==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-FEB-12 4DWO . COMPND 2 MOLECULE: HALOACID DEHALOGENASE-LIKE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR M.W.VETTING,S.R.WASSERMAN,L.L.MORISCO,S.SOJITRA,K.N.ALLEN,D. . 268 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11485.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 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 . 13 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 3.7 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 0 2 0 0 1 3 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 . 0 0 2 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 0 0 0 1 0 1 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 2 A K 0 0 184 0, 0.0 2,-0.2 0, 0.0 210,-0.0 0.000 360.0 360.0 360.0 -89.2 16.5 12.3 -5.3 2 3 A Y + 0 0 32 1,-0.1 211,-0.2 263,-0.1 210,-0.1 -0.460 360.0 166.9 -74.6 139.0 16.0 11.3 -1.7 3 4 A K + 0 0 91 209,-3.0 34,-2.3 1,-0.3 2,-0.4 0.446 57.5 44.9-127.8 -7.1 18.1 13.1 0.9 4 5 A L E -ab 37 213A 0 208,-1.5 210,-2.6 32,-0.2 2,-0.4 -0.999 54.5-160.4-147.4 138.5 16.6 12.3 4.3 5 6 A I E -ab 38 214A 1 32,-2.5 34,-2.6 -2,-0.4 2,-0.5 -0.986 8.3-163.5-120.2 128.2 15.4 9.1 6.1 6 7 A V E -ab 39 215A 0 208,-2.9 210,-2.6 -2,-0.4 2,-0.5 -0.960 11.1-168.6-111.2 126.1 13.0 9.3 9.1 7 8 A L E -ab 40 216A 0 32,-2.8 34,-2.7 -2,-0.5 210,-0.2 -0.968 18.3-142.7-119.9 130.5 12.6 6.2 11.2 8 9 A D > - 0 0 6 208,-2.2 5,-1.3 -2,-0.5 34,-0.2 -0.396 20.0-147.1 -66.0 158.6 10.2 5.3 14.0 9 10 A L I > >S+ 0 0 0 32,-0.4 3,-2.0 3,-0.2 5,-1.9 0.877 71.3 60.0 -94.2 -73.7 11.9 3.3 16.8 10 11 A D I 3 5S+ 0 0 33 1,-0.3 209,-0.2 2,-0.2 208,-0.2 -0.399 124.5 3.0 -71.5 124.5 9.7 0.8 18.5 11 12 A G I 3 5S+ 0 0 10 3,-0.4 242,-0.3 4,-0.3 -1,-0.3 0.465 136.0 51.9 85.1 -3.2 8.5 -1.8 16.0 12 13 A T I < 5S+ 0 0 0 -3,-2.0 246,-0.4 3,-0.1 -3,-0.2 0.467 117.7 14.5-127.6 -80.7 10.5 -0.2 13.2 13 14 A L I - 0 0 30 4,-2.6 3,-2.3 -2,-0.2 -4,-0.3 -0.098 44.7 -77.3 -82.3-171.3 13.9 -5.5 16.9 16 17 A S T 3 S+ 0 0 87 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.684 134.3 56.8 -65.9 -21.2 11.8 -7.4 19.5 17 18 A K T 3 S- 0 0 153 2,-0.2 -1,-0.3 237,-0.0 3,-0.1 0.348 117.2-117.2 -84.6 3.4 14.7 -7.2 21.9 18 19 A K S < S+ 0 0 82 -3,-2.3 2,-0.2 1,-0.3 -2,-0.1 0.714 77.6 120.9 60.0 29.5 14.5 -3.3 21.5 19 20 A E - 0 0 101 -6,-0.0 -4,-2.6 33,-0.0 2,-0.6 -0.700 68.8-113.5-113.3 163.7 18.0 -3.4 20.0 20 21 A I - 0 0 9 -2,-0.2 -6,-0.1 -6,-0.2 -7,-0.1 -0.887 35.0-127.4 -96.6 125.6 19.4 -2.3 16.7 21 22 A S > - 0 0 23 -2,-0.6 4,-2.8 -8,-0.5 5,-0.2 -0.283 18.9-115.1 -67.9 159.5 20.7 -5.2 14.7 22 23 A S H > S+ 0 0 70 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.887 116.9 53.2 -62.6 -36.7 24.2 -5.0 13.3 23 24 A R H > S+ 0 0 74 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.945 111.2 44.0 -63.9 -45.3 22.8 -5.0 9.7 24 25 A N H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.930 115.7 49.5 -64.6 -42.0 20.5 -2.0 10.4 25 26 A R H X S+ 0 0 70 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.931 114.4 43.1 -61.7 -46.6 23.3 -0.2 12.3 26 27 A E H X S+ 0 0 124 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.890 114.2 49.3 -73.8 -36.0 25.9 -0.7 9.5 27 28 A T H X S+ 0 0 11 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.896 113.2 48.4 -68.7 -38.7 23.5 0.1 6.7 28 29 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.880 111.2 48.5 -71.5 -34.3 22.4 3.3 8.5 29 30 A I H X S+ 0 0 44 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.937 113.7 50.0 -66.6 -45.3 26.0 4.4 9.2 30 31 A R H X S+ 0 0 97 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.918 108.7 48.4 -56.3 -46.3 26.9 3.8 5.6 31 32 A I H <>S+ 0 0 3 -4,-2.4 5,-2.4 1,-0.2 -1,-0.2 0.859 113.3 49.3 -70.7 -30.1 24.0 5.7 4.1 32 33 A Q H ><5S+ 0 0 6 -4,-1.7 3,-2.1 3,-0.2 -1,-0.2 0.913 108.0 52.8 -68.2 -41.6 24.9 8.6 6.4 33 34 A E H 3<5S+ 0 0 104 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.892 106.1 56.7 -63.0 -30.5 28.5 8.5 5.4 34 35 A Q T 3<5S- 0 0 71 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.479 130.7 -95.4 -77.2 -3.1 27.2 8.6 1.8 35 36 A G T < 5S+ 0 0 56 -3,-2.1 2,-0.4 1,-0.3 -3,-0.2 0.499 80.3 131.6 107.5 0.6 25.4 11.9 2.6 36 37 A I < - 0 0 22 -5,-2.4 -1,-0.3 -6,-0.1 2,-0.3 -0.768 51.3-134.3 -85.1 132.2 21.9 10.9 3.5 37 38 A R E -a 4 0A 78 -34,-2.3 -32,-2.5 -2,-0.4 2,-0.4 -0.687 16.5-145.2 -89.7 143.9 20.6 12.6 6.7 38 39 A L E -a 5 0A 1 -2,-0.3 26,-2.2 23,-0.3 2,-0.4 -0.855 11.6-168.3-112.6 142.2 18.8 10.5 9.3 39 40 A V E -ac 6 64A 0 -34,-2.6 -32,-2.8 -2,-0.4 2,-0.5 -0.999 9.8-154.3-123.8 131.5 16.0 11.5 11.7 40 41 A L E -ac 7 65A 0 24,-2.2 26,-3.4 -2,-0.4 2,-0.5 -0.924 17.4-172.1-101.4 126.1 14.8 9.4 14.6 41 42 A A E + c 0 66A 0 -34,-2.7 -32,-0.4 -2,-0.5 2,-0.3 -0.960 19.1 140.4-127.1 120.4 11.1 10.2 15.3 42 43 A S - 0 0 2 24,-2.5 27,-2.2 -2,-0.5 28,-0.5 -0.971 60.2-120.3-154.1 158.0 9.5 8.7 18.4 43 44 A G S S+ 0 0 9 -2,-0.3 25,-0.1 25,-0.3 24,-0.1 0.680 82.4 110.7 -69.1 -23.8 7.1 9.3 21.3 44 45 A R S S- 0 0 19 24,-0.1 24,-2.8 23,-0.1 25,-0.3 -0.131 80.8-102.8 -50.7 147.9 10.0 8.6 23.6 45 46 A P >> - 0 0 0 0, 0.0 3,-1.6 0, 0.0 4,-0.5 -0.352 40.5-104.4 -63.1 155.1 11.6 11.4 25.7 46 47 A T H >> S+ 0 0 23 1,-0.3 4,-2.2 2,-0.2 3,-1.8 0.877 121.3 60.3 -51.7 -41.4 14.9 12.6 24.3 47 48 A Y H 34 S+ 0 0 107 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.784 102.0 54.1 -59.5 -28.0 16.9 10.7 26.9 48 49 A G H <4 S+ 0 0 2 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.583 112.6 42.4 -82.1 -11.1 15.3 7.4 25.6 49 50 A I H XX S+ 0 0 0 -3,-1.8 4,-2.1 -4,-0.5 3,-0.9 0.721 93.7 82.2-104.9 -30.5 16.4 8.1 22.0 50 51 A V H 3X S+ 0 0 33 -4,-2.2 4,-2.8 1,-0.3 5,-0.3 0.845 86.2 53.8 -47.1 -49.4 19.9 9.3 22.7 51 52 A P H 3> S+ 0 0 66 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.877 112.2 46.4 -57.5 -37.0 21.7 5.9 23.1 52 53 A L H <> S+ 0 0 14 -3,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.896 111.0 51.3 -71.5 -41.0 20.3 4.9 19.7 53 54 A A H <>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 6,-0.3 0.901 112.6 46.8 -61.2 -40.8 21.3 8.2 18.0 54 55 A N H ><5S+ 0 0 74 -4,-2.8 3,-1.4 3,-0.2 -1,-0.2 0.875 108.0 55.0 -68.8 -40.1 24.8 7.8 19.4 55 56 A E H 3<5S+ 0 0 71 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.883 110.1 47.7 -57.6 -36.2 25.0 4.1 18.2 56 57 A L T 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.390 110.7-126.8 -86.8 4.7 24.1 5.3 14.7 57 58 A R T X 5 + 0 0 110 -3,-1.4 3,-2.1 1,-0.1 4,-0.5 0.759 55.4 153.5 55.7 33.3 26.7 8.1 15.0 58 59 A M G > X + 0 0 0 -5,-2.5 5,-2.7 1,-0.3 3,-0.7 0.738 64.3 67.7 -65.2 -21.1 24.1 10.7 14.1 59 60 A N G 3 5S+ 0 0 53 -6,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.649 103.1 47.1 -69.9 -16.9 26.1 13.3 16.0 60 61 A E G < 5S+ 0 0 88 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.542 115.2 42.8 -97.7 -10.8 28.8 12.8 13.2 61 62 A F T < 5S- 0 0 58 -3,-0.7 -23,-0.3 -4,-0.5 -2,-0.2 -0.050 114.1 -98.0-134.2 26.1 26.5 13.1 10.2 62 63 A G T 5 + 0 0 4 -3,-0.2 -3,-0.2 1,-0.1 -4,-0.1 0.824 63.7 168.0 64.6 34.1 24.1 15.9 10.9 63 64 A G < - 0 0 0 -5,-2.7 13,-2.9 -6,-0.1 14,-0.7 -0.304 23.2-139.8 -79.6 166.2 21.2 13.8 12.2 64 65 A F E -cD 39 75A 2 -26,-2.2 -24,-2.2 11,-0.2 2,-0.5 -0.953 1.7-147.3-124.4 146.9 18.1 15.0 14.0 65 66 A I E -cD 40 74A 0 9,-2.4 9,-2.3 -2,-0.4 2,-0.7 -0.950 5.6-167.8-109.7 129.0 16.0 13.6 16.9 66 67 A L E +cD 41 73A 0 -26,-3.4 -24,-2.5 -2,-0.5 3,-0.3 -0.948 26.1 174.2-109.3 101.1 12.3 14.2 16.9 67 68 A S E >>> + D 0 72A 0 5,-2.0 5,-1.8 -2,-0.7 3,-1.7 -0.590 48.7 35.8-107.8 170.7 11.3 13.3 20.5 68 69 A Y G >45S- 0 0 25 -24,-2.8 3,-1.3 1,-0.3 -25,-0.3 0.880 134.9 -56.6 53.9 41.5 8.1 13.5 22.5 69 70 A N G 345S- 0 0 5 -27,-2.2 -1,-0.3 -3,-0.3 129,-0.2 0.608 112.2 -42.8 73.5 12.5 6.0 12.7 19.4 70 71 A G G <45S+ 0 0 0 -3,-1.7 -1,-0.3 -28,-0.5 -2,-0.2 0.335 107.9 121.9 109.4 -3.5 7.5 15.7 17.6 71 72 A G T <<5S+ 0 0 0 -3,-1.3 14,-1.3 -4,-0.6 2,-0.4 0.763 78.3 34.6 -66.7 -25.9 7.4 18.1 20.5 72 73 A E E < -DE 67 84A 34 -5,-1.8 -5,-2.0 12,-0.2 2,-0.4 -0.997 63.5-170.3-128.4 141.9 11.1 18.6 20.3 73 74 A I E -DE 66 83A 0 10,-2.6 9,-2.4 -2,-0.4 10,-1.4 -0.996 13.4-180.0-125.6 124.6 13.5 18.6 17.4 74 75 A I E -DE 65 81A 17 -9,-2.3 -9,-2.4 -2,-0.4 2,-0.7 -0.976 31.2-130.1-124.7 137.8 17.2 18.7 18.1 75 76 A N E > -D 64 0A 28 5,-2.6 4,-2.3 -2,-0.4 5,-0.3 -0.776 22.6-156.1 -79.3 116.3 20.1 18.7 15.7 76 77 A W T 4 S+ 0 0 21 -13,-2.9 -12,-0.2 -2,-0.7 -1,-0.2 0.692 86.3 51.8 -79.1 -14.4 22.1 15.9 17.1 77 78 A E T 4 S+ 0 0 106 -14,-0.7 -1,-0.2 -19,-0.1 -18,-0.1 0.937 124.8 23.6 -81.0 -48.9 25.5 17.1 15.7 78 79 A S T 4 S- 0 0 69 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.693 95.5-133.7 -85.1 -17.4 25.3 20.7 17.0 79 80 A K < + 0 0 96 -4,-2.3 2,-0.4 1,-0.3 -3,-0.2 0.552 52.5 152.6 65.3 16.4 22.9 19.9 19.9 80 81 A E - 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0 0 27 -5,-2.1 2,-0.3 -6,-0.2 -1,-0.2 -0.789 47.3-134.3-117.7 154.4 14.0 20.4 1.9 209 210 A T > - 0 0 72 -2,-0.3 3,-1.8 1,-0.1 21,-0.1 -0.713 25.3-114.2-106.8 164.5 10.8 19.2 0.3 210 211 A R G > S+ 0 0 106 1,-0.3 20,-2.6 -2,-0.3 3,-1.8 0.811 112.4 68.2 -74.0 -18.9 8.7 16.2 1.3 211 212 A E G 3 S+ 0 0 104 1,-0.3 -1,-0.3 18,-0.2 18,-0.0 0.732 96.0 58.2 -66.9 -16.6 9.4 14.5 -2.1 212 213 A E G < S+ 0 0 38 -3,-1.8 -209,-3.0 -210,-0.1 -208,-1.5 0.293 94.9 89.2 -92.2 5.9 13.0 14.2 -0.8 213 214 A V E < -b 4 0A 0 -3,-1.8 18,-2.1 -211,-0.2 17,-0.6 -0.908 54.5-161.6-117.6 138.0 12.1 12.2 2.3 214 215 A I E -bf 5 231A 0 -210,-2.6 -208,-2.9 -2,-0.4 2,-0.4 -0.940 15.4-170.8-104.4 129.5 11.7 8.5 3.1 215 216 A A E -bf 6 232A 0 16,-2.3 18,-3.3 -2,-0.5 2,-0.4 -0.995 1.2-170.0-122.6 136.5 9.7 7.8 6.3 216 217 A I E +bf 7 233A 0 -210,-2.6 -208,-2.2 -2,-0.4 2,-0.3 -0.982 21.3 134.0-127.2 129.5 9.4 4.3 7.8 217 218 A G E - f 0 234A 0 16,-2.2 18,-2.5 -2,-0.4 21,-0.1 -0.937 38.1-151.1-160.3-174.3 7.1 3.2 10.6 218 219 A D + 0 0 29 -2,-0.3 21,-2.0 -208,-0.2 24,-0.2 0.639 65.6 73.1-133.5 -39.0 4.6 0.7 11.8 219 220 A G S > S- 0 0 12 -209,-0.2 3,-2.1 19,-0.2 4,-0.3 -0.288 85.2-105.4 -93.2 165.4 2.0 2.1 14.1 220 221 A Y G > S+ 0 0 126 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.820 119.3 66.3 -58.1 -28.4 -1.0 4.3 13.6 221 222 A N G 3 S+ 0 0 55 1,-0.3 -26,-0.4 2,-0.1 -1,-0.3 0.603 101.1 49.7 -69.2 -8.7 1.1 7.1 15.1 222 223 A D G <> S+ 0 0 0 -3,-2.1 4,-2.2 2,-0.1 -1,-0.3 0.448 83.6 92.8-100.5 -5.0 3.3 6.9 12.0 223 224 A L H <> S+ 0 0 53 -3,-1.5 4,-2.3 -4,-0.3 5,-0.2 0.922 84.7 50.5 -57.0 -49.1 0.4 7.0 9.5 224 225 A S H > S+ 0 0 42 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.914 112.4 44.8 -61.5 -38.6 0.6 10.8 9.0 225 226 A M H > S+ 0 0 0 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.860 110.5 54.5 -75.7 -30.4 4.3 10.9 8.4 226 227 A I H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.905 112.8 44.2 -68.4 -36.0 4.2 7.9 6.0 227 228 A K H < S+ 0 0 142 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.902 114.5 49.9 -69.5 -41.6 1.6 9.7 4.0 228 229 A F H < S+ 0 0 53 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.897 95.1 84.2 -66.2 -42.4 3.5 13.0 4.1 229 230 A A S < S- 0 0 3 -4,-2.4 3,-0.4 -5,-0.1 -18,-0.2 -0.257 83.4-125.7 -62.8 147.2 6.8 11.6 3.0 230 231 A G S S+ 0 0 29 -20,-2.6 2,-0.5 -17,-0.6 -16,-0.2 0.882 109.1 30.7 -55.0 -41.0 7.6 11.2 -0.7 231 232 A M E S-f 214 0A 38 -18,-2.1 -16,-2.3 -21,-0.3 2,-0.5 -0.920 80.1-171.6-125.0 98.8 8.4 7.6 -0.0 232 233 A G E -f 215 0A 0 -2,-0.5 15,-2.5 -3,-0.4 16,-1.5 -0.852 5.9-165.7 -91.9 124.0 6.3 6.2 2.9 233 234 A V E -fg 216 248A 0 -18,-3.3 -16,-2.2 -2,-0.5 2,-0.5 -0.939 6.6-156.5-117.7 125.0 7.3 2.7 4.0 234 235 A A E -fg 217 249A 0 14,-2.5 16,-2.7 -2,-0.5 -16,-0.2 -0.860 22.8-121.9 -93.9 135.0 5.3 0.5 6.3 235 236 A M > - 0 0 0 -18,-2.5 3,-2.2 -2,-0.5 17,-0.2 -0.284 26.4-112.4 -65.1 155.4 7.0 -2.2 8.2 236 237 A G T 3 S+ 0 0 18 15,-2.2 16,-0.3 1,-0.3 -1,-0.1 0.808 121.3 52.6 -63.2 -20.6 5.8 -5.8 7.6 237 238 A N T 3 S+ 0 0 58 14,-0.3 -1,-0.3 -226,-0.2 -19,-0.1 0.308 88.3 124.4 -94.1 11.1 4.4 -5.8 11.2 238 239 A A S < S- 0 0 8 -3,-2.2 -19,-0.2 -21,-0.1 -20,-0.1 -0.256 74.1 -88.9 -69.6 158.9 2.5 -2.5 10.6 239 240 A Q >> - 0 0 93 -21,-2.0 4,-2.1 1,-0.1 3,-0.7 -0.327 42.5-113.5 -56.5 145.6 -1.2 -2.0 11.1 240 241 A E H 3> S+ 0 0 101 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.871 116.1 50.3 -58.0 -42.7 -3.1 -2.9 7.9 241 242 A P H 3> S+ 0 0 58 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.832 109.6 53.7 -67.3 -25.0 -4.4 0.7 7.2 242 243 A V H <> S+ 0 0 0 -3,-0.7 4,-1.1 2,-0.2 -2,-0.2 0.909 108.5 48.7 -69.7 -43.5 -0.8 1.8 7.6 243 244 A K H >< S+ 0 0 48 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.921 110.6 51.1 -60.6 -41.3 0.3 -0.8 5.0 244 245 A K H 3< S+ 0 0 155 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.842 110.9 48.0 -67.2 -34.0 -2.5 0.4 2.6 245 246 A A H 3< S+ 0 0 31 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.679 96.7 93.0 -75.6 -22.0 -1.4 4.1 2.9 246 247 A A S << S- 0 0 16 -4,-1.1 -13,-0.2 -3,-0.5 3,-0.1 -0.295 71.3-140.0 -75.3 159.8 2.3 3.3 2.4 247 248 A D S S+ 0 0 99 -15,-2.5 2,-0.3 1,-0.3 -14,-0.2 0.706 90.7 17.9 -85.1 -22.2 4.0 3.4 -1.0 248 249 A Y E -g 233 0A 79 -16,-1.5 -14,-2.5 -5,-0.0 2,-0.5 -0.996 65.5-146.8-149.9 141.8 6.0 0.3 -0.1 249 250 A I E -g 234 0A 78 -2,-0.3 -14,-0.2 -16,-0.2 2,-0.1 -0.958 23.0-172.2-115.0 127.2 5.7 -2.5 2.5 250 251 A T - 0 0 7 -16,-2.7 7,-0.1 -2,-0.5 8,-0.1 -0.248 32.2 -75.1-102.8-170.9 9.0 -3.9 3.8 251 252 A L - 0 0 71 6,-0.2 -15,-2.2 1,-0.2 -14,-0.3 -0.161 63.6 -75.7 -79.3 177.8 9.8 -6.9 6.1 252 253 A T > > - 0 0 36 -16,-0.3 5,-2.2 -17,-0.2 3,-0.8 -0.185 41.8-104.9 -72.3 167.9 9.3 -6.9 9.8 253 254 A N G > 5S+ 0 0 15 -242,-0.3 3,-1.7 1,-0.2 5,-0.2 0.942 125.4 52.0 -57.4 -41.4 11.4 -5.1 12.3 254 255 A D G 3 5S+ 0 0 84 1,-0.3 -1,-0.2 2,-0.1 -239,-0.1 0.681 105.8 55.9 -65.2 -19.8 12.9 -8.5 13.3 255 256 A E G < 5S- 0 0 100 -3,-0.8 -1,-0.3 -240,-0.0 -2,-0.2 0.113 121.2-105.8 -99.9 15.0 13.7 -9.2 9.6 256 257 A D T <>5 + 0 0 33 -3,-1.7 4,-2.6 -244,-0.1 5,-0.2 0.897 57.2 168.1 60.8 42.4 15.7 -5.9 9.2 257 258 A G H > S+ 0 0 0 -246,-0.4 4,-2.6 -5,-0.2 3,-0.2 0.980 111.4 41.1 -63.9 -51.8 14.6 -0.9 7.6 259 260 A A H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.883 112.4 56.4 -63.6 -37.8 17.8 -2.1 6.0 260 261 A E H X S+ 0 0 37 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.885 111.7 42.1 -64.6 -36.6 15.9 -4.1 3.4 261 262 A A H >X S+ 0 0 1 -4,-1.9 4,-1.4 -3,-0.2 3,-0.9 0.933 115.3 49.5 -72.1 -45.7 14.0 -1.0 2.2 262 263 A I H 3X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.3 3,-0.4 0.911 109.2 52.1 -63.0 -41.7 17.1 1.3 2.3 263 264 A E H 3< S+ 0 0 69 -4,-2.9 -1,-0.3 1,-0.2 5,-0.2 0.712 108.1 51.3 -67.8 -21.4 19.2 -1.1 0.3 264 265 A R H << S+ 0 0 154 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.703 116.3 41.4 -83.9 -25.2 16.5 -1.4 -2.4 265 266 A I H < S+ 0 0 53 -4,-1.4 2,-0.3 -3,-0.4 -2,-0.2 0.880 121.1 31.2 -89.9 -38.8 16.3 2.4 -2.7 266 267 A F S < S- 0 0 36 -4,-2.8 2,-0.9 -5,-0.2 -1,-0.1 -0.733 77.7-117.2-116.9 162.0 20.0 3.4 -2.5 267 268 A N 0 0 151 -2,-0.3 -4,-0.1 1,-0.2 -3,-0.1 -0.800 360.0 360.0-101.2 99.0 23.3 1.7 -3.5 268 269 A V 0 0 55 -2,-0.9 -1,-0.2 -5,-0.2 -5,-0.1 0.621 360.0 360.0 -87.1 360.0 25.2 1.2 -0.2