==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-APR-08 3CT6 . COMPND 2 MOLECULE: PTS-DEPENDENT DIHYDROXYACETONE KINASE, . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS; . AUTHOR A.ZURBRIGGEN . 258 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11850.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0.8 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 . 19 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 0 0 0 0 1 2 3 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 0 172 0, 0.0 2,-0.4 0, 0.0 57,-0.0 0.000 360.0 360.0 360.0 105.6 0.7 1.5 50.1 2 2 A T - 0 0 85 55,-0.1 58,-1.3 59,-0.0 57,-0.5 -0.806 360.0-152.6-110.5 160.0 3.2 3.7 51.6 3 3 A Y E +a 60 0A 63 -2,-0.4 27,-0.5 56,-0.2 2,-0.3 -0.887 13.4 175.7-119.5 148.6 3.2 7.5 51.4 4 4 A G E -a 61 0A 0 56,-2.1 58,-2.8 -2,-0.3 2,-0.4 -0.866 26.0-117.5-141.9 170.1 6.0 10.1 51.5 5 5 A I E -ab 62 31A 0 25,-2.5 27,-2.3 -2,-0.3 2,-0.4 -0.948 20.5-166.9-116.1 135.8 6.3 13.9 51.1 6 6 A V E -ab 63 32A 0 56,-2.5 58,-2.6 -2,-0.4 2,-0.5 -0.992 3.6-160.7-125.7 129.9 8.4 15.6 48.5 7 7 A I E -ab 64 33A 0 25,-2.2 27,-2.3 -2,-0.4 2,-0.5 -0.945 7.2-174.5-108.9 127.4 9.3 19.3 48.5 8 8 A V E +ab 65 34A 1 56,-2.3 58,-1.0 -2,-0.5 2,-0.3 -0.982 11.2 165.5-122.7 125.9 10.4 21.1 45.4 9 9 A S E - b 0 35A 0 25,-2.2 27,-1.1 -2,-0.5 34,-0.1 -0.938 46.2-128.0-131.2 160.5 11.6 24.7 45.5 10 10 A H S S+ 0 0 5 -2,-0.3 33,-2.1 25,-0.2 27,-0.2 0.694 99.8 62.1 -71.5 -18.9 13.4 27.1 43.2 11 11 A S > - 0 0 2 31,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.916 69.7-151.5-113.3 126.2 15.7 27.8 46.2 12 12 A P H > S+ 0 0 61 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.852 101.5 53.7 -64.7 -33.2 18.0 25.2 47.8 13 13 A E H > S+ 0 0 54 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.906 107.0 50.0 -70.7 -39.6 17.7 27.1 51.1 14 14 A I H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.942 112.6 48.2 -60.5 -47.5 13.9 27.1 51.1 15 15 A A H X S+ 0 0 3 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.940 115.7 42.8 -60.7 -46.1 13.9 23.4 50.4 16 16 A S H X S+ 0 0 47 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.916 115.3 48.6 -66.0 -42.3 16.4 22.6 53.2 17 17 A G H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.899 111.0 50.0 -69.5 -35.6 14.8 25.0 55.7 18 18 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.3 -1,-0.2 0.896 109.5 51.8 -67.1 -42.1 11.3 23.7 55.1 19 19 A K H X S+ 0 0 63 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.934 111.4 47.5 -57.8 -45.9 12.6 20.1 55.5 20 20 A K H X S+ 0 0 105 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.898 111.2 50.7 -63.5 -42.2 14.2 21.1 58.8 21 21 A L H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 4,-0.4 0.932 112.1 47.6 -59.9 -46.1 11.0 22.9 59.9 22 22 A I H >X S+ 0 0 0 -4,-2.7 3,-2.1 1,-0.3 4,-2.0 0.905 101.2 64.3 -64.0 -39.2 8.9 19.8 59.1 23 23 A R H 3< S+ 0 0 84 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.726 91.5 66.6 -63.4 -16.7 11.3 17.5 60.9 24 24 A E T << S+ 0 0 82 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.739 118.0 22.5 -71.0 -20.5 10.4 19.3 64.1 25 25 A V T <4 S+ 0 0 36 -3,-2.1 2,-0.2 -4,-0.4 -2,-0.2 0.546 131.5 41.5-114.8 -16.0 6.8 17.9 63.9 26 26 A A < + 0 0 0 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.1 -0.645 56.2 155.3-143.7 77.6 7.4 14.8 61.6 27 27 A K S S+ 0 0 166 -2,-0.2 -1,-0.1 1,-0.2 -4,-0.1 0.738 74.9 45.0 -77.1 -25.5 10.5 12.9 62.5 28 28 A N S S+ 0 0 129 2,-0.1 -1,-0.2 -5,-0.0 -5,-0.0 0.670 84.5 104.3-101.5 -19.6 9.5 9.5 61.1 29 29 A I S S- 0 0 15 1,-0.1 2,-0.8 -3,-0.1 -25,-0.1 -0.205 79.4-105.4 -68.2 157.1 7.9 10.2 57.7 30 30 A S + 0 0 22 -27,-0.5 -25,-2.5 26,-0.1 2,-0.4 -0.774 56.4 168.0 -78.5 110.4 9.6 9.6 54.4 31 31 A L E +b 5 0A 7 -2,-0.8 2,-0.3 -27,-0.2 -25,-0.2 -0.998 16.5 175.0-138.8 126.5 10.5 13.1 53.4 32 32 A T E -b 6 0A 6 -27,-2.3 -25,-2.2 -2,-0.4 2,-0.3 -0.940 5.5-174.6-131.5 157.8 12.8 14.5 50.6 33 33 A A E +b 7 0A 16 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.994 5.9 170.5-152.9 139.3 13.4 18.0 49.5 34 34 A I E +b 8 0A 40 -27,-2.3 -25,-2.2 -2,-0.3 2,-0.3 -0.995 1.4 173.3-151.4 147.9 15.3 19.7 46.7 35 35 A G E +b 9 0A 3 -2,-0.3 -25,-0.2 -27,-0.2 9,-0.1 -0.991 42.4 27.7-148.8 157.1 15.7 23.2 45.3 36 36 A G S S- 0 0 3 7,-1.4 9,-0.4 -27,-1.1 6,-0.2 0.057 80.9 -69.7 83.9 164.4 17.9 24.9 42.7 37 37 A L > - 0 0 39 4,-3.1 3,-2.0 -27,-0.2 -2,-0.1 -0.476 46.4-104.3 -85.4 164.3 19.7 23.8 39.6 38 38 A E T 3 S+ 0 0 107 1,-0.3 -1,-0.1 -2,-0.1 7,-0.0 0.868 121.9 54.0 -56.2 -36.3 22.7 21.5 39.5 39 39 A N T 3 S- 0 0 106 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.376 123.4-102.5 -84.3 4.5 24.9 24.5 38.8 40 40 A G S < S+ 0 0 59 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.314 76.1 134.8 94.5 -8.8 23.6 26.4 41.7 41 41 A E - 0 0 89 1,-0.1 -4,-3.1 -5,-0.1 -1,-0.3 -0.393 65.9 -99.2 -67.7 151.5 21.3 28.8 40.0 42 42 A I S S+ 0 0 26 -6,-0.2 2,-0.3 -3,-0.1 -31,-0.2 -0.513 83.9 74.2 -65.0 134.7 17.9 29.4 41.4 43 43 A G S S- 0 0 10 -33,-2.1 -7,-1.4 -2,-0.2 2,-0.3 -0.909 76.2 -89.3 150.9-172.5 15.3 27.2 39.5 44 44 A T - 0 0 21 -2,-0.3 2,-0.3 25,-0.1 -7,-0.2 -0.969 31.7-162.9-131.4 151.3 14.2 23.6 39.2 45 45 A S > - 0 0 17 -9,-0.4 4,-2.4 -2,-0.3 5,-0.3 -0.964 28.9-123.0-133.3 157.5 15.5 20.9 37.0 46 46 A F H > S+ 0 0 61 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.909 110.1 50.3 -57.9 -48.5 14.2 17.6 35.9 47 47 A D H > S+ 0 0 93 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.896 112.1 44.8 -65.0 -41.7 17.2 15.7 37.1 48 48 A R H > S+ 0 0 60 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.920 114.9 47.9 -70.2 -39.4 17.2 17.1 40.6 49 49 A V H X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.945 110.8 52.8 -62.7 -43.8 13.5 16.7 41.1 50 50 A M H X S+ 0 0 29 -4,-2.9 4,-3.0 -5,-0.3 5,-0.3 0.914 106.7 53.1 -56.4 -42.7 13.8 13.2 39.8 51 51 A N H X S+ 0 0 97 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.929 107.4 50.9 -58.7 -43.2 16.6 12.5 42.4 52 52 A A H X S+ 0 0 1 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.874 113.3 46.5 -63.6 -35.8 14.3 13.8 45.2 53 53 A I H < S+ 0 0 0 -4,-2.0 3,-0.5 2,-0.2 -2,-0.2 0.929 114.9 44.9 -66.2 -50.4 11.6 11.4 44.0 54 54 A E H < S+ 0 0 96 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.836 111.0 54.2 -69.2 -31.5 13.8 8.4 43.6 55 55 A E H < S+ 0 0 116 -4,-2.5 -1,-0.2 -5,-0.3 2,-0.2 0.721 84.5 98.3 -75.6 -21.9 15.5 9.0 46.9 56 56 A N S < S- 0 0 2 -4,-0.9 -52,-0.1 -3,-0.5 -26,-0.1 -0.491 72.7-140.8 -65.1 130.5 12.2 9.0 48.8 57 57 A E S S+ 0 0 165 -2,-0.2 -1,-0.1 -54,-0.1 2,-0.1 0.756 76.6 83.2 -63.8 -26.0 11.6 5.6 50.4 58 58 A A - 0 0 0 1,-0.1 -55,-0.1 -53,-0.1 3,-0.1 -0.415 65.3-150.4 -84.8 156.8 7.9 5.7 49.6 59 59 A D S S+ 0 0 94 -57,-0.5 25,-2.8 1,-0.2 2,-0.5 0.607 86.5 59.5-100.2 -11.9 6.2 4.8 46.3 60 60 A N E S-ac 3 84A 17 -58,-1.3 -56,-2.1 23,-0.2 2,-0.6 -0.980 76.2-165.9-119.4 110.4 3.2 7.2 46.7 61 61 A L E -ac 4 85A 1 23,-2.4 25,-2.8 -2,-0.5 2,-0.6 -0.903 20.3-153.1-116.9 117.0 4.5 10.8 46.9 62 62 A L E -ac 5 86A 0 -58,-2.8 -56,-2.5 -2,-0.6 2,-0.4 -0.726 30.7-158.3 -83.3 118.4 2.5 13.8 48.0 63 63 A T E -ac 6 87A 0 23,-3.0 25,-2.5 -2,-0.6 2,-0.3 -0.886 15.1-175.2-118.8 131.3 4.4 16.5 46.1 64 64 A F E -a 7 0A 0 -58,-2.6 -56,-2.3 -2,-0.4 2,-0.3 -0.907 3.3-179.8-127.7 148.0 4.5 20.2 46.9 65 65 A F E -a 8 0A 0 23,-0.4 -56,-0.2 25,-0.4 27,-0.2 -0.951 23.6-136.0-148.4 161.9 6.1 23.1 45.1 66 66 A D S S+ 0 0 0 -58,-1.0 2,-0.2 -2,-0.3 -1,-0.2 0.944 76.7 24.1 -87.5 -76.1 6.6 26.9 45.4 67 67 A L S > S- 0 0 2 1,-0.1 3,-2.6 57,-0.1 4,-0.3 -0.645 75.1-114.1-102.2 153.0 6.1 28.8 42.2 68 68 A G G > S+ 0 0 7 57,-0.4 3,-1.7 1,-0.3 4,-0.5 0.757 109.5 73.1 -52.0 -30.8 4.1 27.9 39.1 69 69 A S G 3 S+ 0 0 33 56,-1.3 4,-0.4 1,-0.3 -1,-0.3 0.625 92.3 58.2 -63.6 -11.8 7.3 27.7 37.0 70 70 A A G <> S+ 0 0 1 -3,-2.6 4,-1.6 1,-0.1 -1,-0.3 0.615 85.2 80.8 -85.5 -18.3 8.1 24.4 38.8 71 71 A R H <> S+ 0 0 71 -3,-1.7 4,-2.3 -4,-0.3 5,-0.2 0.901 84.0 56.3 -65.5 -40.5 4.9 22.7 37.7 72 72 A M H > S+ 0 0 128 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.950 108.0 49.1 -57.5 -47.4 6.0 21.6 34.2 73 73 A N H > S+ 0 0 27 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.893 109.0 52.7 -60.7 -38.1 9.0 19.8 35.6 74 74 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.907 108.7 49.5 -64.9 -39.2 7.0 18.0 38.1 75 75 A D H X S+ 0 0 67 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.900 111.8 49.5 -63.9 -39.3 4.6 16.8 35.5 76 76 A L H X S+ 0 0 64 -4,-2.4 4,-0.6 -5,-0.2 3,-0.3 0.914 109.8 49.7 -65.8 -45.0 7.5 15.6 33.4 77 77 A V H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.913 104.4 60.5 -60.1 -38.7 9.1 13.7 36.2 78 78 A S H >< S+ 0 0 41 -4,-2.3 3,-0.9 1,-0.3 -1,-0.2 0.848 102.6 52.1 -58.5 -35.3 5.7 12.1 36.9 79 79 A E H 3< S+ 0 0 141 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.711 108.0 53.3 -67.9 -22.7 5.7 10.6 33.5 80 80 A M T << S+ 0 0 116 -3,-1.6 2,-0.3 -4,-0.6 -1,-0.2 0.006 99.6 65.3-109.7 20.6 9.2 9.1 34.0 81 81 A T < - 0 0 23 -3,-0.9 4,-0.1 2,-0.2 -31,-0.0 -0.968 66.7-138.2-140.7 153.4 8.8 7.2 37.3 82 82 A D S S+ 0 0 161 -2,-0.3 -1,-0.1 2,-0.1 -4,-0.0 0.612 80.5 100.6 -81.1 -15.8 6.9 4.1 38.5 83 83 A K S S- 0 0 17 1,-0.1 2,-0.7 -25,-0.1 -2,-0.2 -0.318 79.5-121.6 -65.9 155.5 6.2 6.1 41.7 84 84 A E E -c 60 0A 122 -25,-2.8 -23,-2.4 2,-0.0 2,-0.4 -0.887 27.8-162.2-105.3 107.5 2.8 7.7 41.9 85 85 A L E -c 61 0A 18 -2,-0.7 2,-0.6 -25,-0.2 -23,-0.2 -0.765 10.6-165.2 -89.6 135.3 3.0 11.4 42.4 86 86 A T E -c 62 0A 48 -25,-2.8 -23,-3.0 -2,-0.4 2,-0.5 -0.975 16.0-159.0-113.6 107.6 0.1 13.4 43.8 87 87 A I E -c 63 0A 27 -2,-0.6 2,-0.5 -25,-0.2 -23,-0.2 -0.795 5.7-150.4 -94.3 125.0 1.0 17.1 43.0 88 88 A F - 0 0 22 -25,-2.5 2,-1.5 -2,-0.5 -23,-0.4 -0.841 14.8-146.6-104.0 131.1 -0.9 19.6 45.1 89 89 A N + 0 0 60 -2,-0.5 32,-2.6 -25,-0.1 -25,-0.1 -0.622 65.9 110.7 -88.0 71.0 -1.8 23.1 44.0 90 90 A V S S- 0 0 3 -2,-1.5 -25,-0.4 30,-0.2 30,-0.2 -0.885 81.1 -71.6-137.4 164.0 -1.3 24.4 47.5 91 91 A P >> - 0 0 0 0, 0.0 4,-1.9 0, 0.0 5,-0.6 -0.371 43.9-130.4 -59.4 141.6 1.2 26.7 49.2 92 92 A L H >5S+ 0 0 0 -27,-0.2 4,-2.0 3,-0.2 5,-0.3 0.935 97.6 34.2 -60.8 -56.0 4.5 25.0 49.6 93 93 A I H >5S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.978 124.9 38.4 -68.9 -54.0 5.2 25.7 53.3 94 94 A E H >5S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.893 120.9 47.2 -70.1 -36.2 1.8 25.6 54.8 95 95 A G H X5S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.949 115.4 42.1 -65.1 -51.2 0.7 22.7 52.5 96 96 A A H XS+ 0 0 48 -4,-2.1 5,-2.6 -5,-0.2 4,-0.4 0.935 112.3 48.8 -64.2 -44.9 -1.0 14.5 59.3 103 103 A L H ><5S+ 0 0 26 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.930 108.8 53.4 -60.4 -44.2 1.1 11.8 57.7 104 104 A E H 3<5S+ 0 0 54 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.866 107.1 52.7 -55.9 -39.8 3.2 11.5 60.8 105 105 A A T 3<5S- 0 0 88 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.496 123.6-104.7 -75.1 -6.7 0.1 11.1 62.9 106 106 A G T < 5 + 0 0 62 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.630 59.9 165.8 89.0 18.6 -1.1 8.2 60.7 107 107 A A < - 0 0 26 -5,-2.6 -1,-0.2 -6,-0.2 2,-0.1 -0.288 37.9-112.0 -63.5 148.6 -3.8 10.1 58.8 108 108 A T > - 0 0 89 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.320 26.0-107.2 -74.1 165.1 -5.1 8.4 55.7 109 109 A F H > S+ 0 0 42 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.913 121.8 51.1 -57.6 -45.2 -4.5 9.7 52.3 110 110 A E H > S+ 0 0 139 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.879 108.0 52.1 -62.1 -38.4 -8.1 10.8 52.0 111 111 A A H > S+ 0 0 26 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.901 109.4 50.7 -64.6 -40.3 -7.9 12.6 55.3 112 112 A I H X S+ 0 0 2 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.950 111.0 47.5 -65.1 -46.1 -4.8 14.5 54.1 113 113 A K H X S+ 0 0 86 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.902 107.5 57.7 -60.3 -37.7 -6.5 15.5 51.0 114 114 A E H < S+ 0 0 129 -4,-2.4 4,-0.5 1,-0.2 3,-0.4 0.893 110.0 43.6 -56.0 -46.1 -9.5 16.6 53.0 115 115 A Q H < S+ 0 0 79 -4,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.762 113.7 50.3 -78.0 -23.3 -7.4 19.0 55.0 116 116 A L H >< S+ 0 0 3 -4,-1.8 3,-1.7 1,-0.2 -1,-0.2 0.642 87.6 85.1 -86.9 -10.4 -5.5 20.3 52.0 117 117 A E G >< S+ 0 0 139 -4,-1.2 3,-1.6 -3,-0.4 -1,-0.2 0.886 87.1 53.3 -61.2 -40.1 -8.7 21.0 50.0 118 118 A K G 3 S+ 0 0 106 -4,-0.5 -1,-0.3 -3,-0.3 135,-0.2 0.634 103.3 60.1 -72.0 -7.4 -9.1 24.5 51.7 119 119 A M G < S+ 0 0 16 -3,-1.7 -1,-0.3 -4,-0.1 2,-0.2 0.308 70.3 132.6 -95.7 -1.7 -5.5 25.3 50.6 120 120 A L < + 0 0 117 -3,-1.6 2,-0.3 -30,-0.2 -30,-0.2 -0.439 31.4 166.5 -58.7 127.0 -6.1 24.9 46.9 121 121 A I - 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0 0 1 1,-0.1 -55,-0.1 -53,-0.1 3,-0.1 -0.414 66.4-148.8 -85.1 159.8 10.3 52.0 54.3 190 59 B D S S+ 0 0 83 -57,-0.4 25,-3.1 1,-0.2 2,-0.6 0.617 86.4 59.9-102.2 -12.5 7.6 53.2 56.8 191 60 B N E S-df 134 215B 13 -58,-1.4 -56,-2.2 23,-0.2 2,-0.6 -0.971 76.1-168.1-119.3 108.7 4.7 51.2 55.4 192 61 B L E -df 135 216B 0 23,-2.4 25,-2.8 -2,-0.6 2,-0.6 -0.884 20.8-153.2-116.3 118.9 5.5 47.5 55.5 193 62 B L E -df 136 217B 1 -58,-3.0 -56,-2.5 -2,-0.6 2,-0.4 -0.768 30.4-159.3 -84.8 118.4 3.7 44.6 53.9 194 63 B T E -df 137 218B 0 23,-2.9 25,-2.6 -2,-0.6 2,-0.3 -0.896 14.5-175.4-120.1 135.8 4.5 41.8 56.2 195 64 B F E +d 138 0B 0 -58,-2.4 -56,-2.2 -2,-0.4 2,-0.3 -0.916 2.5 179.0-131.6 150.8 4.4 38.1 55.5 196 65 B F E -d 139 0B 0 23,-0.5 -56,-0.2 25,-0.4 25,-0.2 -0.960 23.3-135.7-151.1 164.0 4.9 35.0 57.7 197 66 B D S S+ 0 0 0 -58,-1.0 2,-0.2 -2,-0.3 -1,-0.2 0.926 76.6 27.3 -91.4 -80.4 4.8 31.2 57.4 198 67 B L S > S- 0 0 0 1,-0.1 3,-2.7 57,-0.1 4,-0.4 -0.564 75.9-115.3 -95.4 152.8 3.1 29.4 60.3 199 68 B G G > S+ 0 0 8 57,-0.7 3,-1.6 1,-0.3 4,-0.4 0.757 109.7 72.0 -49.3 -30.5 0.3 30.7 62.5 200 69 B S G 3 S+ 0 0 34 56,-1.0 4,-0.4 1,-0.3 -1,-0.3 0.658 91.3 60.1 -64.9 -15.4 2.6 30.5 65.5 201 70 B A G <> S+ 0 0 0 -3,-2.7 4,-1.6 1,-0.2 -1,-0.3 0.667 83.1 81.0 -84.5 -16.8 4.5 33.6 64.1 202 71 B R H <> S+ 0 0 71 -3,-1.6 4,-2.4 -4,-0.4 5,-0.2 0.884 83.4 61.0 -62.7 -37.3 1.4 35.8 64.1 203 72 B M H > S+ 0 0 135 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.911 105.1 46.1 -53.4 -52.6 1.7 36.6 67.9 204 73 B N H > S+ 0 0 26 -4,-0.4 4,-2.5 -3,-0.3 -1,-0.2 0.859 111.2 52.2 -64.2 -33.4 5.1 38.2 67.5 205 74 B L H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.903 110.5 48.4 -65.8 -36.9 4.1 40.2 64.5 206 75 B D H X S+ 0 0 62 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.899 110.2 51.7 -69.5 -35.9 1.1 41.5 66.4 207 76 B L H X S+ 0 0 59 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.933 111.9 46.1 -65.3 -43.5 3.3 42.4 69.4 208 77 B V H >X S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 4,-0.5 0.936 106.7 59.4 -65.5 -40.4 5.7 44.3 67.2 209 78 B S H >< S+ 0 0 47 -4,-2.6 3,-0.7 1,-0.3 -1,-0.2 0.858 101.3 55.9 -53.4 -38.5 2.8 46.0 65.5 210 79 B E H 3< S+ 0 0 142 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.689 114.7 38.9 -65.4 -23.1 1.7 47.4 68.9 211 80 B M H << S+ 0 0 115 -3,-1.8 2,-0.3 -4,-0.6 -1,-0.2 0.211 95.7 84.3-119.8 17.2 5.1 49.0 69.4 212 81 B T << - 0 0 17 -3,-0.7 4,-0.1 -4,-0.5 -31,-0.0 -0.863 61.7-143.3-117.1 154.6 6.3 50.5 66.2 213 82 B D S S+ 0 0 167 -2,-0.3 -1,-0.1 2,-0.1 2,-0.1 0.538 78.1 99.0 -83.6 -10.0 5.7 53.8 64.5 214 83 B K S S- 0 0 28 1,-0.1 2,-0.8 -23,-0.0 -23,-0.2 -0.353 82.2-119.1 -72.6 160.2 5.8 52.0 61.2 215 84 B E E -f 191 0B 107 -25,-3.1 -23,-2.4 -2,-0.1 2,-0.4 -0.885 33.2-166.0-102.8 105.2 2.6 51.0 59.6 216 85 B L E -f 192 0B 23 -2,-0.8 2,-0.5 -25,-0.2 -23,-0.2 -0.746 13.3-167.1 -88.2 137.2 2.5 47.2 59.3 217 86 B T E -f 193 0B 49 -25,-2.8 -23,-2.9 -2,-0.4 2,-0.5 -0.963 14.3-160.2-117.1 110.6 0.0 45.5 57.1 218 87 B I E -f 194 0B 28 -2,-0.5 2,-0.5 -25,-0.2 -23,-0.2 -0.774 5.7-153.7 -94.1 125.2 0.2 41.8 58.1 219 88 B F - 0 0 11 -25,-2.6 2,-1.8 -2,-0.5 -23,-0.5 -0.881 14.9-145.8-107.5 128.9 -1.2 39.5 55.5 220 89 B N + 0 0 59 -2,-0.5 32,-2.6 -25,-0.1 -25,-0.1 -0.527 63.5 116.1 -86.4 70.1 -2.7 36.1 56.2 221 90 B V S S- 0 0 0 -2,-1.8 -25,-0.4 30,-0.2 30,-0.1 -0.845 79.0 -72.1-129.8 162.8 -1.4 34.6 53.0 222 91 B P >> - 0 0 0 0, 0.0 4,-1.9 0, 0.0 5,-0.5 -0.374 45.4-130.1 -55.9 141.5 1.1 31.9 52.1 223 92 B L H >5S+ 0 0 0 3,-0.2 4,-2.1 2,-0.2 5,-0.4 0.929 97.4 33.6 -62.5 -58.2 4.6 33.1 52.8 224 93 B I H >5S+ 0 0 0 2,-0.2 4,-2.4 3,-0.2 5,-0.3 0.982 125.0 39.2 -67.1 -55.1 6.3 32.3 49.6 225 94 B E H >5S+ 0 0 10 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.896 121.3 45.5 -66.2 -37.8 3.6 32.8 47.1 226 95 B G H X5S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.951 116.1 42.5 -71.5 -48.5 2.2 35.9 48.9 227 96 B A H XS+ 0 0 50 -4,-2.2 5,-2.7 -5,-0.2 4,-0.5 0.921 112.5 49.2 -63.3 -45.6 3.9 43.9 42.0 234 103 B L H ><5S+ 0 0 28 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.943 110.7 50.5 -61.1 -45.4 5.7 46.5 44.2 235 104 B E H 3<5S+ 0 0 52 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.879 107.4 54.1 -57.0 -40.1 8.8 46.3 42.0 236 105 B A H 3<5S- 0 0 89 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.559 123.8-104.7 -73.5 -9.4 6.6 46.8 38.9 237 106 B G T <<5 + 0 0 59 -3,-1.5 -3,-0.2 -4,-0.5 -2,-0.1 0.586 61.1 162.8 93.5 15.5 5.1 50.0 40.5 238 107 B A < - 0 0 29 -5,-2.7 -1,-0.2 -6,-0.2 2,-0.1 -0.298 40.2-111.3 -61.7 149.5 1.7 48.7 41.4 239 108 B T > - 0 0 91 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.350 24.5-109.6 -75.1 165.2 -0.2 50.7 43.9 240 109 B F H > S+ 0 0 41 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.924 120.6 53.1 -60.2 -42.9 -0.9 49.5 47.4 241 110 B E H > S+ 0 0 121 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.913 108.8 49.9 -59.6 -40.1 -4.5 49.1 46.6 242 111 B A H > S+ 0 0 38 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.911 112.0 48.0 -65.2 -42.5 -3.7 46.9 43.6 243 112 B I H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.941 111.3 50.1 -65.8 -45.7 -1.3 44.8 45.7 244 113 B K H X S+ 0 0 80 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.906 107.2 55.5 -59.9 -40.2 -4.0 44.4 48.4 245 114 B E H X S+ 0 0 124 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.902 111.5 43.3 -61.7 -40.2 -6.5 43.3 45.8 246 115 B Q H >< S+ 0 0 64 -4,-1.7 3,-0.8 1,-0.2 4,-0.3 0.929 113.9 49.9 -72.9 -39.5 -4.3 40.6 44.6 247 116 B L H >< S+ 0 0 0 -4,-2.8 3,-2.0 1,-0.2 4,-0.2 0.839 100.0 65.5 -68.7 -29.4 -3.3 39.4 48.0 248 117 B E H >< S+ 0 0 109 -4,-2.6 3,-1.1 1,-0.3 -1,-0.2 0.846 94.9 59.9 -57.5 -32.3 -7.0 39.3 49.1 249 118 B K T << S+ 0 0 143 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.656 106.0 48.8 -70.3 -13.4 -7.4 36.5 46.6 250 119 B M T < S+ 0 0 28 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.244 74.4 136.2-112.1 6.6 -4.8 34.5 48.5 251 120 B L < + 0 0 78 -3,-1.1 2,-0.3 -4,-0.2 -30,-0.2 -0.336 28.3 172.5 -63.1 134.6 -6.0 34.8 52.1 252 121 B I - 0 0 27 -32,-2.6 2,-0.5 -2,-0.0 -133,-0.1 -0.932 41.4 -91.0-135.8 162.4 -5.9 31.5 53.9 253 122 B E - 0 0 148 -2,-0.3 2,-0.8 -135,-0.2 3,-0.2 -0.729 32.0-154.8 -74.0 122.2 -6.4 30.3 57.4 254 123 B K + 0 0 28 -2,-0.5 -52,-0.1 1,-0.2 -1,-0.1 -0.656 43.3 137.5-107.5 72.4 -3.0 30.4 59.2 255 124 B R + 0 0 186 -2,-0.8 -1,-0.2 -56,-0.1 2,-0.1 0.542 30.7 110.7 -89.6 -24.4 -3.7 27.7 61.8 256 125 B S - 0 0 22 -3,-0.2 -56,-1.0 -59,-0.2 -57,-0.7 -0.378 46.9-167.4 -68.1 144.1 -0.5 25.8 61.8 257 126 B H - 0 0 95 -58,-0.2 2,-0.4 -59,-0.1 -2,-0.1 -0.975 17.8-139.0-134.8 146.8 1.8 26.0 64.8 258 127 B H 0 0 40 -2,-0.4 -233,-0.0 -60,-0.1 -237,-0.0 -0.809 360.0 360.0 -96.0 138.9 5.3 25.1 65.6 259 128 B H 0 0 168 -2,-0.4 -2,-0.1 -235,-0.1 -85,-0.0 -0.993 360.0 360.0-107.9 360.0 5.9 23.5 69.0