==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JAN-07 2OGS . COMPND 2 MOLECULE: THERMOSTABLE CARBOXYLESTERASE EST50; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR P.LIU,H.E.EWIS,P.C.TAI,C.D.LU,I.T.WEBER . 479 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18824.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 5.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 27 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.7 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 1 1 2 2 0 1 1 1 1 2 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 2 1 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 PARALLEL BRIDGES PER LADDER . 0 0 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 0 0 0 1 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 3 A R 0 0 185 0, 0.0 81,-0.4 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 -8.9 -1.6 -4.1 43.9 2 4 A T + 0 0 25 11,-0.1 11,-2.9 79,-0.1 2,-0.5 0.631 360.0 83.3 -87.2 -16.6 -0.9 -4.5 40.2 3 5 A V E -A 12 0A 55 9,-0.2 2,-0.4 79,-0.1 9,-0.2 -0.786 58.3-177.5 -95.5 128.5 -3.2 -1.6 39.2 4 6 A V E -A 11 0A 7 7,-2.5 7,-2.9 -2,-0.5 2,-0.6 -0.972 19.8-138.3-126.8 139.5 -1.9 1.9 39.4 5 7 A E E +A 10 0A 109 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.857 26.2 177.2-100.3 124.0 -3.8 5.1 38.7 6 8 A T E > -A 9 0A 8 3,-2.5 3,-0.6 -2,-0.6 159,-0.1 -0.519 49.7 -90.9-111.1-177.3 -1.9 7.8 36.7 7 9 A R T 3 S+ 0 0 181 1,-0.2 3,-0.1 -2,-0.2 38,-0.1 0.728 128.5 43.2 -68.1 -21.0 -2.9 11.2 35.4 8 10 A Y T 3 S- 0 0 37 1,-0.4 38,-2.8 37,-0.1 2,-0.3 0.477 126.0 -70.5-104.1 -4.5 -4.0 9.5 32.2 9 11 A G E < -A 6 0A 7 -3,-0.6 -3,-2.5 36,-0.2 -1,-0.4 -0.828 64.5 -44.4 141.1 179.4 -5.8 6.4 33.6 10 12 A R E -Ab 5 49A 113 38,-1.0 40,-3.0 36,-0.3 2,-0.4 -0.599 44.4-160.2 -87.2 145.2 -5.2 3.1 35.3 11 13 A L E -Ab 4 50A 0 -7,-2.9 -7,-2.5 -2,-0.2 2,-0.6 -0.981 8.4-146.0-127.4 135.4 -2.5 0.7 34.4 12 14 A R E +Ab 3 51A 87 38,-2.8 40,-2.4 -2,-0.4 -9,-0.2 -0.888 23.8 178.4-105.0 115.6 -2.3 -3.1 35.1 13 15 A G - 0 0 5 -11,-2.9 2,-0.3 -2,-0.6 9,-0.2 -0.097 17.3-123.5 -96.7-161.8 1.2 -4.4 35.7 14 16 A E E -C 21 0B 62 7,-2.3 7,-2.1 38,-0.2 2,-0.3 -0.968 18.0-103.8-146.6 160.6 2.5 -7.9 36.6 15 17 A M E +C 20 0B 68 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.660 39.2 169.4 -86.9 139.9 4.6 -9.7 39.2 16 18 A N E > -C 19 0B 58 3,-2.7 3,-3.0 -2,-0.3 -2,-0.0 -0.901 64.3 -23.5-155.6 122.7 8.1 -10.7 38.4 17 19 A E T 3 S- 0 0 107 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.783 124.2 -53.1 48.0 32.2 10.9 -12.1 40.6 18 20 A G T 3 S+ 0 0 71 1,-0.3 -1,-0.3 97,-0.0 2,-0.3 0.407 123.4 91.4 88.4 -5.8 9.3 -10.5 43.6 19 21 A V E < S-C 16 0B 5 -3,-3.0 -3,-2.7 62,-0.0 2,-0.3 -0.750 74.5-113.2-118.1 168.8 9.1 -7.0 42.1 20 22 A F E -CD 15 79B 24 59,-3.4 59,-2.5 -2,-0.3 2,-0.4 -0.797 28.9-171.3-103.6 145.1 6.4 -5.2 40.1 21 23 A V E -CD 14 78B 0 -7,-2.1 -7,-2.3 -2,-0.3 2,-0.5 -0.998 14.3-166.7-140.5 140.4 6.7 -4.2 36.5 22 24 A W E - D 0 77B 0 55,-2.3 55,-2.5 -2,-0.4 2,-0.3 -0.989 19.6-165.7-124.1 116.6 4.6 -2.1 34.1 23 25 A K E + 0 0 43 29,-2.6 31,-0.5 -2,-0.5 53,-0.2 -0.796 57.4 14.9-109.7 149.6 5.6 -2.4 30.4 24 26 A G E + 0 0 6 -2,-0.3 -1,-0.2 1,-0.2 52,-0.2 0.906 67.9 171.7 62.3 49.2 4.7 -0.3 27.4 25 27 A I E - D 0 75B 0 50,-2.7 50,-2.0 -3,-0.3 2,-0.4 -0.787 31.8-129.9 -90.5 122.8 3.3 2.8 29.1 26 28 A P E + D 0 74B 11 0, 0.0 48,-0.2 0, 0.0 3,-0.1 -0.591 27.7 177.2 -74.4 125.5 2.7 5.5 26.5 27 29 A Y + 0 0 4 46,-1.5 2,-0.3 -2,-0.4 47,-0.1 0.471 68.8 19.2-105.1 -3.7 4.3 8.8 27.7 28 30 A A S S- 0 0 5 45,-0.7 -1,-0.2 14,-0.2 2,-0.1 -0.974 93.7 -84.4-157.1 158.9 3.4 10.8 24.6 29 31 A K - 0 0 65 12,-2.8 12,-0.4 -2,-0.3 -2,-0.0 -0.470 62.6 -88.6 -69.3 139.7 0.9 10.6 21.8 30 32 A A - 0 0 22 1,-0.2 2,-1.8 -2,-0.1 41,-0.2 -0.241 33.5-136.6 -50.7 123.4 2.2 8.5 18.9 31 33 A P + 0 0 6 0, 0.0 6,-0.3 0, 0.0 2,-0.2 -0.294 61.0 125.6 -81.7 55.1 4.2 10.7 16.5 32 34 A V > - 0 0 61 -2,-1.8 3,-2.3 4,-0.1 2,-0.2 -0.646 60.9 -2.6-109.0 167.6 2.6 9.2 13.4 33 35 A G G > S+ 0 0 42 1,-0.3 3,-1.3 -2,-0.2 0, 0.0 -0.341 138.0 3.7 59.1-120.8 0.9 10.8 10.4 34 36 A E G 3 S+ 0 0 117 1,-0.2 -1,-0.3 -2,-0.2 210,-0.0 0.602 130.7 62.8 -72.7 -11.8 0.5 14.5 10.8 35 37 A R G X S+ 0 0 77 -3,-2.3 3,-1.4 -5,-0.1 -1,-0.2 0.367 73.5 120.8 -95.1 3.9 2.5 14.3 14.1 36 38 A R T < S+ 0 0 9 -3,-1.3 -4,-0.1 1,-0.2 95,-0.0 -0.470 81.6 10.8 -68.9 139.0 5.7 13.0 12.4 37 39 A F T 3 S+ 0 0 2 94,-0.3 -1,-0.2 -6,-0.3 109,-0.2 0.628 104.8 116.0 67.8 15.5 8.7 15.3 12.9 38 40 A L S < S- 0 0 34 -3,-1.4 -1,-0.2 1,-0.1 3,-0.1 -0.834 76.6 -89.5-113.7 153.4 6.9 17.3 15.5 39 41 A P - 0 0 41 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.137 58.9 -86.6 -53.8 156.1 7.7 17.7 19.3 40 42 A P - 0 0 29 0, 0.0 -10,-0.1 0, 0.0 -12,-0.0 -0.407 43.4-151.7 -69.6 141.4 6.1 15.1 21.5 41 43 A E - 0 0 67 -12,-0.4 -12,-2.8 -2,-0.1 -3,-0.0 -0.818 29.9 -86.8-113.4 153.4 2.6 15.8 22.8 42 44 A P - 0 0 94 0, 0.0 -14,-0.2 0, 0.0 -1,-0.1 -0.248 52.0-108.9 -55.1 140.0 0.9 14.6 26.0 43 45 A P - 0 0 10 0, 0.0 2,-0.3 0, 0.0 -14,-0.1 -0.320 35.3-100.5 -70.4 157.6 -0.7 11.1 25.6 44 46 A D - 0 0 108 -16,-0.1 -36,-0.1 1,-0.1 -16,-0.0 -0.584 36.5-118.2 -79.1 139.9 -4.5 10.9 25.6 45 47 A A - 0 0 73 -2,-0.3 2,-0.3 -38,-0.1 -36,-0.2 -0.325 32.2-155.2 -71.4 160.9 -6.2 9.8 28.8 46 48 A W - 0 0 42 -38,-2.8 -36,-0.3 2,-0.1 2,-0.2 -0.949 11.6-120.6-139.3 159.0 -8.2 6.5 28.7 47 49 A D S S+ 0 0 166 -2,-0.3 -39,-0.0 -38,-0.1 2,-0.0 -0.661 74.0 14.5 -97.2 154.7 -11.0 4.9 30.6 48 50 A G S S- 0 0 31 -2,-0.2 -38,-1.0 2,-0.1 2,-0.7 -0.215 107.0 -44.3 78.2-173.3 -10.8 1.5 32.4 49 51 A V E -b 10 0A 41 -40,-0.1 2,-0.3 -38,-0.1 -38,-0.2 -0.858 55.6-146.6 -99.4 115.7 -7.6 -0.3 33.2 50 52 A R E -b 11 0A 90 -40,-3.0 -38,-2.8 -2,-0.7 2,-0.3 -0.637 22.2-115.1 -81.2 136.3 -5.0 -0.4 30.4 51 53 A E E +b 12 0A 104 -2,-0.3 -38,-0.1 -40,-0.2 3,-0.1 -0.543 34.1 174.8 -73.5 132.4 -2.9 -3.5 30.2 52 54 A A + 0 0 1 -40,-2.4 -29,-2.6 -2,-0.3 -38,-0.2 -0.390 47.9 106.3-132.5 51.2 0.8 -2.8 30.8 53 55 A T S S+ 0 0 44 -31,-0.2 2,-0.4 -40,-0.1 -29,-0.1 0.473 71.7 56.5-108.1 -8.4 2.0 -6.4 30.7 54 56 A S S S- 0 0 84 -31,-0.5 -1,-0.1 -3,-0.1 2,-0.0 -0.966 85.7-108.4-129.3 144.7 3.7 -6.3 27.4 55 57 A F - 0 0 67 -2,-0.4 11,-0.1 -32,-0.1 3,-0.1 -0.318 35.0-122.9 -65.4 149.2 6.5 -4.1 25.9 56 58 A G - 0 0 13 1,-0.2 -32,-0.1 16,-0.1 48,-0.1 -0.427 42.4 -79.0 -85.8 168.2 5.4 -1.6 23.3 57 59 A P - 0 0 18 0, 0.0 17,-0.2 0, 0.0 -1,-0.2 -0.301 49.3-112.9 -66.1 156.9 7.0 -1.7 19.9 58 60 A V - 0 0 27 1,-0.1 11,-2.9 8,-0.1 3,-0.1 -0.454 40.3 -90.3 -82.8 161.3 10.5 -0.1 19.6 59 61 A V - 0 0 4 42,-0.3 11,-0.2 13,-0.3 42,-0.2 -0.256 62.2 -67.1 -69.8 163.0 11.0 3.0 17.5 60 62 A M S S+ 0 0 14 9,-0.5 68,-0.3 8,-0.2 71,-0.2 -0.251 78.1 132.5 -53.7 128.7 11.8 2.9 13.8 61 63 A Q - 0 0 23 -3,-0.1 2,-0.2 68,-0.1 39,-0.1 -0.958 65.6 -64.4-169.6 161.1 15.3 1.4 13.3 62 64 A P 0 0 51 0, 0.0 37,-0.0 0, 0.0 186,-0.0 -0.402 360.0 360.0 -60.8 124.6 17.1 -1.2 11.2 63 65 A S 0 0 127 -2,-0.2 4,-0.0 5,-0.1 -3,-0.0 -0.541 360.0 360.0 -98.8 360.0 15.6 -4.6 12.2 64 ! 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 65 77 A S 0 0 156 0, 0.0 -9,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 104.4 9.0 -9.1 19.9 66 78 A E - 0 0 136 -11,-0.1 -8,-0.1 1,-0.1 3,-0.1 0.056 360.0 -81.0 -71.6-172.6 6.8 -7.0 17.5 67 79 A A - 0 0 68 1,-0.1 -1,-0.1 -10,-0.1 -7,-0.1 -0.694 51.7 -91.0 -96.1 147.0 8.2 -5.0 14.5 68 80 A P - 0 0 36 0, 0.0 2,-0.3 0, 0.0 -9,-0.2 -0.203 53.2-178.4 -53.1 145.5 9.8 -1.5 14.9 69 81 A S - 0 0 39 -11,-2.9 -9,-0.5 1,-0.1 -3,-0.0 -0.984 45.2-124.2-148.3 155.3 7.2 1.3 14.5 70 82 A E S S+ 0 0 29 -2,-0.3 2,-1.6 -11,-0.2 3,-0.2 0.765 108.1 74.4 -68.4 -23.1 7.0 5.1 14.5 71 83 A D + 0 0 55 1,-0.2 -1,-0.2 -41,-0.2 -41,-0.1 -0.663 64.0 113.5 -89.0 78.8 4.5 4.5 17.3 72 84 A G + 0 0 0 -2,-1.6 2,-1.8 -16,-0.1 -13,-0.3 0.162 20.9 126.9-137.6 22.2 7.2 3.6 19.9 73 85 A L + 0 0 2 -3,-0.2 -46,-1.5 -45,-0.1 -45,-0.7 -0.560 42.4 131.8 -85.9 79.7 7.1 6.3 22.6 74 86 A Y E -D 26 0B 23 -2,-1.8 51,-1.6 -48,-0.2 2,-0.3 -0.861 38.6-158.8-126.6 159.6 6.8 4.0 25.6 75 87 A L E -DE 25 124B 0 -50,-2.0 -50,-2.7 -2,-0.3 2,-0.3 -0.920 8.1-144.2-134.8 161.3 8.4 3.6 28.9 76 88 A N E - E 0 123B 2 47,-2.8 47,-2.1 -2,-0.3 2,-0.4 -0.965 9.3-156.0-129.8 147.7 8.7 0.7 31.4 77 89 A I E -DE 22 122B 0 -55,-2.5 -55,-2.3 -2,-0.3 2,-0.4 -0.979 7.8-170.9-131.0 134.3 8.8 0.7 35.2 78 90 A W E +DE 21 121B 2 43,-2.6 43,-2.9 -2,-0.4 -57,-0.2 -0.973 19.9 161.8-120.1 133.8 10.1 -1.7 37.9 79 91 A S E -D 20 0B 0 -59,-2.5 -59,-3.4 -2,-0.4 3,-0.2 -0.994 47.4-129.5-152.7 147.5 9.3 -1.2 41.5 80 92 A P S S- 0 0 26 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.804 96.1 -18.6 -65.1 -27.9 9.3 -3.2 44.8 81 93 A A - 0 0 26 88,-0.3 2,-1.3 -61,-0.1 4,-0.2 -0.855 61.9-114.4-178.1 141.1 5.7 -2.0 45.3 82 94 A A S S+ 0 0 34 -81,-0.4 2,-0.2 -2,-0.2 87,-0.2 -0.707 75.4 102.9 -85.2 94.8 3.3 0.7 44.1 83 95 A D S S- 0 0 51 -2,-1.3 87,-0.8 84,-0.2 88,-0.2 -0.488 84.5 -79.2-143.3-146.0 2.8 2.6 47.4 84 96 A G S S+ 0 0 66 -2,-0.2 84,-0.1 86,-0.1 -2,-0.1 -0.167 77.4 120.2-126.7 41.9 4.0 5.9 49.0 85 97 A K - 0 0 144 -4,-0.2 -1,-0.1 82,-0.1 87,-0.1 0.497 68.6-133.9 -83.7 -3.7 7.5 5.0 50.2 86 98 A K - 0 0 137 85,-0.3 85,-0.2 81,-0.2 86,-0.2 0.951 33.5-172.9 49.1 62.8 9.2 7.7 48.0 87 99 A R E -f 171 0B 14 83,-1.9 85,-2.8 1,-0.1 88,-0.2 -0.459 32.6 -89.8 -84.3 156.7 12.0 5.5 46.7 88 100 A P E - 0 0 16 0, 0.0 32,-2.8 0, 0.0 2,-0.5 -0.306 43.0-138.5 -60.7 151.4 14.9 6.8 44.7 89 101 A V E -fg 176 120B 0 86,-2.5 88,-3.2 83,-0.3 2,-0.6 -0.972 10.8-159.9-120.5 122.2 14.1 6.7 40.9 90 102 A L E -fg 177 121B 0 30,-2.9 32,-2.8 -2,-0.5 2,-0.7 -0.907 8.4-163.1-101.1 119.0 16.7 5.6 38.3 91 103 A F E -fg 178 122B 0 86,-2.9 88,-2.6 -2,-0.6 2,-0.4 -0.903 10.3-155.2-108.4 106.4 15.8 6.9 34.9 92 104 A W E -fg 179 123B 0 30,-3.4 32,-1.3 -2,-0.7 2,-0.6 -0.710 13.3-169.8 -91.6 129.6 17.7 5.0 32.1 93 105 A I E -f 180 0B 0 86,-2.4 88,-0.8 -2,-0.4 95,-0.1 -0.962 23.1-139.5-115.6 113.2 18.4 6.3 28.7 94 106 A H - 0 0 1 -2,-0.6 93,-0.1 30,-0.4 2,-0.1 -0.255 9.9-136.4 -72.5 160.3 19.8 3.6 26.4 95 107 A G + 0 0 5 88,-0.2 87,-0.1 7,-0.1 7,-0.1 -0.227 43.1 137.8-100.6-166.4 22.6 4.1 23.9 96 108 A G S >> S- 0 0 6 85,-0.1 3,-2.5 -2,-0.1 4,-2.2 0.574 85.1 -80.8 129.8 32.0 23.0 2.9 20.3 97 109 A A T 34 S- 0 0 7 1,-0.3 166,-0.5 2,-0.2 4,-0.1 0.706 78.2 -73.6 50.5 30.4 24.5 5.9 18.5 98 110 A F T 34 S+ 0 0 0 2,-0.2 31,-3.2 1,-0.1 -1,-0.3 0.752 128.8 86.9 57.6 25.0 21.1 7.5 18.2 99 111 A L T <4 S+ 0 0 38 -3,-2.5 2,-0.3 1,-0.4 -2,-0.2 0.704 91.8 1.9-119.0 -46.8 20.4 4.9 15.6 100 112 A F S < S+ 0 0 58 -4,-2.2 -1,-0.4 -39,-0.1 -2,-0.2 -0.884 75.9 78.7-141.4 174.1 19.1 1.8 17.3 101 113 A G - 0 0 16 -2,-0.3 -42,-0.3 -42,-0.2 2,-0.3 -0.564 42.3-138.4 119.2 176.4 18.1 0.3 20.7 102 114 A S > - 0 0 10 -2,-0.2 3,-0.9 -7,-0.1 23,-0.2 -0.968 26.1-117.4-169.6 158.5 15.2 0.4 23.1 103 115 A G T 3 S+ 0 0 1 -2,-0.3 22,-0.1 1,-0.2 5,-0.1 0.643 111.1 64.9 -77.4 -13.9 14.4 0.6 26.8 104 116 A S T 3 S+ 0 0 20 -48,-0.1 -1,-0.2 5,-0.1 -49,-0.1 0.436 70.8 123.0 -88.7 -0.4 12.8 -2.8 26.5 105 117 A S S X S- 0 0 21 -3,-0.9 3,-2.1 1,-0.1 4,-0.1 -0.383 71.0-123.9 -60.8 137.1 16.0 -4.6 25.7 106 118 A P G > S+ 0 0 59 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.722 105.8 68.4 -57.7 -22.1 16.7 -7.4 28.2 107 119 A W G 3 S+ 0 0 78 1,-0.3 297,-0.1 300,-0.1 295,-0.1 0.659 100.2 49.7 -76.9 -5.3 20.1 -6.0 29.2 108 120 A Y G < S+ 0 0 11 -3,-2.1 -1,-0.3 -6,-0.1 -16,-0.1 0.224 76.5 146.1-109.8 11.9 18.3 -3.0 30.8 109 121 A D < - 0 0 26 -3,-1.4 3,-0.4 1,-0.2 4,-0.3 -0.277 40.3-151.5 -52.6 125.3 15.9 -5.1 32.8 110 122 A G > + 0 0 0 1,-0.2 4,-2.3 2,-0.1 5,-0.2 0.401 67.2 102.0 -84.7 3.7 15.3 -3.2 36.1 111 123 A T H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.909 81.7 47.6 -53.5 -50.3 14.5 -6.2 38.3 112 124 A A H > S+ 0 0 9 -3,-0.4 4,-3.3 2,-0.2 5,-0.4 0.918 112.4 47.7 -60.4 -48.3 18.0 -6.4 40.0 113 125 A F H > S+ 0 0 0 -4,-0.3 4,-2.6 289,-0.3 6,-0.5 0.955 116.0 45.7 -56.9 -49.7 18.2 -2.7 40.8 114 126 A A H X S+ 0 0 1 -4,-2.3 4,-1.3 1,-0.2 5,-0.3 0.912 118.5 41.7 -59.2 -46.7 14.7 -2.7 42.2 115 127 A K H < S+ 0 0 91 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.877 121.6 38.9 -70.6 -41.9 15.2 -5.8 44.2 116 128 A H H < S+ 0 0 75 -4,-3.3 -2,-0.2 -5,-0.2 -3,-0.2 0.788 129.4 26.4 -83.5 -28.9 18.7 -5.0 45.5 117 129 A G H < S- 0 0 6 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.2 0.554 94.9-124.0-112.2 -7.0 18.4 -1.3 46.2 118 130 A D < + 0 0 86 -4,-1.3 2,-0.3 -5,-0.4 -4,-0.2 0.957 67.6 133.6 60.7 50.4 14.7 -0.9 46.9 119 131 A V - 0 0 0 -6,-0.5 2,-0.4 -5,-0.3 -1,-0.2 -0.791 59.9-112.8-124.4 167.4 14.5 1.7 44.1 120 132 A V E - 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