==== 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 HYDROLASE 25-JUN-09 3I10 . COMPND 2 MOLECULE: PUTATIVE GLYCEROPHOSPHORYL DIESTER PHOSPHODIESTER . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON VPI-5482; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 278 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12550.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 4.3 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 12 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.2 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 1 0 3 2 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 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 PARALLEL BRIDGES PER LADDER . 4 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 0 A G >> 0 0 77 0, 0.0 3,-1.2 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0-119.9 0.3 9.7 29.4 2 25 A H H 3> + 0 0 78 1,-0.3 4,-2.3 2,-0.2 3,-0.4 0.778 360.0 73.5 -60.2 -26.9 3.7 11.4 29.2 3 26 A V H 3> S+ 0 0 5 113,-2.2 4,-2.7 1,-0.2 -1,-0.3 0.867 91.9 55.2 -61.4 -32.5 2.2 14.3 27.3 4 27 A E H <> S+ 0 0 101 -3,-1.2 4,-1.5 112,-0.4 -1,-0.2 0.892 107.8 49.6 -64.9 -38.9 0.4 15.6 30.4 5 28 A T H X S+ 0 0 89 -4,-0.8 4,-0.9 -3,-0.4 3,-0.3 0.939 110.9 49.1 -63.4 -45.9 3.7 15.7 32.2 6 29 A I H >X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 3,-1.2 0.937 108.3 54.9 -57.9 -45.4 5.3 17.6 29.3 7 30 A K H 3X S+ 0 0 38 -4,-2.7 4,-2.5 1,-0.3 -1,-0.2 0.811 97.0 63.1 -63.2 -30.0 2.4 20.1 29.3 8 31 A N H 3< S+ 0 0 111 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.818 108.4 42.9 -69.4 -21.0 2.9 20.9 33.0 9 32 A T H X< S+ 0 0 37 -3,-1.2 3,-2.1 -4,-0.9 6,-0.3 0.900 111.8 53.6 -79.6 -45.0 6.3 22.3 32.0 10 33 A F H 3< S+ 0 0 3 -4,-2.1 210,-0.3 1,-0.3 -2,-0.2 0.860 110.4 48.6 -56.2 -34.6 4.9 24.1 28.9 11 34 A L T 3< S+ 0 0 83 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.281 94.0 87.0 -89.2 8.3 2.3 25.8 31.1 12 35 A N X - 0 0 64 -3,-2.1 3,-2.1 1,-0.1 -1,-0.1 -0.836 52.8-175.6-110.9 96.6 4.9 26.9 33.7 13 36 A P T 3 S+ 0 0 40 0, 0.0 204,-0.5 0, 0.0 206,-0.3 0.574 85.4 59.6 -68.1 -7.6 6.4 30.2 32.7 14 37 A K T 3 S+ 0 0 142 203,-0.2 -3,-0.0 204,-0.1 -5,-0.0 0.188 78.7 144.4 -96.4 8.9 8.8 30.0 35.6 15 38 A S < - 0 0 7 -3,-2.1 202,-0.1 -6,-0.3 -6,-0.0 -0.237 38.4-167.6 -55.1 135.0 10.2 26.7 34.3 16 39 A N + 0 0 109 2,-0.0 2,-0.3 241,-0.0 -1,-0.1 0.251 68.0 88.1 -96.8 1.5 14.0 26.2 34.8 17 40 A K S S- 0 0 66 -8,-0.1 2,-0.5 240,-0.0 260,-0.2 -0.715 73.5-134.7-101.6 157.2 13.8 23.2 32.3 18 41 A V - 0 0 1 258,-2.6 240,-0.2 -2,-0.3 2,-0.2 -0.955 15.5-143.3-116.6 119.5 14.3 23.5 28.6 19 42 A L E -a 258 0A 5 238,-2.6 240,-2.4 -2,-0.5 2,-0.5 -0.595 12.1-135.9 -80.5 145.5 11.9 21.7 26.3 20 43 A V E -a 259 0A 0 -2,-0.2 28,-2.0 238,-0.2 27,-1.1 -0.903 12.0-163.2-105.9 128.1 13.1 20.1 23.0 21 44 A V E -ab 260 48A 0 238,-2.7 240,-2.4 -2,-0.5 2,-0.9 -0.947 11.7-146.7-106.9 120.9 11.2 20.5 19.8 22 45 A A E > -ab 261 49A 0 26,-2.5 28,-2.2 -2,-0.5 3,-1.9 -0.805 21.5-132.0 -86.8 107.0 12.1 18.0 17.0 23 46 A H E 3 S- b 0 50A 11 238,-2.2 4,-0.5 -2,-0.9 28,-0.1 -0.515 87.7 -9.3 -59.5 114.7 11.6 19.9 13.7 24 47 A R T 3 S- 0 0 26 26,-1.2 9,-2.4 -2,-0.4 10,-0.5 0.698 127.4 -70.8 66.7 26.1 9.6 17.7 11.3 25 48 A G S < S- 0 0 1 -3,-1.9 2,-1.8 25,-0.5 13,-0.2 -0.351 86.5 -41.4 81.1-178.8 10.0 14.9 13.8 26 49 A N >> + 0 0 5 11,-2.3 3,-2.0 1,-0.2 4,-0.7 -0.574 69.3 169.5 -83.4 79.0 13.4 13.1 14.4 27 50 A W T 34 + 0 0 50 -2,-1.8 68,-0.4 -4,-0.5 -1,-0.2 0.641 65.3 76.0 -68.9 -15.4 14.2 13.1 10.7 28 51 A R T 34 S+ 0 0 100 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.722 108.1 33.0 -66.3 -15.2 17.7 12.0 11.4 29 52 A S T <4 S+ 0 0 84 -3,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.556 133.3 3.4-112.9 -13.6 16.2 8.5 12.1 30 53 A A S < S- 0 0 8 -4,-0.7 -1,-0.3 7,-0.0 4,-0.1 -0.964 99.7 -57.0-163.3 166.7 13.3 8.4 9.6 31 54 A P > - 0 0 3 0, 0.0 3,-0.7 0, 0.0 6,-0.4 -0.160 64.0 -99.6 -57.8 143.4 11.8 10.5 6.8 32 55 A E T 3 S+ 0 0 29 61,-0.3 -7,-0.2 1,-0.2 -8,-0.1 -0.184 104.7 17.8 -55.0 151.3 10.8 14.1 7.8 33 56 A N T 3 S+ 0 0 5 -9,-2.4 2,-0.3 17,-0.2 -1,-0.2 0.898 99.3 125.3 54.0 40.3 7.1 14.6 8.5 34 57 A S S <> S- 0 0 2 -3,-0.7 4,-1.5 -10,-0.5 -1,-0.2 -0.906 74.3-119.1-122.9 159.7 6.4 10.9 8.9 35 58 A T H > S+ 0 0 44 68,-0.4 4,-2.9 -2,-0.3 5,-0.2 0.854 116.4 58.5 -66.2 -31.1 4.8 8.9 11.6 36 59 A A H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.866 104.0 50.6 -63.7 -38.9 8.1 7.0 12.0 37 60 A A H > S+ 0 0 0 -6,-0.4 -11,-2.3 2,-0.2 4,-1.8 0.838 111.1 49.3 -68.0 -32.1 9.9 10.3 12.7 38 61 A I H X S+ 0 0 0 -4,-1.5 4,-2.5 -13,-0.2 -2,-0.2 0.937 109.8 50.0 -68.6 -46.2 7.3 11.1 15.3 39 62 A D H X S+ 0 0 76 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.879 109.3 53.0 -63.6 -32.4 7.7 7.7 16.9 40 63 A S H X S+ 0 0 24 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.927 108.5 49.6 -65.0 -45.0 11.5 8.2 16.9 41 64 A A H <>S+ 0 0 0 -4,-1.8 5,-2.6 1,-0.2 4,-0.4 0.916 111.6 49.1 -57.7 -41.8 11.0 11.5 18.7 42 65 A I H ><5S+ 0 0 32 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.931 108.1 53.1 -63.5 -46.1 8.7 9.8 21.3 43 66 A A H 3<5S+ 0 0 85 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.837 110.5 48.5 -61.7 -29.5 11.2 7.0 21.9 44 67 A X T 3<5S- 0 0 44 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.448 116.5-114.1 -89.0 -1.7 13.9 9.6 22.6 45 68 A K T < 5 + 0 0 69 -3,-1.6 -3,-0.2 -4,-0.4 -25,-0.2 0.789 51.5 170.5 69.9 32.0 11.7 11.6 25.0 46 69 A V < - 0 0 1 -5,-2.6 -1,-0.2 -6,-0.2 -25,-0.1 -0.426 28.9-142.8 -63.3 148.9 11.5 14.7 22.9 47 70 A D S S+ 0 0 10 -27,-1.1 72,-2.3 1,-0.3 2,-0.4 0.847 74.3 15.0 -85.5 -41.2 8.9 17.1 24.3 48 71 A I E -bc 21 119A 0 -28,-2.0 -26,-2.5 70,-0.2 2,-0.5 -0.999 60.5-152.0-139.3 136.5 7.3 18.5 21.2 49 72 A V E -bc 22 120A 0 70,-2.7 72,-3.0 -2,-0.4 2,-0.4 -0.952 11.8-149.8-107.6 134.6 7.2 17.6 17.5 50 73 A E E -bc 23 121A 1 -28,-2.2 -26,-1.2 -2,-0.5 -25,-0.5 -0.875 20.1-179.1 -97.3 134.7 6.8 20.2 14.9 51 74 A I E - c 0 122A 0 70,-2.2 72,-2.5 -2,-0.4 2,-0.4 -0.990 20.7-132.0-137.8 144.9 5.1 19.0 11.7 52 75 A D E - c 0 123A 0 -2,-0.3 12,-2.1 70,-0.2 2,-0.3 -0.795 19.8-148.0-101.2 141.6 4.2 20.8 8.5 53 76 A I E +I 63 0B 2 70,-1.9 2,-0.3 -2,-0.4 10,-0.2 -0.848 17.2 173.7-114.6 141.9 0.7 20.6 6.9 54 77 A Q E -I 62 0B 25 8,-2.2 8,-2.7 -2,-0.3 2,-0.5 -0.947 25.4-127.7-135.3 161.3 -0.4 20.8 3.3 55 78 A K E -I 61 0B 72 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.926 19.4-138.1-116.2 130.4 -3.9 20.3 1.7 56 79 A T > - 0 0 5 4,-2.6 3,-2.1 -2,-0.5 24,-0.2 -0.217 33.2 -97.9 -78.6 171.8 -4.6 17.9 -1.1 57 80 A K T 3 S+ 0 0 136 25,-2.7 26,-0.2 22,-0.9 23,-0.1 0.890 127.0 51.8 -55.8 -40.9 -6.8 18.5 -4.2 58 81 A D T 3 S- 0 0 83 24,-0.4 -1,-0.3 2,-0.1 25,-0.1 0.251 123.8-104.5 -85.8 12.0 -9.6 16.6 -2.4 59 82 A G S < S+ 0 0 39 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.586 71.3 142.7 84.2 13.5 -9.2 18.8 0.7 60 83 A Q - 0 0 90 1,-0.0 -4,-2.6 47,-0.0 2,-0.5 -0.621 48.1-127.1 -89.2 147.0 -7.4 16.3 3.0 61 84 A L E +I 55 0B 12 -2,-0.3 46,-2.6 -6,-0.2 47,-0.4 -0.833 34.5 171.7-100.2 124.8 -4.7 17.5 5.4 62 85 A I E -IJ 54 106B 0 -8,-2.7 -8,-2.2 -2,-0.5 2,-0.6 -0.813 39.6-100.6-122.2 164.3 -1.3 15.7 5.1 63 86 A L E +I 53 0B 1 42,-2.4 -10,-0.3 -2,-0.3 2,-0.2 -0.795 63.4 130.7 -85.0 125.6 2.1 16.2 6.6 64 87 A X - 0 0 5 -12,-2.1 -2,-0.1 -2,-0.6 -31,-0.1 -0.816 41.5-158.4-174.4 130.7 4.3 17.8 4.0 65 88 A H S S+ 0 0 47 -2,-0.2 -12,-0.1 3,-0.1 -1,-0.1 0.955 75.2 58.2 -80.5 -56.9 6.6 20.8 4.2 66 89 A D S S- 0 0 36 2,-0.2 13,-0.1 1,-0.1 6,-0.0 -0.262 81.7-123.3 -74.6 161.3 6.9 21.9 0.6 67 90 A N S S+ 0 0 113 11,-0.1 12,-2.4 12,-0.1 13,-0.5 0.543 98.1 56.7 -71.2 -13.6 4.1 22.8 -1.8 68 91 A T B S-K 78 0C 48 10,-0.3 3,-0.3 11,-0.1 4,-0.3 -0.865 76.5-135.8-123.5 158.1 5.4 20.0 -4.0 69 92 A L S > S+ 0 0 0 8,-2.5 4,-1.7 -2,-0.3 6,-0.3 0.572 80.6 94.1 -82.4 -12.0 6.0 16.3 -3.7 70 93 A D T 4 S+ 0 0 63 7,-0.3 -1,-0.2 1,-0.2 8,-0.0 0.817 79.3 46.0 -62.7 -42.7 9.4 16.4 -5.4 71 94 A R T 4 S+ 0 0 112 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.877 124.6 24.9 -72.8 -39.3 11.9 16.7 -2.6 72 95 A T T 4 S+ 0 0 15 -3,-0.3 21,-2.7 -4,-0.3 2,-0.2 0.469 116.1 49.5-110.8 -6.0 10.6 14.1 -0.1 73 96 A T B < S-L 92 0D 0 -4,-1.7 19,-0.2 2,-0.3 30,-0.0 -0.781 80.9-109.3-128.7 173.6 8.7 11.6 -2.1 74 97 A T S S+ 0 0 61 17,-1.6 2,-0.2 -2,-0.2 18,-0.1 0.414 97.0 74.3 -79.6 1.9 8.8 9.4 -5.2 75 98 A G - 0 0 6 -6,-0.3 2,-0.3 16,-0.2 -2,-0.3 -0.524 68.0-143.1-108.1 179.1 6.3 11.7 -6.9 76 99 A K + 0 0 133 -2,-0.2 2,-0.2 -7,-0.1 -2,-0.0 -0.985 46.3 53.9-142.5 146.7 6.4 15.1 -8.4 77 100 A G S S- 0 0 27 -2,-0.3 -8,-2.5 5,-0.0 2,-0.3 -0.483 83.7 -40.0 120.2 172.7 4.0 18.1 -8.6 78 101 A E B > -K 68 0C 104 -10,-0.2 3,-2.1 -2,-0.2 4,-0.3 -0.543 42.9-134.6 -74.1 135.6 2.0 20.4 -6.5 79 102 A I G > S+ 0 0 0 -12,-2.4 3,-2.0 -2,-0.3 -22,-0.9 0.871 105.4 62.6 -52.0 -42.3 0.2 18.8 -3.5 80 103 A K G 3 S+ 0 0 147 -13,-0.5 -1,-0.3 1,-0.3 -21,-0.1 0.617 100.9 52.9 -64.2 -13.8 -3.0 20.8 -4.5 81 104 A N G < S+ 0 0 100 -3,-2.1 2,-0.4 2,-0.1 -1,-0.3 0.398 101.1 74.7 -97.1 -3.6 -3.1 18.9 -7.8 82 105 A W S < S- 0 0 68 -3,-2.0 -25,-2.7 -4,-0.3 -24,-0.4 -0.881 73.2-131.5-113.7 145.6 -3.0 15.5 -6.2 83 106 A T > - 0 0 36 -2,-0.4 4,-2.3 -27,-0.2 5,-0.2 -0.551 27.1-115.8 -84.8 158.7 -5.6 13.5 -4.4 84 107 A L H > S+ 0 0 26 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.922 113.9 55.4 -58.2 -43.9 -4.8 11.8 -1.0 85 108 A A H 4 S+ 0 0 64 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.886 110.1 45.0 -60.4 -37.7 -5.3 8.3 -2.5 86 109 A D H >4 S+ 0 0 65 1,-0.2 3,-1.2 2,-0.2 4,-0.4 0.885 110.6 53.7 -73.8 -37.8 -2.8 8.9 -5.2 87 110 A I H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 17,-0.4 0.881 102.2 60.9 -59.5 -37.6 -0.3 10.5 -2.8 88 111 A K T 3< S+ 0 0 54 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.592 94.1 63.2 -66.1 -14.0 -0.6 7.4 -0.7 89 112 A K T < S+ 0 0 145 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.614 93.1 80.9 -81.8 -17.9 0.7 5.3 -3.6 90 113 A L S < S- 0 0 19 -3,-1.6 2,-0.3 -4,-0.4 14,-0.2 -0.297 75.4-132.1 -78.7 173.2 4.1 7.2 -3.4 91 114 A K - 0 0 65 12,-0.1 -17,-1.6 -2,-0.1 2,-0.2 -0.936 16.2-114.5-127.2 151.3 6.9 6.5 -0.9 92 115 A L B -L 73 0D 4 10,-2.8 8,-2.7 -2,-0.3 10,-0.3 -0.597 22.3-135.7 -82.6 143.3 8.9 8.7 1.3 93 116 A K B -M 99 0E 67 -21,-2.7 -61,-0.3 -2,-0.2 6,-0.2 -0.748 19.8-129.4 -91.2 145.0 12.6 9.3 0.9 94 117 A D > - 0 0 43 4,-2.7 3,-2.3 -2,-0.3 -66,-0.1 -0.243 38.9 -84.7 -83.6 179.8 14.9 9.2 3.9 95 118 A K T 3 S+ 0 0 109 -68,-0.4 -1,-0.1 1,-0.3 -67,-0.1 0.688 131.6 52.2 -58.6 -23.5 17.5 11.9 4.8 96 119 A D T 3 S- 0 0 107 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.383 121.6-107.5 -93.2 0.8 20.0 10.2 2.5 97 120 A G S < S+ 0 0 41 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.503 71.2 144.1 85.1 6.4 17.5 10.2 -0.4 98 121 A K - 0 0 133 1,-0.1 -4,-2.7 -5,-0.0 2,-0.3 -0.579 55.5-114.4 -81.7 140.1 16.9 6.5 -0.3 99 122 A V B -M 93 0E 92 -2,-0.3 -6,-0.2 -6,-0.2 2,-0.2 -0.577 38.6-169.4 -73.8 130.3 13.4 5.3 -1.0 100 123 A T - 0 0 26 -8,-2.7 -1,-0.0 -2,-0.3 -70,-0.0 -0.425 35.2-111.4-106.1-176.9 11.7 3.8 2.0 101 124 A N S S+ 0 0 147 -2,-0.2 2,-0.2 -10,-0.1 -8,-0.1 0.278 82.3 111.1 -98.6 10.1 8.5 1.8 2.5 102 125 A Y - 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0 0 205 -5,-2.0 -4,-0.2 -4,-0.1 -3,-0.1 0.974 29.0-155.8 47.5 60.8 -1.3 35.7 27.8 193 216 A P - 0 0 7 0, 0.0 -23,-0.1 0, 0.0 -1,-0.1 -0.283 22.4-126.6 -66.8 156.7 0.1 32.8 25.7 194 217 A A S S+ 0 0 22 -25,-0.3 26,-2.9 1,-0.1 2,-0.3 0.789 89.8 5.6 -69.4 -27.4 2.1 30.0 27.2 195 218 A A E - g 0 220A 1 -26,-0.3 2,-0.4 24,-0.3 26,-0.2 -0.977 58.4-147.3-153.7 159.5 4.9 30.7 24.8 196 219 A F E - g 0 221A 0 24,-2.3 26,-2.9 -2,-0.3 2,-0.6 -0.996 16.7-139.9-129.0 133.2 6.2 32.9 22.1 197 220 A E E -fg 172 222A 9 -26,-3.0 -24,-2.9 -2,-0.4 2,-0.5 -0.875 24.0-162.9 -92.8 122.2 8.4 31.8 19.1 198 221 A I E -f 173 0A 0 24,-2.8 26,-0.5 -2,-0.6 2,-0.4 -0.910 8.8-176.3-114.2 128.8 11.0 34.5 18.6 199 222 A I E +f 174 0A 29 -26,-2.7 -24,-3.0 -2,-0.5 -23,-0.3 -0.958 9.7 159.8-124.5 136.6 13.0 34.7 15.3 200 223 A Y B -n 231 0F 2 30,-2.0 32,-2.4 -2,-0.4 -2,-0.0 -0.926 21.4-167.9-155.0 143.4 15.8 37.1 14.5 201 224 A S + 0 0 67 -2,-0.3 30,-0.2 30,-0.2 29,-0.1 0.815 67.9 78.2 -99.2 -37.7 18.6 37.0 11.8 202 225 A D > - 0 0 88 1,-0.2 3,-2.4 27,-0.1 -1,-0.1 -0.648 68.6-147.0 -79.2 121.1 21.0 39.8 12.8 203 226 A P T 3 S+ 0 0 58 0, 0.0 -1,-0.2 0, 0.0 26,-0.0 0.785 101.2 48.0 -54.8 -24.9 23.3 38.7 15.7 204 227 A K T 3 S+ 0 0 182 4,-0.0 -2,-0.1 3,-0.0 -3,-0.0 0.202 74.5 143.2-105.1 19.0 23.2 42.3 16.9 205 228 A N < - 0 0 22 -3,-2.4 -29,-0.1 1,-0.2 -30,-0.0 -0.302 49.8-139.4 -52.0 135.0 19.5 42.9 16.7 206 229 A P S S+ 0 0 107 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.661 84.9 69.9 -81.0 -9.8 18.7 45.1 19.7 207 230 A L S >> S+ 0 0 28 1,-0.2 4,-2.6 -32,-0.2 3,-0.7 0.812 70.8 78.1 -84.1 -31.3 15.5 43.4 20.8 208 231 A P H 3> S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.857 98.6 47.2 -50.3 -42.0 16.3 39.9 22.1 209 232 A P H 3> S+ 0 0 73 0, 0.0 4,-1.8 0, 0.0 -2,-0.2 0.864 113.4 49.6 -64.9 -36.5 17.5 41.2 25.5 210 233 A K H <> S+ 0 0 99 -3,-0.7 4,-2.6 -4,-0.5 5,-0.2 0.893 108.7 51.7 -66.9 -40.7 14.4 43.4 25.7 211 234 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.889 105.8 55.8 -64.2 -37.6 12.1 40.4 24.9 212 235 A K H X S+ 0 0 50 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.2 0.949 111.5 43.8 -58.5 -45.8 13.8 38.4 27.7 213 236 A Q H < S+ 0 0 127 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.904 114.1 49.9 -67.5 -37.5 12.9 41.2 30.1 214 237 A L H < S+ 0 0 43 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.871 119.6 35.9 -67.7 -37.3 9.3 41.5 28.7 215 238 A L H >X S+ 0 0 1 -4,-2.6 3,-2.7 -5,-0.2 4,-2.1 0.562 82.3 138.2-101.0 4.5 8.6 37.8 28.8 216 239 A F T 3< S- 0 0 112 -4,-1.4 -202,-0.1 1,-0.3 4,-0.1 -0.103 88.4 -15.4 -55.1 113.7 10.5 37.0 32.1 217 240 A K T 34 S+ 0 0 126 -204,-0.5 -1,-0.3 2,-0.2 -203,-0.2 0.670 127.2 83.6 67.1 13.4 8.4 34.6 34.2 218 241 A K T <4 S- 0 0 119 -3,-2.7 2,-0.3 1,-0.5 -2,-0.2 0.690 100.2 -3.6-115.9 -38.4 5.4 35.5 32.0 219 242 A S S < S- 0 0 5 -4,-2.1 -1,-0.5 -206,-0.3 -24,-0.3 -0.972 76.2 -99.5-153.2 153.1 5.7 33.2 29.0 220 243 A L E -g 195 0A 2 -26,-2.9 -24,-2.3 -2,-0.3 2,-0.6 -0.483 32.9-134.1 -77.9 139.7 8.1 30.7 27.7 221 244 A I E -gh 196 256A 6 34,-0.5 36,-2.6 -2,-0.2 37,-1.6 -0.864 16.9-162.1 -97.2 122.8 10.6 31.8 25.0 222 245 A W E -gh 197 258A 0 -26,-2.9 -24,-2.8 -2,-0.6 2,-0.3 -0.921 9.9-179.8-103.9 122.0 11.0 29.5 22.0 223 246 A Y E - h 0 259A 0 35,-2.2 37,-2.2 -2,-0.5 2,-0.4 -0.904 19.4-135.4-116.0 155.3 14.1 29.9 19.8 224 247 A N E - h 0 260A 2 -26,-0.5 37,-0.2 -2,-0.3 3,-0.2 -0.893 15.5-175.1-108.8 139.0 15.0 27.9 16.7 225 248 A T + 0 0 0 35,-2.8 11,-2.7 -2,-0.4 12,-0.3 0.120 53.0 111.9-116.2 22.0 18.5 26.6 16.0 226 249 A L S S- 0 0 19 34,-0.4 2,-0.3 9,-0.2 -1,-0.1 0.806 87.9 -13.5 -71.2 -35.2 17.7 25.2 12.5 227 250 A W S > S- 0 0 114 -3,-0.2 3,-1.4 7,-0.1 4,-0.5 -0.949 78.0 -88.8-160.6 171.9 19.8 27.6 10.5 228 251 A G G > >S+ 0 0 15 -2,-0.3 5,-2.7 1,-0.3 3,-0.9 0.835 113.0 59.6 -63.0 -39.0 21.6 30.9 10.9 229 252 A S G 3 5S+ 0 0 62 1,-0.2 -1,-0.3 3,-0.2 3,-0.2 0.534 96.5 64.3 -72.5 -6.3 18.8 33.4 10.1 230 253 A L G < 5S+ 0 0 20 -3,-1.4 -30,-2.0 1,-0.2 -6,-0.3 0.770 118.4 10.8 -90.3 -25.7 16.6 32.2 12.8 231 254 A A B X 5S-n 200 0F 0 -3,-0.9 3,-1.8 -4,-0.5 -30,-0.2 -0.242 114.7 -79.6-149.6 50.4 18.5 33.1 16.0 232 255 A G T 3 5S- 0 0 2 -32,-2.4 -3,-0.2 1,-0.3 -31,-0.1 0.840 93.0 -53.1 59.4 38.3 21.4 35.3 15.1 233 256 A N T 3 - 0 0 26 -2,-1.3 4,-2.2 -9,-0.1 -9,-0.2 -0.628 68.3 -88.2-126.1-178.0 22.4 27.3 15.3 236 259 A D H > S+ 0 0 7 -11,-2.7 4,-1.3 2,-0.2 -10,-0.1 0.870 121.6 53.8 -60.2 -39.1 22.9 23.6 15.3 237 260 A N H >> S+ 0 0 111 -12,-0.3 4,-1.0 1,-0.2 3,-0.5 0.930 109.1 47.7 -66.4 -40.5 26.2 23.7 13.4 238 261 A L H >> S+ 0 0 54 1,-0.2 4,-2.7 2,-0.2 3,-0.7 0.907 108.8 56.6 -62.6 -38.7 27.6 26.2 15.9 239 262 A A H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.741 98.0 60.5 -66.0 -26.3 26.4 23.9 18.7 240 263 A L H << S+ 0 0 87 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.857 112.9 38.7 -65.5 -35.9 28.3 21.0 17.2 241 264 A T H << S- 0 0 120 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.843 144.2 -6.1 -77.1 -46.6 31.6 23.0 17.8 242 265 A D >X - 0 0 45 -4,-2.7 4,-0.9 -5,-0.2 3,-0.7 -0.664 57.1-168.9-157.4 100.8 30.5 24.5 21.1 243 266 A P H 3>>S+ 0 0 28 0, 0.0 5,-2.3 0, 0.0 4,-0.8 0.785 89.1 61.1 -65.7 -26.1 27.1 24.0 22.5 244 267 A E H 34>S+ 0 0 74 1,-0.2 5,-1.0 3,-0.2 -5,-0.1 0.874 102.8 51.8 -65.6 -36.7 27.6 26.6 25.1 245 268 A K H <45S+ 0 0 128 -3,-0.7 -1,-0.2 3,-0.2 -6,-0.1 0.709 125.8 23.3 -71.1 -21.2 28.1 29.3 22.5 246 269 A S H X5S+ 0 0 0 -4,-0.9 4,-2.0 -3,-0.4 5,-0.2 0.775 136.7 21.9-109.0 -75.3 24.9 28.4 20.7 247 270 A Y H X5S+ 0 0 0 -4,-0.8 4,-2.6 1,-0.2 5,-0.2 0.920 125.9 51.7 -64.1 -43.3 22.4 26.6 23.0 248 271 A G H >XS+ 0 0 3 -5,-2.3 4,-3.0 1,-0.2 5,-0.6 0.911 109.3 50.4 -60.7 -42.4 23.9 28.0 26.2 249 272 A Y H >XS+ 0 0 70 -5,-1.0 5,-1.7 -6,-0.3 4,-1.4 0.928 112.0 46.5 -59.4 -49.7 23.8 31.5 24.8 250 273 A L H <5S+ 0 0 0 -4,-2.0 6,-2.7 3,-0.2 -1,-0.2 0.911 119.8 40.1 -62.8 -43.0 20.1 31.3 23.8 251 274 A I H X5S+ 0 0 5 -4,-2.6 4,-0.6 4,-0.2 -2,-0.2 0.953 127.1 28.3 -70.7 -53.2 19.1 29.7 27.1 252 275 A E H <5S+ 0 0 97 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.929 131.1 31.6 -81.3 -46.2 21.1 31.6 29.6 253 276 A Q T < + 0 0 13 1,-0.1 4,-2.5 -236,-0.0 5,-0.2 -0.551 63.1 163.3-136.7 68.1 19.5 17.4 16.0 264 287 A P H > S+ 0 0 2 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.844 73.5 54.8 -63.1 -34.7 17.2 16.5 18.9 265 288 A A H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.920 112.1 45.5 -62.2 -43.0 19.4 13.6 20.3 266 289 A Y H > S+ 0 0 75 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.935 114.3 46.4 -67.1 -46.1 22.4 16.0 20.5 267 290 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.930 112.2 51.3 -61.0 -46.2 20.4 18.8 22.1 268 291 A L H X S+ 0 0 1 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.902 109.4 51.2 -56.5 -43.5 18.8 16.4 24.6 269 292 A D H X S+ 0 0 80 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.930 111.7 46.9 -60.5 -45.8 22.3 15.1 25.5 270 293 A Y H X S+ 0 0 14 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.957 113.1 48.3 -58.9 -52.4 23.6 18.6 26.1 271 294 A L H X>S+ 0 0 0 -4,-2.9 5,-2.8 1,-0.2 6,-0.7 0.874 110.1 51.8 -60.3 -40.3 20.5 19.6 28.2 272 295 A R H ><5S+ 0 0 97 -4,-2.6 3,-1.0 4,-0.2 -1,-0.2 0.917 108.6 50.5 -62.0 -43.5 20.8 16.4 30.3 273 296 A K H 3<5S+ 0 0 165 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.847 111.8 49.6 -62.1 -33.6 24.5 17.1 31.0 274 297 A K H 3<5S- 0 0 71 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.585 113.2-118.7 -78.0 -10.8 23.5 20.7 32.0 275 298 A G T <<5S+ 0 0 40 -3,-1.0 -3,-0.2 -4,-0.7 -2,-0.1 0.730 84.6 115.9 74.2 23.1 20.7 19.5 34.3 276 299 A W S