==== 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 23-SEP-09 3JZE . COMPND 2 MOLECULE: DIHYDROOROTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR G.MINASOV,A.HALAVATY,L.SHUVALOVA,I.DUBROVSKA,J.WINSOR,L.PAPA . 1372 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51279.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 955 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 142 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 4 0.3 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 . 103 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 157 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 369 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 2.5 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 4 8 8 4 7 5 4 4 8 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 4 16 8 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 . 8 12 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 4 8 0 0 0 0 0 3 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 5 A S 0 0 121 0, 0.0 313,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -38.1 15.6 30.2 -15.8 2 6 A Q - 0 0 91 311,-0.3 311,-2.4 310,-0.1 2,-0.4 -0.394 360.0-152.8 -60.2 130.5 16.8 26.7 -14.9 3 7 A V E -A 312 0A 83 309,-0.2 2,-0.5 -2,-0.1 309,-0.2 -0.899 12.9-166.5-113.3 137.9 13.8 24.3 -14.6 4 8 A L E -A 311 0A 26 307,-3.5 307,-3.0 -2,-0.4 2,-0.5 -0.942 8.0-170.2-124.2 106.3 13.6 21.2 -12.5 5 9 A K E +A 310 0A 115 -2,-0.5 2,-0.3 305,-0.2 305,-0.2 -0.881 12.6 170.0-102.0 123.6 10.7 19.0 -13.2 6 10 A I E -A 309 0A 3 303,-2.6 303,-2.2 -2,-0.5 2,-0.1 -0.892 42.6 -92.5-128.8 157.2 10.1 16.1 -10.8 7 11 A R E -A 308 0A 83 -2,-0.3 301,-0.3 301,-0.2 299,-0.1 -0.473 69.0 -75.6 -69.6 145.9 7.3 13.6 -10.3 8 12 A R - 0 0 23 299,-2.5 297,-0.4 1,-0.1 -1,-0.1 -0.140 59.9-133.6 -45.7 123.9 4.8 15.0 -7.7 9 13 A P - 0 0 0 0, 0.0 25,-2.9 0, 0.0 26,-0.5 -0.099 8.8-139.9 -79.8 176.9 6.4 14.6 -4.2 10 14 A D - 0 0 0 282,-1.9 2,-0.7 23,-0.2 26,-0.2 -0.944 10.3-136.4-130.1 153.3 5.0 13.2 -0.9 11 15 A D E -c 36 0B 0 24,-2.4 26,-2.2 -2,-0.3 234,-0.2 -0.931 14.5-168.8-113.3 106.4 5.7 14.6 2.6 12 16 A W E S+ 0 0 1 232,-2.3 233,-0.2 -2,-0.7 2,-0.2 0.320 75.8 34.3 -82.4 14.4 6.3 11.7 4.9 13 17 A H E S+ 0 0 0 231,-0.1 234,-3.1 160,-0.0 235,-0.7 -0.592 73.2 148.2-166.6 97.1 6.1 13.7 8.1 14 18 A V E -cd 38 248B 0 23,-2.5 25,-2.9 233,-0.2 2,-0.5 -0.962 33.6-148.2-137.4 150.9 3.7 16.6 8.6 15 19 A H + 0 0 7 233,-1.9 23,-0.1 -2,-0.3 -2,-0.0 -0.984 16.6 173.4-113.3 120.0 1.7 18.4 11.4 16 20 A L - 0 0 2 -2,-0.5 9,-0.2 23,-0.3 10,-0.2 0.499 24.2-161.0-103.8 -6.8 -1.5 20.0 10.1 17 21 A R - 0 0 30 22,-0.1 2,-0.3 4,-0.1 -1,-0.2 -0.206 22.2 -91.3 59.1-147.6 -2.9 20.9 13.6 18 22 A D S >> S+ 0 0 57 40,-0.0 4,-1.4 41,-0.0 3,-1.0 -0.906 73.5 14.8-152.7 176.6 -6.7 21.7 13.8 19 23 A G H 3> S- 0 0 38 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 -0.212 123.5 -9.5 57.0-133.6 -9.3 24.4 13.7 20 24 A D H 3> S+ 0 0 69 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.826 136.9 56.0 -68.7 -33.4 -8.3 27.7 12.1 21 25 A M H <> S+ 0 0 30 -3,-1.0 4,-2.7 2,-0.2 5,-0.3 0.954 107.2 49.9 -63.0 -49.2 -4.6 26.7 12.0 22 26 A L H X S+ 0 0 2 -4,-1.4 4,-2.7 1,-0.2 -2,-0.2 0.903 108.2 52.2 -54.2 -47.3 -5.4 23.6 10.0 23 27 A K H < S+ 0 0 139 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.868 114.5 44.2 -59.8 -37.1 -7.5 25.6 7.5 24 28 A T H < S+ 0 0 29 -4,-1.7 4,-0.3 -3,-0.2 -2,-0.2 0.874 120.9 35.9 -75.2 -40.2 -4.6 28.0 7.0 25 29 A V H >X S+ 0 0 2 -4,-2.7 3,-1.0 -9,-0.2 4,-0.9 0.796 97.6 75.6 -89.8 -28.4 -1.8 25.4 6.7 26 30 A V H >X S+ 0 0 0 -4,-2.7 4,-3.0 -5,-0.3 3,-1.3 0.898 90.8 58.3 -50.8 -47.3 -3.4 22.5 4.9 27 31 A P H 3> S+ 0 0 34 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.804 98.1 59.9 -55.5 -33.7 -3.2 24.3 1.4 28 32 A Y H <4 S+ 0 0 71 -3,-1.0 4,-0.4 -4,-0.3 -2,-0.2 0.825 116.0 34.6 -63.5 -30.1 0.6 24.7 1.6 29 33 A T H XX S+ 0 0 2 -3,-1.3 4,-2.7 -4,-0.9 3,-0.7 0.903 117.4 50.1 -89.5 -46.8 0.9 20.9 1.8 30 34 A S H 3< S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.2 38,-0.1 0.776 103.0 60.9 -66.2 -28.3 -2.0 19.9 -0.5 31 35 A E T 3< S+ 0 0 71 -4,-2.0 -1,-0.2 -5,-0.3 37,-0.2 0.870 121.3 21.3 -65.7 -33.2 -1.0 22.2 -3.3 32 36 A I T <4 S+ 0 0 17 -3,-0.7 2,-0.4 -4,-0.4 -2,-0.2 0.772 111.4 66.2-108.4 -33.5 2.4 20.4 -3.7 33 37 A Y < - 0 0 2 -4,-2.7 -23,-0.2 1,-0.1 3,-0.1 -0.776 55.9-153.7-103.4 138.9 2.3 16.9 -2.2 34 38 A G S S+ 0 0 2 -25,-2.9 36,-2.2 -2,-0.4 2,-0.3 0.850 85.7 5.4 -72.4 -37.1 0.3 14.0 -3.4 35 39 A R E - e 0 70B 23 -26,-0.5 -24,-2.4 34,-0.2 2,-0.3 -0.970 64.6-165.8-143.4 155.6 0.2 12.4 0.0 36 40 A A E -ce 11 71B 0 34,-1.2 36,-3.2 -2,-0.3 2,-0.8 -0.989 26.2-125.2-147.1 136.5 1.4 13.4 3.5 37 41 A I E - e 0 72B 0 -26,-2.2 -23,-2.5 -2,-0.3 2,-0.7 -0.764 32.9-148.3 -78.5 109.7 1.8 11.3 6.7 38 42 A V E -ce 14 73B 1 34,-3.1 36,-0.7 -2,-0.8 -23,-0.2 -0.756 11.4-131.5 -89.2 116.7 -0.4 13.3 9.1 39 43 A M - 0 0 2 -25,-2.9 -23,-0.3 -2,-0.7 -22,-0.1 -0.315 5.9-140.8 -67.6 149.8 1.0 13.2 12.6 40 44 A P + 0 0 2 0, 0.0 6,-2.5 0, 0.0 2,-1.8 0.259 63.0 116.1 -97.8 8.5 -1.5 12.3 15.4 41 45 A N + 0 0 4 4,-0.2 2,-0.1 2,-0.0 -2,-0.1 -0.318 37.7 147.6 -81.3 58.7 -0.3 14.7 18.2 42 46 A L S S- 0 0 16 -2,-1.8 -24,-0.0 2,-0.2 4,-0.0 -0.352 71.1 -88.7 -81.1 169.5 -3.4 16.8 18.5 43 47 A A S S+ 0 0 92 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.845 134.6 33.6 -45.6 -42.2 -4.5 18.4 21.9 44 48 A S S S- 0 0 94 -4,-0.0 -1,-0.3 0, 0.0 -2,-0.2 -0.960 111.3-122.8-114.4 104.8 -6.4 15.1 22.3 45 49 A P - 0 0 17 0, 0.0 2,-1.3 0, 0.0 -4,-0.2 -0.083 19.1-108.6 -54.6 146.8 -4.2 12.6 20.5 46 50 A I + 0 0 6 -6,-2.5 30,-3.0 1,-0.2 3,-0.0 -0.639 63.6 140.3 -77.7 95.6 -5.5 10.5 17.6 47 51 A T + 0 0 38 -2,-1.3 2,-0.3 28,-0.2 -1,-0.2 0.234 54.2 58.0-121.9 7.5 -5.7 7.1 19.3 48 52 A T S > S- 0 0 55 1,-0.1 4,-2.0 -3,-0.1 5,-0.1 -0.966 78.2-122.7-138.4 155.2 -9.0 5.8 17.9 49 53 A V H > S+ 0 0 0 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.899 112.0 51.8 -64.7 -43.0 -10.4 5.1 14.5 50 54 A D H > S+ 0 0 113 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.879 109.8 49.8 -63.8 -35.9 -13.4 7.4 14.9 51 55 A A H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 111.7 49.2 -66.3 -41.3 -11.1 10.3 16.0 52 56 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.857 110.6 49.7 -66.4 -37.9 -8.9 9.7 13.0 53 57 A I H X S+ 0 0 64 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.924 112.2 47.7 -68.0 -43.4 -11.9 9.6 10.6 54 58 A A H X S+ 0 0 47 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.924 114.0 47.5 -62.2 -44.0 -13.3 12.9 12.0 55 59 A Y H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.925 108.8 53.0 -64.4 -45.0 -9.8 14.6 11.8 56 60 A R H X S+ 0 0 63 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.871 107.9 52.3 -58.5 -37.4 -9.3 13.4 8.3 57 61 A Q H X S+ 0 0 99 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.876 106.6 52.0 -67.6 -38.1 -12.6 15.0 7.4 58 62 A R H X S+ 0 0 91 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.911 111.9 48.4 -62.3 -38.0 -11.6 18.3 8.9 59 63 A I H >< S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 4,-0.5 0.955 112.0 47.2 -65.3 -50.9 -8.4 18.1 6.8 60 64 A L H >< S+ 0 0 69 -4,-2.8 3,-1.3 1,-0.3 -1,-0.2 0.867 105.2 60.9 -58.3 -39.6 -10.4 17.2 3.6 61 65 A D H 3< S+ 0 0 116 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.782 107.9 45.8 -57.4 -29.2 -12.8 20.1 4.3 62 66 A A T << S+ 0 0 18 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.452 86.6 104.6 -95.6 -3.5 -9.8 22.5 4.1 63 67 A V S < S- 0 0 27 -3,-1.3 3,-0.1 -4,-0.5 -40,-0.0 -0.695 75.0-121.7 -81.3 123.0 -8.2 21.1 1.0 64 68 A P > - 0 0 49 0, 0.0 3,-1.7 0, 0.0 2,-0.1 -0.312 32.6 -98.6 -62.4 146.8 -8.8 23.4 -2.0 65 69 A A T 3 S+ 0 0 106 1,-0.2 3,-0.1 3,-0.1 0, 0.0 -0.438 110.8 36.5 -64.5 136.4 -10.7 21.9 -5.0 66 70 A G T 3 S+ 0 0 84 1,-0.3 2,-0.6 -2,-0.1 -1,-0.2 0.163 83.6 121.6 105.5 -16.9 -8.1 20.9 -7.7 67 71 A H < - 0 0 52 -3,-1.7 2,-1.9 1,-0.1 -1,-0.3 -0.722 57.8-145.4 -83.1 116.8 -5.4 19.7 -5.2 68 72 A D + 0 0 96 -2,-0.6 2,-0.4 -37,-0.2 239,-0.1 -0.570 50.0 140.6 -82.5 81.3 -4.5 16.1 -5.8 69 73 A F - 0 0 14 -2,-1.9 -34,-0.2 -9,-0.0 -35,-0.2 -0.988 34.4-174.0-133.4 134.4 -3.8 15.4 -2.2 70 74 A T E -e 35 0B 72 -36,-2.2 -34,-1.2 -2,-0.4 2,-0.4 -0.982 20.6-141.0-125.8 117.4 -4.6 12.4 0.1 71 75 A P E -e 36 0B 6 0, 0.0 2,-0.7 0, 0.0 -34,-0.2 -0.669 11.0-151.1 -80.7 128.2 -3.9 12.7 3.8 72 76 A L E -e 37 0B 22 -36,-3.2 -34,-3.1 -2,-0.4 23,-0.1 -0.900 19.5-143.6 -99.2 115.4 -2.4 9.4 5.3 73 77 A M E -ef 38 95B 3 21,-0.8 23,-3.1 -2,-0.7 24,-0.9 -0.379 11.8-156.0 -84.3 156.7 -3.4 9.2 8.9 74 78 A T E - f 0 97B 2 -36,-0.7 2,-0.4 21,-0.2 24,-0.2 -0.889 14.8-124.3-128.8 157.7 -1.5 7.8 11.8 75 79 A C E - f 0 98B 0 22,-1.9 24,-3.1 -2,-0.3 2,-0.8 -0.874 21.9-131.5-103.1 131.9 -2.2 6.3 15.2 76 80 A Y E - f 0 99B 0 -30,-3.0 2,-0.1 -2,-0.4 24,-0.1 -0.762 27.3-134.7 -81.8 111.1 -0.7 7.9 18.3 77 81 A L + 0 0 0 22,-2.4 24,-0.4 -2,-0.8 2,-0.3 -0.447 28.8 176.6 -69.7 136.5 0.8 5.0 20.3 78 82 A T > - 0 0 21 -2,-0.1 3,-1.2 34,-0.1 35,-0.2 -0.914 44.0-107.1-132.4 161.9 0.1 5.0 24.1 79 83 A D T 3 S+ 0 0 22 33,-0.4 34,-0.1 32,-0.3 957,-0.1 0.861 120.5 40.5 -56.6 -37.6 1.0 2.5 26.8 80 84 A S T 3 S+ 0 0 42 955,-0.1 -1,-0.2 2,-0.1 39,-0.0 0.313 81.0 135.0 -98.2 8.9 -2.6 1.4 27.0 81 85 A L < - 0 0 20 -3,-1.2 2,-0.4 1,-0.1 41,-0.1 -0.343 56.7-125.9 -59.6 131.9 -3.5 1.4 23.3 82 86 A D >> - 0 0 94 1,-0.1 3,-1.3 -2,-0.0 4,-1.3 -0.696 8.0-138.7 -81.7 128.7 -5.4 -1.8 22.3 83 87 A A H 3> S+ 0 0 11 -2,-0.4 4,-2.4 1,-0.3 -1,-0.1 0.806 102.1 62.6 -55.7 -29.3 -3.8 -3.5 19.4 84 88 A D H 3> S+ 0 0 83 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.793 96.8 55.9 -68.5 -30.3 -7.3 -4.1 18.0 85 89 A E H <> S+ 0 0 49 -3,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.927 112.3 41.8 -68.3 -45.4 -8.0 -0.4 17.6 86 90 A L H X S+ 0 0 3 -4,-1.3 4,-2.3 1,-0.2 9,-0.2 0.934 113.8 53.9 -66.4 -44.5 -4.9 0.1 15.5 87 91 A E H X S+ 0 0 52 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.892 110.5 44.2 -59.9 -44.2 -5.5 -3.1 13.5 88 92 A R H X S+ 0 0 88 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.857 112.2 52.7 -71.6 -32.0 -9.1 -2.2 12.5 89 93 A G H <>S+ 0 0 0 -4,-1.7 5,-2.9 2,-0.2 6,-1.2 0.885 111.1 48.8 -65.6 -36.8 -8.1 1.4 11.6 90 94 A F H ><5S+ 0 0 60 -4,-2.3 3,-1.2 4,-0.2 -2,-0.2 0.926 112.7 46.1 -67.1 -46.1 -5.4 -0.2 9.4 91 95 A H H 3<5S+ 0 0 115 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.818 109.3 55.6 -68.5 -28.4 -7.8 -2.6 7.8 92 96 A E T 3<5S- 0 0 105 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.417 116.4-112.2 -84.0 2.8 -10.4 0.2 7.3 93 97 A G T < 5S+ 0 0 51 -3,-1.2 -3,-0.2 2,-0.2 -20,-0.2 0.736 91.6 107.8 73.8 21.9 -7.8 2.3 5.3 94 98 A V < + 0 0 3 -5,-2.9 -21,-0.8 1,-0.2 2,-0.5 0.899 69.4 49.4 -92.7 -57.8 -7.7 4.9 8.1 95 99 A F E +f 73 0B 4 -6,-1.2 -21,-0.2 -9,-0.2 -1,-0.2 -0.734 49.6 173.2 -91.1 125.1 -4.3 4.3 9.7 96 100 A T E S- 0 0 35 -23,-3.1 2,-0.3 -2,-0.5 -22,-0.2 0.700 73.3 -9.2 -92.9 -31.4 -1.2 4.1 7.4 97 101 A A E -f 74 0B 0 -24,-0.9 -22,-1.9 34,-0.1 2,-0.4 -0.949 64.6-115.4-157.7 172.5 1.3 3.9 10.3 98 102 A A E -fg 75 133B 0 34,-1.9 36,-3.1 -2,-0.3 2,-0.5 -0.963 25.1-142.3-120.7 138.9 1.7 4.3 14.1 99 103 A X E -fg 76 134B 2 -24,-3.1 -22,-2.4 -2,-0.4 2,-0.7 -0.883 3.8-152.5-108.9 131.2 3.8 7.0 15.7 100 104 A L E + g 0 135B 6 34,-3.1 36,-2.3 -2,-0.5 -22,-0.1 -0.887 15.4 178.6-106.0 109.3 5.9 6.4 18.8 101 105 A Y - 0 0 0 -2,-0.7 12,-2.1 -24,-0.4 2,-0.2 -0.955 28.5-131.9-108.0 116.6 6.5 9.5 20.9 102 106 A P B > -l 113 0C 19 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.510 48.5 -88.0 -63.6 136.2 8.5 9.1 24.0 103 107 A A T 3 S+ 0 0 16 10,-2.3 7,-0.2 1,-0.3 8,-0.0 -0.213 110.3 3.3 -50.5 130.6 6.5 10.8 26.7 104 108 A N T 3 S+ 0 0 99 5,-1.9 -1,-0.3 2,-0.2 6,-0.1 0.591 92.0 123.4 67.5 17.1 7.4 14.5 27.0 105 109 A A S < S- 0 0 9 -3,-2.3 2,-0.2 4,-0.3 449,-0.2 0.784 80.9 -25.2 -76.5 -27.5 9.8 14.3 24.0 106 110 A T S > S- 0 0 32 -4,-0.3 3,-1.0 1,-0.1 -2,-0.2 -0.835 101.2 -14.9-161.0-163.8 8.0 17.1 22.0 107 111 A T T 3 S- 0 0 29 1,-0.2 -2,-0.1 -2,-0.2 -1,-0.1 -0.235 123.5 -4.2 -54.9 131.8 4.7 18.9 21.4 108 112 A N T 3 S+ 0 0 76 1,-0.1 -1,-0.2 -4,-0.1 3,-0.1 0.884 94.6 125.7 48.8 49.7 1.5 17.2 22.8 109 113 A S X + 0 0 4 -3,-1.0 -5,-1.9 1,-0.1 3,-1.8 0.176 25.5 108.5-120.4 15.5 3.5 14.2 24.0 110 114 A S T 3 S+ 0 0 81 1,-0.3 -1,-0.1 -7,-0.2 -7,-0.1 0.779 86.2 49.7 -63.1 -23.3 2.5 14.1 27.7 111 115 A H T 3 S+ 0 0 76 -3,-0.1 -32,-0.3 -9,-0.1 -1,-0.3 0.347 91.1 123.7 -94.2 4.1 0.4 11.0 26.7 112 116 A G S < S- 0 0 5 -3,-1.8 -33,-0.4 -10,-0.2 2,-0.2 0.149 72.2 -69.2 -59.3 178.9 3.4 9.3 24.9 113 117 A V B -l 102 0C 10 -12,-2.1 -10,-2.3 -36,-0.2 -1,-0.2 -0.487 34.2-168.4 -76.1 138.0 4.9 5.9 25.4 114 118 A T S S+ 0 0 82 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.654 72.1 6.5-100.4 -21.3 6.8 5.4 28.7 115 119 A S > - 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0 0 63 -6,-2.3 3,-2.2 -2,-0.5 4,-0.3 -0.793 12.6-176.2-119.5 91.4 16.0 32.4 16.9 214 218 A P G > S+ 0 0 8 0, 0.0 3,-1.5 0, 0.0 50,-0.3 0.784 82.4 66.5 -56.4 -28.6 12.8 30.6 18.1 215 219 A H G 3 S+ 0 0 22 388,-0.4 51,-0.2 1,-0.3 389,-0.1 0.677 102.4 47.9 -70.5 -13.2 11.6 30.0 14.5 216 220 A L G < S+ 0 0 19 -3,-2.2 2,-0.6 -9,-0.1 6,-0.3 0.385 89.1 107.6 -99.4 -3.5 14.7 27.7 14.0 217 221 A Y < + 0 0 0 -3,-1.5 47,-2.8 -4,-0.3 2,-0.3 -0.704 42.0 138.0 -81.0 120.2 13.9 25.9 17.3 218 222 A C - 0 0 1 -2,-0.6 4,-0.2 45,-0.3 337,-0.1 -0.905 49.2 -77.3-149.8 170.7 12.5 22.4 16.7 219 223 A L S S+ 0 0 15 -2,-0.3 2,-0.2 2,-0.1 -112,-0.1 -0.991 113.7 43.9-126.2 133.8 12.9 18.9 18.2 220 224 A P S S- 0 0 0 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.543 109.4-122.4 -64.7 144.5 15.2 17.1 17.7 221 225 A I - 0 0 0 -75,-0.2 -2,-0.1 -2,-0.2 -17,-0.1 -0.189 26.8 -91.8 -64.2 147.5 17.3 20.2 18.2 222 226 A L - 0 0 1 -6,-0.3 -1,-0.1 -4,-0.2 -19,-0.1 -0.395 52.5-150.4 -54.4 137.9 19.7 21.4 15.5 223 227 A K - 0 0 7 -47,-0.3 -19,-2.7 -21,-0.2 -18,-0.3 -0.306 25.8 -57.6-107.2-172.8 23.1 20.0 16.1 224 228 A R >> - 0 0 71 -21,-0.2 3,-1.8 -20,-0.1 4,-1.6 -0.242 56.5-104.1 -63.7 151.5 26.7 20.8 15.6 225 229 A N H 3> S+ 0 0 59 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.803 118.5 64.0 -48.8 -34.9 27.9 21.5 12.0 226 230 A I H 3> S+ 0 0 78 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.825 104.0 46.8 -60.7 -34.2 29.6 18.0 11.8 227 231 A H H <> S+ 0 0 32 -3,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.937 109.9 52.9 -71.7 -48.4 26.1 16.4 12.1 228 232 A Q H X S+ 0 0 19 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.909 109.4 49.9 -52.1 -45.6 24.6 18.7 9.5 229 233 A Q H X S+ 0 0 79 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.905 107.4 53.4 -64.3 -39.8 27.4 17.8 7.1 230 234 A A H X S+ 0 0 9 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.881 109.9 48.4 -59.6 -41.1 26.8 14.1 7.6 231 235 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.930 111.8 48.9 -64.2 -46.5 23.1 14.5 6.8 232 236 A R H X S+ 0 0 20 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.888 112.2 48.7 -60.9 -40.8 24.0 16.5 3.6 233 237 A E H X S+ 0 0 117 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.883 108.1 55.7 -67.0 -38.0 26.5 13.8 2.5 234 238 A L H <>S+ 0 0 4 -4,-2.1 5,-1.2 -5,-0.2 3,-0.3 0.944 113.6 38.4 -60.1 -49.3 23.9 11.1 3.2 235 239 A V H ><5S+ 0 0 5 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.869 112.4 58.0 -72.2 -34.9 21.3 12.6 0.9 236 240 A A H 3<5S+ 0 0 22 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.769 97.6 62.5 -63.3 -27.4 23.9 13.7 -1.7 237 241 A S T 3<5S- 0 0 56 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.530 113.0-117.3 -76.6 -7.2 25.0 10.0 -2.0 238 242 A G T < 5 - 0 0 21 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.728 43.4-174.6 75.5 22.9 21.6 9.1 -3.3 239 243 A F > < - 0 0 23 -5,-1.2 3,-0.8 1,-0.1 -1,-0.2 -0.302 17.1-147.4 -52.5 124.1 21.0 6.8 -0.3 240 244 A T T 3 S+ 0 0 76 1,-0.2 59,-0.1 -3,-0.1 -1,-0.1 0.600 86.0 60.5 -78.7 -14.1 17.7 5.0 -1.0 241 245 A R T 3 S+ 0 0 28 -49,-0.1 -48,-1.5 57,-0.1 2,-0.4 0.050 89.2 80.1-103.3 25.7 16.3 4.6 2.6 242 246 A A E < +j 193 0B 0 -3,-0.8 2,-0.3 -50,-0.2 -48,-0.2 -0.994 60.7 167.6-127.9 133.0 16.2 8.4 3.4 243 247 A F E -j 194 0B 0 -50,-2.0 -48,-1.5 -2,-0.4 49,-0.2 -0.939 39.0 -66.7-145.7 168.8 13.3 10.5 2.2 244 248 A L E +j 195 0B 0 47,-2.0 -232,-2.3 -2,-0.3 2,-0.3 -0.341 50.6 151.2 -62.1 125.1 11.4 13.8 2.4 245 249 A G - 0 0 0 -50,-1.2 -231,-0.1 -234,-0.2 -234,-0.1 -0.825 21.5-170.0-155.4 103.9 9.7 14.5 5.7 246 250 A T - 0 0 0 -2,-0.3 -48,-0.3 -50,-0.2 -232,-0.2 0.808 18.0-148.9 -70.1 -30.9 9.4 18.2 6.5 247 251 A D - 0 0 8 -234,-3.1 18,-0.5 1,-0.2 2,-0.3 0.840 24.0-171.0 55.6 35.1 8.2 17.8 10.1 248 252 A S B +dk 14 265B 2 -235,-0.7 -233,-1.9 18,-0.1 18,-0.2 -0.441 9.6 174.8 -56.6 120.1 6.3 21.1 9.3 249 253 A A - 0 0 6 16,-2.4 17,-0.2 -2,-0.3 2,-0.1 -0.693 11.8-161.6-138.7 79.3 5.1 22.0 12.8 250 254 A P + 0 0 2 0, 0.0 2,-0.3 0, 0.0 15,-0.1 -0.390 13.5 175.1 -75.3 139.2 3.4 25.3 12.9 251 255 A H - 0 0 26 13,-0.2 79,-0.5 79,-0.2 15,-0.1 -0.975 38.9-100.7-133.5 144.9 2.8 27.4 16.0 252 256 A S B >> -N 329 0E 18 -2,-0.3 3,-1.3 77,-0.1 4,-0.6 -0.247 36.4-107.5 -63.6 158.4 1.3 30.9 16.1 253 257 A R H >> S+ 0 0 62 75,-3.2 4,-3.0 1,-0.3 3,-1.3 0.873 119.9 58.2 -53.6 -40.4 3.7 33.7 16.5 254 258 A H H 34 S+ 0 0 121 74,-0.3 -1,-0.3 1,-0.3 75,-0.1 0.744 106.2 48.3 -64.8 -23.8 2.5 34.3 20.1 255 259 A R H <4 S+ 0 0 165 -3,-1.3 7,-2.8 1,-0.1 -1,-0.3 0.502 119.5 39.7 -91.2 -9.1 3.5 30.7 21.0 256 260 A K H << S+ 0 0 6 -3,-1.3 2,-1.1 -4,-0.6 -2,-0.2 0.809 111.6 50.6-103.0 -47.9 6.9 31.1 19.4 257 261 A E S < S+ 0 0 30 -4,-3.0 2,-0.3 344,-0.2 -1,-0.2 -0.726 96.0 89.4 -96.6 79.9 8.1 34.7 20.3 258 262 A T S S- 0 0 46 -2,-1.1 3,-0.5 298,-0.2 344,-0.1 -0.895 95.7 -76.6-160.5 178.3 7.4 34.5 24.1 259 263 A S S S+ 0 0 50 1,-0.3 2,-0.4 -2,-0.3 300,-0.3 0.809 126.4 26.6 -61.6 -33.6 9.2 33.4 27.3 260 264 A C S S- 0 0 58 297,-0.1 -1,-0.3 298,-0.1 297,-0.2 -0.768 87.3-159.7-133.7 91.0 8.8 29.8 26.6 261 265 A G B -P 556 0F 0 295,-2.9 295,-1.9 -3,-0.5 -5,-0.3 -0.444 17.1-117.1 -75.4 137.2 8.6 29.2 22.8 262 266 A C - 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0 0 71 4,-0.0 3,-1.6 1,-0.0 -1,-0.1 -0.274 45.8 -84.4 -94.6-175.6 23.2 7.8 51.0 1221 193 D D T 3 S+ 0 0 134 1,-0.3 -1,-0.0 -2,-0.1 -2,-0.0 0.561 121.9 66.5 -69.8 -8.2 22.3 4.8 48.8 1222 194 D Y T 3 S+ 0 0 100 -24,-0.1 -20,-2.8 -21,-0.1 2,-0.5 0.337 91.0 77.2 -91.5 3.4 21.9 2.5 51.8 1223 195 D L E < +d 1202 0U 0 -3,-1.6 2,-0.3 -22,-0.2 -20,-0.2 -0.969 52.9 155.5-122.4 127.7 18.9 4.5 53.1 1224 196 D A E -d 1203 0U 0 -22,-2.8 -20,-3.3 -2,-0.5 2,-0.3 -0.787 19.8-150.4-137.1 175.2 15.3 4.2 51.8 1225 197 D A E -de12041274U 0 48,-2.0 50,-2.2 -22,-0.3 2,-0.3 -0.990 8.0-142.0-148.1 157.5 11.8 4.8 53.0 1226 198 D T E - e 01275U 0 -22,-1.5 -19,-2.4 -2,-0.3 2,-0.4 -0.858 16.7-160.0-114.6 154.0 8.2 3.7 52.5 1227 199 D I E - e 01276U 0 48,-1.4 50,-1.2 -2,-0.3 -19,-0.1 -0.999 9.8-137.8-139.3 132.3 5.3 6.1 52.7 1228 200 D T > - 0 0 0 -2,-0.4 4,-0.8 -21,-0.3 50,-0.2 -0.374 22.4-118.0 -83.4 164.8 1.6 5.2 53.3 1229 201 D P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 3,-0.3 0.866 112.6 55.1 -71.1 -32.6 -1.4 6.7 51.4 1230 202 D Q H > S+ 0 0 0 48,-0.3 4,-2.7 1,-0.2 48,-0.0 0.876 103.4 53.5 -69.1 -34.8 -2.8 8.2 54.6 1231 203 D H H 4 S+ 0 0 4 1,-0.2 -1,-0.2 2,-0.2 32,-0.2 0.733 115.1 41.7 -73.6 -20.9 0.4 10.1 55.4 1232 204 D L H < S+ 0 0 0 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.2 0.824 120.8 41.4 -86.9 -38.7 0.3 11.7 51.9 1233 205 D M H < S+ 0 0 41 -4,-2.5 2,-0.2 -5,-0.1 -2,-0.2 0.821 118.0 30.9 -79.7 -33.6 -3.5 12.3 51.8 1234 206 D F < - 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0 0 67 -6,-2.3 3,-2.1 -2,-0.5 4,-0.3 -0.811 12.5-177.4-116.1 92.6 -11.8 9.7 63.5 1246 218 D P G > S+ 0 0 12 0, 0.0 3,-1.1 0, 0.0 50,-0.3 0.718 80.4 68.2 -64.0 -18.9 -10.3 6.5 64.8 1247 219 D H G 3 S+ 0 0 28 -300,-0.4 51,-0.1 1,-0.3 118,-0.1 0.642 101.9 49.0 -75.3 -10.5 -10.0 5.0 61.3 1248 220 D L G < S+ 0 0 19 -3,-2.1 2,-0.6 -9,-0.1 6,-0.3 0.406 88.5 107.0-100.4 -1.3 -7.4 7.6 60.6 1249 221 D Y < + 0 0 1 -3,-1.1 47,-2.7 -4,-0.3 2,-0.3 -0.692 42.7 131.5 -84.3 119.8 -5.5 6.7 63.8 1250 222 D C - 0 0 0 -2,-0.6 4,-0.3 45,-0.3 -2,-0.0 -0.927 50.8 -66.8-155.7 167.7 -2.4 4.9 63.1 1251 223 D L S S+ 0 0 61 -2,-0.3 2,-0.2 2,-0.1 3,-0.0 -0.901 113.1 39.6-114.0 142.2 1.3 5.0 64.1 1252 224 D P S S- 0 0 1 0, 0.0 3,-0.1 0, 0.0 -73,-0.1 0.695 109.3-117.4 -68.5 150.9 3.4 6.9 63.6 1253 225 D I - 0 0 0 -75,-0.2 -2,-0.1 -2,-0.2 -17,-0.1 -0.156 28.9 -91.7 -63.9 149.9 0.6 9.5 64.2 1254 226 D L - 0 0 2 -4,-0.3 -1,-0.1 -6,-0.3 -19,-0.1 -0.382 52.5-151.1 -57.7 137.4 -0.6 11.9 61.5 1255 227 D K - 0 0 8 -47,-0.3 -19,-2.7 -21,-0.2 -18,-0.3 -0.366 26.4 -58.2-106.5-177.9 1.4 15.1 61.8 1256 228 D R >> - 0 0 70 -21,-0.2 4,-1.6 -20,-0.1 3,-1.5 -0.136 56.7-102.7 -57.4 154.6 1.0 18.8 61.1 1257 229 D N H 3> S+ 0 0 47 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.815 119.0 62.5 -51.4 -36.9 0.2 19.9 57.5 1258 230 D I H 3> S+ 0 0 77 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.827 103.6 48.8 -60.5 -33.4 3.7 21.0 56.9 1259 231 D H H <> S+ 0 0 35 -3,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.915 110.2 50.6 -71.0 -45.5 5.0 17.5 57.4 1260 232 D Q H X S+ 0 0 16 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.899 109.9 51.8 -58.0 -41.7 2.3 16.1 55.0 1261 233 D Q H X S+ 0 0 80 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.890 106.8 52.5 -64.2 -38.0 3.4 18.7 52.5 1262 234 D A H X S+ 0 0 14 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.900 110.1 49.4 -63.7 -40.3 7.1 17.6 52.8 1263 235 D L H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.913 111.1 48.3 -65.8 -43.1 6.0 14.0 52.1 1264 236 D R H X S+ 0 0 22 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.901 112.1 49.4 -64.6 -39.5 4.0 15.0 49.0 1265 237 D E H X S+ 0 0 121 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.852 107.4 55.8 -67.5 -35.1 6.9 17.0 47.7 1266 238 D L H ><>S+ 0 0 8 -4,-1.9 5,-1.2 2,-0.2 3,-0.5 0.952 113.4 38.6 -63.2 -49.9 9.4 14.2 48.3 1267 239 D V H ><5S+ 0 0 7 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.883 113.1 57.3 -70.1 -34.0 7.4 11.7 46.1 1268 240 D A H 3<5S+ 0 0 23 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.718 97.7 63.2 -68.3 -21.0 6.5 14.4 43.6 1269 241 D S T <<5S- 0 0 75 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.584 112.7-117.1 -78.6 -11.5 10.2 15.0 43.0 1270 242 D G T < 5 - 0 0 20 -3,-1.4 -3,-0.1 -4,-0.3 -2,-0.1 0.640 43.7-175.8 82.6 13.2 10.7 11.5 41.7 1271 243 D F > < - 0 0 26 -5,-1.2 3,-0.8 1,-0.2 -1,-0.2 -0.220 17.8-148.6 -46.1 125.0 13.1 10.7 44.6 1272 244 D T T 3 S+ 0 0 76 1,-0.2 -1,-0.2 -3,-0.1 59,-0.1 0.589 86.3 61.0 -81.6 -11.8 14.3 7.2 43.8 1273 245 D R T 3 S+ 0 0 27 -49,-0.1 -48,-2.0 57,-0.1 2,-0.4 0.125 88.0 79.8-105.3 18.3 14.7 5.9 47.4 1274 246 D A E < +e 1225 0U 1 -3,-0.8 2,-0.3 -50,-0.2 -48,-0.2 -0.987 60.2 166.6-119.7 136.1 11.0 6.3 48.6 1275 247 D F E -e 1226 0U 0 -50,-2.2 -48,-1.4 -2,-0.4 2,-0.2 -0.923 39.6 -65.3-147.4 173.0 8.5 3.6 47.6 1276 248 D L E +e 1227 0U 0 47,-2.1 -232,-2.3 -2,-0.3 2,-0.3 -0.381 50.3 151.9 -67.4 124.7 5.1 2.2 48.2 1277 249 D G - 0 0 0 -50,-1.2 -231,-0.1 -234,-0.2 -234,-0.1 -0.848 21.0-169.7-149.0 106.9 4.5 0.6 51.6 1278 250 D T - 0 0 0 -2,-0.3 -48,-0.3 -50,-0.2 -232,-0.2 0.860 17.4-149.2 -71.3 -31.3 0.8 0.8 52.6 1279 251 D D - 0 0 10 -234,-3.3 18,-0.5 1,-0.2 -233,-0.2 0.818 23.3-171.6 56.6 38.8 1.2 -0.3 56.2 1280 252 D S B +y 1046 0U 2 -235,-0.7 -233,-1.7 18,-0.1 18,-0.2 -0.418 8.7 175.5 -60.0 123.5 -2.3 -1.8 55.8 1281 253 D A - 0 0 6 16,-2.5 17,-0.1 -2,-0.2 2,-0.1 -0.677 12.7-158.3-139.0 79.1 -3.0 -2.7 59.4 1282 254 D P + 0 0 2 0, 0.0 2,-0.3 0, 0.0 15,-0.1 -0.359 15.5 173.5 -73.4 144.3 -6.5 -4.0 59.9 1283 255 D H - 0 0 45 13,-0.2 79,-0.6 79,-0.2 15,-0.1 -0.978 38.3 -99.4-139.1 146.1 -8.5 -4.2 63.1 1284 256 D S B >> -F 1361 0V 20 -2,-0.3 3,-1.0 77,-0.1 4,-0.7 -0.159 34.6-110.9 -62.0 156.9 -12.1 -5.2 63.6 1285 257 D R H >> S+ 0 0 86 75,-3.1 4,-2.9 1,-0.3 3,-1.5 0.925 119.3 58.3 -56.5 -41.0 -14.7 -2.4 63.9 1286 258 D H H 34 S+ 0 0 126 1,-0.3 -1,-0.3 74,-0.2 75,-0.1 0.759 106.8 47.4 -60.6 -27.9 -15.2 -3.4 67.5 1287 259 D R H <4 S+ 0 0 167 -3,-1.0 7,-2.6 1,-0.1 -1,-0.3 0.491 118.2 41.0 -89.7 -9.2 -11.5 -2.7 68.2 1288 260 D K H << S+ 0 0 5 -3,-1.5 2,-1.1 -4,-0.7 -2,-0.2 0.792 111.7 50.1-101.7 -45.7 -11.5 0.7 66.4 1289 261 D E S < S+ 0 0 37 -4,-2.9 2,-0.3 -5,-0.2 -1,-0.2 -0.763 95.3 86.7 -99.9 88.0 -14.8 2.3 67.4 1290 262 D T S S- 0 0 43 -2,-1.1 3,-0.5 -390,-0.2 -344,-0.1 -0.903 96.2 -72.1-166.7-178.0 -14.5 1.8 71.2 1291 263 D S S S+ 0 0 51 1,-0.3 -388,-0.4 -2,-0.3 2,-0.3 0.783 127.4 25.6 -64.3 -33.0 -13.1 3.6 74.3 1292 264 D C S S- 0 0 58 -391,-0.1 -1,-0.3 -390,-0.1 -391,-0.2 -0.777 86.7-159.9-135.2 90.3 -9.6 2.7 73.4 1293 265 D G B -Q 900 0P 1 -393,-2.5 -393,-2.0 -3,-0.5 -5,-0.3 -0.452 16.9-117.0 -76.6 140.6 -9.2 2.3 69.7 1294 266 D C - 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