==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-JUL-09 3IH0 . COMPND 2 MOLECULE: UNCHARACTERIZED SUGAR KINASE PH1459; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR G.KUMAR,S.ESWARAMOORTHY,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SG . 608 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25402.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 461 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 8.4 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 50 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 174 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 1 2 2 1 0 0 2 4 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 3 4 7 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 1 4 1 3 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 0 0 0 1 2 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 S 0 0 79 0, 0.0 47,-0.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 150.4 23.3 -4.7 35.9 2 3 A L E -a 48 0A 12 121,-0.3 123,-2.5 45,-0.1 124,-1.0 -0.989 360.0-157.3-134.1 138.7 19.9 -5.7 34.7 3 4 A I E -ab 49 126A 0 45,-2.3 47,-2.3 -2,-0.4 2,-0.4 -0.972 14.5-161.5-115.8 126.8 17.1 -3.6 33.2 4 5 A A E -ab 50 127A 0 122,-2.4 124,-3.0 -2,-0.5 2,-0.4 -0.921 3.5-161.9-113.9 134.4 13.5 -5.1 33.5 5 6 A S E -ab 51 128A 0 45,-3.0 47,-3.2 -2,-0.4 2,-0.4 -0.904 5.8-165.2-112.2 140.1 10.6 -4.0 31.4 6 7 A I E +a 52 0A 1 122,-2.7 124,-0.5 -2,-0.4 2,-0.3 -0.987 41.1 51.8-128.9 129.5 7.0 -4.8 32.4 7 8 A G S S+ 0 0 0 45,-2.2 47,-0.3 -2,-0.4 -2,-0.1 -0.997 77.5 13.7 154.4-156.8 4.0 -4.6 30.2 8 9 A E + 0 0 5 -2,-0.3 28,-0.9 45,-0.1 2,-0.4 -0.257 42.2 176.2 -62.2 135.9 2.4 -5.6 26.9 9 10 A L + 0 0 0 45,-0.3 78,-0.6 26,-0.1 2,-0.3 -0.981 26.2 141.4-138.0 121.8 3.9 -8.3 24.7 10 11 A L E -Ij 32 87B 8 22,-1.9 22,-2.5 -2,-0.4 2,-0.5 -0.912 52.6 -86.8-154.4 179.6 1.8 -9.1 21.6 11 12 A I E -Ij 31 88B 0 76,-2.2 78,-2.2 -2,-0.3 2,-0.6 -0.869 33.2-151.7 -98.8 123.2 1.5 -10.0 18.0 12 13 A D E -Ij 30 89B 27 18,-3.6 18,-2.0 -2,-0.5 2,-0.8 -0.849 4.1-161.5 -94.2 122.8 1.5 -7.0 15.6 13 14 A L E -Ij 29 90B 0 76,-3.2 78,-3.3 -2,-0.6 2,-0.5 -0.887 16.7-157.2-107.4 99.4 -0.5 -7.8 12.5 14 15 A I E -Ij 28 91B 26 14,-3.0 14,-2.4 -2,-0.8 78,-0.2 -0.698 16.9-117.5 -87.2 119.8 0.7 -5.2 10.1 15 16 A S E -I 27 0B 0 76,-3.4 78,-0.2 -2,-0.5 12,-0.2 -0.265 17.3-157.9 -53.9 129.0 -1.4 -4.2 7.1 16 17 A V S S+ 0 0 55 10,-2.9 2,-0.2 2,-0.1 -1,-0.1 0.861 76.3 38.9 -77.1 -39.6 0.4 -5.0 3.8 17 18 A E S S- 0 0 35 9,-0.5 77,-0.2 1,-0.1 7,-0.1 -0.696 91.2-102.0-110.3 164.7 -1.6 -2.5 1.8 18 19 A E + 0 0 138 -2,-0.2 2,-0.2 75,-0.1 -1,-0.1 -0.293 69.2 77.8 -78.5 168.2 -2.8 1.0 2.5 19 20 A G S S- 0 0 34 75,-0.1 75,-0.1 5,-0.1 5,-0.1 -0.460 84.5 -37.5 119.7 166.6 -6.4 1.7 3.4 20 21 A D >> - 0 0 107 -2,-0.2 4,-1.6 1,-0.1 3,-1.4 -0.284 56.2-116.8 -59.8 145.9 -8.8 1.5 6.3 21 22 A L T 34 S+ 0 0 6 1,-0.3 -1,-0.1 2,-0.2 70,-0.0 0.839 115.2 66.4 -54.4 -32.8 -8.4 -1.6 8.5 22 23 A K T 34 S+ 0 0 41 1,-0.2 -1,-0.3 346,-0.0 -2,-0.0 0.879 111.5 32.4 -56.0 -38.4 -11.9 -2.5 7.4 23 24 A D T <4 S+ 0 0 81 -3,-1.4 -1,-0.2 345,-0.0 -2,-0.2 0.637 86.0 116.4 -96.1 -17.7 -10.6 -3.0 3.8 24 25 A V < - 0 0 0 -4,-1.6 3,-0.1 1,-0.1 -5,-0.1 -0.318 39.9-174.0 -55.6 132.8 -7.1 -4.2 4.4 25 26 A R + 0 0 148 1,-0.2 309,-2.8 308,-0.1 2,-0.4 0.764 60.3 48.7-100.6 -33.5 -6.8 -7.8 3.0 26 27 A L E - K 0 333B 38 307,-0.2 -10,-2.9 292,-0.0 -9,-0.5 -0.930 58.2-175.7-119.0 137.5 -3.3 -8.9 3.9 27 28 A F E -IK 15 332B 0 305,-2.2 305,-2.5 -2,-0.4 2,-0.5 -0.988 14.3-146.9-131.9 138.1 -1.5 -8.7 7.3 28 29 A E E -IK 14 331B 85 -14,-2.4 -14,-3.0 -2,-0.4 2,-0.3 -0.893 20.9-130.5-105.2 132.8 2.1 -9.6 8.3 29 30 A K E +I 13 0B 6 301,-2.9 -16,-0.2 -2,-0.5 -18,-0.0 -0.640 35.7 157.3 -87.2 133.2 2.8 -11.0 11.7 30 31 A H E -I 12 0B 73 -18,-2.0 -18,-3.6 -2,-0.3 2,-0.1 -0.986 45.4 -96.4-149.4 154.5 5.6 -9.5 13.9 31 32 A P E +I 11 0B 12 0, 0.0 253,-0.3 0, 0.0 2,-0.3 -0.442 54.8 163.5 -70.7 146.9 6.4 -9.3 17.6 32 33 A G E +I 10 0B 0 -22,-2.5 -22,-1.9 -2,-0.1 4,-0.1 -0.879 20.3 114.0-151.8-173.7 5.3 -6.1 19.2 33 34 A G >> - 0 0 8 -2,-0.3 4,-2.8 -24,-0.2 3,-0.6 0.425 58.8-113.3 106.2 115.3 4.6 -4.2 22.4 34 35 A A H 3> S+ 0 0 15 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.860 114.3 48.9 -42.5 -55.8 6.5 -1.2 23.6 35 36 A P H 3> S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.895 114.7 46.4 -56.2 -40.9 8.0 -2.8 26.8 36 37 A A H <> S+ 0 0 0 -28,-0.9 4,-2.5 -3,-0.6 5,-0.2 0.916 110.0 53.4 -68.5 -40.2 9.1 -5.8 24.7 37 38 A N H X S+ 0 0 11 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.929 111.8 45.4 -60.2 -43.5 10.5 -3.5 22.0 38 39 A V H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.905 109.2 56.2 -65.0 -43.3 12.6 -1.7 24.7 39 40 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.924 109.7 45.4 -55.6 -48.1 13.7 -5.0 26.3 40 41 A V H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.902 110.9 53.8 -62.7 -42.2 15.1 -6.2 23.0 41 42 A G H X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.923 107.7 50.3 -58.3 -44.6 16.8 -2.9 22.4 42 43 A V H <>S+ 0 0 0 -4,-2.7 5,-2.1 1,-0.2 -1,-0.2 0.912 110.3 49.5 -60.4 -45.5 18.5 -3.1 25.8 43 44 A S H ><5S+ 0 0 17 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.878 107.8 53.8 -62.0 -40.4 19.8 -6.6 25.1 44 45 A R H 3<5S+ 0 0 23 -4,-2.2 246,-2.5 1,-0.3 -1,-0.2 0.852 102.7 57.7 -63.1 -33.8 21.1 -5.6 21.7 45 46 A L T 3<5S- 0 0 0 -4,-1.6 -1,-0.3 244,-0.2 -2,-0.2 0.350 127.0-102.4 -78.1 5.4 23.1 -2.8 23.4 46 47 A G T < 5S+ 0 0 50 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.518 80.7 125.9 88.7 7.2 24.8 -5.4 25.5 47 48 A V < - 0 0 11 -5,-2.1 -1,-0.3 1,-0.0 2,-0.2 -0.808 69.4-103.2-103.6 140.4 22.9 -5.0 28.8 48 49 A K E -a 2 0A 128 -47,-0.8 -45,-2.3 -2,-0.4 2,-0.4 -0.405 47.3-169.1 -58.8 124.5 21.1 -7.9 30.6 49 50 A S E -a 3 0A 4 23,-0.4 25,-3.0 -47,-0.2 2,-0.4 -0.973 13.8-170.2-128.1 132.3 17.4 -7.4 29.9 50 51 A S E -ac 4 74A 0 -47,-2.3 -45,-3.0 -2,-0.4 2,-0.5 -0.947 8.3-154.4-121.6 140.3 14.3 -9.0 31.4 51 52 A L E -a 5 0A 0 23,-2.0 2,-0.6 -2,-0.4 26,-0.3 -0.957 2.4-162.5-115.8 127.3 10.7 -8.8 30.2 52 53 A I E +a 6 0A 4 -47,-3.2 -45,-2.2 -2,-0.5 2,-0.3 -0.944 41.4 113.0-107.9 113.6 7.8 -9.3 32.6 53 54 A S E -p 78 0C 3 24,-1.0 26,-2.4 -2,-0.6 2,-0.4 -0.880 55.2-111.8-160.2-169.3 4.6 -10.0 30.7 54 55 A K E +p 79 0C 14 -47,-0.3 33,-0.3 -2,-0.3 -45,-0.3 -0.986 25.3 179.0-146.1 129.5 1.9 -12.7 30.0 55 56 A V E -p 80 0C 0 24,-2.7 26,-3.7 -2,-0.4 29,-0.1 -0.745 33.6 -95.9-121.0 171.6 1.1 -14.5 26.9 56 57 A G E -p 81 0C 0 24,-0.3 2,-1.9 -2,-0.3 29,-0.2 -0.421 34.9-107.7 -85.7 162.8 -1.4 -17.2 26.0 57 58 A N S S+ 0 0 78 24,-1.5 -1,-0.1 27,-0.4 23,-0.1 -0.607 88.5 98.5 -87.4 73.3 -0.8 -20.9 26.0 58 59 A D S >> S- 0 0 6 -2,-1.9 4,-2.0 1,-0.0 3,-0.9 -0.950 93.0 -83.2-152.4 169.9 -0.9 -20.9 22.2 59 60 A P H 3> S+ 0 0 41 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.837 124.6 51.0 -48.1 -39.7 1.2 -20.8 19.1 60 61 A F H 3> S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.837 107.2 53.0 -71.7 -30.2 1.5 -17.0 19.2 61 62 A G H <> S+ 0 0 0 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.910 111.3 47.1 -67.8 -40.3 2.7 -17.0 22.8 62 63 A E H X S+ 0 0 74 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.867 109.2 55.0 -66.4 -38.1 5.3 -19.6 21.8 63 64 A Y H X S+ 0 0 21 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.927 109.3 46.3 -61.9 -46.8 6.3 -17.4 18.8 64 65 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.937 112.6 48.7 -64.4 -47.4 6.9 -14.4 21.0 65 66 A I H X S+ 0 0 32 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.937 112.9 49.0 -59.5 -44.3 8.9 -16.2 23.6 66 67 A E H X S+ 0 0 76 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.956 112.1 48.1 -59.8 -49.0 11.1 -17.8 20.9 67 68 A E H X S+ 0 0 40 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.887 111.4 49.9 -59.9 -38.5 11.7 -14.5 19.2 68 69 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 3,-0.7 0.911 109.0 52.7 -67.0 -38.6 12.6 -12.8 22.5 69 70 A S H ><5S+ 0 0 57 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.821 101.8 58.4 -65.8 -32.2 15.0 -15.7 23.2 70 71 A K H 3<5S+ 0 0 137 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.762 106.3 50.5 -67.3 -24.7 16.7 -15.2 19.9 71 72 A E T <<5S- 0 0 24 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.272 119.9-113.7 -94.3 9.2 17.4 -11.7 21.0 72 73 A N T < 5 + 0 0 122 -3,-1.5 -23,-0.4 1,-0.2 2,-0.4 0.723 62.4 154.6 65.9 25.4 18.8 -12.9 24.3 73 74 A V < - 0 0 5 -5,-2.3 2,-0.5 -6,-0.1 -1,-0.2 -0.690 51.0-114.6 -85.3 133.2 16.0 -11.4 26.4 74 75 A D B +c 50 0A 36 -25,-3.0 -23,-2.0 -2,-0.4 3,-0.3 -0.540 36.2 177.5 -69.2 116.6 15.4 -13.1 29.7 75 76 A T > + 0 0 29 -2,-0.5 3,-2.5 1,-0.2 -1,-0.2 0.307 48.3 106.5-104.1 8.8 11.9 -14.6 29.4 76 77 A R T 3 S+ 0 0 165 1,-0.3 -1,-0.2 -24,-0.0 -24,-0.1 0.831 80.6 56.7 -55.5 -30.5 11.7 -16.4 32.8 77 78 A G T 3 S+ 0 0 2 -26,-0.3 -24,-1.0 -3,-0.3 2,-0.7 0.321 81.7 101.3 -85.1 9.5 9.3 -13.6 33.8 78 79 A I E < -p 53 0C 15 -3,-2.5 2,-0.3 -26,-0.2 -24,-0.2 -0.856 60.7-157.8 -98.5 111.9 6.9 -14.3 30.9 79 80 A V E -p 54 0C 40 -26,-2.4 -24,-2.7 -2,-0.7 2,-0.6 -0.628 11.6-131.0 -91.3 145.9 3.9 -16.2 32.2 80 81 A K E -p 55 0C 90 -2,-0.3 2,-0.5 -26,-0.2 -24,-0.3 -0.845 18.7-143.4 -97.0 125.0 1.5 -18.3 30.1 81 82 A D E -p 56 0C 9 -26,-3.7 -24,-1.5 -2,-0.6 26,-0.1 -0.752 9.7-165.0 -89.1 128.9 -2.2 -17.7 30.7 82 83 A E S S+ 0 0 134 -2,-0.5 -1,-0.1 -26,-0.2 -26,-0.1 0.643 89.6 42.3 -84.1 -15.7 -4.4 -20.8 30.5 83 84 A K S S+ 0 0 168 1,-0.1 2,-0.3 24,-0.0 -1,-0.2 0.538 111.5 47.2-109.1 -10.4 -7.6 -18.6 30.2 84 85 A K S S- 0 0 42 -29,-0.1 -27,-0.4 26,-0.0 -3,-0.2 -0.966 75.6-122.2-132.7 149.6 -6.7 -15.8 27.8 85 86 A H - 0 0 41 20,-0.4 22,-2.8 -2,-0.3 23,-0.2 -0.505 43.3 -75.2 -91.4 163.2 -5.0 -15.8 24.4 86 87 A T - 0 0 0 20,-0.2 -1,-0.1 -2,-0.2 -31,-0.1 -0.189 59.7-100.6 -52.5 135.7 -1.9 -14.0 23.3 87 88 A G E -j 10 0B 0 -78,-0.6 -76,-2.2 -33,-0.3 2,-0.3 -0.246 44.5-174.0 -60.8 150.3 -2.4 -10.3 22.7 88 89 A I E -j 11 0B 0 15,-0.4 15,-2.3 -78,-0.2 2,-0.4 -0.995 13.5-171.9-147.1 148.6 -2.9 -9.1 19.2 89 90 A V E -jL 12 102B 9 -78,-2.2 -76,-3.2 -2,-0.3 2,-0.6 -0.987 18.0-142.1-144.9 129.9 -3.3 -5.8 17.4 90 91 A F E -jL 13 101B 0 11,-2.5 11,-2.6 -2,-0.4 2,-0.4 -0.846 31.1-160.4 -93.1 125.8 -4.2 -5.2 13.8 91 92 A V E -jL 14 100B 17 -78,-3.3 -76,-3.4 -2,-0.6 2,-0.5 -0.909 28.3-172.4-121.3 139.1 -2.1 -2.2 12.5 92 93 A Q E + L 0 99B 6 7,-2.8 7,-2.0 -2,-0.4 -71,-0.1 -0.948 14.5 166.5-122.2 104.9 -2.3 0.3 9.7 93 94 A L + 0 0 74 -2,-0.5 -1,-0.1 -78,-0.2 -75,-0.1 0.714 52.3 87.3 -89.1 -24.5 1.0 2.3 9.7 94 95 A K + 0 0 89 -77,-0.2 3,-0.2 -79,-0.1 5,-0.1 -0.229 67.1 38.2 -77.3 162.8 0.4 3.8 6.3 95 96 A G S S- 0 0 66 1,-0.2 -3,-0.0 3,-0.1 -77,-0.0 -0.177 97.0 -67.1 92.5 174.4 -1.5 7.0 5.3 96 97 A A S S+ 0 0 114 1,-0.3 -1,-0.2 -2,-0.0 -2,-0.0 0.787 129.6 39.1 -73.7 -28.3 -2.0 10.4 6.7 97 98 A S S S- 0 0 101 -3,-0.2 -1,-0.3 2,-0.0 -3,-0.1 -0.772 80.1-160.1-127.8 89.2 -3.9 8.9 9.6 98 99 A P - 0 0 85 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.268 18.5-178.9 -62.7 152.2 -2.4 5.6 10.9 99 100 A S E -L 92 0B 46 -7,-2.0 -7,-2.8 -5,-0.1 2,-0.3 -0.896 14.5-160.1-147.5 174.0 -4.8 3.4 13.0 100 101 A F E -L 91 0B 58 -2,-0.3 2,-0.5 -9,-0.2 -9,-0.2 -0.993 18.0-144.6-157.7 160.9 -5.1 0.2 14.9 101 102 A L E -L 90 0B 10 -11,-2.6 -11,-2.5 -2,-0.3 2,-0.5 -0.902 25.3-168.8-131.2 98.4 -7.5 -2.4 16.3 102 103 A L E -L 89 0B 18 -2,-0.5 2,-0.7 -13,-0.2 -13,-0.2 -0.801 17.7-138.5 -93.5 126.2 -6.2 -3.7 19.7 103 104 A Y - 0 0 8 -15,-2.3 -15,-0.4 -2,-0.5 3,-0.1 -0.755 19.5-171.1 -83.0 118.8 -7.9 -6.7 21.1 104 105 A D + 0 0 29 -2,-0.7 2,-1.7 1,-0.2 -1,-0.2 0.726 66.2 75.9 -89.3 -20.1 -8.2 -5.9 24.8 105 106 A D S S+ 0 0 40 305,-0.2 -20,-0.4 3,-0.1 2,-0.3 -0.530 76.7 116.7 -93.1 75.2 -9.4 -9.2 26.3 106 107 A V S > S- 0 0 2 -2,-1.7 3,-1.5 -22,-0.1 4,-0.3 -0.841 78.3 -89.7-134.4 169.9 -6.0 -10.9 26.0 107 108 A A G > S+ 0 0 0 -22,-2.8 3,-2.0 -2,-0.3 -52,-0.2 0.833 114.2 57.9 -51.7 -46.4 -3.3 -12.4 28.3 108 109 A Y G 3 S+ 0 0 0 1,-0.3 3,-0.4 -99,-0.3 -1,-0.3 0.671 104.0 53.9 -66.2 -13.7 -1.1 -9.4 28.9 109 110 A F G < S+ 0 0 7 -3,-1.5 30,-1.9 1,-0.2 -1,-0.3 0.478 99.8 66.2 -93.9 -2.3 -4.0 -7.4 30.4 110 111 A N < + 0 0 41 -3,-2.0 2,-0.4 -4,-0.3 -1,-0.2 -0.137 67.2 140.2-111.1 36.8 -4.7 -10.2 32.8 111 112 A X - 0 0 2 -3,-0.4 31,-0.3 -57,-0.1 2,-0.2 -0.657 29.7-168.0 -83.6 133.6 -1.6 -10.1 35.0 112 113 A T >> - 0 0 57 -2,-0.4 3,-1.9 30,-0.1 4,-0.6 -0.680 38.8 -97.7-112.9 170.3 -2.1 -10.7 38.7 113 114 A L G >4 S+ 0 0 58 1,-0.3 3,-1.1 -2,-0.2 -1,-0.0 0.853 122.6 56.3 -58.1 -35.7 0.4 -10.1 41.6 114 115 A N G 34 S+ 0 0 156 1,-0.2 -1,-0.3 3,-0.1 4,-0.1 0.528 96.7 64.8 -74.8 -4.3 1.4 -13.8 41.6 115 116 A D G <4 S+ 0 0 33 -3,-1.9 2,-0.3 2,-0.1 -1,-0.2 0.672 83.8 96.5 -86.5 -19.5 2.3 -13.6 38.0 116 117 A I S << S- 0 0 7 -3,-1.1 2,-1.3 -4,-0.6 3,-0.1 -0.532 73.2-139.3 -76.0 132.0 5.1 -11.2 38.8 117 118 A N > - 0 0 49 -2,-0.3 4,-2.0 -40,-0.2 3,-0.2 -0.748 20.1-173.0 -90.4 93.6 8.6 -12.6 39.3 118 119 A W H > S+ 0 0 62 -2,-1.3 4,-2.5 1,-0.2 5,-0.3 0.792 78.5 61.6 -60.0 -29.5 9.7 -10.6 42.2 119 120 A D H > S+ 0 0 124 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.968 108.1 43.3 -61.9 -50.0 13.2 -11.9 42.1 120 121 A I H > S+ 0 0 2 -3,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.905 114.4 50.5 -61.2 -43.7 13.7 -10.4 38.7 121 122 A V H >< S+ 0 0 0 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.925 113.6 42.9 -62.4 -47.6 12.0 -7.1 39.5 122 123 A E H 3< S+ 0 0 100 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.878 109.8 57.6 -68.7 -36.3 14.0 -6.4 42.7 123 124 A E H 3< S+ 0 0 109 -4,-2.2 -121,-0.3 -5,-0.3 -1,-0.2 0.711 88.9 97.8 -66.6 -20.0 17.3 -7.5 41.1 124 125 A A << - 0 0 2 -4,-0.9 -121,-0.2 -3,-0.5 3,-0.1 -0.452 61.2-156.9 -74.1 142.1 16.8 -4.9 38.4 125 126 A K S S+ 0 0 116 -123,-2.5 30,-3.1 1,-0.3 2,-0.4 0.752 87.5 26.2 -84.8 -28.2 18.5 -1.5 38.7 126 127 A I E -bd 3 155A 0 -124,-1.0 -122,-2.4 28,-0.2 2,-0.5 -1.000 69.0-162.0-137.5 134.9 16.0 0.1 36.4 127 128 A V E -bd 4 156A 1 28,-2.9 30,-2.9 -2,-0.4 2,-0.4 -0.984 12.8-161.0-121.0 126.3 12.4 -1.0 35.8 128 129 A N E +bd 5 157A 3 -124,-3.0 -122,-2.7 -2,-0.5 2,-0.3 -0.883 17.8 156.3-112.3 138.2 10.6 0.3 32.8 129 130 A F E - d 0 158A 1 28,-2.3 30,-1.8 -2,-0.4 2,-0.2 -0.949 19.2-152.7-150.2 167.6 6.9 0.5 32.0 130 131 A G E - d 0 159A 4 -124,-0.5 4,-0.3 -2,-0.3 3,-0.2 -0.813 31.7-101.8-136.8 177.3 4.4 2.4 29.9 131 132 A S S > S+ 0 0 0 28,-1.2 3,-1.4 -2,-0.2 4,-0.3 0.752 101.3 75.5 -78.4 -26.6 0.8 3.5 29.9 132 133 A V G > S+ 0 0 9 1,-0.3 3,-2.2 2,-0.2 4,-0.2 0.917 94.0 53.0 -51.7 -47.9 -0.8 0.9 27.5 133 134 A I G > S+ 0 0 0 1,-0.3 3,-0.7 -3,-0.2 -1,-0.3 0.728 100.5 63.6 -61.6 -20.1 -0.6 -1.9 30.0 134 135 A L G < S+ 0 0 0 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.507 78.1 91.7 -81.8 -2.8 -2.5 0.4 32.5 135 136 A A G < S+ 0 0 0 -3,-2.2 2,-0.3 -4,-0.3 -1,-0.2 0.790 91.9 24.4 -61.6 -32.7 -5.5 0.4 30.1 136 137 A R S <> S- 0 0 61 -3,-0.7 4,-1.8 -4,-0.2 -1,-0.1 -0.954 85.7 -84.4-137.8 155.1 -7.2 -2.6 31.7 137 138 A N T 4 S+ 0 0 69 -2,-0.3 -28,-0.1 2,-0.2 -3,-0.0 -0.635 96.0 28.9 -92.5 159.7 -7.4 -4.4 35.0 138 139 A P T > S+ 0 0 38 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 -0.991 122.0 53.4 -78.5 -14.2 -6.1 -6.5 36.6 139 140 A S H > S+ 0 0 0 -30,-1.9 4,-3.2 1,-0.2 5,-0.3 0.852 105.9 57.4 -48.2 -38.4 -2.8 -5.6 34.9 140 141 A R H X S+ 0 0 29 -4,-1.8 4,-2.4 -31,-0.3 -1,-0.2 0.965 110.7 38.6 -59.7 -55.6 -3.3 -2.0 35.9 141 142 A E H > S+ 0 0 107 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.866 117.0 54.4 -64.4 -32.2 -3.5 -2.5 39.6 142 143 A T H X S+ 0 0 7 -4,-2.4 4,-2.1 -31,-0.3 -2,-0.2 0.959 109.6 44.4 -66.2 -51.6 -0.9 -5.1 39.4 143 144 A V H X S+ 0 0 0 -4,-3.2 4,-2.5 -5,-0.2 5,-0.2 0.914 112.8 52.2 -61.3 -42.3 1.7 -3.0 37.6 144 145 A X H X S+ 0 0 13 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.913 109.3 50.0 -61.3 -41.4 1.0 -0.0 40.0 145 146 A K H X S+ 0 0 100 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.895 110.9 49.4 -63.1 -40.8 1.5 -2.2 43.1 146 147 A V H X S+ 0 0 1 -4,-2.1 4,-1.4 2,-0.2 5,-0.2 0.934 111.3 48.2 -63.8 -48.2 4.8 -3.5 41.7 147 148 A I H >X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 3,-0.5 0.930 113.1 48.3 -58.9 -47.3 6.1 -0.1 40.9 148 149 A K H 3< S+ 0 0 108 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.854 109.3 53.9 -61.5 -36.6 5.2 1.2 44.4 149 150 A K H 3< S+ 0 0 121 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.756 117.4 34.6 -71.4 -26.2 6.8 -1.8 46.0 150 151 A I H XX S+ 0 0 2 -4,-1.4 3,-3.3 -3,-0.5 4,-1.2 0.516 84.0 126.1-104.5 -9.1 10.2 -1.2 44.3 151 152 A K B 3< S+q 154 0D 68 -4,-1.5 4,-0.1 1,-0.3 34,-0.1 -0.307 82.9 18.5 -51.9 116.4 10.0 2.5 44.3 152 153 A G T 34 S+ 0 0 71 2,-0.9 -1,-0.3 -2,-0.1 3,-0.1 0.090 117.3 68.2 106.4 -22.9 13.2 3.6 46.0 153 154 A S T <4 S+ 0 0 99 -3,-3.3 2,-0.3 1,-0.3 -2,-0.2 0.528 111.3 20.7-102.6 -11.3 15.0 0.2 45.5 154 155 A S B < S-q 151 0D 8 -4,-1.2 -2,-0.9 -27,-0.0 -1,-0.3 -0.988 87.4-100.4-153.7 150.1 15.2 0.6 41.7 155 156 A L E -d 126 0A 46 -30,-3.1 -28,-2.9 -2,-0.3 2,-0.5 -0.509 38.6-144.1 -71.8 143.1 15.1 3.5 39.2 156 157 A I E -d 127 0A 0 -30,-0.2 31,-2.6 -2,-0.2 30,-1.5 -0.951 14.0-168.4-116.9 122.0 11.6 3.7 37.6 157 158 A A E -de 128 187A 0 -30,-2.9 -28,-2.3 -2,-0.5 2,-0.4 -0.899 2.8-171.4-110.7 137.9 11.2 4.7 33.9 158 159 A F E -de 129 188A 0 29,-2.8 31,-2.5 -2,-0.4 2,-0.8 -0.960 13.6-162.2-135.9 120.0 7.9 5.5 32.3 159 160 A D E -de 130 189A 11 -30,-1.8 -28,-1.2 -2,-0.4 31,-0.2 -0.860 15.5-149.7 -98.8 105.6 7.1 6.1 28.6 160 161 A V + 0 0 0 29,-2.2 3,-0.2 -2,-0.8 -29,-0.2 0.800 25.4 174.7 -41.8 -40.4 3.8 8.0 28.6 161 162 A N - 0 0 21 28,-0.3 2,-0.3 1,-0.2 -29,-0.2 0.795 23.4-152.8 27.5 62.6 3.0 6.3 25.2 162 163 A L + 0 0 23 -31,-0.1 2,-0.5 1,-0.1 -1,-0.2 -0.457 25.0 175.5 -71.6 122.6 -0.5 7.8 25.2 163 164 A R > - 0 0 89 -2,-0.3 3,-1.5 -3,-0.2 4,-0.2 -0.853 8.8-172.6-128.1 94.0 -3.2 6.0 23.3 164 165 A L G >> S+ 0 0 87 -2,-0.5 3,-2.2 1,-0.3 4,-0.5 0.809 80.6 67.3 -56.2 -36.4 -6.6 7.6 23.7 165 166 A D G >4 S+ 0 0 82 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.803 95.7 59.6 -55.0 -29.7 -8.6 4.9 22.0 166 167 A L G <4 S+ 0 0 10 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.528 107.2 44.4 -79.3 -5.3 -7.6 2.6 24.9 167 168 A W G X4 S+ 0 0 2 -3,-2.2 3,-3.1 -4,-0.2 -1,-0.2 0.371 70.6 142.8-120.9 5.6 -9.3 4.8 27.5 168 169 A R T << S+ 0 0 158 -3,-0.6 -3,-0.0 -4,-0.5 -4,-0.0 -0.162 78.4 19.7 -50.0 136.7 -12.7 5.8 26.0 169 170 A G T 3 S+ 0 0 75 1,-0.0 -1,-0.3 0, 0.0 3,-0.1 0.191 125.3 59.8 87.8 -18.1 -15.3 5.9 28.7 170 171 A Q <> + 0 0 44 -3,-3.1 4,-2.2 1,-0.1 -2,-0.2 -0.107 57.4 132.3-133.8 38.7 -12.6 6.2 31.3 171 172 A E H > S+ 0 0 93 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.819 77.5 49.3 -60.2 -34.0 -10.8 9.4 30.3 172 173 A E H > S+ 0 0 165 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.910 109.7 48.6 -73.7 -43.7 -10.9 10.7 33.9 173 174 A E H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.878 107.4 60.3 -63.2 -34.2 -9.5 7.5 35.4 174 175 A X H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.945 102.7 48.9 -56.3 -52.5 -6.8 7.7 32.7 175 176 A I H X S+ 0 0 22 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.864 110.1 53.3 -57.6 -38.0 -5.6 11.1 33.9 176 177 A K H X S+ 0 0 136 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.960 111.4 43.2 -63.9 -50.5 -5.4 9.8 37.5 177 178 A V H X S+ 0 0 6 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.866 114.2 50.0 -65.6 -36.5 -3.3 6.8 36.6 178 179 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.899 110.9 51.1 -68.6 -37.6 -1.0 8.7 34.4 179 180 A E H X S+ 0 0 67 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.955 113.3 43.4 -62.0 -51.7 -0.5 11.3 37.1 180 181 A E H X S+ 0 0 76 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.876 114.2 51.2 -62.8 -38.9 0.3 8.7 39.7 181 182 A S H >X S+ 0 0 0 -4,-2.4 3,-0.6 1,-0.2 4,-0.5 0.918 109.8 49.0 -65.6 -43.9 2.6 6.8 37.3 182 183 A I H >< S+ 0 0 5 -4,-2.6 3,-0.9 1,-0.2 26,-0.3 0.889 109.5 53.0 -62.5 -38.6 4.5 9.9 36.3 183 184 A K H 3< S+ 0 0 160 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.684 107.8 50.9 -72.1 -17.3 5.0 10.8 40.0 184 185 A L H << S+ 0 0 26 -4,-0.9 2,-0.5 -3,-0.6 -1,-0.3 0.520 95.3 100.1 -93.4 -7.2 6.4 7.4 40.7 185 186 A A << - 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