==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-SEP-06 2J5V . COMPND 2 MOLECULE: GLUTAMATE 5-KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.MARCO-MARIN,F.GIL-ORTIZ,I.PEREZ-ARELLANO,J.CERVERA,I.FITA, . 652 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25713.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 471 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 7.4 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 . 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 . 1 0.2 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 . 38 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 202 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.8 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 3 0 4 2 1 1 1 2 0 1 0 4 0 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 3 1 6 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 . 2 0 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 1 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 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 D 0 0 193 0, 0.0 2,-0.2 0, 0.0 40,-0.0 0.000 360.0 360.0 360.0 -41.6 10.8 15.3 -17.7 2 4 A S - 0 0 72 38,-0.1 2,-0.2 39,-0.1 39,-0.1 -0.587 360.0-160.0 -69.1 141.8 7.8 14.1 -19.9 3 5 A Q - 0 0 44 -2,-0.2 39,-3.8 2,-0.0 2,-0.5 -0.771 20.5-126.9-128.7 169.8 4.6 15.5 -18.4 4 6 A T E -a 42 0A 11 -2,-0.2 157,-2.3 37,-0.2 158,-1.9 -0.958 27.5-176.4-122.1 115.0 0.8 15.1 -18.3 5 7 A L E -ab 43 162A 0 37,-3.2 39,-2.5 -2,-0.5 2,-0.5 -0.933 14.5-159.3-116.2 132.3 -1.4 18.1 -19.0 6 8 A V E -ab 44 163A 0 156,-1.9 158,-3.2 -2,-0.4 2,-0.5 -0.939 12.1-163.9-102.9 124.4 -5.2 18.4 -18.9 7 9 A V E -ab 45 164A 0 37,-2.7 39,-2.8 -2,-0.5 2,-0.5 -0.951 2.0-159.2-112.1 124.3 -6.6 21.3 -20.9 8 10 A K E -ab 46 165A 1 156,-3.0 158,-2.6 -2,-0.5 2,-0.5 -0.908 8.3-175.6-108.2 128.1 -10.2 22.3 -20.3 9 11 A L E -ab 47 166A 1 37,-2.4 39,-2.2 -2,-0.5 158,-0.1 -0.946 7.9-163.1-126.6 103.6 -12.0 24.3 -22.9 10 12 A G >> - 0 0 3 156,-0.6 4,-1.9 -2,-0.5 3,-1.0 -0.268 38.5 -89.3 -77.3 174.8 -15.5 25.6 -22.1 11 13 A T H 3> S+ 0 0 23 1,-0.3 4,-1.8 2,-0.2 6,-0.3 0.809 122.7 52.7 -56.9 -40.7 -18.1 26.7 -24.6 12 14 A S H 34>S+ 0 0 45 1,-0.2 5,-0.9 2,-0.2 4,-0.5 0.771 110.2 50.7 -75.9 -19.2 -17.1 30.4 -24.8 13 15 A V H <45S+ 0 0 12 -3,-1.0 3,-0.4 3,-0.2 -2,-0.2 0.908 111.6 46.2 -75.5 -45.6 -13.6 29.4 -25.5 14 16 A L H <5S+ 0 0 0 -4,-1.9 8,-3.1 1,-0.2 12,-0.2 0.744 120.2 39.5 -69.7 -26.6 -14.5 27.0 -28.3 15 17 A T T ><5S- 0 0 5 -4,-1.8 3,-0.8 6,-0.3 5,-0.3 0.518 101.8-127.9 -96.9 -8.4 -16.9 29.5 -29.9 16 18 A G T 3 5S- 0 0 45 -4,-0.5 -3,-0.2 -3,-0.4 -4,-0.1 0.807 76.7 -53.0 57.8 29.4 -14.7 32.6 -29.3 17 19 A G T 3 - 0 0 47 -8,-3.1 4,-2.4 1,-0.2 5,-0.2 -0.803 20.9-173.3 -98.4 100.0 -14.7 28.5 -34.2 23 25 A R H > S+ 0 0 144 -2,-0.9 4,-2.9 1,-0.2 5,-0.2 0.853 84.5 56.2 -62.0 -36.9 -12.6 26.0 -36.1 24 26 A A H > S+ 0 0 68 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.923 110.9 42.5 -58.2 -48.7 -9.8 28.6 -36.6 25 27 A H H > S+ 0 0 94 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.907 116.5 49.4 -68.7 -41.3 -9.4 29.2 -32.8 26 28 A I H X S+ 0 0 2 -4,-2.4 4,-2.9 -12,-0.2 3,-0.2 0.923 106.3 52.5 -66.0 -45.9 -9.6 25.6 -32.0 27 29 A V H X S+ 0 0 36 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.864 107.0 55.7 -61.6 -34.3 -7.1 24.3 -34.6 28 30 A E H X S+ 0 0 77 -4,-1.5 4,-1.4 -5,-0.2 -1,-0.2 0.903 109.8 44.7 -59.6 -44.3 -4.6 26.9 -33.1 29 31 A L H X S+ 0 0 9 -4,-1.5 4,-2.0 -3,-0.2 -2,-0.2 0.884 112.2 52.6 -69.2 -38.8 -5.1 25.3 -29.7 30 32 A V H X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.2 5,-0.2 0.926 105.3 55.6 -58.4 -44.5 -4.8 21.9 -31.2 31 33 A R H X S+ 0 0 85 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.870 106.7 50.2 -56.5 -38.2 -1.5 22.9 -32.8 32 34 A Q H X S+ 0 0 6 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.925 113.1 45.6 -67.9 -41.7 -0.2 23.9 -29.3 33 35 A C H X S+ 0 0 3 -4,-2.0 4,-2.9 1,-0.2 3,-0.3 0.935 110.4 53.6 -63.5 -49.0 -1.2 20.5 -27.9 34 36 A A H X S+ 0 0 6 -4,-3.3 4,-3.2 1,-0.2 5,-0.2 0.857 104.8 55.0 -54.8 -40.3 0.2 18.6 -30.9 35 37 A Q H X S+ 0 0 132 -4,-1.8 4,-0.9 -5,-0.2 -1,-0.2 0.889 111.4 44.7 -63.4 -38.7 3.6 20.4 -30.4 36 38 A L H <>S+ 0 0 17 -4,-1.4 5,-2.0 -3,-0.3 3,-0.4 0.913 112.7 51.7 -71.9 -40.1 3.7 19.1 -26.8 37 39 A H H ><5S+ 0 0 34 -4,-2.9 3,-2.4 1,-0.2 -2,-0.2 0.958 107.0 52.2 -58.5 -52.7 2.5 15.7 -27.9 38 40 A A H 3<5S+ 0 0 91 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.768 106.1 56.6 -54.4 -27.0 5.3 15.4 -30.5 39 41 A A T 3<5S- 0 0 76 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.415 129.3 -94.0 -91.1 3.5 7.8 16.3 -27.8 40 42 A G T < 5S+ 0 0 42 -3,-2.4 -3,-0.2 1,-0.3 -2,-0.1 0.248 80.0 135.9 109.7 -10.6 6.7 13.4 -25.5 41 43 A H < - 0 0 23 -5,-2.0 2,-0.6 -6,-0.1 -1,-0.3 -0.278 53.6-123.1 -70.1 152.5 4.1 15.1 -23.3 42 44 A R E -a 4 0A 63 -39,-3.8 -37,-3.2 2,-0.0 2,-0.4 -0.889 28.0-165.9-101.1 121.2 0.8 13.5 -22.5 43 45 A I E -a 5 0A 0 -2,-0.6 2,-0.4 -39,-0.2 -37,-0.2 -0.913 8.9-174.7-111.7 132.6 -2.2 15.6 -23.4 44 46 A V E -a 6 0A 0 -39,-2.5 -37,-2.7 -2,-0.4 2,-0.5 -0.994 13.1-149.5-122.9 131.1 -5.8 15.1 -22.2 45 47 A I E -ac 7 130A 1 84,-3.3 86,-3.5 -2,-0.4 2,-0.6 -0.871 10.6-171.1-102.6 128.5 -8.7 17.3 -23.6 46 48 A V E -ac 8 131A 0 -39,-2.8 -37,-2.4 -2,-0.5 2,-0.4 -0.963 24.0-172.8-112.4 112.3 -11.8 18.1 -21.5 47 49 A T E -a 9 0A 0 84,-2.0 86,-0.3 -2,-0.6 -37,-0.2 -0.836 19.3-172.7-113.3 138.5 -14.2 19.7 -24.0 48 50 A S + 0 0 0 -39,-2.2 -38,-0.1 -2,-0.4 -1,-0.0 -0.114 51.1 90.1 -94.1-156.9 -17.6 21.5 -23.7 49 51 A G > + 0 0 0 604,-0.3 4,-2.8 -2,-0.1 5,-0.2 0.490 40.3 125.3 87.8 3.8 -19.7 22.6 -26.7 50 52 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.957 81.8 44.5 -58.7 -50.3 -22.0 19.6 -27.4 51 53 A I H > S+ 0 0 27 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.928 114.7 48.0 -60.6 -45.9 -25.2 21.7 -27.1 52 54 A A H > S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.927 112.9 48.9 -63.1 -42.0 -23.7 24.6 -29.2 53 55 A A H X S+ 0 0 4 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.912 111.7 51.4 -60.5 -41.2 -22.5 22.0 -31.8 54 56 A G H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.914 108.0 48.9 -63.1 -46.6 -26.0 20.5 -31.8 55 57 A R H X>S+ 0 0 96 -4,-2.5 5,-3.7 1,-0.2 4,-0.5 0.902 114.3 46.6 -61.9 -41.9 -28.0 23.7 -32.3 56 58 A E H ><5S+ 0 0 80 -4,-1.9 3,-1.1 -5,-0.2 -2,-0.2 0.938 111.4 50.5 -66.0 -45.8 -25.7 24.7 -35.2 57 59 A H H 3<5S+ 0 0 46 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.875 113.0 45.9 -63.2 -38.0 -25.9 21.3 -36.9 58 60 A L H 3<5S- 0 0 35 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.526 119.2-110.2 -81.0 -3.4 -29.7 21.2 -36.7 59 61 A G T <<5 - 0 0 54 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.812 64.2 -65.5 80.3 31.7 -29.9 24.8 -38.0 60 62 A Y S S- 0 0 72 -2,-2.3 4,-1.2 1,-0.1 5,-0.1 -0.748 79.5-108.4-127.2 174.7 -37.0 21.1 -21.4 67 69 A I H > S+ 0 0 105 -2,-0.2 4,-1.8 2,-0.2 5,-0.2 0.847 116.2 62.0 -78.5 -29.5 -34.2 18.9 -20.4 68 70 A A H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.888 101.4 54.5 -59.6 -39.3 -35.0 16.4 -23.1 69 71 A S H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.937 108.9 47.2 -55.4 -49.5 -34.3 19.2 -25.7 70 72 A K H X S+ 0 0 130 -4,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.788 112.3 51.2 -60.8 -31.8 -30.9 19.7 -24.1 71 73 A Q H X S+ 0 0 6 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.871 109.4 47.9 -79.0 -37.1 -30.3 15.9 -24.2 72 74 A L H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.919 111.8 51.4 -65.9 -42.9 -31.3 15.6 -27.9 73 75 A L H X S+ 0 0 2 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.896 111.8 47.3 -59.5 -41.8 -28.9 18.6 -28.7 74 76 A A H X S+ 0 0 2 -4,-1.8 4,-3.3 2,-0.2 5,-0.3 0.850 108.4 54.7 -67.5 -36.5 -26.1 16.9 -26.8 75 77 A A H X S+ 0 0 0 -4,-1.8 348,-2.6 2,-0.2 4,-0.9 0.940 118.3 34.5 -65.8 -45.8 -26.7 13.6 -28.6 76 78 A V H X S+ 0 0 0 -4,-2.3 4,-1.7 346,-0.3 -2,-0.2 0.905 122.3 49.2 -68.5 -42.7 -26.4 15.3 -32.0 77 79 A G H X S+ 0 0 0 -4,-3.0 4,-2.8 -5,-0.3 -2,-0.2 0.852 103.9 54.9 -70.8 -41.0 -23.8 17.7 -30.7 78 80 A Q H X S+ 0 0 9 -4,-3.3 4,-2.9 2,-0.2 5,-0.3 0.904 107.1 54.7 -58.4 -40.2 -21.4 15.3 -29.1 79 81 A S H X S+ 0 0 1 -4,-0.9 4,-1.7 -5,-0.3 -2,-0.2 0.958 112.2 41.3 -59.5 -51.2 -21.3 13.4 -32.4 80 82 A R H X S+ 0 0 79 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.879 114.4 55.1 -58.9 -39.0 -20.2 16.6 -34.2 81 83 A L H X S+ 0 0 1 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.946 107.1 45.3 -65.8 -51.2 -17.9 17.5 -31.4 82 84 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.886 112.9 54.1 -61.8 -36.6 -15.9 14.3 -31.3 83 85 A Q H X S+ 0 0 11 -4,-1.7 4,-2.8 -5,-0.3 -2,-0.2 0.944 107.3 49.6 -62.1 -48.0 -15.7 14.5 -35.1 84 86 A L H X S+ 0 0 16 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.894 112.0 47.8 -59.2 -39.4 -14.2 18.0 -35.0 85 87 A W H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.897 113.7 47.6 -71.1 -38.3 -11.6 17.0 -32.4 86 88 A E H X S+ 0 0 10 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.944 111.3 50.1 -65.4 -46.8 -10.6 14.0 -34.5 87 89 A Q H X S+ 0 0 69 -4,-2.8 4,-0.8 2,-0.2 -2,-0.2 0.907 115.3 43.0 -58.9 -44.6 -10.4 15.9 -37.7 88 90 A L H >< S+ 0 0 8 -4,-2.1 3,-0.9 -5,-0.2 4,-0.5 0.934 113.1 49.1 -73.8 -46.8 -8.2 18.6 -36.3 89 91 A F H ><>S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.2 3,-1.2 0.820 104.6 61.7 -59.1 -28.1 -5.9 16.4 -34.3 90 92 A S H ><5S+ 0 0 64 -4,-1.9 3,-2.2 1,-0.3 -1,-0.2 0.799 87.1 71.6 -73.0 -24.7 -5.4 14.2 -37.4 91 93 A I T <<5S+ 0 0 108 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.822 105.9 41.0 -49.4 -31.4 -3.9 17.3 -39.2 92 94 A Y T < 5S- 0 0 91 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.196 124.9-103.3-106.1 11.9 -1.0 16.6 -36.8 93 95 A G T < 5S+ 0 0 63 -3,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.830 77.8 136.8 67.0 36.3 -1.0 12.8 -37.1 94 96 A I < - 0 0 8 -5,-1.9 -1,-0.2 -8,-0.2 2,-0.2 -0.954 43.5-145.7-123.0 130.8 -2.7 12.4 -33.7 95 97 A H - 0 0 66 -2,-0.4 33,-2.5 31,-0.4 2,-0.3 -0.595 12.3-153.6 -88.3 152.9 -5.6 10.0 -32.8 96 98 A V E -d 128 0A 3 31,-0.2 2,-0.4 -2,-0.2 308,-0.1 -0.818 3.6-152.3-122.0 161.8 -8.3 10.7 -30.3 97 99 A G E -d 129 0A 0 31,-1.8 33,-2.6 -2,-0.3 2,-0.4 -0.982 17.6-130.9-137.7 127.1 -10.5 8.6 -28.0 98 100 A Q E +d 130 0A 4 302,-2.7 2,-0.4 -2,-0.4 33,-0.2 -0.610 24.7 178.0 -79.8 127.9 -14.0 9.5 -26.8 99 101 A M E -d 131 0A 1 31,-2.1 33,-2.1 -2,-0.4 2,-0.5 -0.989 3.1-175.9-129.7 122.4 -14.7 9.1 -23.1 100 102 A L E +d 132 0A 5 -2,-0.4 2,-0.3 31,-0.2 33,-0.2 -0.975 18.5 154.2-119.2 129.5 -18.1 10.2 -21.8 101 103 A L E -d 133 0A 4 31,-2.1 33,-1.4 -2,-0.5 2,-0.2 -0.944 27.5-163.2-152.1 167.0 -18.8 10.0 -18.1 102 104 A T > - 0 0 3 -2,-0.3 3,-1.0 31,-0.2 41,-0.2 -0.767 54.3 -82.1-135.8-177.8 -20.7 11.2 -15.0 103 105 A R G > S+ 0 0 54 39,-2.3 3,-1.9 -2,-0.2 40,-0.1 0.760 121.7 72.4 -61.0 -25.0 -20.2 10.9 -11.3 104 106 A A G > S+ 0 0 0 38,-0.6 3,-1.4 1,-0.3 -1,-0.2 0.853 88.8 59.0 -57.9 -37.2 -21.8 7.4 -11.6 105 107 A D G < S+ 0 0 15 -3,-1.0 10,-0.3 1,-0.3 -1,-0.3 0.424 113.4 40.0 -72.1 3.3 -18.6 6.2 -13.2 106 108 A M G < S+ 0 0 0 -3,-1.9 123,-0.3 122,-0.2 -1,-0.3 0.142 80.2 103.3-136.6 13.9 -16.9 7.3 -10.0 107 109 A E S < S+ 0 0 54 -3,-1.4 162,-0.5 122,-0.2 2,-0.3 0.597 88.0 39.0 -70.0 -9.8 -19.4 6.2 -7.4 108 110 A D S > S- 0 0 53 -4,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.916 80.4-121.3-139.4 154.0 -17.1 3.2 -6.6 109 111 A R H > S+ 0 0 74 -2,-0.3 4,-3.0 2,-0.2 5,-0.2 0.937 114.7 51.9 -62.0 -45.5 -13.5 2.4 -6.3 110 112 A E H > S+ 0 0 115 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.920 112.0 42.8 -60.6 -48.1 -13.8 -0.2 -9.1 111 113 A R H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.868 114.4 52.6 -68.7 -36.9 -15.5 2.1 -11.6 112 114 A F H X S+ 0 0 12 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.955 112.3 43.9 -58.7 -51.2 -13.1 4.9 -10.7 113 115 A L H X S+ 0 0 42 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.875 109.2 58.1 -65.9 -34.9 -10.1 2.6 -11.3 114 116 A N H X S+ 0 0 17 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.951 109.8 42.9 -60.5 -49.4 -11.7 1.3 -14.5 115 117 A A H X S+ 0 0 2 -4,-2.2 4,-2.6 -10,-0.3 5,-0.2 0.910 111.9 56.0 -59.6 -44.6 -11.9 4.8 -16.0 116 118 A R H X S+ 0 0 72 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.950 108.8 46.3 -51.1 -52.8 -8.4 5.5 -14.7 117 119 A D H X S+ 0 0 64 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.863 111.7 51.3 -62.1 -39.2 -6.9 2.5 -16.5 118 120 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.944 111.5 46.4 -62.9 -47.4 -8.7 3.4 -19.8 119 121 A L H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.942 116.0 45.9 -64.9 -43.9 -7.5 7.0 -19.7 120 122 A R H X S+ 0 0 78 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.846 108.6 55.2 -67.2 -35.3 -3.9 5.8 -19.0 121 123 A A H X S+ 0 0 11 -4,-2.7 4,-1.1 -5,-0.2 -1,-0.2 0.908 107.5 51.7 -61.7 -41.2 -4.1 3.1 -21.6 122 124 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.8 -5,-0.2 3,-0.6 0.957 112.3 45.3 -56.0 -48.9 -5.0 5.8 -24.2 123 125 A L H ><5S+ 0 0 7 -4,-2.0 3,-2.5 1,-0.2 -2,-0.2 0.908 106.9 56.8 -66.9 -41.8 -2.0 7.9 -23.1 124 126 A D H 3<5S+ 0 0 101 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.732 111.0 46.9 -58.3 -26.7 0.5 5.0 -23.1 125 127 A N T <<5S- 0 0 61 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.134 120.4-111.7-103.2 19.6 -0.5 4.5 -26.7 126 128 A N T < 5 + 0 0 112 -3,-2.5 2,-0.4 1,-0.2 -31,-0.4 0.667 69.8 140.9 63.6 20.8 -0.2 8.2 -27.5 127 129 A V < - 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0 0 54 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.891 60.6 -70.0 73.4 43.0 -3.4 -0.0 -37.5 385 62 B Y S S- 0 0 68 -2,-2.9 4,-1.4 1,-0.1 3,-0.3 -0.885 79.6-112.3-135.2 164.7 -6.7 -6.6 -20.9 392 69 B I H > S+ 0 0 71 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.855 116.1 62.7 -65.8 -32.9 -10.0 -4.8 -20.5 393 70 B A H > S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.908 101.2 54.0 -56.1 -40.9 -8.1 -1.5 -20.6 394 71 B S H > S+ 0 0 9 -3,-0.3 4,-2.4 -5,-0.3 -1,-0.2 0.934 109.2 45.6 -58.2 -51.9 -7.1 -2.5 -24.2 395 72 B K H X S+ 0 0 118 -4,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.882 114.0 49.3 -60.0 -41.1 -10.7 -3.1 -25.3 396 73 B Q H X S+ 0 0 4 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.886 109.6 50.7 -70.2 -36.6 -11.8 0.1 -23.7 397 74 B L H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.927 112.1 48.2 -64.2 -43.2 -9.1 2.1 -25.3 398 75 B L H X S+ 0 0 0 -4,-2.4 4,-3.6 1,-0.2 5,-0.2 0.903 111.5 49.7 -62.7 -42.4 -10.0 0.6 -28.7 399 76 B A H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.858 106.8 55.4 -65.1 -35.8 -13.7 1.4 -28.1 400 77 B A H X S+ 0 0 0 -4,-2.2 -302,-2.7 2,-0.2 4,-0.9 0.920 117.6 35.9 -61.0 -44.0 -12.9 5.0 -27.1 401 78 B V H X S+ 0 0 1 -4,-1.9 4,-1.6 -304,-0.3 -2,-0.2 0.933 120.7 47.2 -73.1 -48.9 -11.1 5.4 -30.5 402 79 B G H X S+ 0 0 0 -4,-3.6 4,-3.0 1,-0.2 -3,-0.2 0.850 105.9 56.9 -62.0 -39.6 -13.5 3.2 -32.5 403 80 B Q H X S+ 0 0 7 -4,-2.9 4,-2.3 2,-0.2 5,-0.3 0.869 104.3 54.5 -65.4 -35.0 -16.7 4.8 -31.2 404 81 B S H X S+ 0 0 0 -4,-0.9 4,-1.5 -5,-0.3 -1,-0.2 0.957 114.8 40.0 -56.7 -50.4 -15.4 8.2 -32.4 405 82 B R H X S+ 0 0 81 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.849 113.0 55.8 -67.1 -37.0 -15.0 6.7 -35.9 406 83 B L H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 5,-0.2 0.948 107.3 46.0 -65.4 -51.6 -18.2 4.7 -35.7 407 84 B I H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.892 111.0 55.3 -61.1 -38.7 -20.6 7.6 -35.0 408 85 B Q H X S+ 0 0 6 -4,-1.5 4,-3.1 -5,-0.3 -1,-0.2 0.900 106.6 51.0 -52.2 -46.2 -18.8 9.6 -37.7 409 86 B L H X S+ 0 0 10 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.923 112.5 44.5 -63.5 -48.8 -19.6 6.8 -40.2 410 87 B W H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.894 114.3 50.8 -60.1 -43.1 -23.2 6.7 -39.3 411 88 B E H X S+ 0 0 9 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.950 113.6 43.8 -59.4 -49.9 -23.4 10.5 -39.4 412 89 B Q H X S+ 0 0 61 -4,-3.1 4,-1.1 2,-0.2 -2,-0.2 0.893 115.0 48.0 -67.0 -43.5 -21.8 10.7 -42.8 413 90 B L H >< S+ 0 0 10 -4,-2.6 3,-0.6 1,-0.2 4,-0.4 0.917 113.2 46.2 -67.2 -45.3 -23.8 7.9 -44.4 414 91 B F H ><>S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.2 3,-1.5 0.831 103.8 64.8 -65.1 -29.2 -27.2 9.2 -43.1 415 92 B S H ><5S+ 0 0 65 -4,-1.9 3,-2.1 1,-0.3 -1,-0.2 0.837 86.0 70.7 -68.0 -26.6 -26.3 12.6 -44.2 416 93 B I T <<5S+ 0 0 110 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.850 106.4 40.6 -45.9 -35.3 -26.3 11.4 -47.8 417 94 B Y T < 5S- 0 0 91 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.243 123.3-105.5-105.0 11.0 -30.1 11.2 -47.4 418 95 B G T < 5S+ 0 0 64 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.711 76.2 137.0 71.8 25.1 -30.4 14.4 -45.4 419 96 B I < - 0 0 9 -5,-2.0 -1,-0.2 -8,-0.1 2,-0.2 -0.876 44.2-144.7-110.8 134.0 -30.9 12.7 -42.1 420 97 B H - 0 0 64 -2,-0.4 33,-2.5 31,-0.4 2,-0.3 -0.632 13.5-153.7 -91.0 151.8 -29.3 13.7 -38.8 421 98 B V E -o 453 0D 2 -2,-0.2 2,-0.4 31,-0.2 -342,-0.1 -0.845 3.5-152.8-123.7 162.3 -28.1 11.2 -36.2 422 99 B G E -o 454 0D 0 31,-1.8 33,-3.1 -2,-0.3 2,-0.4 -0.998 17.2-128.9-138.3 131.3 -27.6 11.5 -32.4 423 100 B Q E +o 455 0D 3 -348,-2.6 2,-0.4 -2,-0.4 33,-0.2 -0.683 24.8 177.1 -83.0 128.8 -25.2 9.4 -30.3 424 101 B M E -o 456 0D 1 31,-2.1 33,-1.8 -2,-0.4 2,-0.5 -0.992 2.8-177.8-128.4 126.1 -26.4 7.6 -27.2 425 102 B L E +o 457 0D 6 -2,-0.4 2,-0.3 31,-0.2 33,-0.2 -0.987 18.5 155.0-122.5 126.6 -24.1 5.4 -25.1 426 103 B L E -o 458 0D 2 31,-1.7 33,-1.8 -2,-0.5 2,-0.2 -0.876 24.7-163.8-144.9 168.3 -25.5 3.5 -22.2 427 104 B T > - 0 0 5 -2,-0.3 3,-0.9 31,-0.2 41,-0.2 -0.784 52.5 -81.5-138.6-172.2 -25.1 0.5 -19.8 428 105 B R G > S+ 0 0 52 39,-2.6 3,-2.1 -2,-0.2 40,-0.1 0.795 122.5 70.6 -65.3 -26.9 -27.3 -1.3 -17.3 429 106 B A G > S+ 0 0 1 38,-0.6 3,-1.6 1,-0.3 -1,-0.2 0.843 90.1 59.8 -55.6 -38.7 -26.4 1.5 -14.8 430 107 B D G < S+ 0 0 13 -3,-0.9 10,-0.3 1,-0.3 -1,-0.3 0.392 110.9 42.3 -74.0 1.6 -28.5 3.9 -16.8 431 108 B M G < S+ 0 0 0 -3,-2.1 -1,-0.3 124,-0.2 125,-0.3 0.080 78.5 104.8-131.4 20.9 -31.5 1.7 -16.2 432 109 B E S < S+ 0 0 55 -3,-1.6 164,-0.3 124,-0.2 2,-0.3 0.553 86.5 41.5 -76.5 -5.5 -30.9 0.8 -12.5 433 110 B D S > S- 0 0 64 -4,-0.1 4,-1.1 1,-0.1 5,-0.1 -0.904 79.5-126.5-132.2 156.1 -33.7 3.3 -11.6 434 111 B R H > S+ 0 0 116 -2,-0.3 4,-3.4 2,-0.2 5,-0.2 0.914 115.1 55.2 -63.2 -43.4 -37.1 4.0 -13.0 435 112 B E H > S+ 0 0 106 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.906 108.6 42.5 -60.0 -48.3 -35.8 7.6 -13.1 436 113 B R H > S+ 0 0 7 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.813 115.0 52.8 -68.5 -29.6 -32.7 7.0 -15.2 437 114 B F H X S+ 0 0 15 -4,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.962 109.4 47.3 -67.0 -52.7 -34.7 4.7 -17.4 438 115 B L H X S+ 0 0 44 -4,-3.4 4,-2.5 1,-0.2 -2,-0.2 0.884 109.9 55.9 -52.9 -39.8 -37.3 7.4 -18.0 439 116 B N H X S+ 0 0 12 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.913 109.2 44.0 -60.5 -44.9 -34.5 9.8 -18.7 440 117 B A H X S+ 0 0 0 -4,-1.8 4,-2.3 -10,-0.3 -2,-0.2 0.916 112.4 53.9 -67.9 -41.7 -33.0 7.7 -21.4 441 118 B R H X S+ 0 0 76 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.878 108.4 50.4 -55.1 -44.9 -36.5 7.1 -22.8 442 119 B D H X S+ 0 0 61 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.905 108.7 49.6 -63.0 -45.7 -37.1 10.9 -23.0 443 120 B T H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.966 113.6 47.1 -57.7 -52.9 -33.9 11.6 -24.8 444 121 B L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.889 113.5 46.1 -57.5 -46.1 -34.6 8.9 -27.4 445 122 B R H X S+ 0 0 75 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.835 109.9 55.4 -68.2 -32.8 -38.3 10.0 -28.0 446 123 B A H X S+ 0 0 12 -4,-2.3 4,-0.7 -5,-0.2 -1,-0.2 0.852 108.5 49.3 -64.9 -35.0 -37.1 13.6 -28.2 447 124 B L H ><>S+ 0 0 0 -4,-1.8 5,-2.5 -5,-0.2 3,-1.3 0.978 113.6 43.9 -66.0 -57.1 -34.7 12.6 -31.0 448 125 B L H ><5S+ 0 0 7 -4,-2.4 3,-2.1 1,-0.3 -2,-0.2 0.901 108.9 58.5 -53.7 -46.8 -37.4 10.7 -32.9 449 126 B D H 3<5S+ 0 0 105 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.668 109.5 45.2 -56.6 -23.7 -39.9 13.5 -32.4 450 127 B N T <<5S- 0 0 64 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 -0.016 121.6-106.2-112.8 22.0 -37.5 15.9 -34.2 451 128 B N T < 5S+ 0 0 114 -3,-2.1 -31,-0.4 1,-0.2 2,-0.4 0.623 74.6 137.5 67.2 18.6 -36.7 13.5 -37.0 452 129 B V < - 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