==== 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 22-SEP-06 2IG7 . COMPND 2 MOLECULE: CHOLINE/ETHANOLAMINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.M.RABEH,W.TEMPEL,L.NEDYALKOVA,G.WASNEY,R.LANDRY,M.VEDADI, . 677 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29469.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 493 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 11.8 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 . 0 0.0 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 . 1 0.1 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 . 44 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 278 41.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 2 0 0 0 0 0 2 0 0 3 3 4 2 0 0 1 1 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 3 3 5 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 ANTIPARALLEL BRIDGES PER LADDER . 4 2 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 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 43 A R > 0 0 137 0, 0.0 4,-1.3 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -15.8 6.8 25.6 20.7 2 44 A D H > + 0 0 138 2,-0.2 4,-1.2 3,-0.2 5,-0.0 0.618 360.0 49.7 -98.9 -18.2 6.5 22.5 23.0 3 45 A A H > S+ 0 0 59 2,-0.2 4,-1.9 3,-0.1 -1,-0.1 0.748 112.1 53.1 -73.1 -34.2 9.4 20.6 21.3 4 46 A E H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.915 112.3 41.7 -61.5 -48.2 11.1 24.0 21.8 5 47 A R H X S+ 0 0 61 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.868 112.5 54.0 -69.8 -40.3 10.3 24.0 25.6 6 48 A R H X S+ 0 0 31 -4,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.891 107.6 51.3 -61.8 -42.6 11.1 20.3 26.0 7 49 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.940 110.1 49.4 -59.0 -51.9 14.5 20.9 24.5 8 50 A Y H X S+ 0 0 31 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.904 111.7 48.4 -48.1 -53.3 15.1 23.8 26.9 9 51 A Q H X S+ 0 0 51 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.899 111.1 50.2 -60.0 -44.8 14.1 21.6 30.0 10 52 A W H X S+ 0 0 43 -4,-2.5 4,-1.9 1,-0.2 5,-0.3 0.957 113.4 45.5 -59.4 -49.1 16.3 18.7 28.9 11 53 A C H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.905 114.5 47.2 -60.0 -44.2 19.3 20.9 28.5 12 54 A R H < S+ 0 0 71 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.870 113.4 50.2 -65.5 -38.7 18.7 22.7 31.7 13 55 A E H < S+ 0 0 40 -4,-2.3 466,-3.1 -5,-0.2 467,-0.5 0.843 123.0 26.2 -66.9 -41.9 18.2 19.3 33.6 14 56 A Y H < S+ 0 0 26 -4,-1.9 2,-0.2 464,-0.2 -2,-0.2 0.710 108.2 72.1-101.3 -28.4 21.3 17.5 32.4 15 57 A L < - 0 0 8 -4,-2.2 464,-0.1 -5,-0.3 2,-0.1 -0.677 64.2-149.7-102.4 152.0 23.9 20.2 31.6 16 58 A G > + 0 0 34 -2,-0.2 3,-1.8 3,-0.1 4,-0.1 -0.156 54.1 26.7-107.7-167.1 25.8 22.4 34.1 17 59 A G G > S+ 0 0 31 1,-0.3 3,-1.9 2,-0.2 4,-0.3 -0.156 126.3 6.2 51.3-130.3 27.4 25.9 34.3 18 60 A A G >> S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 4,-1.7 0.676 117.0 75.7 -56.8 -23.9 25.7 28.5 32.1 19 61 A W G <4 S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.779 91.1 56.9 -64.2 -24.0 22.9 26.1 31.0 20 62 A R G <4 S+ 0 0 95 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.557 111.3 45.0 -77.1 -10.6 21.3 26.6 34.4 21 63 A R T <4 S+ 0 0 139 -3,-1.7 -2,-0.2 -4,-0.3 -1,-0.2 0.736 84.8 105.7 -98.9 -36.7 21.2 30.4 33.6 22 64 A V < - 0 0 2 -4,-1.7 23,-0.0 1,-0.1 -10,-0.0 -0.204 63.2-136.2 -57.7 139.8 20.0 30.5 30.1 23 65 A Q >> - 0 0 88 1,-0.1 4,-2.2 0, 0.0 3,-0.9 -0.676 24.6-107.6 -96.0 152.9 16.3 31.6 29.6 24 66 A P T 34 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -16,-0.1 0.813 122.0 46.5 -47.4 -35.8 13.8 30.0 27.3 25 67 A E T 34 S+ 0 0 151 1,-0.2 -3,-0.0 3,-0.1 0, 0.0 0.772 109.9 53.8 -80.4 -31.2 14.1 32.9 24.9 26 68 A E T <4 S+ 0 0 50 -3,-0.9 -1,-0.2 2,-0.1 2,-0.1 0.916 89.0 93.9 -64.1 -46.5 17.9 33.0 25.0 27 69 A L < - 0 0 6 -4,-2.2 2,-0.6 1,-0.1 18,-0.2 -0.282 67.6-145.5 -63.6 124.6 18.3 29.3 24.0 28 70 A R E +A 44 0A 110 16,-2.3 16,-2.8 -2,-0.1 2,-0.5 -0.795 20.5 177.8 -88.5 115.1 18.8 28.6 20.4 29 71 A V E +A 43 0A 19 -2,-0.6 14,-0.2 14,-0.2 -21,-0.0 -0.904 5.0 179.2-121.6 101.0 17.1 25.3 19.4 30 72 A Y E -A 42 0A 64 12,-2.9 12,-3.3 -2,-0.5 2,-0.1 -0.877 27.4-127.8-104.7 123.6 17.4 24.5 15.6 31 73 A P E -A 41 0A 104 0, 0.0 2,-0.3 0, 0.0 10,-0.3 -0.480 33.4-171.9 -59.4 135.3 16.0 21.4 14.0 32 74 A V E -A 40 0A 55 8,-2.5 2,-0.6 -2,-0.1 8,-0.6 -0.843 38.2 -78.4-126.4 166.0 18.7 19.6 12.0 33 75 A S + 0 0 118 -2,-0.3 3,-0.1 1,-0.2 6,-0.1 -0.576 50.7 168.9 -68.4 117.0 18.6 16.7 9.6 34 76 A G > - 0 0 19 -2,-0.6 4,-0.5 1,-0.4 3,-0.3 0.360 42.7-115.4-109.1 1.1 18.4 13.7 11.8 35 77 A G T 4 - 0 0 35 1,-0.2 -1,-0.4 2,-0.1 5,-0.1 -0.611 47.5 -52.3 94.6-158.9 17.6 11.0 9.2 36 78 A L T 4 S+ 0 0 30 -2,-0.2 277,-0.2 -3,-0.1 -1,-0.2 0.322 126.5 41.2-111.0 6.5 14.5 8.9 8.9 37 79 A S T 4 S+ 0 0 14 -3,-0.3 2,-0.3 1,-0.2 30,-0.2 0.727 110.8 33.8-112.4 -45.7 14.1 7.3 12.3 38 80 A N < - 0 0 8 -4,-0.5 2,-0.3 26,-0.2 -1,-0.2 -0.778 69.4-118.7-120.2 155.9 14.9 10.1 14.9 39 81 A L E - B 0 63A 70 24,-2.2 24,-2.7 -2,-0.3 2,-0.4 -0.691 28.1-162.8 -87.9 145.1 14.5 13.8 15.5 40 82 A L E -AB 32 62A 16 -8,-0.6 -8,-2.5 -2,-0.3 2,-0.4 -0.999 8.6-177.3-135.0 131.0 17.6 15.9 15.9 41 83 A F E -AB 31 61A 22 20,-2.0 20,-2.9 -2,-0.4 2,-0.6 -0.993 21.2-140.5-126.8 137.7 18.0 19.4 17.4 42 84 A R E -AB 30 60A 74 -12,-3.3 -12,-2.9 -2,-0.4 2,-0.5 -0.868 22.9-166.6 -95.0 121.4 21.0 21.6 17.7 43 85 A C E +AB 29 59A 0 16,-2.7 16,-2.4 -2,-0.6 2,-0.4 -0.945 11.3 174.4-114.1 122.7 20.8 23.4 21.1 44 86 A S E -AB 28 58A 5 -16,-2.8 -16,-2.3 -2,-0.5 14,-0.2 -0.982 29.8-118.9-139.1 146.5 23.2 26.2 21.7 45 87 A L - 0 0 1 12,-2.5 -18,-0.1 -2,-0.4 -26,-0.1 -0.393 51.5 -83.4 -71.4 149.6 23.8 28.9 24.3 46 88 A P > - 0 0 4 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 -0.348 36.5-118.8 -48.8 130.9 23.6 32.6 23.3 47 89 A D T 3 S+ 0 0 119 1,-0.2 -2,-0.1 -3,-0.1 10,-0.0 0.781 112.7 47.1 -25.9 -46.1 26.6 33.9 21.8 48 90 A H T 3 S+ 0 0 117 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.659 83.4 102.1 -85.6 -21.7 26.9 36.4 24.7 49 91 A L S < S- 0 0 1 -3,-1.2 2,-0.1 1,-0.1 -31,-0.1 -0.538 70.2-133.9 -77.3 114.1 26.3 34.2 27.7 50 92 A P - 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.391 15.2-117.2 -71.4 144.4 29.6 33.4 29.3 51 93 A S - 0 0 51 1,-0.1 -34,-0.1 -2,-0.1 3,-0.1 -0.333 7.1-150.3 -67.5 154.1 30.7 29.8 30.4 52 94 A V S S- 0 0 115 -36,-0.1 -1,-0.1 -2,-0.0 2,-0.1 0.777 74.8 -42.1 -88.3 -41.1 31.3 29.0 34.0 53 95 A G S S- 0 0 47 -37,-0.1 -2,-0.1 2,-0.0 -35,-0.0 -0.338 104.5 -26.3-151.7-121.5 33.8 26.3 33.2 54 96 A E S S+ 0 0 134 -2,-0.1 3,-0.1 -3,-0.1 -37,-0.0 0.078 78.5 138.6-104.0 22.4 34.1 23.6 30.6 55 97 A E - 0 0 27 1,-0.1 2,-0.1 2,-0.0 -37,-0.0 -0.339 64.7 -97.4 -57.6 147.1 30.4 22.9 29.9 56 98 A P - 0 0 30 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.422 22.4-149.0 -64.9 148.2 29.7 22.4 26.2 57 99 A R S S+ 0 0 85 1,-0.2 -12,-2.5 -3,-0.1 2,-0.3 0.688 84.6 23.8 -86.0 -23.4 28.4 25.6 24.3 58 100 A E E +B 44 0A 53 -14,-0.2 47,-0.6 47,-0.1 2,-0.3 -0.984 68.7 175.7-140.5 144.0 26.4 23.5 21.9 59 101 A V E -BC 43 104A 0 -16,-2.4 -16,-2.7 -2,-0.3 2,-0.5 -0.938 27.3-119.8-139.0 168.2 24.9 20.0 22.1 60 102 A L E -BC 42 103A 20 43,-2.4 43,-2.9 -2,-0.3 2,-0.6 -0.948 16.5-154.7-108.7 132.8 22.7 17.7 20.0 61 103 A L E -BC 41 102A 1 -20,-2.9 -20,-2.0 -2,-0.5 2,-0.5 -0.934 13.8-169.1-102.1 115.2 19.3 16.6 21.3 62 104 A R E -BC 40 101A 13 39,-2.9 39,-2.5 -2,-0.6 2,-0.5 -0.921 2.9-165.3-110.9 125.2 18.3 13.3 19.7 63 105 A L E -BC 39 100A 33 -24,-2.7 -24,-2.2 -2,-0.5 37,-0.3 -0.938 21.1-123.8-112.9 123.1 14.8 11.9 20.1 64 106 A Y - 0 0 8 35,-2.1 -26,-0.2 -2,-0.5 2,-0.1 -0.360 19.8-130.0 -66.5 134.3 13.9 8.3 19.2 65 107 A G > - 0 0 17 -2,-0.1 3,-2.2 -28,-0.1 246,-0.1 -0.387 35.4 -96.9 -70.7 162.9 11.1 7.7 16.8 66 108 A A G > S+ 0 0 35 244,-0.5 3,-1.7 1,-0.3 4,-0.3 0.801 122.2 63.8 -52.9 -35.2 8.5 5.1 17.8 67 109 A I G 3 S+ 0 0 11 1,-0.3 -1,-0.3 -30,-0.2 3,-0.2 0.685 109.1 40.9 -67.0 -15.0 10.2 2.3 15.9 68 110 A L G < S+ 0 0 3 -3,-2.2 -1,-0.3 -31,-0.2 -2,-0.2 0.108 92.5 87.8-118.0 16.3 13.2 2.6 18.3 69 111 A Q < + 0 0 115 -3,-1.7 -2,-0.1 4,-0.1 -1,-0.1 0.497 56.0 117.1 -97.5 -3.8 11.2 3.1 21.5 70 112 A G S > S- 0 0 38 -4,-0.3 4,-2.7 -3,-0.2 3,-0.2 -0.295 77.2-116.3 -57.6 144.3 10.8 -0.6 22.3 71 113 A V H > S+ 0 0 60 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.859 114.5 52.0 -55.3 -36.8 12.5 -1.6 25.6 72 114 A D H > S+ 0 0 106 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.908 112.6 45.2 -66.0 -43.9 15.0 -3.9 23.8 73 115 A S H > S+ 0 0 27 -3,-0.2 4,-3.2 2,-0.2 5,-0.3 0.882 110.1 55.6 -61.8 -42.7 16.1 -1.2 21.4 74 116 A L H X S+ 0 0 3 -4,-2.7 4,-2.1 1,-0.2 5,-0.3 0.905 109.2 45.8 -60.7 -44.2 16.3 1.4 24.2 75 117 A V H X S+ 0 0 2 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.940 117.0 44.2 -64.4 -45.7 18.7 -0.7 26.2 76 118 A L H X S+ 0 0 19 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.937 115.6 44.8 -66.5 -49.7 20.9 -1.5 23.2 77 119 A E H X S+ 0 0 1 -4,-3.2 4,-2.0 2,-0.2 -1,-0.2 0.882 115.4 48.8 -67.6 -34.2 21.0 2.0 21.7 78 120 A S H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.942 116.2 41.3 -68.9 -48.7 21.6 3.6 25.2 79 121 A V H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.3 5,-0.2 0.921 113.5 52.7 -67.8 -40.7 24.5 1.2 26.2 80 122 A X H X S+ 0 0 1 -4,-2.8 4,-2.5 -5,-0.2 5,-0.3 0.941 110.0 49.2 -64.3 -43.5 26.1 1.2 22.7 81 123 A F H X S+ 0 0 15 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.950 113.7 46.5 -57.4 -47.3 26.2 5.1 22.7 82 124 A A H X S+ 0 0 2 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.924 112.6 49.3 -63.4 -47.5 27.8 5.1 26.2 83 125 A I H X S+ 0 0 4 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.925 112.2 46.4 -57.3 -49.6 30.3 2.4 25.4 84 126 A L H <>S+ 0 0 8 -4,-2.5 5,-3.1 -5,-0.2 6,-0.9 0.893 111.3 53.9 -63.7 -33.9 31.5 4.1 22.1 85 127 A A H ><5S+ 0 0 14 -4,-2.3 3,-1.5 -5,-0.3 -2,-0.2 0.940 108.8 48.6 -63.7 -46.9 31.7 7.5 24.0 86 128 A E H 3<5S+ 0 0 59 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.799 113.1 47.6 -63.2 -32.0 33.9 5.9 26.7 87 129 A R T 3<5S- 0 0 100 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.365 112.4-117.4 -89.8 4.0 36.2 4.4 24.0 88 130 A S T < 5S+ 0 0 105 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.854 86.6 115.9 58.0 34.9 36.4 7.7 22.0 89 131 A L S -D 100 0A 5 3,-2.1 3,-1.0 -2,-0.4 313,-0.1 -0.943 59.7 -92.3-159.0 164.7 16.9 8.9 29.0 98 140 A P T 3 S+ 0 0 20 0, 0.0 -34,-0.1 0, 0.0 3,-0.1 0.812 121.8 50.4 -60.2 -27.4 14.2 6.7 27.6 99 141 A E T 3 S- 0 0 94 1,-0.1 -35,-2.1 -36,-0.1 2,-0.3 0.659 123.9 -68.1 -82.8 -18.6 13.2 9.4 25.0 100 142 A G E < -CD 63 97A 0 -3,-1.0 -3,-2.1 -37,-0.3 2,-0.3 -0.968 54.9 -76.1 161.7-154.7 16.6 10.1 23.6 101 143 A R E -CD 62 96A 0 -39,-2.5 -39,-2.9 -2,-0.3 2,-0.5 -0.992 13.1-133.2-146.5 154.8 20.0 11.6 24.4 102 144 A L E -CD 61 95A 0 -7,-2.3 -8,-2.9 -2,-0.3 -7,-1.6 -0.968 42.3-177.8-106.0 118.9 22.1 14.8 24.8 103 145 A E E -CD 60 93A 2 -43,-2.9 -43,-2.4 -2,-0.5 -10,-0.2 -0.810 32.1 -94.9-119.2 154.8 25.2 14.3 22.8 104 146 A Q E -C 59 0A 59 -12,-2.8 2,-0.5 -2,-0.3 -45,-0.2 -0.388 38.9-127.1 -58.1 138.2 28.4 16.1 22.1 105 147 A Y - 0 0 62 -47,-0.6 -47,-0.1 -2,-0.1 -1,-0.1 -0.832 24.0-160.9 -91.2 122.9 28.3 18.2 18.9 106 148 A I - 0 0 30 -2,-0.5 2,-0.4 -15,-0.0 -47,-0.0 -0.943 22.0-122.6-110.6 117.4 31.2 17.2 16.7 107 149 A P + 0 0 105 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.477 68.6 109.2 -54.9 114.0 32.2 19.7 13.9 108 150 A S - 0 0 44 -2,-0.4 96,-0.2 2,-0.0 94,-0.1 -0.948 58.7-126.3-166.7 174.8 31.9 17.5 10.9 109 151 A R E -E 203 0B 105 94,-0.9 94,-3.0 -2,-0.3 2,-0.2 -0.966 27.5-118.2-132.0 153.4 29.9 16.8 7.8 110 152 A P E -E 202 0B 65 0, 0.0 92,-0.2 0, 0.0 89,-0.2 -0.518 40.4 -98.8 -74.7 155.1 28.4 13.5 6.8 111 153 A L - 0 0 5 90,-1.9 2,-0.3 87,-1.3 90,-0.1 -0.295 35.9-121.2 -66.0 157.7 29.6 12.0 3.5 112 154 A K >> - 0 0 94 1,-0.1 3,-1.0 -3,-0.1 4,-0.7 -0.767 24.9-108.6 -99.0 155.2 27.4 12.5 0.4 113 155 A T G >4 S+ 0 0 4 -2,-0.3 3,-1.2 1,-0.3 4,-0.4 0.872 118.4 51.5 -48.8 -47.4 26.1 9.5 -1.6 114 156 A Q G >4 S+ 0 0 77 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.789 100.7 64.1 -67.4 -24.4 28.5 10.1 -4.6 115 157 A E G X4 S+ 0 0 29 -3,-1.0 3,-1.1 1,-0.2 -1,-0.3 0.712 84.4 73.9 -70.4 -22.8 31.4 10.2 -2.2 116 158 A L G << S+ 0 0 0 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.776 93.9 55.2 -58.1 -28.5 30.9 6.5 -1.2 117 159 A R G < S+ 0 0 62 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.576 77.1 108.7 -84.6 -13.5 32.3 5.5 -4.6 118 160 A E S <> S- 0 0 87 -3,-1.1 4,-3.1 -4,-0.3 5,-0.2 -0.527 73.3-132.5 -64.2 128.8 35.6 7.4 -4.3 119 161 A P H > S+ 0 0 81 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4,-2.2 2,-0.2 -1,-0.2 0.902 111.9 48.0 -60.5 -45.1 6.3 10.4 46.3 490 194 B R H X S+ 0 0 103 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.925 112.9 47.7 -61.7 -47.9 6.0 7.7 43.6 491 195 B Y H X S+ 0 0 6 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.924 111.1 51.3 -58.7 -48.6 6.4 4.9 46.1 492 196 B L H X S+ 0 0 8 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.928 111.4 47.3 -56.3 -47.5 3.8 6.4 48.5 493 197 B K H X S+ 0 0 86 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.919 113.5 47.2 -61.7 -44.8 1.3 6.8 45.7 494 198 B Q H < S+ 0 0 80 -4,-2.3 3,-0.5 2,-0.2 -2,-0.2 0.879 111.6 51.2 -63.5 -38.9 1.9 3.2 44.5 495 199 B I H >< S+ 0 0 14 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.912 106.5 55.5 -64.4 -43.5 1.6 1.8 48.1 496 200 B Q H 3< S+ 0 0 98 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.690 109.1 47.1 -63.2 -22.8 -1.7 3.7 48.5 497 201 B D T 3< S+ 0 0 130 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.290 87.0 117.4-101.4 9.3 -3.1 1.9 45.4 498 202 B L S < S- 0 0 50 -3,-1.7 -3,-0.0 -4,-0.1 153,-0.0 -0.525 70.2-111.7 -73.9 143.0 -1.9 -1.6 46.6 499 203 B P 0 0 105 0, 0.0 -1,-0.1 0, 0.0 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0.893 112.1 51.8 -69.8 -37.5 9.9 3.8 60.5 671 379 B Q H X S+ 0 0 97 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.926 112.2 46.1 -58.6 -42.8 10.5 3.1 64.3 672 380 B F H X S+ 0 0 6 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.908 107.7 58.4 -70.5 -38.4 14.1 4.1 63.9 673 381 B Y H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.942 112.3 40.1 -50.9 -54.2 13.1 7.2 61.8 674 382 B F H X S+ 0 0 65 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.888 112.4 55.4 -66.8 -38.2 11.0 8.4 64.8 675 383 B Q H X S+ 0 0 84 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.958 113.2 41.9 -55.4 -53.2 13.6 7.4 67.3 676 384 B Q H X S+ 0 0 18 -4,-3.0 4,-1.3 2,-0.2 -2,-0.2 0.881 113.0 51.8 -66.4 -34.9 16.2 9.5 65.5 677 385 B K H X S+ 0 0 63 -4,-2.3 4,-1.8 -5,-0.2 3,-0.4 0.912 109.4 52.5 -63.6 -41.3 13.8 12.4 65.0 678 386 B G H X S+ 0 0 37 -4,-2.8 4,-0.9 1,-0.2 -2,-0.2 0.869 109.0 50.1 -61.6 -38.8 13.1 12.2 68.8 679 387 B Q H < S+ 0 0 115 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.734 106.8 54.3 -70.7 -26.4 16.8 12.4 69.4 680 388 B L H < S+ 0 0 61 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.870 96.4 63.9 -74.1 -40.5 17.2 15.4 67.2 681 389 B T H < 0 0 118 -4,-1.8 -2,-0.2 1,-0.4 -1,-0.2 0.879 360.0 360.0 -53.5 -40.8 14.6 17.5 69.0 682 390 B S < 0 0 132 -4,-0.9 -1,-0.4 0, 0.0 -2,-0.2 0.484 360.0 360.0 -58.4 360.0 16.9 17.2 72.0