==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-FEB-08 3C8H . COMPND 2 MOLECULE: ENTEROCHELIN ESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI 2A STR. 2457T; . AUTHOR Y.KIM,N.MALTSEVA,R.ABERGEL,D.HOLZLE,K.RAYMOND,A.JOACHIMIAK, . 1532 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64216.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1069 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 116 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 206 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 4 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 . 153 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 162 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 337 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 2.0 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 5 2 8 3 7 0 4 4 4 0 3 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 4 9 3 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 . 8 4 4 8 4 5 3 2 2 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 1 5 0 3 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 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 6 A V 0 0 109 0, 0.0 3,-0.1 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 112.5 48.4 30.5 7.9 2 7 A G + 0 0 13 1,-0.4 63,-0.1 62,-0.1 5,-0.1 0.061 360.0 128.1 96.5 -23.2 45.5 31.2 10.3 3 8 A S S > S- 0 0 56 1,-0.1 4,-1.8 3,-0.0 -1,-0.4 -0.155 76.4-108.8 -62.3 158.3 44.1 33.4 7.6 4 9 A E H > S+ 0 0 102 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.842 121.4 48.5 -62.3 -34.9 40.4 32.9 6.5 5 10 A S H > S+ 0 0 83 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.780 107.4 55.9 -75.4 -28.5 41.5 31.4 3.2 6 11 A W H 4 S+ 0 0 50 -3,-0.3 -2,-0.2 1,-0.2 3,-0.2 0.869 111.9 44.5 -66.0 -36.6 43.9 29.1 5.0 7 12 A W H >< S+ 0 0 6 -4,-1.8 3,-1.6 1,-0.2 -2,-0.2 0.815 103.2 62.2 -78.8 -35.0 40.9 27.9 7.1 8 13 A Q H 3< S+ 0 0 116 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.750 99.9 57.1 -62.8 -23.8 38.5 27.5 4.1 9 14 A S T 3< S+ 0 0 69 -4,-0.8 2,-0.6 -3,-0.2 -1,-0.3 0.490 94.2 82.6 -82.1 -8.4 41.0 24.9 2.7 10 15 A K < + 0 0 21 -3,-1.6 4,-0.0 1,-0.1 -1,-0.0 -0.893 43.0 159.5-104.5 116.9 40.6 22.9 5.9 11 16 A H - 0 0 132 -2,-0.6 -1,-0.1 1,-0.4 -3,-0.1 -0.065 65.0 -48.4-128.4 37.9 37.6 20.6 6.3 12 17 A G S S- 0 0 10 107,-0.1 -1,-0.4 108,-0.1 107,-0.1 -0.729 92.0 -16.5 128.2 179.8 38.7 18.1 9.0 13 18 A P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 14,-0.2 -0.235 58.0-148.6 -54.1 140.6 41.6 15.9 10.0 14 19 A E E -A 26 0A 86 12,-2.1 12,-2.6 2,-0.0 2,-0.3 -0.817 16.1-174.0-109.6 152.4 44.1 15.1 7.3 15 20 A W E -A 25 0A 105 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.992 14.8-173.1-143.6 158.1 46.1 11.9 7.0 16 21 A Q E -A 24 0A 154 8,-1.8 8,-2.1 -2,-0.3 2,-0.1 -0.961 35.8-105.1-150.1 137.5 48.9 10.3 5.0 17 22 A R E +A 23 0A 113 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.348 32.4 174.7 -67.8 128.2 50.2 6.7 5.1 18 23 A L S S+ 0 0 67 4,-1.8 5,-0.2 -2,-0.1 -1,-0.2 0.878 74.4 9.7 -94.0 -59.6 53.5 6.2 6.9 19 24 A N S S- 0 0 92 3,-0.8 3,-0.0 1,-0.0 0, 0.0 -0.289 86.1-103.5 -89.4-171.1 53.7 2.4 6.7 20 25 A D S S+ 0 0 107 -2,-0.1 3,-0.1 1,-0.1 -3,-0.0 0.499 128.0 36.7 -76.1 -11.1 51.4 0.0 4.8 21 26 A E S S+ 0 0 130 1,-0.1 54,-0.3 53,-0.1 2,-0.3 0.116 113.8 56.8-136.3 16.4 50.0 -0.5 8.3 22 27 A X - 0 0 43 52,-0.2 -4,-1.8 53,-0.1 -3,-0.8 -0.992 57.4-158.0-147.4 149.4 50.1 2.9 10.0 23 28 A F E -AB 17 73A 7 50,-1.7 50,-1.8 -2,-0.3 2,-0.5 -0.968 14.5-137.6-124.1 143.8 48.8 6.4 9.2 24 29 A E E -AB 16 72A 78 -8,-2.1 -8,-1.8 -2,-0.4 2,-0.4 -0.893 27.5-168.6 -93.1 125.1 49.8 9.8 10.4 25 30 A V E -AB 15 71A 0 46,-1.9 46,-3.0 -2,-0.5 2,-0.4 -0.945 8.9-165.2-121.1 135.6 46.8 12.0 11.3 26 31 A T E -AB 14 70A 21 -12,-2.6 -12,-2.1 -2,-0.4 2,-0.3 -0.971 5.8-158.1-121.4 132.5 46.7 15.7 12.0 27 32 A F E - B 0 69A 0 42,-3.1 42,-1.5 -2,-0.4 2,-0.3 -0.801 5.0-159.0-106.6 147.1 43.8 17.6 13.6 28 33 A W E + B 0 68A 22 -2,-0.3 2,-0.3 40,-0.2 40,-0.2 -0.929 10.0 179.7-123.8 152.8 43.0 21.2 13.3 29 34 A W E - B 0 67A 12 38,-2.1 38,-3.0 -2,-0.3 2,-0.7 -0.926 18.5-145.2-150.4 126.4 40.9 23.5 15.4 30 35 A R E - B 0 66A 84 -2,-0.3 36,-0.2 36,-0.2 -2,-0.0 -0.822 21.0-132.7 -94.1 115.6 40.3 27.2 14.9 31 36 A D > - 0 0 2 34,-4.0 3,-1.3 -2,-0.7 8,-0.0 -0.518 8.3-156.6 -68.2 121.3 40.1 29.2 18.2 32 37 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.515 91.5 61.0 -77.2 -5.3 37.0 31.5 18.0 33 38 A Q T 3 S- 0 0 84 1,-0.3 2,-0.2 32,-0.1 5,-0.2 0.212 105.8-130.7-105.4 13.3 38.6 33.8 20.7 34 39 A G < - 0 0 27 -3,-1.3 -1,-0.3 4,-0.1 -3,-0.1 -0.483 52.0 -8.8 86.7-145.5 41.6 34.6 18.5 35 40 A S S >> S- 0 0 27 -2,-0.2 4,-2.3 28,-0.1 3,-1.8 -0.249 84.1 -82.8 -86.4 179.7 45.3 34.4 19.4 36 41 A E T 34 S+ 0 0 84 1,-0.3 -1,-0.1 28,-0.3 -2,-0.1 0.627 122.1 68.3 -64.6 -13.5 46.7 33.9 22.9 37 42 A E T 34 S+ 0 0 149 1,-0.1 -1,-0.3 3,-0.0 -3,-0.1 0.827 118.4 16.2 -72.9 -33.6 46.3 37.6 23.7 38 43 A Y T <4 S+ 0 0 178 -3,-1.8 2,-0.2 -5,-0.2 -2,-0.2 0.645 101.4 106.0-113.8 -18.6 42.5 37.5 23.8 39 44 A S < - 0 0 7 -4,-2.3 -5,-0.1 1,-0.1 -8,-0.0 -0.457 52.3-157.7 -79.6 131.3 41.7 33.7 24.1 40 45 A T + 0 0 67 -2,-0.2 2,-0.6 2,-0.0 -1,-0.1 0.606 67.3 105.4 -70.6 -13.4 40.4 32.2 27.3 41 46 A I + 0 0 11 1,-0.2 46,-0.3 44,-0.0 -2,-0.1 -0.643 31.9 159.8 -89.4 112.7 41.7 28.8 25.9 42 47 A K + 0 0 79 44,-1.7 2,-0.3 -2,-0.6 45,-0.2 0.785 69.3 23.7 -96.0 -39.1 44.9 27.3 27.4 43 48 A R E -D 86 0B 69 43,-1.7 43,-2.3 45,-0.1 2,-0.3 -0.919 53.2-164.3-124.3 157.7 44.5 23.6 26.4 44 49 A V E -D 85 0B 0 14,-0.3 14,-2.4 -2,-0.3 2,-0.2 -0.814 18.8-159.3-136.9 100.0 42.6 21.7 23.7 45 50 A W E -DE 84 57B 6 39,-1.5 39,-1.8 -2,-0.3 2,-0.6 -0.530 8.7-144.5 -79.6 142.0 42.4 18.0 24.5 46 51 A V E -D 83 0B 5 10,-1.1 2,-0.8 37,-0.2 10,-0.3 -0.953 14.6-166.0-106.2 113.9 41.7 15.4 21.8 47 52 A Y E -D 82 0B 42 35,-2.3 35,-1.0 -2,-0.6 2,-0.4 -0.840 5.7-173.7-107.2 96.0 39.5 12.7 23.2 48 53 A I E > -D 81 0B 2 -2,-0.8 4,-1.1 33,-0.2 3,-0.4 -0.762 27.7-119.4 -89.9 129.0 39.5 9.7 20.8 49 54 A T T 4 S+ 0 0 33 31,-3.3 313,-0.1 -2,-0.4 31,-0.1 -0.552 98.3 10.5 -70.4 126.6 37.1 6.8 21.7 50 55 A G T 4 S+ 0 0 44 -2,-0.3 -1,-0.2 2,-0.1 29,-0.0 -0.218 131.0 56.1 101.4 -36.6 39.0 3.6 22.3 51 56 A V T 4 0 0 69 -3,-0.4 -2,-0.2 1,-0.1 28,-0.0 0.427 360.0 360.0-105.9 -8.6 42.4 5.4 22.2 52 57 A T < 0 0 57 -4,-1.1 -2,-0.1 3,-0.0 -1,-0.1 -0.645 360.0 360.0-110.2 360.0 42.5 8.2 24.9 53 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 54 64 A Q 0 0 116 0, 0.0 2,-0.2 0, 0.0 42,-0.0 0.000 360.0 360.0 360.0 138.9 48.4 9.5 28.6 55 65 A P - 0 0 9 0, 0.0 2,-0.4 0, 0.0 -8,-0.1 -0.495 360.0-172.8 -89.8 142.1 46.7 12.7 27.5 56 66 A Q - 0 0 105 -10,-0.3 -10,-1.1 -2,-0.2 2,-0.1 -0.983 11.9-147.0-122.2 137.3 47.9 15.4 25.2 57 67 A S B -E 45 0B 18 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.1 -0.388 33.4 -96.0 -78.9 170.6 46.4 18.8 24.3 58 68 A X - 0 0 2 -14,-2.4 2,-0.5 -2,-0.1 -14,-0.3 -0.312 38.7-114.6 -78.3 173.5 46.7 20.4 20.9 59 69 A Q E -C 68 0A 57 9,-3.1 9,-1.6 -16,-0.1 2,-0.5 -0.952 15.6-135.1-121.9 127.0 49.4 23.1 20.3 60 70 A R E -C 67 0A 22 -2,-0.5 2,-0.6 7,-0.2 7,-0.2 -0.664 12.4-137.6 -78.1 124.0 48.8 26.7 19.4 61 71 A I > - 0 0 34 5,-2.2 3,-1.2 -2,-0.5 5,-0.3 -0.769 43.3-111.9 -70.6 120.2 50.9 28.2 16.6 62 72 A A T 3 S+ 0 0 80 -2,-0.6 3,-0.1 1,-0.2 -1,-0.1 -0.362 96.4 24.9 -69.1 135.2 51.7 31.5 18.4 63 73 A G T 3 S+ 0 0 51 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.563 113.6 75.7 88.4 10.6 50.1 34.6 17.0 64 74 A T S < S- 0 0 28 -3,-1.2 -1,-0.3 2,-0.1 -28,-0.3 -0.882 83.1-118.2-142.7 174.7 47.2 32.8 15.4 65 75 A D S S+ 0 0 24 -2,-0.3 -34,-4.0 -63,-0.1 2,-0.7 0.297 75.7 118.7 -95.9 7.5 43.9 31.0 16.2 66 76 A V E -B 30 0A 0 -5,-0.3 -5,-2.2 -36,-0.2 2,-0.4 -0.684 39.5-177.7 -87.7 111.8 45.2 27.7 14.9 67 77 A W E -BC 29 60A 10 -38,-3.0 -38,-2.1 -2,-0.7 2,-0.3 -0.860 14.3-178.6 -99.6 144.6 45.5 24.8 17.3 68 78 A Q E -BC 28 59A 27 -9,-1.6 -9,-3.1 -2,-0.4 2,-0.3 -0.951 14.3-179.2-145.2 153.3 47.0 21.6 15.8 69 79 A W E -B 27 0A 30 -42,-1.5 -42,-3.1 -2,-0.3 2,-0.4 -0.957 8.7-158.8-159.0 145.6 47.8 18.0 16.8 70 80 A T E +B 26 0A 50 -2,-0.3 -44,-0.2 -44,-0.2 2,-0.2 -0.980 21.6 151.2-136.9 123.2 49.4 15.0 15.1 71 81 A T E -B 25 0A 32 -46,-3.0 -46,-1.9 -2,-0.4 2,-0.4 -0.501 36.8-107.2-131.3-165.9 49.1 11.4 16.0 72 82 A Q E +B 24 0A 88 -48,-0.2 2,-0.4 -2,-0.2 -48,-0.2 -0.996 28.3 176.2-138.2 134.8 49.2 7.9 14.5 73 83 A L E -B 23 0A 7 -50,-1.8 -50,-1.7 -2,-0.4 4,-0.0 -0.990 39.7 -94.2-135.9 140.8 46.3 5.4 14.0 74 84 A N > - 0 0 53 -2,-0.4 3,-1.6 -52,-0.2 -52,-0.2 -0.129 33.1-120.5 -48.5 148.4 46.2 2.0 12.4 75 85 A A T 3 S+ 0 0 2 -54,-0.3 63,-3.0 1,-0.3 64,-0.5 0.678 117.2 49.9 -67.6 -15.9 45.2 2.0 8.7 76 86 A N T 3 S+ 0 0 56 62,-0.2 -1,-0.3 -55,-0.2 2,-0.2 0.308 88.0 121.8-100.3 6.9 42.3 -0.2 9.7 77 87 A W < + 0 0 6 -3,-1.6 59,-2.2 62,-0.1 2,-0.3 -0.521 31.5 171.6 -85.0 136.4 41.1 2.1 12.6 78 88 A R E + F 0 135B 30 -2,-0.2 2,-0.3 57,-0.2 57,-0.2 -0.996 20.4 115.2-140.9 134.6 37.7 3.6 12.9 79 89 A G E - F 0 134B 0 55,-2.4 55,-2.2 -2,-0.3 2,-0.2 -0.977 52.4 -90.1 179.6 174.0 36.2 5.5 15.8 80 90 A S E - F 0 133B 4 -2,-0.3 -31,-3.3 53,-0.2 2,-0.3 -0.690 32.9-177.5-108.9 162.8 34.9 8.9 17.0 81 91 A Y E -DF 48 132B 1 51,-1.7 51,-3.0 -33,-0.3 2,-0.3 -0.920 7.2-163.3-146.7 166.6 36.6 11.8 18.7 82 92 A C E -D 47 0B 1 -35,-1.0 -35,-2.3 -2,-0.3 2,-0.3 -0.968 19.8-120.9-148.3 164.5 35.9 15.2 20.2 83 93 A F E -DG 46 114B 0 31,-3.2 31,-3.3 -2,-0.3 -37,-0.2 -0.789 13.4-163.0-101.8 153.9 37.8 18.4 21.2 84 94 A I E -D 45 0B 0 -39,-1.8 -39,-1.5 -2,-0.3 2,-0.4 -0.612 8.8-174.2-133.7 75.8 37.8 19.8 24.7 85 95 A P E +D 44 0B 16 0, 0.0 2,-0.3 0, 0.0 -41,-0.2 -0.580 17.1 177.6 -71.8 128.6 39.0 23.4 24.6 86 96 A T E -D 43 0B 0 -43,-2.3 -43,-1.7 -2,-0.4 -44,-1.7 -0.967 42.1-137.6-139.0 149.0 39.3 24.6 28.2 87 97 A E S S+ 0 0 86 -2,-0.3 2,-0.5 -46,-0.3 -1,-0.1 0.655 86.4 79.9 -75.2 -16.3 40.4 27.7 30.1 88 98 A R + 0 0 94 1,-0.1 3,-0.1 -45,-0.1 -45,-0.1 -0.827 43.5 172.9-107.4 126.1 42.2 25.6 32.6 89 99 A D + 0 0 35 -2,-0.5 -1,-0.1 1,-0.1 -2,-0.0 0.004 65.0 90.2-113.3 26.2 45.6 24.0 32.2 90 100 A D S > S+ 0 0 86 3,-0.1 3,-0.6 2,-0.0 4,-0.3 0.775 74.4 78.1 -87.2 -33.1 45.9 22.7 35.8 91 101 A I T 3 S+ 0 0 14 1,-0.2 15,-0.0 -3,-0.1 14,-0.0 -0.432 104.8 12.4 -65.0 151.4 44.2 19.4 34.8 92 102 A F T 3 S+ 0 0 24 9,-0.2 -1,-0.2 1,-0.1 -35,-0.1 0.892 91.3 117.2 43.3 54.3 46.6 17.0 33.0 93 103 A S < + 0 0 55 -3,-0.6 -1,-0.1 842,-0.0 -2,-0.1 0.618 43.8 94.5-113.4 -31.6 49.7 19.0 33.9 94 104 A A S S- 0 0 46 -4,-0.3 -4,-0.0 1,-0.1 0, 0.0 -0.449 89.2-115.9 -64.2 137.8 51.4 16.3 36.0 95 105 A P S S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.769 91.7 1.8 -61.7 -38.5 53.8 14.4 33.7 96 106 A S S S- 0 0 88 -42,-0.0 2,-0.3 0, 0.0 -3,-0.0 -0.873 72.5-151.4-149.3 117.0 52.1 11.1 33.8 97 107 A P - 0 0 17 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.632 12.9-130.9 -84.2 139.3 48.9 10.3 35.7 98 108 A D > - 0 0 81 -2,-0.3 4,-0.9 1,-0.0 3,-0.3 -0.208 47.0 -87.2 -63.1 176.7 47.9 6.9 37.2 99 109 A R H >> S+ 0 0 93 1,-0.2 4,-2.0 2,-0.2 3,-1.7 0.921 122.4 58.4 -65.4 -51.0 44.3 5.8 36.3 100 110 A L H 3> S+ 0 0 44 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.861 104.1 54.1 -47.0 -43.7 42.4 7.5 39.1 101 111 A E H 3> S+ 0 0 94 -3,-0.3 4,-2.8 1,-0.2 -1,-0.3 0.807 109.1 50.0 -63.7 -30.1 43.7 10.9 38.0 102 112 A L H X S+ 0 0 4 -4,-2.8 4,-1.3 1,-0.2 3,-0.6 0.932 114.1 43.3 -58.0 -52.2 40.5 14.5 35.1 106 116 A W H 3X S+ 0 0 13 -4,-3.4 4,-2.6 1,-0.2 -1,-0.2 0.771 105.7 66.9 -65.7 -25.0 38.3 13.6 32.1 107 117 A R H 3< S+ 0 0 42 -4,-1.9 585,-0.3 -5,-0.4 -1,-0.2 0.901 106.1 39.9 -61.6 -41.2 35.3 13.8 34.4 108 118 A K H << S+ 0 0 75 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.757 120.3 45.4 -78.8 -27.4 35.8 17.5 34.8 109 119 A L H >< S+ 0 0 0 -4,-1.3 3,-3.3 1,-0.1 4,-0.3 0.891 91.5 72.7 -86.4 -45.2 36.7 18.2 31.2 110 120 A L G >< S+ 0 0 10 -4,-2.6 3,-3.1 1,-0.3 -1,-0.1 0.778 83.5 72.6 -49.6 -33.3 34.2 16.2 29.0 111 121 A P G 3 S+ 0 0 77 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.866 101.2 46.3 -45.7 -37.0 31.4 18.7 29.9 112 122 A Q G < S+ 0 0 58 -3,-3.3 -2,-0.2 -4,-0.2 -3,-0.1 0.382 87.2 130.9 -88.8 3.2 33.3 21.1 27.6 113 123 A A < + 0 0 9 -3,-3.1 17,-0.3 -4,-0.3 2,-0.3 -0.178 32.8 179.9 -59.0 147.0 33.7 18.4 24.9 114 124 A I B -G 83 0B 62 -31,-3.3 -31,-3.2 15,-0.1 18,-0.2 -0.979 27.6-109.7-143.3 160.5 32.8 19.4 21.3 115 125 A A - 0 0 17 -2,-0.3 -32,-0.1 -33,-0.2 -33,-0.1 -0.176 48.7 -89.5 -71.1 178.1 32.7 17.9 17.9 116 126 A D > - 0 0 1 -35,-0.2 3,-2.8 3,-0.1 17,-0.1 -0.867 34.1-154.4 -96.8 102.8 35.1 19.1 15.2 117 127 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -88,-0.1 0.530 93.5 52.5 -53.3 -14.5 33.2 22.0 13.5 118 128 A L T 3 S+ 0 0 50 -90,-0.2 -89,-0.0 1,-0.0 -2,-0.0 0.471 91.3 89.3-102.6 -7.9 35.2 21.4 10.3 119 129 A N < - 0 0 15 -3,-2.8 -107,-0.1 1,-0.2 -3,-0.1 -0.828 61.5-159.8 -96.6 115.0 34.2 17.7 10.1 120 130 A P S S+ 0 0 100 0, 0.0 2,-2.5 0, 0.0 -1,-0.2 0.908 83.1 71.7 -57.5 -43.6 31.0 17.0 8.3 121 131 A Q S S+ 0 0 123 12,-0.2 12,-1.9 2,-0.0 2,-0.4 -0.393 71.4 127.2 -78.0 68.5 30.5 13.6 9.9 122 132 A S E +H 132 0B 44 -2,-2.5 2,-0.3 10,-0.3 10,-0.2 -0.987 30.2 173.4-125.8 135.4 29.6 14.9 13.4 123 133 A W E -H 131 0B 24 8,-1.6 8,-2.3 -2,-0.4 2,-0.8 -0.903 41.5-100.5-133.7 162.3 26.5 14.0 15.4 124 134 A K E -H 130 0B 151 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.792 56.5-167.5 -80.4 112.3 25.0 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