==== 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 LYASE 27-APR-07 2PP3 . COMPND 2 MOLECULE: L-TALARATE/GALACTARATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,W.S.YEW,J.A.GERLT,S.C.ALMO . 1185 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44475.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 796 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 134 11.3 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 42 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 135 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 336 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.5 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 10 6 0 0 0 6 3 9 0 6 1 3 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 12 2 4 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 0 PARALLEL BRIDGES PER LADDER . 5 0 6 0 0 0 3 2 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 3 0 0 0 2 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 4 A S 0 0 145 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 94.8 26.0 41.8 86.5 2 5 A A - 0 0 109 1,-0.1 2,-0.3 0, 0.0 0, 0.0 0.922 360.0 -13.9 -64.3 -42.7 24.4 39.1 84.4 3 6 A N - 0 0 130 4,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.904 60.6-164.6-150.3 176.7 24.2 36.7 87.4 4 7 A S - 0 0 51 2,-0.5 4,-0.1 -2,-0.3 0, 0.0 -0.828 47.9 -79.1-150.7-172.6 25.4 36.2 91.0 5 8 A D S S+ 0 0 181 -2,-0.2 2,-0.1 2,-0.1 -2,-0.0 0.705 119.4 26.9 -70.9 -20.0 25.7 33.5 93.8 6 9 A A S S- 0 0 80 0, 0.0 -2,-0.5 0, 0.0 2,-0.3 0.045 102.2 -86.3-112.2-137.2 22.0 34.1 94.6 7 10 A V - 0 0 97 -4,-0.1 2,-0.3 -2,-0.1 -2,-0.1 -0.990 34.2-163.3-141.6 145.7 19.3 35.3 92.3 8 11 A T - 0 0 97 -2,-0.3 2,-0.4 -4,-0.1 -4,-0.0 -0.925 8.0-142.6-130.5 158.0 18.2 38.9 91.5 9 12 A Y - 0 0 181 -2,-0.3 2,-0.2 2,-0.0 -2,-0.0 -0.974 9.4-138.9-128.4 129.0 15.1 40.4 90.0 10 13 A A - 0 0 103 -2,-0.4 2,-0.4 1,-0.0 -2,-0.0 -0.500 20.0-140.9 -78.4 149.3 14.7 43.3 87.6 11 14 A K - 0 0 181 -2,-0.2 2,-0.6 0, 0.0 3,-0.1 -0.925 14.4-119.3-116.6 139.6 11.9 45.8 88.2 12 15 A A - 0 0 69 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 -0.659 12.9-163.0 -81.2 114.9 9.8 47.4 85.4 13 16 A A S S+ 0 0 117 -2,-0.6 2,-0.5 1,-0.2 -1,-0.2 0.806 89.3 42.6 -63.3 -28.2 10.0 51.2 85.4 14 17 A N + 0 0 112 1,-0.1 -1,-0.2 2,-0.1 0, 0.0 -0.955 60.8 176.5-124.6 111.8 6.8 51.2 83.3 15 18 A T + 0 0 109 -2,-0.5 2,-0.4 -3,-0.1 -1,-0.1 0.054 33.6 136.5-100.7 24.0 4.1 48.8 84.4 16 19 A R - 0 0 168 1,-0.0 2,-0.2 3,-0.0 -2,-0.1 -0.598 45.5-146.3 -70.9 123.1 1.6 49.9 81.7 17 20 A T > - 0 0 65 -2,-0.4 4,-1.5 1,-0.1 5,-0.2 -0.628 23.3-127.0-102.4 157.8 0.1 46.7 80.3 18 21 A A H > S+ 0 0 80 -2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.845 111.9 56.6 -62.5 -33.9 -1.1 45.5 76.9 19 22 A A H 4 S+ 0 0 71 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.909 108.6 44.2 -65.6 -43.1 -4.4 44.6 78.5 20 23 A E H 4 S+ 0 0 107 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.726 120.8 39.3 -75.8 -21.7 -5.1 48.0 79.9 21 24 A T H < S+ 0 0 60 -4,-1.5 -2,-0.2 2,-0.0 -1,-0.2 0.576 86.9 116.7-106.3 -10.0 -4.1 49.9 76.7 22 25 A G < - 0 0 12 -4,-1.5 -3,-0.0 -5,-0.2 -5,-0.0 -0.141 69.2 -99.7 -62.9 154.2 -5.5 47.7 74.0 23 26 A D - 0 0 4 44,-0.1 2,-0.3 45,-0.0 80,-0.2 -0.114 36.0-145.3 -63.5 167.4 -8.3 48.8 71.5 24 27 A R - 0 0 66 77,-0.2 43,-3.1 78,-0.1 2,-0.3 -1.000 14.9-117.7-143.1 138.7 -11.9 47.7 72.1 25 28 A I E +A 66 0A 2 75,-2.4 74,-3.1 72,-0.4 41,-0.3 -0.597 36.3 167.1 -74.3 130.1 -14.8 46.7 69.8 26 29 A E E + 0 0 63 39,-2.5 367,-1.7 -2,-0.3 2,-0.3 0.562 57.9 30.6-120.7 -14.9 -17.6 49.2 70.3 27 30 A W E -AB 65 392A 1 38,-1.7 38,-2.4 365,-0.2 2,-0.3 -0.998 53.5-178.6-149.7 143.4 -19.9 48.6 67.4 28 31 A V E -AB 64 391A 0 363,-2.1 363,-2.6 -2,-0.3 2,-0.4 -0.993 3.9-171.2-144.0 134.3 -21.0 45.7 65.2 29 32 A K E -AB 63 390A 25 34,-2.5 34,-2.8 -2,-0.3 2,-0.4 -0.993 5.1-168.4-127.2 133.0 -23.4 45.5 62.2 30 33 A L E -AB 62 389A 0 359,-2.5 359,-1.9 -2,-0.4 2,-0.3 -0.933 4.7-173.9-121.1 145.8 -24.6 42.4 60.5 31 34 A S E -AB 61 388A 0 30,-2.2 30,-2.6 -2,-0.4 2,-0.6 -0.994 19.3-152.9-140.6 145.7 -26.5 42.0 57.2 32 35 A L E +AB 60 387A 0 355,-2.7 354,-3.3 -2,-0.3 355,-1.6 -0.975 29.5 173.8-116.5 111.3 -28.1 39.2 55.3 33 36 A A E -AB 59 385A 0 26,-3.2 26,-3.3 -2,-0.6 2,-0.5 -0.858 23.6-139.3-118.7 155.0 -28.1 40.1 51.6 34 37 A F E -A 58 0A 24 350,-2.2 24,-0.2 -2,-0.3 -2,-0.0 -0.970 5.6-152.7-120.7 124.8 -29.1 38.2 48.5 35 38 A L E -A 57 0A 4 22,-3.0 22,-1.9 -2,-0.5 2,-0.2 -0.853 21.7-139.6 -94.6 109.3 -27.2 38.2 45.3 36 39 A P E -A 56 0A 69 0, 0.0 2,-0.7 0, 0.0 20,-0.3 -0.478 5.0-149.7 -75.0 138.8 -29.5 37.5 42.4 37 40 A L E - 0 0 22 18,-2.8 4,-0.1 -2,-0.2 -2,-0.0 -0.901 3.6-164.0-110.0 103.3 -28.4 35.3 39.5 38 41 A A E S+ 0 0 104 -2,-0.7 -1,-0.2 1,-0.2 18,-0.0 0.873 84.3 49.9 -50.4 -44.6 -30.2 36.4 36.3 39 42 A T E S- 0 0 91 -3,-0.1 -1,-0.2 0, 0.0 15,-0.1 -0.888 96.5-125.0-102.9 111.4 -29.2 33.1 34.7 40 43 A P E - 0 0 63 0, 0.0 2,-0.4 0, 0.0 15,-0.2 -0.317 28.9-135.1 -54.1 131.1 -30.1 30.1 36.9 41 44 A V E -A 54 0A 12 13,-2.7 13,-2.9 -4,-0.1 2,-0.4 -0.786 22.2-173.8 -99.2 132.4 -27.0 28.0 37.3 42 45 A S + 0 0 13 -2,-0.4 127,-1.0 11,-0.2 128,-0.7 -0.972 7.5 171.0-128.0 121.5 -26.9 24.2 37.0 43 46 A D >> - 0 0 14 -2,-0.4 3,-2.0 125,-0.2 4,-1.5 -0.478 60.5 -73.9-108.5-171.8 -24.0 21.9 37.7 44 47 A A H 3> S+ 0 0 0 151,-0.4 4,-1.8 1,-0.3 6,-0.3 0.769 127.6 68.3 -56.4 -27.7 -24.1 18.0 37.9 45 48 A K H 34>S+ 0 0 18 1,-0.2 6,-1.7 2,-0.2 5,-1.3 0.807 106.0 42.7 -61.5 -28.2 -25.9 18.1 41.2 46 49 A V H X45S+ 0 0 24 -3,-2.0 3,-1.3 4,-0.2 -2,-0.2 0.877 110.8 53.1 -84.0 -42.8 -28.8 19.6 39.3 47 50 A L H 3<5S+ 0 0 61 -4,-1.5 -2,-0.2 1,-0.3 -3,-0.1 0.729 109.6 49.5 -67.8 -20.1 -28.6 17.3 36.3 48 51 A T T 3<5S- 0 0 50 -4,-1.8 -1,-0.3 149,-0.1 -2,-0.2 0.464 117.1-114.6 -93.9 -3.4 -28.7 14.2 38.6 49 52 A G T < 5S+ 0 0 65 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.513 83.6 118.5 86.3 5.0 -31.7 15.6 40.4 50 53 A R S -A 25 0A 0 4,-2.7 3,-1.8 -2,-0.4 -41,-0.2 -0.628 27.7-110.9-104.6 162.6 -13.3 49.9 67.3 67 70 A R T 3 S+ 0 0 98 -43,-3.1 -42,-0.1 1,-0.3 -1,-0.1 0.883 114.4 55.0 -53.3 -45.8 -12.8 52.6 70.0 68 71 A D T 3 S- 0 0 85 -44,-0.2 -1,-0.3 1,-0.1 -43,-0.1 0.275 125.1 -93.7 -79.9 14.3 -9.6 53.8 68.4 69 72 A G S < S+ 0 0 57 -3,-1.8 2,-0.1 1,-0.3 -2,-0.1 0.401 79.6 131.5 97.2 -3.3 -11.0 54.3 65.0 70 73 A F - 0 0 64 -5,-0.0 -4,-2.7 73,-0.0 2,-0.3 -0.465 32.8-166.6 -85.8 157.6 -10.3 51.1 63.1 71 74 A E E -C 65 0A 62 -6,-0.2 2,-0.3 68,-0.1 -6,-0.2 -0.987 6.2-169.6-142.5 151.3 -12.9 49.2 61.1 72 75 A G E -C 64 0A 1 -8,-2.3 -8,-2.8 -2,-0.3 2,-0.4 -0.972 3.2-164.7-140.2 153.1 -13.2 45.8 59.5 73 76 A V E +C 63 0A 17 -2,-0.3 2,-0.3 62,-0.3 -10,-0.2 -0.996 17.9 155.6-138.7 140.8 -15.5 44.1 57.1 74 77 A G E -C 62 0A 1 -12,-2.1 -12,-2.7 -2,-0.4 2,-0.3 -0.950 13.4-168.2-154.9 170.6 -16.0 40.4 56.3 75 78 A F E -C 61 0A 8 -2,-0.3 2,-0.2 -14,-0.2 -14,-0.2 -0.995 13.0-162.3-161.9 163.6 -18.5 37.9 55.0 76 79 A S E -C 60 0A 0 -16,-1.9 -16,-2.2 -2,-0.3 2,-0.3 -0.744 20.6-159.5-134.6-176.3 -19.6 34.4 54.5 77 80 A Y E -C 59 0A 1 -2,-0.2 2,-0.3 -18,-0.2 -18,-0.2 -0.958 12.8-141.8-159.8 174.5 -22.3 33.0 52.1 78 81 A S E -C 58 0A 13 -20,-1.7 -20,-2.7 -2,-0.3 2,-0.8 -0.970 8.6-149.4-150.8 131.2 -24.6 30.2 51.3 79 82 A K S S- 0 0 35 -2,-0.3 -22,-0.1 -22,-0.2 2,-0.1 -0.929 81.5 -17.2-102.3 109.5 -25.6 28.7 47.9 80 83 A R S > S+ 0 0 72 -2,-0.8 3,-0.7 -24,-0.5 -22,-0.2 -0.431 127.0 6.8 85.6-163.8 -29.1 27.5 48.5 81 84 A A T 3 S+ 0 0 103 1,-0.2 -2,-0.2 -2,-0.1 0, 0.0 -0.164 103.5 68.1 -53.1 133.9 -30.5 26.9 52.0 82 85 A G T 3> + 0 0 15 -4,-0.1 4,-2.2 42,-0.0 -1,-0.2 0.053 65.7 94.5 147.7 -28.2 -28.3 28.1 54.9 83 86 A G H <> S+ 0 0 3 -3,-0.7 4,-2.2 1,-0.2 5,-0.2 0.901 86.3 50.8 -58.4 -45.1 -28.2 31.9 54.6 84 87 A Q H > S+ 0 0 105 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.897 112.0 47.6 -61.1 -41.9 -31.0 32.4 57.1 85 88 A G H > S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.892 110.0 51.1 -68.4 -40.1 -29.4 30.2 59.7 86 89 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.942 114.1 43.9 -63.5 -46.4 -26.0 31.7 59.4 87 90 A Y H X S+ 0 0 10 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.944 112.8 52.3 -63.1 -47.9 -27.3 35.3 59.9 88 91 A A H X S+ 0 0 54 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.889 113.1 43.6 -56.4 -43.4 -29.6 34.3 62.7 89 92 A H H X S+ 0 0 27 -4,-2.3 4,-1.7 2,-0.2 5,-0.2 0.934 112.0 52.4 -70.2 -43.9 -26.8 32.6 64.7 90 93 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 3,-0.3 0.911 110.4 50.5 -55.9 -41.5 -24.4 35.4 64.0 91 94 A K H < S+ 0 0 106 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.864 107.7 52.4 -64.9 -37.1 -27.1 37.8 65.3 92 95 A E H < S+ 0 0 149 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.780 120.6 32.0 -73.8 -23.3 -27.5 35.7 68.5 93 96 A I H >< S+ 0 0 4 -4,-1.7 3,-2.0 -3,-0.3 4,-0.2 0.631 91.7 92.2-107.4 -14.9 -23.8 35.7 69.3 94 97 A A G >< S+ 0 0 0 -4,-2.3 3,-2.8 1,-0.3 4,-0.4 0.824 73.7 68.0 -48.6 -43.0 -22.6 39.1 68.0 95 98 A D G > S+ 0 0 83 -4,-0.5 3,-1.0 1,-0.3 -1,-0.3 0.735 85.5 73.4 -53.5 -22.2 -23.1 41.1 71.3 96 99 A N G < S+ 0 0 40 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.707 86.3 65.5 -65.2 -19.6 -20.2 39.0 72.7 97 100 A L G X S+ 0 0 0 -3,-2.8 3,-2.2 -4,-0.2 -72,-0.4 0.811 74.9 107.3 -72.9 -30.1 -17.9 41.0 70.6 98 101 A L T < S+ 0 0 62 -3,-1.0 -72,-0.2 -4,-0.4 3,-0.1 -0.248 89.3 9.0 -56.1 126.9 -18.6 44.3 72.5 99 102 A G T 3 S+ 0 0 43 -74,-3.1 -1,-0.3 1,-0.3 2,-0.2 0.442 96.4 128.8 85.1 -1.4 -15.7 45.4 74.7 100 103 A E < - 0 0 42 -3,-2.2 -75,-2.4 -75,-0.2 -1,-0.3 -0.585 69.6-109.3 -87.1 151.2 -13.2 42.7 73.4 101 104 A D > - 0 0 27 -77,-0.2 3,-1.7 -2,-0.2 -77,-0.2 -0.714 27.7-147.1 -78.1 113.5 -9.7 43.6 72.2 102 105 A P T 3 S+ 0 0 3 0, 0.0 -1,-0.2 0, 0.0 38,-0.1 0.645 90.8 67.3 -57.8 -17.7 -10.1 43.1 68.4 103 106 A N T 3 S+ 0 0 40 1,-0.2 2,-1.7 -80,-0.2 3,-0.2 0.726 81.5 76.5 -77.7 -21.3 -6.5 41.9 68.1 104 107 A D <> + 0 0 71 -3,-1.7 4,-2.4 1,-0.2 -1,-0.2 -0.518 60.7 161.8 -89.9 68.6 -7.0 38.8 70.1 105 108 A I H > + 0 0 8 -2,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.885 69.7 43.6 -57.3 -48.7 -8.8 37.0 67.2 106 109 A D H > S+ 0 0 105 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.849 111.8 54.7 -70.4 -31.2 -8.5 33.4 68.4 107 110 A K H > S+ 0 0 137 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.925 111.9 44.5 -65.8 -43.3 -9.5 34.4 71.9 108 111 A I H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.907 110.1 55.7 -65.5 -42.5 -12.6 36.0 70.5 109 112 A Y H X S+ 0 0 21 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.945 108.4 47.6 -55.3 -49.6 -13.2 33.0 68.3 110 113 A T H X S+ 0 0 64 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.852 109.4 53.5 -61.7 -35.6 -13.1 30.7 71.3 111 114 A K H X S+ 0 0 73 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.923 109.4 48.6 -64.9 -43.7 -15.5 33.0 73.2 112 115 A L H X S+ 0 0 3 -4,-2.6 4,-0.9 2,-0.2 -2,-0.2 0.862 110.1 51.9 -64.4 -37.6 -18.0 32.8 70.3 113 116 A L H >< S+ 0 0 37 -4,-2.2 3,-0.6 -5,-0.2 -1,-0.2 0.925 110.8 47.5 -66.1 -42.2 -17.7 29.0 70.2 114 117 A W H >< S+ 0 0 178 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.882 105.9 58.4 -66.1 -36.8 -18.4 28.8 73.9 115 118 A A H 3< S+ 0 0 53 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.766 121.1 28.6 -63.8 -23.3 -21.4 31.1 73.6 116 119 A G T X< S+ 0 0 12 -4,-0.9 3,-1.8 -3,-0.6 -1,-0.3 -0.124 78.3 136.8-127.3 37.4 -22.8 28.7 71.1 117 120 A A G X + 0 0 54 -3,-1.5 3,-1.4 1,-0.3 -2,-0.1 0.792 64.5 67.0 -55.9 -30.1 -21.3 25.4 72.4 118 121 A S G 3 S+ 0 0 127 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.758 98.3 52.9 -64.5 -24.6 -24.6 23.6 71.9 119 122 A V G < S- 0 0 85 -3,-1.8 6,-0.4 1,-0.3 3,-0.3 0.158 108.5-117.9-101.4 19.8 -24.4 23.9 68.1 120 123 A G < - 0 0 32 -3,-1.4 -1,-0.3 1,-0.2 -4,-0.1 -0.142 18.8 -83.9 86.2-176.6 -20.9 22.5 67.5 121 124 A R S S+ 0 0 170 4,-0.0 2,-0.3 5,-0.0 -1,-0.2 -0.062 103.2 45.6-125.7 28.2 -17.5 23.5 66.2 122 125 A S S > S+ 0 0 51 -3,-0.3 3,-0.7 157,-0.1 157,-0.2 -0.941 91.1 27.8-157.3 170.5 -18.2 22.9 62.5 123 126 A G T >> S- 0 0 15 155,-1.6 4,-1.6 -2,-0.3 3,-1.0 -0.313 115.1 -6.6 74.1-154.0 -20.9 23.6 60.0 124 127 A M H 3> S+ 0 0 86 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.784 126.6 61.0 -50.3 -40.0 -23.3 26.5 60.2 125 128 A A H <4 S+ 0 0 9 -3,-0.7 4,-0.5 -6,-0.4 3,-0.3 0.893 109.2 41.7 -60.7 -40.3 -22.2 27.8 63.6 126 129 A V H <> S+ 0 0 4 -3,-1.0 4,-2.0 1,-0.2 3,-0.4 0.794 108.3 60.4 -78.0 -24.3 -18.7 28.4 62.4 127 130 A Q H < S+ 0 0 23 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.734 101.8 54.5 -72.1 -18.6 -19.9 29.9 59.2 128 131 A A T < S+ 0 0 0 -4,-1.1 4,-0.4 -3,-0.3 -1,-0.3 0.671 109.4 47.6 -83.3 -20.6 -21.7 32.4 61.3 129 132 A I T >> S+ 0 0 2 -4,-0.5 4,-3.3 -3,-0.4 3,-0.5 0.782 94.0 78.8 -88.1 -30.0 -18.4 33.2 62.9 130 133 A S H 3X S+ 0 0 0 -4,-2.0 4,-3.4 170,-0.3 175,-0.3 0.871 90.5 50.7 -45.6 -52.1 -16.5 33.5 59.6 131 134 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.902 116.0 43.2 -57.8 -38.4 -17.8 37.0 58.7 132 135 A I H <> S+ 0 0 1 -3,-0.5 4,-2.2 -4,-0.4 -2,-0.2 0.938 114.7 48.4 -69.8 -50.1 -16.7 38.2 62.1 133 136 A D H X S+ 0 0 2 -4,-3.3 4,-1.7 1,-0.2 5,-0.2 0.936 114.3 47.2 -56.3 -47.0 -13.3 36.4 62.0 134 137 A I H X S+ 0 0 0 -4,-3.4 4,-2.3 -5,-0.3 -61,-0.2 0.891 109.3 53.6 -64.0 -39.1 -12.7 37.7 58.5 135 138 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.3 -62,-0.3 0.878 107.3 51.9 -64.4 -36.5 -13.7 41.3 59.6 136 139 A L H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.879 110.3 46.9 -68.9 -36.7 -11.2 41.2 62.5 137 140 A W H X S+ 0 0 39 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.896 111.3 52.7 -69.9 -38.5 -8.3 40.1 60.2 138 141 A D H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.940 111.4 47.4 -59.6 -46.4 -9.3 42.8 57.7 139 142 A M H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.889 110.2 50.9 -63.6 -41.0 -9.2 45.3 60.6 140 143 A K H X S+ 0 0 56 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.912 110.4 48.9 -65.3 -41.7 -5.8 44.1 61.8 141 144 A A H <>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 4,-0.5 0.919 111.6 49.8 -61.8 -44.9 -4.2 44.4 58.4 142 145 A K H ><5S+ 0 0 38 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.864 105.8 57.0 -61.9 -35.3 -5.7 47.9 58.1 143 146 A R H 3<5S+ 0 0 70 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.836 109.2 46.1 -64.0 -31.9 -4.2 48.7 61.5 144 147 A A T 3<5S- 0 0 55 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.490 114.8-119.6 -87.2 -4.8 -0.8 47.7 60.0 145 148 A G T < 5S+ 0 0 33 -3,-0.9 -3,-0.2 -4,-0.5 -2,-0.1 0.874 73.6 124.4 67.4 37.6 -1.4 49.7 56.9 146 149 A L S > -d 372 0B 14 0, 0.0 4,-1.6 0, 0.0 3,-1.0 -0.486 47.0-110.5 -68.1 150.5 -3.0 44.5 52.3 148 151 A L H >> S+ 0 0 0 224,-3.0 4,-2.4 1,-0.3 3,-0.6 0.912 118.0 59.0 -50.9 -45.5 -4.1 41.3 54.2 149 152 A A H 3> S+ 0 0 0 223,-0.3 4,-1.9 1,-0.3 -1,-0.3 0.844 106.9 48.3 -52.6 -36.1 -1.7 39.1 52.1 150 153 A K H <4 S+ 0 0 102 -3,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.805 106.7 54.5 -76.0 -31.5 1.2 41.3 53.4 151 154 A L H << S+ 0 0 49 -4,-1.6 -2,-0.2 -3,-0.6 -1,-0.2 0.921 115.8 40.1 -66.8 -42.2 0.1 41.0 57.0 152 155 A L H < S- 0 0 47 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.837 125.3-106.6 -72.8 -33.2 0.1 37.3 56.6 153 156 A G < - 0 0 37 -4,-1.9 2,-0.3 -5,-0.3 -3,-0.2 0.390 34.0-128.1 105.4 116.3 3.3 37.4 54.6 154 157 A A - 0 0 31 -4,-0.1 183,-0.2 1,-0.1 3,-0.1 -0.668 21.6-170.3-101.1 155.0 3.2 36.8 50.9 155 158 A H S S+ 0 0 123 181,-2.9 2,-0.3 1,-0.3 182,-0.2 0.467 83.2 23.1-110.8 -15.1 5.2 34.4 48.7 156 159 A R - 0 0 25 180,-0.9 -1,-0.3 1,-0.0 3,-0.1 -0.987 62.8-139.6-151.1 153.9 3.8 36.0 45.5 157 160 A D S S+ 0 0 100 -2,-0.3 210,-2.0 -3,-0.1 2,-0.3 0.432 91.4 19.3 -94.4 -2.8 2.3 39.3 44.4 158 161 A S E S-E 366 0C 9 208,-0.2 2,-0.4 178,-0.1 208,-0.2 -0.966 72.2-135.8-157.3 162.0 -0.3 37.6 42.1 159 162 A V E -E 365 0C 0 206,-2.1 206,-2.4 -2,-0.3 184,-0.1 -0.990 28.1-102.5-134.7 136.2 -1.9 34.2 41.7 160 163 A Q E -E 364 0C 52 182,-0.4 184,-2.5 -2,-0.4 2,-0.4 -0.206 45.5-158.6 -48.0 136.3 -2.8 32.0 38.7 161 164 A C E -g 344 0D 0 202,-2.4 28,-2.5 182,-0.2 29,-0.5 -0.972 15.1-173.0-130.4 137.5 -6.5 32.3 38.1 162 165 A Y E -g 345 0D 0 182,-2.3 184,-2.7 -2,-0.4 2,-0.4 -0.934 21.9-123.7-125.6 151.1 -9.0 30.1 36.3 163 166 A N E +gh 346 191D 6 27,-2.4 29,-2.3 -2,-0.3 184,-0.2 -0.760 29.2 165.9 -98.7 142.5 -12.7 30.7 35.4 164 167 A T > + 0 0 11 182,-2.0 3,-2.0 -2,-0.4 30,-0.2 0.660 65.1 75.3-118.6 -32.3 -15.6 28.5 36.4 165 168 A S T 3 S+ 0 0 21 181,-1.0 3,-0.4 1,-0.3 182,-0.1 0.673 94.4 55.4 -60.4 -18.1 -18.7 30.6 35.8 166 169 A G T 3 S+ 0 0 12 1,-0.2 -1,-0.3 26,-0.1 13,-0.2 0.451 101.8 56.0 -96.2 2.2 -18.4 30.1 32.0 167 170 A G S < S+ 0 0 3 -3,-2.0 27,-2.3 25,-0.2 -1,-0.2 0.128 70.3 135.6-122.0 25.7 -18.4 26.3 32.0 168 171 A F > - 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