==== 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 OXIDOREDUCTASE 09-DEC-99 1DLJ . COMPND 2 MOLECULE: UDP-GLUCOSE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PYOGENES; . AUTHOR R.E.CAMPBELL,S.C.MOSIMANN,I.VAN DE RIJN,M.E.TANNER,N.C.J.STR . 402 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20030.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 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 . 30 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 1 0 0 2 2 2 2 0 0 2 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 2 2 4 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 1 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 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 1 A M 0 0 67 0, 0.0 23,-2.6 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 147.4 -42.1 9.5 70.0 2 2 A K E +a 24 0A 68 21,-0.2 73,-3.1 71,-0.1 74,-1.1 -0.753 360.0 178.8 -86.5 115.1 -39.7 7.9 72.5 3 3 A I E -ab 25 76A 3 21,-2.6 23,-2.2 -2,-0.8 2,-0.4 -0.957 17.6-158.5-122.0 133.8 -36.3 7.7 70.7 4 4 A A E -ab 26 77A 1 72,-2.3 74,-3.0 -2,-0.4 2,-0.5 -0.906 7.0-161.3-108.8 136.7 -33.0 6.3 72.1 5 5 A V E -ab 27 78A 0 21,-2.6 23,-3.5 -2,-0.4 2,-0.7 -0.977 8.8-147.4-120.3 121.3 -29.7 7.4 70.5 6 6 A A E S+ab 28 79A 1 72,-3.3 74,-2.8 -2,-0.5 23,-0.2 -0.799 70.1 27.8 -90.8 111.9 -26.6 5.3 71.1 7 7 A G - 0 0 10 21,-3.2 22,-0.2 -2,-0.7 21,-0.1 0.328 60.4-142.0 109.2 123.7 -23.5 7.5 71.1 8 8 A S + 0 0 0 4,-0.2 -1,-0.1 19,-0.1 21,-0.1 -0.224 61.0 115.2-108.9 42.5 -23.0 11.1 71.9 9 9 A G S > S- 0 0 24 71,-0.4 4,-2.7 35,-0.0 5,-0.5 -0.055 90.9 -64.8 -89.8-160.1 -20.5 12.1 69.3 10 10 A Y H > S+ 0 0 21 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.903 138.0 38.9 -54.8 -44.1 -21.0 14.6 66.4 11 11 A V H > S+ 0 0 38 2,-0.2 4,-2.7 69,-0.2 5,-0.3 0.969 118.3 45.2 -72.8 -55.2 -23.6 12.3 64.8 12 12 A G H > S+ 0 0 0 68,-0.4 4,-2.5 1,-0.2 5,-0.2 0.904 117.6 42.6 -56.1 -47.1 -25.4 11.1 68.0 13 13 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.915 112.9 53.2 -69.4 -42.3 -25.6 14.5 69.6 14 14 A S H X S+ 0 0 0 -4,-1.4 4,-2.5 -5,-0.5 -2,-0.2 0.963 116.6 38.5 -54.1 -54.8 -26.6 16.3 66.4 15 15 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.874 113.4 55.3 -66.7 -40.0 -29.5 13.8 65.8 16 16 A G H X S+ 0 0 0 -4,-2.5 4,-0.9 -5,-0.3 -1,-0.2 0.924 113.3 41.2 -60.7 -43.8 -30.5 13.6 69.4 17 17 A V H >< S+ 0 0 0 -4,-2.5 3,-0.6 2,-0.2 4,-0.4 0.928 114.2 53.1 -70.2 -43.2 -31.0 17.3 69.7 18 18 A L H >< S+ 0 0 2 -4,-2.5 3,-0.9 -5,-0.3 4,-0.3 0.939 114.7 41.1 -54.6 -50.0 -32.6 17.5 66.2 19 19 A L H >X S+ 0 0 0 -4,-3.0 4,-0.7 1,-0.2 3,-0.5 0.624 100.1 75.5 -76.1 -10.7 -35.2 14.9 67.2 20 20 A S T << S+ 0 0 0 -4,-0.9 40,-2.9 -3,-0.6 -1,-0.2 0.501 76.1 77.2 -80.6 -5.1 -35.7 16.3 70.7 21 21 A L T <4 S+ 0 0 44 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.1 0.892 119.8 5.6 -71.8 -40.8 -37.8 19.2 69.6 22 22 A Q T <4 S+ 0 0 170 -3,-0.5 2,-0.3 -4,-0.3 -2,-0.2 0.243 126.6 61.2-129.4 13.3 -40.9 17.1 69.0 23 23 A N S < S- 0 0 21 -4,-0.7 2,-0.9 37,-0.1 37,-0.4 -0.892 84.7-107.0-134.3 165.6 -39.9 13.7 70.3 24 24 A E E -a 2 0A 81 -23,-2.6 -21,-2.6 -2,-0.3 2,-0.4 -0.833 45.7-167.4 -98.9 102.3 -38.7 12.3 73.7 25 25 A V E -ac 3 61A 2 35,-2.8 37,-1.6 -2,-0.9 2,-0.5 -0.764 19.9-176.3-102.5 135.7 -35.0 11.7 73.3 26 26 A T E -ac 4 62A 9 -23,-2.2 -21,-2.6 -2,-0.4 2,-0.5 -0.984 13.5-156.6-126.7 118.1 -32.6 9.8 75.5 27 27 A I E -ac 5 63A 0 35,-2.8 37,-2.0 -2,-0.5 2,-0.4 -0.825 9.2-156.1 -97.1 131.6 -28.9 9.8 74.4 28 28 A V E +ac 6 64A 3 -23,-3.5 -21,-3.2 -2,-0.5 2,-0.3 -0.868 20.6 157.7-109.8 137.7 -26.8 6.9 75.7 29 29 A D - 0 0 19 35,-1.6 38,-0.1 -2,-0.4 52,-0.0 -0.961 42.8-134.8-149.2 166.7 -23.1 6.9 76.1 30 30 A I S S+ 0 0 144 -2,-0.3 3,-0.1 36,-0.1 35,-0.1 0.351 84.3 86.8-103.6 2.2 -20.4 5.1 78.0 31 31 A L >> - 0 0 77 1,-0.1 4,-1.7 2,-0.0 3,-0.6 -0.914 63.6-156.7-107.0 115.2 -18.5 8.3 79.1 32 32 A P H 3> S+ 0 0 70 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.842 91.9 62.0 -56.1 -35.8 -19.9 9.9 82.3 33 33 A S H 3> S+ 0 0 70 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.907 105.1 45.2 -58.8 -44.3 -18.5 13.3 81.2 34 34 A K H <> S+ 0 0 50 -3,-0.6 4,-2.7 2,-0.2 5,-0.2 0.910 112.1 52.1 -68.4 -40.8 -20.7 13.4 78.1 35 35 A V H X S+ 0 0 7 -4,-1.7 4,-2.8 1,-0.2 28,-0.2 0.943 112.2 44.8 -61.2 -47.9 -23.8 12.3 80.0 36 36 A D H X S+ 0 0 93 -4,-2.7 4,-0.7 2,-0.2 -1,-0.2 0.885 113.0 51.6 -65.5 -37.1 -23.4 15.0 82.7 37 37 A K H ><>S+ 0 0 85 -4,-2.1 5,-2.6 -5,-0.3 3,-1.3 0.975 112.9 44.0 -62.6 -54.7 -22.6 17.7 80.1 38 38 A I H ><5S+ 0 0 4 -4,-2.7 3,-2.3 1,-0.3 -2,-0.2 0.931 109.7 55.8 -56.3 -47.2 -25.7 16.9 78.1 39 39 A N H 3<5S+ 0 0 76 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.682 110.5 48.0 -62.5 -12.6 -27.9 16.6 81.1 40 40 A N T <<5S- 0 0 136 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.185 123.7-100.5-112.1 18.4 -26.8 20.1 82.0 41 41 A G T < 5S+ 0 0 36 -3,-2.3 2,-0.4 1,-0.2 -3,-0.2 0.728 80.3 129.5 74.8 24.0 -27.4 21.7 78.6 42 42 A L < - 0 0 99 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.2 -0.932 53.9-133.2-118.5 135.2 -23.8 21.6 77.5 43 43 A S - 0 0 14 -2,-0.4 4,-0.1 1,-0.1 8,-0.0 -0.684 5.0-148.8 -85.3 130.0 -22.4 20.3 74.2 44 44 A P S S+ 0 0 27 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.637 84.4 44.5 -70.6 -15.1 -19.3 18.0 74.5 45 45 A I S S- 0 0 19 -36,-0.1 2,-0.5 2,-0.1 6,-0.1 -0.901 96.3 -97.1-129.9 159.5 -18.2 19.3 71.1 46 46 A Q + 0 0 108 -2,-0.3 100,-0.3 4,-0.1 2,-0.2 -0.656 59.2 139.4 -78.0 122.7 -17.9 22.7 69.5 47 47 A D > - 0 0 5 -2,-0.5 4,-2.6 1,-0.1 5,-0.3 -0.747 44.1-147.2-167.2 111.2 -20.9 23.3 67.3 48 48 A E H > S+ 0 0 151 98,-0.4 4,-1.8 -2,-0.2 5,-0.1 0.869 98.1 42.9 -49.8 -46.9 -22.7 26.6 67.0 49 49 A Y H > S+ 0 0 77 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.901 112.8 49.6 -73.3 -41.4 -26.2 25.2 66.5 50 50 A I H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.948 113.2 48.9 -61.6 -44.7 -26.1 22.4 69.0 51 51 A E H X S+ 0 0 89 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.912 113.5 47.5 -60.3 -41.0 -24.9 24.9 71.6 52 52 A Y H X S+ 0 0 126 -4,-1.8 4,-2.9 -5,-0.3 5,-0.3 0.908 113.2 46.7 -68.5 -42.5 -27.7 27.2 70.6 53 53 A Y H X S+ 0 0 12 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.947 111.9 49.6 -66.4 -45.3 -30.4 24.6 70.7 54 54 A L H < S+ 0 0 21 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.911 119.0 40.7 -59.3 -38.9 -29.3 23.1 74.1 55 55 A K H < S+ 0 0 173 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.863 131.3 17.3 -79.0 -38.2 -29.2 26.6 75.6 56 56 A S H < S+ 0 0 64 -4,-2.9 2,-0.3 -5,-0.2 -3,-0.2 0.503 100.2 86.0-121.2 0.9 -32.3 28.2 74.0 57 57 A K S < S- 0 0 85 -4,-2.4 2,-1.1 -5,-0.3 -36,-0.0 -0.715 77.9-111.1-105.7 155.5 -34.8 25.6 72.6 58 58 A Q + 0 0 184 -2,-0.3 2,-0.4 2,-0.1 -4,-0.1 -0.706 53.3 174.8 -77.9 99.1 -37.6 23.6 74.3 59 59 A L - 0 0 39 -2,-1.1 2,-1.0 -5,-0.2 -38,-0.2 -0.900 36.7-151.6-116.0 141.9 -35.9 20.2 74.1 60 60 A S + 0 0 53 -40,-2.9 -35,-2.8 -37,-0.4 2,-0.4 -0.757 54.6 131.1-104.9 82.1 -37.1 16.9 75.4 61 61 A I E +c 25 0A 35 -2,-1.0 2,-0.3 -37,-0.2 -35,-0.2 -0.996 24.8 160.8-141.5 138.5 -33.6 15.4 75.9 62 62 A K E -c 26 0A 94 -37,-1.6 -35,-2.8 -2,-0.4 2,-0.3 -0.967 24.0-136.2-147.3 161.7 -31.7 13.6 78.6 63 63 A A E +c 27 0A 6 -2,-0.3 2,-0.3 -28,-0.2 -35,-0.2 -0.853 21.3 176.6-121.1 155.3 -28.6 11.5 78.7 64 64 A T E -c 28 0A 36 -37,-2.0 -35,-1.6 -2,-0.3 -2,-0.0 -0.994 36.7-148.6-154.9 158.1 -27.8 8.3 80.6 65 65 A L S S+ 0 0 85 -2,-0.3 2,-2.0 -37,-0.2 3,-0.2 0.537 79.6 99.7 -97.9 -14.4 -25.2 5.6 81.1 66 66 A D > + 0 0 88 1,-0.2 4,-2.0 2,-0.1 3,-0.3 -0.487 49.4 174.8 -77.4 78.1 -28.0 3.1 81.7 67 67 A S H > S+ 0 0 19 -2,-2.0 4,-2.9 1,-0.2 5,-0.2 0.899 74.9 48.4 -47.2 -56.6 -28.1 1.5 78.3 68 68 A K H > S+ 0 0 136 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.854 110.0 51.5 -60.2 -36.9 -30.7 -1.2 79.1 69 69 A A H > S+ 0 0 48 -3,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.907 113.5 45.0 -68.9 -38.8 -33.1 1.3 80.7 70 70 A A H X S+ 0 0 6 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.936 115.9 45.3 -68.6 -47.8 -33.0 3.6 77.7 71 71 A Y H < S+ 0 0 3 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.789 107.3 57.7 -69.1 -29.2 -33.3 0.8 75.0 72 72 A K H < S+ 0 0 148 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.903 111.0 43.2 -67.0 -39.8 -36.1 -1.0 76.8 73 73 A E H < S+ 0 0 81 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.651 93.8 108.1 -78.4 -20.9 -38.3 2.1 76.7 74 74 A A < - 0 0 2 -4,-1.0 37,-0.3 1,-0.1 -71,-0.2 -0.231 49.0-166.0 -67.9 147.1 -37.5 3.2 73.1 75 75 A E S S+ 0 0 91 -73,-3.1 37,-0.9 1,-0.4 2,-0.3 0.652 89.1 15.8 -97.5 -26.4 -39.8 3.0 70.1 76 76 A L E S-bd 3 112A 2 -74,-1.1 -72,-2.3 35,-0.2 2,-0.5 -0.984 71.4-154.6-144.5 142.6 -36.9 3.5 67.8 77 77 A V E -bd 4 113A 0 35,-1.8 37,-3.4 -2,-0.3 2,-0.5 -0.987 5.0-158.8-124.9 126.8 -33.2 3.2 68.5 78 78 A I E -bd 5 114A 0 -74,-3.0 -72,-3.3 -2,-0.5 2,-0.6 -0.902 9.2-149.6-106.1 126.6 -30.6 5.1 66.5 79 79 A I E +bd 6 115A 0 35,-2.7 37,-3.1 -2,-0.5 38,-1.7 -0.870 29.9 156.3-102.5 117.3 -27.1 3.8 66.5 80 80 A A + 0 0 11 -74,-2.8 -68,-0.4 -2,-0.6 -71,-0.4 -0.255 27.1 134.8-131.5 44.0 -24.3 6.3 66.2 81 81 A T - 0 0 24 1,-0.2 16,-0.1 -70,-0.1 -74,-0.1 -0.391 62.3 -70.3 -88.5 170.3 -21.3 4.6 67.8 82 82 A P - 0 0 61 0, 0.0 14,-0.2 0, 0.0 -1,-0.2 -0.169 34.2-171.5 -61.1 152.4 -17.8 4.5 66.4 83 83 A T - 0 0 4 13,-0.1 11,-0.1 -3,-0.1 2,-0.1 -0.627 18.2-176.2-140.7 78.6 -16.8 2.4 63.3 84 84 A N - 0 0 69 9,-0.5 9,-3.2 -2,-0.1 2,-0.5 -0.449 28.6-119.2 -76.7 147.8 -13.0 2.6 63.1 85 85 A Y E -F 92 0B 54 7,-0.3 2,-0.6 -2,-0.1 7,-0.3 -0.758 27.0-151.6 -85.3 132.3 -11.0 1.1 60.3 86 86 A N E >> -F 91 0B 46 5,-3.0 5,-1.6 -2,-0.5 4,-0.8 -0.923 7.3-158.8-110.2 114.7 -8.6 -1.6 61.7 87 87 A S T 45S+ 0 0 87 -2,-0.6 -1,-0.1 1,-0.2 3,-0.1 0.771 88.8 59.0 -62.7 -28.1 -5.4 -2.1 59.7 88 88 A R T 45S+ 0 0 225 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.925 114.2 33.8 -68.6 -45.9 -4.8 -5.6 61.1 89 89 A I T 45S- 0 0 97 2,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.466 102.9-127.9 -89.6 1.4 -8.1 -7.0 59.9 90 90 A N T <5S+ 0 0 104 -4,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.909 79.5 72.4 54.8 44.5 -8.2 -4.9 56.7 91 91 A Y E > + 0 0 17 -2,-0.9 4,-2.6 1,-0.2 3,-0.7 0.151 44.5 113.1 -96.2 20.0 -17.9 -3.1 64.0 95 95 A Q H 3> S+ 0 0 103 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.855 73.5 53.9 -61.1 -38.2 -17.9 -4.2 67.6 96 96 A H H 3> S+ 0 0 61 -3,-0.4 4,-0.7 -14,-0.2 -1,-0.2 0.726 112.8 43.5 -70.5 -23.2 -19.3 -1.0 69.0 97 97 A V H <> S+ 0 0 0 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.890 115.8 48.0 -84.2 -46.5 -22.3 -1.2 66.6 98 98 A E H X S+ 0 0 38 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.878 107.4 55.3 -62.0 -39.8 -22.8 -4.9 67.2 99 99 A T H X S+ 0 0 70 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.927 110.0 47.2 -62.0 -39.7 -22.6 -4.6 70.9 100 100 A V H X S+ 0 0 7 -4,-0.7 4,-2.9 -5,-0.2 5,-0.3 0.932 109.8 51.9 -67.6 -40.6 -25.4 -2.0 70.8 101 101 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.953 111.2 48.8 -58.5 -47.5 -27.6 -4.2 68.4 102 102 A K H X S+ 0 0 143 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.930 112.4 47.1 -56.9 -49.6 -27.2 -7.1 70.8 103 103 A E H X S+ 0 0 56 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.919 113.8 47.8 -60.5 -47.3 -28.2 -5.0 73.9 104 104 A V H >X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 3,-0.9 0.945 112.4 48.4 -61.5 -46.6 -31.2 -3.4 72.2 105 105 A L H 3< S+ 0 0 37 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.857 105.3 59.5 -64.5 -31.8 -32.5 -6.8 70.9 106 106 A S H 3< S+ 0 0 85 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.716 120.5 24.1 -70.8 -18.8 -32.1 -8.4 74.3 107 107 A V H << S+ 0 0 52 -3,-0.9 2,-0.4 -4,-0.9 -1,-0.2 0.414 117.5 58.5-125.8 1.0 -34.5 -5.9 76.0 108 108 A N < + 0 0 3 -4,-1.5 -1,-0.2 -5,-0.1 -36,-0.1 -0.944 45.7 176.3-139.5 117.8 -36.7 -4.6 73.3 109 109 A S S S+ 0 0 103 -2,-0.4 -1,-0.1 -37,-0.1 -4,-0.1 0.390 80.7 35.9 -98.9 1.9 -38.9 -6.8 71.1 110 110 A H S S+ 0 0 90 -36,-0.2 -1,-0.1 2,-0.0 -35,-0.1 0.699 84.6 99.6-125.8 -31.6 -40.7 -4.1 69.0 111 111 A A - 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0 0 82 -5,-3.2 2,-1.0 -6,-0.2 -1,-0.2 -0.705 59.0-100.0-106.4 158.4 3.7 27.0 38.5 231 231 A N > - 0 0 101 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 -0.697 32.9-167.5 -82.0 103.8 1.0 29.2 40.1 232 232 A S H > S+ 0 0 8 -2,-1.0 4,-2.7 1,-0.2 5,-0.3 0.850 84.0 55.7 -61.0 -38.1 -1.4 26.6 41.7 233 233 A H H > S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.919 107.2 49.6 -63.9 -41.5 -4.1 29.2 42.3 234 234 A M H > S+ 0 0 119 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 113.4 45.7 -64.4 -42.9 -4.2 30.2 38.6 235 235 A I H X S+ 0 0 58 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.936 115.3 45.8 -66.2 -46.7 -4.4 26.6 37.4 236 236 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.901 112.8 50.2 -64.3 -38.0 -7.1 25.6 40.0 237 237 A Q H X S+ 0 0 60 -4,-2.5 4,-1.2 -5,-0.3 -1,-0.2 0.942 109.3 54.0 -65.3 -42.5 -9.1 28.7 39.3 238 238 A G H < S+ 0 0 50 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.864 114.6 37.2 -61.6 -41.0 -8.9 28.0 35.6 239 239 A I H >< S+ 0 0 46 -4,-2.1 3,-1.7 1,-0.2 7,-0.3 0.841 110.2 62.0 -81.2 -32.0 -10.3 24.4 35.8 240 240 A S H 3< S+ 0 0 1 -4,-2.6 6,-0.5 1,-0.3 -2,-0.2 0.700 87.2 72.2 -66.4 -20.0 -12.8 25.3 38.5 241 241 A Y T 3< S+ 0 0 139 -4,-1.2 2,-0.8 -3,-0.2 -1,-0.3 0.581 75.4 91.8 -69.3 -10.6 -14.6 27.8 36.2 242 242 A D S X> S- 0 0 53 -3,-1.7 3,-2.7 1,-0.1 4,-2.5 -0.783 78.7-147.0 -79.8 113.0 -15.9 24.7 34.3 243 243 A D T 34 S+ 0 0 151 -2,-0.8 -1,-0.1 1,-0.3 -3,-0.1 0.625 95.4 65.9 -65.0 -5.8 -19.2 24.2 36.2 244 244 A R T 34 S+ 0 0 212 1,-0.1 -1,-0.3 2,-0.1 -4,-0.1 0.641 113.9 32.9 -81.5 -17.5 -18.9 20.4 35.8 245 245 A I T <4 S- 0 0 53 -3,-2.7 -2,-0.2 -6,-0.2 3,-0.2 0.809 105.0-160.0-101.1 -57.5 -15.8 20.7 38.0 246 246 A G < - 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0 0 29 -2,-0.5 -15,-0.1 -17,-0.2 -14,-0.1 -0.973 46.0-149.4-156.6 154.6 1.6 25.9 53.6 396 396 A R + 0 0 45 -17,-0.3 -16,-0.1 -16,-0.3 -15,-0.1 0.310 57.0 130.0-110.0 5.7 -0.2 24.8 50.4 397 397 A D + 0 0 30 -18,-0.3 -144,-0.1 -17,-0.2 -2,-0.1 -0.321 23.7 164.7 -57.6 133.9 -3.5 26.4 51.6 398 398 A I + 0 0 51 -146,-0.3 -1,-0.2 3,-0.2 -147,-0.1 0.712 68.6 32.5-117.2 -53.1 -4.9 28.7 48.9 399 399 A F S S- 0 0 59 2,-0.2 3,-0.1 -147,-0.1 -2,-0.1 0.459 93.9-123.1 -91.1 -4.8 -8.5 29.5 49.6 400 400 A G S S+ 0 0 52 1,-0.2 2,-0.3 -17,-0.0 -19,-0.1 0.874 76.4 87.3 67.6 41.3 -8.6 29.6 53.5 401 401 A R 0 0 87 -80,-0.0 -1,-0.2 -79,-0.0 -2,-0.2 -0.972 360.0 360.0-160.6 166.5 -11.3 27.0 53.9 402 402 A D 0 0 80 -2,-0.3 -81,-2.6 -81,-0.1 -2,-0.0 -0.153 360.0 360.0 51.4 360.0 -11.9 23.3 54.3