==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-APR-10 3MPO . COMPND 2 MOLECULE: PREDICTED HYDROLASE OF THE HAD SUPERFAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS BREVIS; . AUTHOR Z.ZHANG,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CENTE . 996 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40704.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 755 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 132 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 . 79 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 273 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 3.0 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 2 2 10 1 0 2 11 3 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 7 7 5 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 0 PARALLEL BRIDGES PER LADDER . 5 1 8 14 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 6 2 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 3 A I 0 0 98 0, 0.0 201,-0.2 0, 0.0 200,-0.1 0.000 360.0 360.0 360.0 117.6 55.9 48.3 105.1 2 4 A K + 0 0 102 199,-2.1 24,-2.3 1,-0.2 2,-0.3 0.279 360.0 53.7-130.6 6.0 56.3 48.3 101.3 3 5 A L E -ab 26 202A 0 198,-1.3 200,-2.4 22,-0.2 2,-0.5 -0.923 56.6-168.6-152.7 120.4 53.1 46.6 100.0 4 6 A I E -ab 27 203A 5 22,-2.1 24,-3.3 -2,-0.3 2,-0.5 -0.943 5.0-161.6-118.2 121.4 49.4 47.5 100.7 5 7 A A E -ab 28 204A 0 198,-2.2 200,-2.1 -2,-0.5 2,-0.5 -0.874 12.6-168.7-100.2 121.6 46.5 45.3 99.7 6 8 A I E -a 29 0A 17 22,-2.3 24,-2.3 -2,-0.5 198,-0.1 -0.911 7.1-155.9-123.5 111.2 43.1 47.1 99.6 7 9 A D 0 0 19 -2,-0.5 24,-0.1 22,-0.2 203,-0.0 0.012 360.0 360.0 -61.7 176.8 39.7 45.4 99.3 8 10 A I 0 0 107 22,-0.2 -1,-0.1 197,-0.1 23,-0.1 0.249 360.0 360.0-154.3 360.0 36.6 47.2 97.9 9 ! 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 10 22 A A >> 0 0 106 0, 0.0 4,-2.2 0, 0.0 3,-1.9 0.000 360.0 360.0 360.0 98.0 37.3 59.9 97.1 11 23 A Q H 3> + 0 0 123 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.821 360.0 58.1 -54.6 -37.4 40.0 62.5 96.6 12 24 A A H 3> S+ 0 0 67 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.834 111.7 44.2 -58.9 -31.3 41.3 62.2 100.1 13 25 A T H <> S+ 0 0 29 -3,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.865 109.8 53.0 -83.5 -41.8 41.9 58.5 99.3 14 26 A I H >X S+ 0 0 30 -4,-2.2 4,-2.8 1,-0.2 3,-0.8 0.948 112.0 48.1 -50.9 -51.9 43.4 59.1 95.9 15 27 A D H 3X S+ 0 0 75 -4,-2.7 4,-2.3 1,-0.3 -2,-0.2 0.913 106.5 53.8 -60.0 -47.6 45.9 61.5 97.5 16 28 A A H 3X S+ 0 0 0 -4,-1.5 4,-1.5 -5,-0.2 -1,-0.3 0.699 113.4 46.8 -62.9 -17.8 46.8 59.1 100.4 17 29 A V H S+ 0 0 6 -4,-1.5 5,-1.9 1,-0.3 -2,-0.2 0.772 118.9 53.4 -42.0 -31.5 52.4 55.8 99.6 21 33 A K H ><5S+ 0 0 31 -4,-3.0 3,-2.8 3,-0.2 -1,-0.3 0.966 106.9 47.4 -69.6 -54.8 53.1 55.2 95.9 22 34 A A H 3<5S+ 0 0 89 -4,-2.8 -2,-0.2 -3,-0.4 -1,-0.2 0.862 105.4 60.9 -53.3 -38.9 55.5 58.1 95.5 23 35 A Q T 3<5S- 0 0 158 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.437 130.1-102.2 -69.1 0.4 57.2 56.9 98.6 24 36 A G T < 5S+ 0 0 56 -3,-2.8 2,-0.4 -5,-0.3 -3,-0.2 0.829 70.2 150.0 85.1 36.2 57.8 53.7 96.5 25 37 A I < - 0 0 10 -5,-1.9 2,-0.9 -4,-0.2 -1,-0.3 -0.784 48.1-125.3 -99.5 142.8 55.1 51.4 97.8 26 38 A K E -a 3 0A 57 -24,-2.3 -22,-2.1 -2,-0.4 2,-0.7 -0.787 25.7-158.7 -83.1 108.0 53.4 48.7 95.8 27 39 A V E -a 4 0A 0 -2,-0.9 2,-0.7 -24,-0.2 26,-0.4 -0.817 6.3-164.9 -92.8 116.4 49.6 49.4 96.1 28 40 A V E -a 5 0A 0 -24,-3.3 -22,-2.3 -2,-0.7 26,-0.2 -0.847 6.3-151.3-108.9 103.2 47.6 46.3 95.3 29 41 A L E -ac 6 54A 7 24,-0.8 26,-2.1 -2,-0.7 2,-0.4 -0.428 9.8-155.6 -66.4 145.2 43.9 46.6 94.6 30 42 A C E + c 0 55A 0 -24,-2.3 2,-0.3 24,-0.2 26,-0.2 -0.980 22.9 157.9-130.3 120.8 41.8 43.6 95.5 31 43 A T - 0 0 5 24,-2.0 27,-2.4 -2,-0.4 28,-0.4 -0.930 49.2-134.8-144.0 160.1 38.4 43.0 93.9 32 44 A G S S+ 0 0 20 -2,-0.3 -1,-0.1 25,-0.3 24,-0.1 0.699 89.3 77.0 -84.0 -24.4 35.7 40.5 93.0 33 45 A R S S- 0 0 74 1,-0.2 24,-2.3 24,-0.1 25,-0.2 -0.137 94.2 -92.2 -73.7 175.2 35.5 41.9 89.4 34 46 A P >> - 0 0 0 0, 0.0 3,-1.2 0, 0.0 4,-0.5 -0.269 51.3 -90.2 -74.5 177.8 37.9 41.3 86.6 35 47 A L H >> S+ 0 0 14 1,-0.3 3,-1.8 2,-0.2 4,-1.3 0.877 128.5 61.3 -57.5 -39.5 40.8 43.8 86.1 36 48 A T H 34 S+ 0 0 40 1,-0.3 -1,-0.3 63,-0.2 64,-0.0 0.748 93.4 66.7 -61.4 -23.4 38.6 45.9 83.8 37 49 A G H <4 S+ 0 0 3 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.792 113.0 28.9 -66.9 -29.0 36.3 46.3 86.7 38 50 A V H XX S+ 0 0 0 -3,-1.8 4,-2.0 -4,-0.5 3,-1.0 0.479 88.2 103.6-111.5 -5.0 38.9 48.4 88.6 39 51 A Q H 3X S+ 0 0 62 -4,-1.3 4,-2.3 1,-0.2 5,-0.2 0.842 77.6 59.4 -44.0 -43.9 40.8 49.9 85.6 40 52 A P H 3> S+ 0 0 44 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.872 107.6 43.3 -56.4 -43.7 39.0 53.3 86.2 41 53 A Y H <> S+ 0 0 108 -3,-1.0 4,-0.9 2,-0.2 6,-0.2 0.861 111.8 54.4 -71.5 -37.9 40.4 53.7 89.8 42 54 A L H <>S+ 0 0 0 -4,-2.0 5,-0.5 1,-0.2 3,-0.5 0.888 107.2 51.7 -60.4 -40.2 43.8 52.5 88.7 43 55 A D H ><5S+ 0 0 110 -4,-2.3 3,-1.2 -5,-0.2 -1,-0.2 0.917 110.5 48.0 -61.0 -43.0 43.8 55.2 86.1 44 56 A A H 3<5S+ 0 0 53 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.583 110.7 52.5 -77.8 -12.0 42.9 57.9 88.6 45 57 A X T 3<5S- 0 0 22 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.153 108.7-116.7-110.6 15.5 45.6 56.7 91.0 46 58 A D T < 5 + 0 0 93 -3,-1.2 -3,-0.1 1,-0.2 -4,-0.1 0.241 68.1 143.0 76.7 -18.7 48.5 56.8 88.6 47 59 A I < + 0 0 2 -5,-0.5 2,-0.3 -6,-0.2 -1,-0.2 -0.301 21.0 104.4 -65.1 133.8 48.9 53.0 89.0 48 60 A D + 0 0 97 -3,-0.1 3,-0.3 -2,-0.1 4,-0.3 -0.978 28.7 70.6-178.7-175.3 49.9 51.0 86.0 49 61 A G S S- 0 0 25 -2,-0.3 17,-1.3 1,-0.2 3,-0.3 -0.199 89.2 -52.9 84.6-167.6 52.6 49.1 84.1 50 62 A D S S+ 0 0 106 15,-0.2 -1,-0.2 1,-0.2 17,-0.0 0.589 129.5 52.7 -87.4 -10.7 54.4 45.8 84.5 51 63 A D S S+ 0 0 106 -3,-0.3 2,-0.3 13,-0.1 -1,-0.2 0.429 92.9 79.0-108.3 -1.4 55.5 46.5 88.1 52 64 A Q - 0 0 30 -3,-0.3 13,-2.1 -4,-0.3 14,-0.3 -0.789 68.2-156.7-103.1 155.5 52.1 47.4 89.6 53 65 A Y E - D 0 64A 21 -26,-0.4 -24,-0.8 -2,-0.3 2,-0.3 -0.845 20.0-174.7-136.0 164.2 49.7 44.7 90.6 54 66 A A E -cD 29 63A 0 9,-2.0 9,-1.9 -2,-0.3 2,-0.5 -0.925 18.7-143.2-157.7 130.6 46.1 43.7 91.3 55 67 A I E -cD 30 62A 0 -26,-2.1 -24,-2.0 -2,-0.3 7,-0.2 -0.867 31.8-179.8 -91.0 127.0 44.3 40.6 92.5 56 68 A T E >>> + D 0 61A 0 5,-2.1 5,-1.5 -2,-0.5 3,-1.0 -0.753 53.1 38.4-122.9 172.7 41.0 40.1 90.7 57 69 A F G >45S- 0 0 0 -24,-2.3 3,-1.2 -2,-0.2 -25,-0.3 0.888 130.6 -63.4 51.8 43.3 38.2 37.6 90.8 58 70 A N G 345S- 0 0 29 -27,-2.4 -1,-0.2 1,-0.3 -26,-0.1 0.814 105.6 -44.4 54.0 34.0 38.6 37.3 94.6 59 71 A G G <45S+ 0 0 0 -3,-1.0 -1,-0.3 -28,-0.4 124,-0.2 0.602 109.5 117.6 89.6 11.9 42.1 36.0 94.3 60 72 A S T <<5S+ 0 0 0 -3,-1.2 13,-2.9 -4,-0.7 2,-0.3 0.600 87.6 24.6 -80.0 -10.7 41.3 33.5 91.5 61 73 A V E < -DE 56 72A 0 -5,-1.5 -5,-2.1 11,-0.2 -2,-0.4 -0.988 61.7-169.6-151.7 138.1 43.8 35.6 89.5 62 74 A A E +DE 55 71A 0 9,-1.8 8,-3.5 -2,-0.3 9,-1.2 -0.978 25.0 162.4-123.0 145.2 46.7 38.0 90.2 63 75 A Q E -DE 54 69A 7 -9,-1.9 -9,-2.0 -2,-0.4 2,-0.3 -0.983 41.0 -97.3-156.2 164.1 48.2 40.1 87.5 64 76 A T E > -D 53 0A 8 4,-2.1 3,-3.1 -2,-0.3 -11,-0.3 -0.649 43.1-113.5 -82.6 145.4 50.3 43.1 86.5 65 77 A I T 3 S+ 0 0 9 -13,-2.1 -15,-0.2 1,-0.3 -16,-0.2 0.734 119.0 61.2 -51.5 -22.3 48.3 46.2 85.7 66 78 A S T 3 S- 0 0 63 -17,-1.3 -1,-0.3 -14,-0.3 -16,-0.1 0.669 125.0-100.8 -84.1 -16.3 49.5 45.8 82.1 67 79 A G S < S+ 0 0 29 -3,-3.1 -2,-0.1 1,-0.3 2,-0.1 0.104 71.3 138.9 131.7 -25.3 47.8 42.5 82.0 68 80 A K - 0 0 152 -5,-0.1 -4,-2.1 1,-0.1 -1,-0.3 -0.322 52.8-127.0 -58.5 123.6 50.1 39.5 82.4 69 81 A V E -E 63 0A 47 -6,-0.2 -6,-0.3 1,-0.2 3,-0.1 -0.553 27.5-177.3 -68.0 133.1 48.4 36.9 84.6 70 82 A L E - 0 0 40 -8,-3.5 2,-0.3 1,-0.5 -7,-0.2 0.830 65.8 -1.5-104.7 -48.0 50.9 36.1 87.4 71 83 A T E -E 62 0A 22 -9,-1.2 -9,-1.8 2,-0.0 -1,-0.5 -0.908 68.0-173.0-133.3 165.1 49.0 33.4 89.3 72 84 A N E -E 61 0A 72 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.950 20.4-167.5-163.2 145.7 45.6 31.7 88.7 73 85 A H + 0 0 33 -13,-2.9 106,-0.5 -2,-0.3 2,-0.2 -0.877 34.0 167.9-133.6 96.8 43.2 29.3 90.3 74 86 A S - 0 0 26 -2,-0.4 2,-0.3 104,-0.1 65,-0.2 -0.508 39.9-101.3-111.8 170.9 40.5 28.4 87.8 75 87 A L - 0 0 8 63,-2.1 63,-0.5 -2,-0.2 65,-0.1 -0.736 45.9-116.1 -84.5 142.7 37.7 25.9 87.3 76 88 A T > - 0 0 71 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.230 24.0-107.3 -71.4 167.9 38.7 23.0 84.9 77 89 A Y H > S+ 0 0 23 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.884 123.1 54.6 -64.6 -37.7 37.0 22.5 81.5 78 90 A E H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.851 105.5 54.5 -63.0 -34.1 35.2 19.5 82.9 79 91 A D H > S+ 0 0 26 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.945 106.8 50.0 -61.0 -49.3 33.9 21.8 85.7 80 92 A Y H X S+ 0 0 5 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.912 109.1 52.8 -56.1 -43.6 32.5 24.2 83.2 81 93 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.931 112.2 44.3 -58.1 -48.4 30.8 21.3 81.4 82 94 A D H X S+ 0 0 31 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.957 116.6 44.8 -60.6 -55.3 29.1 20.1 84.6 83 95 A L H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 3,-0.2 0.907 116.1 46.8 -55.5 -46.8 28.1 23.6 85.8 84 96 A E H X S+ 0 0 10 -4,-3.0 4,-1.4 -5,-0.3 -1,-0.2 0.877 109.0 53.5 -69.2 -38.8 26.8 24.5 82.3 85 97 A A H X S+ 0 0 6 -4,-2.5 4,-1.2 -5,-0.3 -1,-0.2 0.784 109.8 49.8 -66.0 -26.2 24.9 21.3 81.8 86 98 A W H X S+ 0 0 28 -4,-1.4 4,-2.5 -3,-0.2 -2,-0.2 0.841 101.6 62.2 -80.3 -34.1 23.2 22.0 85.2 87 99 A A H <>S+ 0 0 2 -4,-1.8 5,-2.5 1,-0.2 4,-0.4 0.875 108.5 42.9 -53.7 -39.7 22.3 25.5 84.1 88 100 A R H <5S+ 0 0 22 -4,-1.4 3,-0.2 3,-0.2 -1,-0.2 0.846 110.7 55.0 -79.7 -33.3 20.2 24.1 81.3 89 101 A K H <5S+ 0 0 57 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.931 117.6 35.6 -60.3 -46.8 18.7 21.3 83.4 90 102 A V T <5S- 0 0 34 -4,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.389 111.4-121.9 -95.6 -0.0 17.4 23.9 85.9 91 103 A R T 5 + 0 0 157 -4,-0.4 2,-0.4 -3,-0.2 -3,-0.2 0.861 61.4 135.5 66.8 44.5 16.7 26.6 83.3 92 104 A A < - 0 0 8 -5,-2.5 -1,-0.2 -6,-0.1 53,-0.1 -0.929 58.9-104.4-120.8 146.3 18.8 29.4 84.5 93 105 A H - 0 0 48 -2,-0.4 51,-1.4 51,-0.3 2,-0.4 -0.315 40.7-160.9 -65.1 153.4 21.1 31.7 82.4 94 106 A F E +G 143 0B 8 49,-0.3 11,-0.6 2,-0.0 12,-0.4 -0.997 16.7 167.4-148.6 132.3 24.8 31.0 82.7 95 107 A Q E -GH 142 104B 0 47,-2.4 47,-3.2 -2,-0.4 2,-0.4 -0.951 17.7-149.6-139.7 159.8 28.0 32.8 82.1 96 108 A I E -GH 141 103B 2 7,-2.3 7,-3.0 -2,-0.3 2,-0.4 -0.988 14.5-138.8-128.7 143.6 31.7 32.5 82.8 97 109 A E E -GH 140 102B 0 43,-3.3 43,-1.7 -2,-0.4 42,-1.4 -0.861 18.4-178.2-104.7 139.3 34.3 35.2 83.3 98 110 A T - 0 0 2 3,-2.0 40,-0.1 -2,-0.4 38,-0.0 -0.805 46.7 -99.6-123.3 159.2 37.8 35.1 81.9 99 111 A P S S+ 0 0 18 0, 0.0 -63,-0.2 0, 0.0 -64,-0.2 0.750 123.7 24.9 -55.5 -19.7 40.5 37.7 82.3 100 112 A D S S+ 0 0 105 1,-0.3 23,-0.4 -65,-0.1 2,-0.3 0.654 125.0 21.7-112.9 -24.5 39.6 39.0 78.8 101 113 A Y - 0 0 78 21,-0.1 -3,-2.0 23,-0.0 2,-0.4 -0.990 57.3-127.5-149.7 150.0 36.0 38.1 78.1 102 114 A I E -Hi 97 124B 0 21,-2.2 23,-3.1 -2,-0.3 2,-0.4 -0.831 35.0-159.9 -89.3 136.3 32.6 37.1 79.4 103 115 A Y E +Hi 96 125B 17 -7,-3.0 -7,-2.3 -2,-0.4 2,-0.3 -0.975 17.6 163.4-120.2 133.4 31.4 33.9 77.8 104 116 A T E -Hi 95 126B 3 21,-1.1 23,-2.0 -2,-0.4 -9,-0.2 -0.996 33.0-156.8-142.7 153.2 27.8 32.7 77.5 105 117 A A + 0 0 11 -11,-0.6 2,-0.7 -2,-0.3 24,-0.2 0.248 60.6 121.4-104.6 8.4 26.0 30.1 75.4 106 118 A N - 0 0 33 -12,-0.4 3,-0.2 1,-0.2 534,-0.2 -0.631 43.5-170.9 -73.6 112.6 22.7 31.9 76.1 107 119 A K S S+ 0 0 9 -2,-0.7 533,-3.3 1,-0.3 2,-1.1 0.846 89.4 53.5 -75.0 -32.6 21.2 32.9 72.7 108 120 A D B S-M 639 0C 74 531,-0.2 -1,-0.3 -3,-0.1 531,-0.2 -0.778 100.6-145.6 -94.2 84.3 18.7 34.9 74.6 109 121 A I - 0 0 3 -2,-1.1 529,-0.5 529,-0.9 -2,-0.1 -0.269 15.3-109.1 -61.0 130.3 21.2 36.8 76.6 110 122 A S >> - 0 0 6 1,-0.1 4,-1.6 34,-0.1 3,-0.7 -0.286 14.0-130.0 -59.7 135.7 20.3 37.7 80.2 111 123 A A H 3> S+ 0 0 33 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.839 112.2 56.9 -50.3 -34.1 19.5 41.4 80.9 112 124 A Y H 3> S+ 0 0 49 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.825 99.2 56.2 -72.6 -33.6 21.9 40.8 83.8 113 125 A T H <> S+ 0 0 0 -3,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.871 108.9 47.6 -64.5 -37.6 24.8 39.7 81.6 114 126 A I H X S+ 0 0 4 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.890 111.2 52.4 -69.0 -36.4 24.5 43.0 79.7 115 127 A A H X S+ 0 0 22 -4,-1.7 4,-2.9 -5,-0.2 5,-0.3 0.985 113.3 42.9 -58.8 -59.3 24.4 44.8 83.0 116 128 A E H X S+ 0 0 21 -4,-3.1 4,-2.9 1,-0.2 5,-0.4 0.939 112.5 52.9 -49.0 -58.0 27.6 43.0 84.1 117 129 A S H X>S+ 0 0 4 -4,-2.8 5,-1.3 1,-0.2 4,-0.7 0.895 116.4 39.4 -47.0 -48.7 29.4 43.5 80.8 118 130 A Y H <5S+ 0 0 95 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.897 118.2 44.5 -72.2 -44.6 28.7 47.2 80.8 119 131 A L H <5S+ 0 0 105 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.876 121.0 39.8 -71.8 -36.7 29.3 48.0 84.4 120 132 A V H <5S- 0 0 6 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.542 106.6-129.7 -90.0 -10.7 32.4 45.9 84.6 121 133 A R T <5 + 0 0 173 -4,-0.7 2,-0.5 -5,-0.4 -3,-0.2 0.742 60.2 134.8 72.9 25.7 33.6 47.1 81.2 122 134 A X < - 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