==== 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 TRANSFERASE 20-FEB-09 3GBU . COMPND 2 MOLECULE: UNCHARACTERIZED SUGAR KINASE PH1459; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR S.ESWARAMOORTHY,G.KUMAR,Z.ZHANG,S.K.BURLEY,S.SWAMINATHAN,NEW . 1208 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48528.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 885 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 160 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 8.9 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 . 4 0.3 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 . 2 0.2 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 . 94 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 344 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 3 1 6 0 3 1 0 4 9 0 4 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 0 4 14 10 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 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 2 4 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 L 0 0 83 0, 0.0 123,-3.4 0, 0.0 124,-1.5 0.000 360.0 360.0 360.0 -34.1 28.7 17.8 41.5 2 4 A I E -ab 48 125A 1 45,-2.0 47,-2.1 121,-0.2 2,-0.4 -0.943 360.0-173.8-121.0 122.5 26.1 16.3 39.1 3 5 A A E -ab 49 126A 2 122,-2.3 124,-3.1 -2,-0.5 2,-0.4 -0.900 7.5-160.8-115.2 142.2 25.2 12.6 39.1 4 6 A S E -ab 50 127A 0 45,-2.7 47,-3.1 -2,-0.4 2,-0.4 -0.954 5.0-167.5-119.4 140.6 23.0 10.7 36.8 5 7 A I E +ab 51 128A 2 122,-2.8 124,-1.0 -2,-0.4 2,-0.3 -0.992 41.9 56.5-131.5 125.0 21.4 7.4 37.6 6 8 A G S S+ 0 0 0 45,-1.9 47,-0.3 -2,-0.4 -2,-0.1 -0.999 77.2 7.6 159.5-157.4 19.8 5.1 35.0 7 9 A E + 0 0 5 -2,-0.3 28,-0.8 45,-0.1 2,-0.4 -0.252 42.7 177.0 -63.4 139.1 20.1 3.2 31.7 8 10 A L + 0 0 0 45,-0.3 78,-0.6 26,-0.1 2,-0.3 -0.965 24.4 143.5-141.8 122.2 23.4 2.9 29.9 9 11 A L E -Ij 31 86B 8 22,-2.2 22,-2.8 -2,-0.4 2,-0.5 -0.923 51.1 -88.7-154.9 176.5 23.4 0.8 26.8 10 12 A I E -Ij 30 87B 0 76,-2.6 78,-2.3 -2,-0.3 2,-0.6 -0.852 32.2-151.8 -97.8 123.0 24.6 0.1 23.3 11 13 A D E -Ij 29 88B 25 18,-3.0 18,-1.9 -2,-0.5 2,-0.9 -0.856 1.9-158.3 -93.5 124.9 22.5 1.7 20.5 12 14 A L E -Ij 28 89B 0 76,-3.3 78,-3.0 -2,-0.6 2,-0.5 -0.886 19.5-159.2-104.9 97.8 22.7 -0.3 17.3 13 15 A I E -Ij 27 90B 28 14,-2.7 14,-2.3 -2,-0.9 78,-0.2 -0.718 17.7-121.1 -88.5 120.5 21.8 2.4 14.8 14 16 A S E -I 26 0B 3 76,-3.0 78,-0.3 -2,-0.5 12,-0.2 -0.379 17.4-157.0 -56.1 124.8 20.5 1.5 11.4 15 17 A V S S+ 0 0 2 10,-2.4 2,-0.3 -2,-0.1 -1,-0.2 0.719 75.0 42.7 -79.8 -20.2 22.9 3.0 8.9 16 18 A E S S- 0 0 18 9,-0.5 77,-0.2 606,-0.1 606,-0.1 -0.799 92.1 -96.0-122.8 166.3 20.3 3.0 6.2 17 19 A E S S+ 0 0 56 -2,-0.3 2,-0.1 75,-0.1 -1,-0.1 -0.244 71.0 76.5 -73.1 165.3 16.6 3.8 5.9 18 20 A G S S- 0 0 40 5,-0.1 75,-0.1 -4,-0.1 -4,-0.1 -0.396 84.5 -48.2 118.5 163.1 13.9 1.1 6.2 19 21 A D >> - 0 0 69 -2,-0.1 4,-1.5 1,-0.1 3,-1.2 -0.322 56.4-112.4 -63.6 151.8 12.1 -1.0 8.7 20 22 A L T 34 S+ 0 0 1 1,-0.3 -1,-0.1 2,-0.2 70,-0.0 0.813 116.1 68.6 -57.4 -29.4 14.4 -2.8 11.2 21 23 A K T 34 S+ 0 0 30 1,-0.2 -1,-0.3 950,-0.0 -3,-0.0 0.881 110.7 30.9 -56.8 -39.0 13.3 -6.0 9.5 22 24 A D T <4 S+ 0 0 86 -3,-1.2 -1,-0.2 949,-0.0 -2,-0.2 0.622 87.6 117.4 -97.9 -15.2 15.2 -5.0 6.3 23 25 A V < - 0 0 1 -4,-1.5 914,-0.1 1,-0.1 -5,-0.1 -0.320 39.6-173.4 -57.1 131.6 18.0 -2.9 7.7 24 26 A R + 0 0 96 1,-0.2 913,-2.0 912,-0.1 2,-0.4 0.803 60.6 46.8 -97.0 -37.4 21.4 -4.6 6.9 25 27 A L E - K 0 936B 7 911,-0.2 -10,-2.4 896,-0.0 -9,-0.5 -0.910 57.2-172.6-117.2 141.5 24.0 -2.5 8.7 26 28 A F E -IK 14 935B 0 909,-2.6 909,-2.8 -2,-0.4 2,-0.5 -0.989 11.0-152.8-131.5 137.2 24.1 -1.3 12.3 27 29 A E E -IK 13 934B 23 -14,-2.3 -14,-2.7 -2,-0.4 2,-0.4 -0.930 20.1-134.4-110.0 127.5 26.6 1.1 13.8 28 30 A K E +I 12 0B 5 905,-2.0 -16,-0.2 -2,-0.5 -18,-0.0 -0.685 33.2 158.7 -90.7 135.7 27.2 0.8 17.5 29 31 A H E -I 11 0B 62 -18,-1.9 -18,-3.0 -2,-0.4 2,-0.2 -0.951 45.8 -88.5-145.1 162.1 27.3 3.8 19.8 30 32 A P E +I 10 0B 11 0, 0.0 2,-0.3 0, 0.0 253,-0.2 -0.532 54.0 171.4 -75.0 140.2 26.9 4.6 23.5 31 33 A G E +I 9 0B 0 -22,-2.8 -22,-2.2 -2,-0.2 4,-0.1 -0.878 22.3 107.2-142.9 176.4 23.3 5.4 24.5 32 34 A G >> - 0 0 8 -2,-0.3 4,-3.1 -24,-0.2 3,-0.6 0.323 59.9-115.8 115.5 113.2 20.9 6.0 27.4 33 35 A A H 3> S+ 0 0 14 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.860 115.1 48.0 -41.2 -55.5 19.4 9.3 28.4 34 36 A P H 3> S+ 0 0 1 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.893 115.2 46.6 -57.2 -39.7 21.1 9.5 31.8 35 37 A A H <> S+ 0 0 0 -28,-0.8 4,-2.2 -3,-0.6 -2,-0.2 0.920 111.8 51.0 -67.6 -43.7 24.4 8.6 30.2 36 38 A N H X S+ 0 0 11 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.888 112.2 46.6 -61.1 -40.3 23.8 11.1 27.4 37 39 A V H X S+ 0 0 3 -4,-2.9 4,-2.8 -5,-0.3 -1,-0.2 0.886 108.4 55.5 -69.1 -39.5 23.1 13.8 30.0 38 40 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.910 109.9 46.7 -60.0 -42.2 26.2 12.9 32.1 39 41 A V H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.930 111.6 51.1 -65.5 -44.1 28.4 13.4 29.0 40 42 A G H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.896 110.6 48.9 -59.5 -41.5 26.7 16.7 28.2 41 43 A V H <>S+ 0 0 0 -4,-2.8 5,-1.9 2,-0.2 3,-0.4 0.930 111.2 49.7 -63.6 -47.2 27.3 17.9 31.7 42 44 A S H ><5S+ 0 0 17 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.909 108.3 53.4 -58.3 -44.3 30.9 16.9 31.6 43 45 A R H 3<5S+ 0 0 45 -4,-2.6 246,-2.5 1,-0.3 -1,-0.2 0.791 101.8 59.0 -63.5 -29.5 31.4 18.7 28.3 44 46 A L T 3<5S- 0 0 2 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.401 126.5 -99.3 -80.5 3.0 30.0 21.9 29.7 45 47 A G T < 5S+ 0 0 46 -3,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.575 84.5 120.7 94.5 8.3 32.8 21.8 32.3 46 48 A V < - 0 0 8 -5,-1.9 -1,-0.3 -45,-0.0 -2,-0.2 -0.903 68.0-112.6-108.8 134.1 31.0 20.4 35.3 47 49 A K - 0 0 157 -2,-0.4 -45,-2.0 -3,-0.1 2,-0.3 -0.424 43.8-176.4 -63.9 129.8 32.2 17.2 37.0 48 50 A S E -a 2 0A 2 23,-0.4 25,-3.0 -47,-0.2 2,-0.3 -0.968 15.3-160.5-134.2 151.5 29.6 14.5 36.4 49 51 A S E -ac 3 73A 12 -47,-2.1 -45,-2.7 -2,-0.3 2,-0.4 -0.909 7.8-147.6-127.5 153.1 29.1 10.9 37.5 50 52 A L E -a 4 0A 0 23,-1.9 2,-0.6 -2,-0.3 26,-0.3 -0.987 3.3-162.4-125.0 128.7 27.0 8.0 36.2 51 53 A I E +a 5 0A 5 -47,-3.1 -45,-1.9 -2,-0.4 2,-0.3 -0.954 42.7 114.7-108.2 118.8 25.5 5.3 38.4 52 54 A S E -p 77 0C 1 24,-1.5 26,-2.3 -2,-0.6 2,-0.4 -0.895 54.1-113.2-162.7-168.8 24.5 2.4 36.2 53 55 A K E +p 78 0C 13 -47,-0.3 33,-0.3 -2,-0.3 -45,-0.3 -0.975 24.9 174.0-149.6 129.2 25.1 -1.3 35.5 54 56 A V E -p 79 0C 0 24,-2.8 26,-3.1 -2,-0.4 2,-0.1 -0.748 37.2 -92.4-123.8 173.7 26.5 -3.0 32.4 55 57 A G E -p 80 0C 0 24,-0.3 2,-2.0 -2,-0.2 29,-0.2 -0.428 36.2-106.0 -86.2 163.8 27.5 -6.6 31.8 56 58 A N S S+ 0 0 81 24,-1.7 -1,-0.1 27,-0.4 23,-0.1 -0.576 88.7 99.9 -85.1 72.2 30.9 -8.1 32.3 57 59 A D S > S- 0 0 10 -2,-2.0 4,-2.1 1,-0.0 3,-0.3 -0.886 92.4 -84.7-146.9 177.1 31.4 -8.2 28.6 58 60 A P H > S+ 0 0 29 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.871 124.8 51.2 -56.8 -38.9 33.0 -6.4 25.6 59 61 A F H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.836 107.6 52.4 -69.4 -33.2 30.1 -4.0 25.3 60 62 A G H > S+ 0 0 0 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.936 110.9 47.6 -66.6 -44.0 30.1 -3.1 29.0 61 63 A E H X S+ 0 0 71 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.862 109.3 54.8 -63.1 -38.3 33.9 -2.3 28.7 62 64 A Y H X S+ 0 0 21 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.960 108.5 47.5 -58.8 -54.2 33.2 -0.2 25.6 63 65 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.901 111.7 49.3 -56.4 -45.8 30.6 1.9 27.3 64 66 A I H X S+ 0 0 32 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.902 112.8 49.0 -62.2 -40.6 32.8 2.5 30.4 65 67 A E H X S+ 0 0 73 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.933 109.9 49.5 -66.0 -45.3 35.7 3.5 28.1 66 68 A E H X S+ 0 0 42 -4,-2.8 4,-0.9 1,-0.2 -2,-0.2 0.912 112.2 49.0 -61.2 -41.6 33.6 5.9 26.0 67 69 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.2 -5,-0.2 3,-0.6 0.910 109.3 52.9 -64.6 -40.2 32.3 7.6 29.2 68 70 A S H ><5S+ 0 0 55 -4,-2.2 3,-2.2 1,-0.3 -2,-0.2 0.889 102.3 57.1 -63.1 -38.8 35.9 7.9 30.6 69 71 A K H 3<5S+ 0 0 99 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.793 105.8 52.6 -61.4 -26.0 37.1 9.6 27.4 70 72 A E T <<5S- 0 0 41 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.287 119.6-115.1 -91.3 9.9 34.4 12.2 28.1 71 73 A N T < 5 + 0 0 115 -3,-2.2 -23,-0.4 1,-0.2 2,-0.4 0.661 63.4 152.4 64.9 19.5 35.8 12.6 31.7 72 74 A V < - 0 0 4 -5,-2.2 2,-0.4 -6,-0.1 -1,-0.2 -0.656 53.9-113.0 -79.4 133.5 32.6 11.2 33.2 73 75 A D B -c 49 0A 34 -25,-3.0 -23,-1.9 -2,-0.4 3,-0.2 -0.557 36.3-179.3 -68.5 120.8 33.2 9.5 36.6 74 76 A T > + 0 0 28 -2,-0.4 3,-2.3 -25,-0.2 -1,-0.1 0.351 50.6 104.3-106.2 5.5 32.6 5.8 36.0 75 77 A R T 3 S+ 0 0 148 1,-0.3 -1,-0.2 -24,-0.0 -24,-0.1 0.808 79.8 58.4 -56.8 -28.5 33.3 4.4 39.5 76 78 A G T 3 S+ 0 0 1 -26,-0.3 -24,-1.5 -3,-0.2 2,-0.7 0.306 82.0 98.2 -85.8 9.1 29.5 4.1 40.0 77 79 A I E < -p 52 0C 15 -3,-2.3 -24,-0.2 -26,-0.2 2,-0.2 -0.891 61.4-162.0-101.1 115.9 29.1 1.8 37.0 78 80 A V E -p 53 0C 43 -26,-2.3 -24,-2.8 -2,-0.7 2,-0.5 -0.607 14.1-126.9 -96.6 154.2 28.9 -1.8 38.1 79 81 A K E -p 54 0C 88 -2,-0.2 2,-0.5 -26,-0.2 -24,-0.3 -0.897 16.7-141.1-104.9 127.9 29.4 -5.0 36.1 80 82 A D E -p 55 0C 9 -26,-3.1 -24,-1.7 -2,-0.5 26,-0.1 -0.750 3.2-156.6 -86.2 125.2 26.7 -7.6 36.3 81 83 A E S S+ 0 0 131 -2,-0.5 -1,-0.1 -26,-0.2 -26,-0.1 0.658 91.1 27.6 -76.6 -14.2 28.2 -11.1 36.3 82 84 A K S S+ 0 0 166 1,-0.1 24,-0.1 2,-0.1 -1,-0.1 0.807 108.6 63.7-107.4 -66.9 25.0 -12.6 34.9 83 85 A K S S- 0 0 58 22,-0.1 -27,-0.4 1,-0.1 -3,-0.2 -0.313 77.3-125.1 -67.3 142.2 23.1 -10.2 32.8 84 86 A H - 0 0 42 20,-0.4 22,-2.9 -29,-0.2 23,-0.2 -0.425 38.8 -76.9 -85.4 161.6 24.6 -8.8 29.6 85 87 A T - 0 0 0 20,-0.2 -1,-0.2 21,-0.1 -31,-0.1 -0.206 58.8 -96.3 -55.6 140.3 25.1 -5.1 28.7 86 88 A G E -j 9 0B 0 -78,-0.6 -76,-2.6 -33,-0.3 2,-0.3 -0.276 46.9-175.5 -61.2 146.8 21.9 -3.3 27.6 87 89 A I E -jL 10 102B 0 15,-0.5 15,-1.9 -78,-0.2 2,-0.3 -0.994 14.3-175.3-144.5 148.2 21.2 -3.1 23.8 88 90 A V E -jL 11 101B 10 -78,-2.3 -76,-3.3 -2,-0.3 2,-0.5 -0.967 17.4-145.8-147.3 128.9 18.7 -1.4 21.5 89 91 A F E -jL 12 100B 0 11,-2.5 11,-2.6 -2,-0.3 2,-0.4 -0.823 31.1-171.2 -91.2 128.0 18.4 -1.7 17.8 90 92 A V E -jL 13 99B 15 -78,-3.0 -76,-3.0 -2,-0.5 2,-0.6 -0.963 31.3-164.3-132.4 144.8 17.1 1.6 16.4 91 93 A Q E + L 0 98B 8 7,-3.0 7,-2.1 -2,-0.4 -71,-0.1 -0.967 15.7 173.5-119.3 105.3 15.9 3.1 13.2 92 94 A L + 0 0 76 -2,-0.6 -1,-0.1 -78,-0.3 -75,-0.1 0.666 52.7 86.6 -85.8 -19.7 16.1 6.9 13.7 93 95 A K + 0 0 50 -77,-0.2 3,-0.2 -79,-0.1 5,-0.1 -0.257 67.1 35.4 -82.7 167.5 15.2 7.6 10.1 94 96 A G S S- 0 0 65 1,-0.2 -3,-0.0 3,-0.1 -77,-0.0 -0.257 96.4 -72.8 85.9-176.7 11.8 8.0 8.3 95 97 A A S S+ 0 0 106 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.0 0.679 127.2 52.1 -89.4 -20.5 8.6 9.5 9.6 96 98 A S S S- 0 0 102 -3,-0.2 -1,-0.2 2,-0.0 -3,-0.1 -0.561 79.7-165.1-117.2 66.7 8.0 6.5 11.8 97 99 A P - 0 0 82 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.118 15.1-176.3 -48.6 144.5 11.2 6.0 13.9 98 100 A S E -L 91 0B 37 -7,-2.1 -7,-3.0 -5,-0.1 2,-0.3 -0.932 14.6-170.7-143.9 167.5 11.3 2.6 15.6 99 101 A F E -L 90 0B 72 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.988 19.4-145.1-156.4 162.5 13.3 0.5 18.0 100 102 A L E -L 89 0B 9 -11,-2.6 -11,-2.5 -2,-0.3 2,-0.4 -0.928 25.0-168.5-133.3 104.4 13.7 -3.0 19.4 101 103 A L E -L 88 0B 21 -2,-0.4 2,-0.6 -13,-0.2 -13,-0.2 -0.835 15.5-142.1-101.6 131.1 14.9 -2.9 23.0 102 104 A Y E -L 87 0B 10 -15,-1.9 -15,-0.5 -2,-0.4 3,-0.1 -0.811 17.4-171.2 -91.3 119.8 16.1 -6.0 24.9 103 105 A D + 0 0 41 -2,-0.6 2,-1.9 1,-0.2 5,-0.1 0.723 64.5 76.2 -89.7 -23.2 14.9 -5.8 28.5 104 106 A D S S+ 0 0 54 909,-0.2 -20,-0.4 3,-0.1 2,-0.3 -0.575 78.1 118.9 -89.2 78.9 16.5 -8.6 30.5 105 107 A V S > S- 0 0 1 -2,-1.9 3,-1.3 -22,-0.1 4,-0.4 -0.867 77.4 -87.3-137.1 169.9 19.9 -6.8 30.7 106 108 A A G > S+ 0 0 0 -22,-2.9 3,-1.7 -2,-0.3 -52,-0.2 0.805 115.0 55.7 -48.4 -48.3 22.3 -5.3 33.2 107 109 A Y G 3 S+ 0 0 0 1,-0.3 3,-0.5 -99,-0.3 -1,-0.2 0.741 107.0 52.3 -65.5 -19.5 20.9 -1.8 33.8 108 110 A F G < S+ 0 0 6 -3,-1.3 30,-1.8 1,-0.2 -1,-0.3 0.491 99.9 67.9 -89.8 -4.3 17.5 -3.2 34.7 109 111 A N < + 0 0 38 -3,-1.7 2,-0.3 -4,-0.4 -1,-0.2 -0.054 68.4 140.9-106.7 33.2 19.1 -5.5 37.3 110 112 A X - 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0 0 22 28,-0.3 2,-0.2 1,-0.2 -29,-0.1 0.814 23.2-150.0 29.5 64.5 11.1 10.5 28.7 161 163 A L + 0 0 24 1,-0.1 2,-0.3 -31,-0.1 -1,-0.2 -0.407 27.4 173.2 -69.0 127.1 8.0 8.5 28.1 162 164 A R > - 0 0 91 -2,-0.2 3,-2.2 1,-0.1 4,-0.2 -0.744 6.4-176.0-134.2 83.2 8.3 5.2 26.3 163 165 A L G > S+ 0 0 71 -2,-0.3 3,-2.6 1,-0.3 4,-0.2 0.809 78.1 67.6 -50.0 -39.7 5.0 3.4 26.3 164 166 A D G > S+ 0 0 88 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.760 94.7 60.9 -55.4 -23.6 6.3 0.3 24.6 165 167 A L G < S+ 0 0 10 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.571 107.1 43.9 -80.9 -8.7 8.3 -0.4 27.8 166 168 A W G X S+ 0 0 0 -3,-2.6 3,-2.6 -4,-0.2 -1,-0.2 0.172 71.6 146.4-121.4 17.8 5.1 -0.6 29.9 167 169 A R T < S+ 0 0 152 -3,-0.7 -3,-0.0 1,-0.3 -4,-0.0 -0.343 78.6 15.7 -59.7 130.5 2.7 -2.7 27.9 168 170 A G T 3 S+ 0 0 86 -2,-0.0 -1,-0.3 1,-0.0 3,-0.0 0.352 125.7 60.7 89.1 -8.1 0.6 -4.7 30.4 169 171 A Q <> + 0 0 52 -3,-2.6 4,-2.1 2,-0.1 -2,-0.2 -0.048 57.7 128.3-140.6 35.9 1.6 -2.5 33.3 170 172 A E H > S+ 0 0 94 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.815 72.7 56.7 -63.7 -33.5 0.4 0.9 32.3 171 173 A E H > S+ 0 0 161 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.938 110.0 45.5 -63.7 -44.7 -1.5 1.5 35.5 172 174 A E H > S+ 0 0 73 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.886 108.3 58.6 -63.6 -38.3 1.8 0.9 37.4 173 175 A X H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.940 104.9 49.3 -55.3 -50.8 3.5 3.2 34.9 174 176 A I H X S+ 0 0 26 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.884 112.7 48.6 -57.3 -40.9 1.1 6.0 35.8 175 177 A K H X S+ 0 0 114 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.934 112.9 44.8 -67.3 -47.5 1.8 5.5 39.5 176 178 A V H X S+ 0 0 4 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.916 113.3 50.7 -64.5 -42.0 5.6 5.4 39.2 177 179 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.3 -1,-0.2 0.936 112.0 47.2 -60.9 -46.2 5.7 8.4 37.0 178 180 A E H X S+ 0 0 60 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.913 112.5 49.5 -62.0 -42.8 3.6 10.4 39.3 179 181 A E H X S+ 0 0 103 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.905 111.8 49.2 -61.1 -43.4 5.7 9.3 42.3 180 182 A S H X S+ 0 0 0 -4,-2.7 4,-0.7 2,-0.2 -2,-0.2 0.875 110.7 49.6 -63.2 -41.4 8.9 10.3 40.5 181 183 A I H >< S+ 0 0 5 -4,-2.5 3,-0.9 1,-0.2 26,-0.3 0.914 109.2 50.9 -66.0 -43.2 7.5 13.7 39.5 182 184 A K H 3< S+ 0 0 156 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.717 109.3 53.1 -68.0 -19.5 6.4 14.4 43.1 183 185 A L H 3< S+ 0 0 25 -4,-1.0 2,-0.3 -5,-0.2 -1,-0.3 0.646 96.5 90.7 -87.3 -15.7 9.9 13.5 44.2 184 186 A A << - 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0 0 2 -3,-0.5 31,-0.4 -57,-0.1 2,-0.3 -0.568 29.5-170.7 -76.7 134.2 47.7 24.8 -8.0 414 113 B T >> - 0 0 46 -2,-0.3 3,-1.8 30,-0.1 4,-0.5 -0.827 39.4-106.0-120.9 162.0 49.2 27.8 -9.8 415 114 B L G >4 S+ 0 0 64 -2,-0.3 3,-1.0 1,-0.3 -1,-0.1 0.803 119.8 64.0 -57.3 -27.3 51.0 30.9 -8.4 416 115 B N G 34 S+ 0 0 155 1,-0.2 -1,-0.3 3,-0.1 -3,-0.0 0.789 97.6 56.3 -65.3 -28.8 47.8 32.8 -9.2 417 116 B D G <4 S+ 0 0 37 -3,-1.8 2,-0.4 2,-0.1 -1,-0.2 0.605 83.9 108.9 -79.2 -11.9 45.9 30.7 -6.7 418 117 B I << - 0 0 12 -3,-1.0 2,-1.4 -4,-0.5 3,-0.1 -0.536 62.0-147.8 -75.9 122.3 48.3 31.6 -3.9 419 118 B N > - 0 0 51 -2,-0.4 4,-1.8 -40,-0.2 3,-0.3 -0.720 18.5-175.5 -85.3 92.4 47.0 33.9 -1.1 420 119 B W H > S+ 0 0 74 -2,-1.4 4,-2.7 1,-0.2 5,-0.3 0.797 75.9 63.0 -61.3 -31.9 50.3 35.6 -0.4 421 120 B D H > S+ 0 0 124 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.936 106.6 44.9 -59.3 -45.7 48.8 37.7 2.5 422 121 B I H 4 S+ 0 0 1 -3,-0.3 4,-0.5 1,-0.2 -2,-0.2 0.943 115.6 45.6 -63.8 -48.5 48.1 34.4 4.4 423 122 B V H >< S+ 0 0 4 -4,-1.8 3,-0.8 1,-0.2 -2,-0.2 0.852 112.6 49.9 -65.3 -36.1 51.5 32.8 3.6 424 123 B E H 3< S+ 0 0 89 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.788 103.8 62.1 -72.5 -25.4 53.5 36.0 4.5 425 124 B E T 3< S+ 0 0 104 -4,-1.4 -1,-0.2 -5,-0.3 2,-0.2 0.615 87.1 99.8 -73.9 -14.4 51.6 36.2 7.7 426 125 B A < - 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0 0 25 28,-0.3 2,-0.4 1,-0.2 -29,-0.2 0.800 25.1-152.7 24.9 71.9 56.4 11.7 3.7 464 163 B L + 0 0 23 -31,-0.1 2,-0.4 1,-0.0 -1,-0.2 -0.591 26.9 175.9 -81.7 125.6 57.7 9.6 0.9 465 164 B R > - 0 0 91 -2,-0.4 3,-1.6 1,-0.1 4,-0.4 -0.814 7.6-171.9-127.8 87.7 55.3 7.8 -1.5 466 165 B L G > S+ 0 0 80 -2,-0.4 3,-2.6 1,-0.3 4,-0.3 0.843 81.2 65.0 -47.7 -43.9 57.3 6.0 -4.2 467 166 B D G > S+ 0 0 86 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.846 95.0 60.3 -50.9 -36.9 54.2 5.1 -6.3 468 167 B L G < S+ 0 0 9 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.657 109.3 43.9 -66.3 -15.1 53.6 8.8 -6.8 469 168 B W G X S+ 0 0 1 -3,-2.6 3,-2.7 -4,-0.4 -1,-0.2 0.231 73.5 142.3-116.1 14.4 57.0 9.1 -8.6 470 169 B R T < S+ 0 0 168 -3,-1.3 -3,-0.0 1,-0.3 -4,-0.0 -0.337 78.8 18.3 -57.9 134.3 57.1 6.0 -10.8 471 170 B G T 3 S+ 0 0 74 1,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.282 123.8 61.5 87.5 -11.6 58.8 7.0 -14.0 472 171 B Q <> + 0 0 45 -3,-2.7 4,-2.5 2,-0.1 -2,-0.2 0.014 53.2 131.1-136.0 31.4 60.3 10.1 -12.4 473 172 B E H > S+ 0 0 89 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.883 76.5 57.0 -50.2 -41.7 62.5 8.7 -9.7 474 173 B E H > S+ 0 0 154 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.973 108.9 42.4 -53.0 -62.8 65.3 10.9 -11.0 475 174 B E H > S+ 0 0 69 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.827 109.6 62.2 -55.3 -34.3 63.3 14.1 -10.6 476 175 B X H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.954 102.1 47.1 -58.9 -53.1 62.1 12.9 -7.3 477 176 B I H X S+ 0 0 25 -4,-2.1 4,-1.8 -3,-0.3 -1,-0.2 0.856 112.6 53.8 -57.9 -34.6 65.5 12.8 -5.7 478 177 B K H X S+ 0 0 120 -4,-1.5 4,-2.1 -5,-0.2 -2,-0.2 0.940 111.1 41.2 -67.5 -48.6 66.1 16.2 -7.1 479 178 B V H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.875 113.7 53.1 -70.6 -35.2 63.0 17.9 -5.6 480 179 B L H X S+ 0 0 0 -4,-2.5 4,-3.1 -5,-0.2 -1,-0.2 0.924 110.0 48.5 -64.5 -42.0 63.3 16.2 -2.2 481 180 B E H X S+ 0 0 65 -4,-1.8 4,-2.3 -5,-0.3 -2,-0.2 0.929 112.7 47.5 -63.0 -46.7 66.9 17.4 -1.9 482 181 B E H X S+ 0 0 79 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.955 113.7 48.7 -58.1 -50.9 66.0 20.9 -2.8 483 182 B S H X S+ 0 0 0 -4,-2.9 4,-0.9 1,-0.2 3,-0.4 0.932 110.3 50.2 -55.0 -50.9 63.1 20.8 -0.4 484 183 B I H >< S+ 0 0 5 -4,-3.1 3,-0.8 1,-0.2 26,-0.3 0.903 110.0 50.8 -56.6 -43.0 65.2 19.5 2.4 485 184 B K H 3< S+ 0 0 146 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.810 108.4 51.8 -67.0 -29.3 67.8 22.2 1.9 486 185 B L H 3< S+ 0 0 32 -4,-1.7 2,-0.4 -3,-0.4 -1,-0.2 0.604 96.3 95.4 -80.7 -11.5 65.2 24.9 2.0 487 186 B A << - 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