.1 -67.6 -45.7 -35.3 23.9 25.4 101 108 A L H X S+ 0 0 27 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.903 107.1 54.1 -59.1 -42.2 -36.4 24.0 29.0 102 109 A K H X S+ 0 0 127 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.921 114.7 38.2 -59.0 -45.7 -33.6 26.3 29.8 103 110 A E H X S+ 0 0 40 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.915 120.2 44.8 -75.2 -42.9 -34.4 28.9 27.1 104 111 A F H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.911 111.6 53.1 -68.3 -43.1 -38.2 28.7 27.5 105 112 A N H X S+ 0 0 50 -4,-2.8 4,-2.6 -5,-0.3 5,-0.2 0.889 108.7 50.4 -56.3 -42.5 -38.1 28.8 31.3 106 113 A E H X S+ 0 0 78 -4,-1.4 4,-2.1 -5,-0.3 -1,-0.2 0.934 114.4 43.3 -65.1 -43.8 -36.0 31.9 31.2 107 114 A A H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.895 113.2 51.9 -68.5 -40.6 -38.4 33.6 28.8 108 115 A I H X S+ 0 0 3 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.942 111.5 47.3 -61.0 -46.5 -41.5 32.4 30.6 109 116 A K H X S+ 0 0 137 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.933 113.8 46.6 -60.0 -46.4 -40.2 33.8 33.9 110 117 A E H X S+ 0 0 80 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.934 111.2 52.2 -64.1 -45.6 -39.2 37.1 32.5 111 118 A A H ><>S+ 0 0 0 -4,-2.8 5,-2.1 1,-0.2 3,-0.6 0.919 110.1 49.4 -54.3 -48.6 -42.6 37.4 30.7 112 119 A R H ><5S+ 0 0 115 -4,-2.5 3,-2.1 1,-0.2 -1,-0.2 0.896 105.1 55.4 -59.0 -43.5 -44.4 36.8 34.0 113 120 A T H 3<5S+ 0 0 119 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.777 104.7 57.4 -63.0 -22.3 -42.4 39.3 35.9 114 121 A E T <<5S- 0 0 82 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.413 127.7 -99.3 -85.2 -2.8 -43.6 41.8 33.2 115 122 A G T < 5S+ 0 0 68 -3,-2.1 2,-0.5 1,-0.3 -3,-0.2 0.498 78.4 136.5 101.4 4.6 -47.2 41.0 34.0 116 123 A I < - 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