==== 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 HYDROLASE 03-FEB-05 1YR7 . COMPND 2 MOLECULE: ATP(GTP)BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS ABYSSI; . AUTHOR S.GRAS,P.CARPENTIER,J.ARMENGAUD,D.HOUSSET . 243 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 13.2 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 . 1 0.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 20 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 1 1 0 1 1 1 1 3 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 0 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 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 . 1 0 0 0 0 1 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 1 500 A S 0 0 32 0, 0.0 98,-0.1 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 147.9 43.2 18.7 53.3 2 1 A M - 0 0 23 96,-0.2 97,-2.5 1,-0.2 2,-0.5 0.932 360.0-167.5 37.3 110.0 40.3 20.8 51.9 3 2 A I E -a 99 0A 7 121,-0.2 124,-3.2 95,-0.2 2,-0.5 -0.980 5.7-170.7-118.1 119.2 36.9 20.5 53.5 4 3 A V E -ab 100 127A 0 95,-2.4 97,-2.9 -2,-0.5 2,-0.5 -0.956 4.9-159.1-115.4 132.2 34.1 22.1 51.5 5 4 A V E -ab 101 128A 0 122,-3.6 124,-3.6 -2,-0.5 2,-0.6 -0.921 6.6-147.8-116.6 119.1 30.7 22.4 53.0 6 5 A F E +ab 102 129A 0 95,-2.6 97,-0.8 -2,-0.5 2,-0.3 -0.792 23.0 175.3 -93.2 127.4 27.6 22.9 50.9 7 6 A V E + b 0 130A 0 122,-2.6 124,-2.5 -2,-0.6 2,-0.3 -0.981 15.8 117.9-135.9 135.5 24.9 25.0 52.6 8 7 A G E - b 0 131A 0 -2,-0.3 99,-0.2 122,-0.2 124,-0.1 -0.951 61.0 -68.6 173.9 162.4 21.6 26.1 51.2 9 8 A T S > S- 0 0 71 122,-0.5 3,-2.3 -2,-0.3 5,-0.3 -0.316 70.2 -78.0 -70.5 154.1 17.8 26.0 51.6 10 9 A A T 3 S+ 0 0 46 1,-0.3 -1,-0.1 2,-0.1 96,-0.1 -0.275 121.7 24.4 -50.3 135.5 16.1 22.7 50.9 11 10 A G T 3 S+ 0 0 57 -3,-0.1 -1,-0.3 94,-0.0 -2,-0.1 0.059 88.1 109.6 95.6 -24.8 15.8 22.2 47.1 12 11 A S S < S- 0 0 0 -3,-2.3 -2,-0.1 119,-0.1 120,-0.1 0.728 93.2-105.1 -61.2 -21.6 18.7 24.4 46.3 13 12 A G > + 0 0 11 -4,-0.3 4,-2.3 -5,-0.1 5,-0.2 0.709 67.6 146.0 106.7 26.4 20.8 21.4 45.2 14 13 A K H > S+ 0 0 9 -5,-0.3 4,-2.0 1,-0.2 5,-0.1 0.947 80.0 43.0 -57.3 -51.1 23.4 20.7 48.0 15 14 A T H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.898 113.7 50.6 -61.2 -47.0 23.3 17.0 47.5 16 15 A T H > S+ 0 0 83 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.913 113.0 46.5 -59.4 -41.8 23.4 17.1 43.8 17 16 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.816 108.4 56.3 -73.1 -30.7 26.3 19.5 43.8 18 17 A T H X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.960 112.8 40.8 -63.0 -52.6 28.2 17.3 46.4 19 18 A G H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.951 120.9 41.4 -57.7 -51.1 28.0 14.3 44.1 20 19 A E H X S+ 0 0 42 -4,-2.4 4,-2.8 1,-0.2 -3,-0.2 0.931 115.3 47.3 -73.0 -44.6 28.7 16.1 40.9 21 20 A F H X S+ 0 0 1 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.849 111.7 55.7 -61.6 -32.8 31.5 18.4 42.1 22 21 A G H X S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.3 -2,-0.2 0.983 107.8 45.8 -61.6 -57.9 32.9 15.2 43.8 23 22 A R H < S+ 0 0 137 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.920 110.7 55.1 -50.5 -45.3 33.0 13.3 40.4 24 23 A Y H < S+ 0 0 32 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.949 112.1 42.4 -51.4 -48.3 34.5 16.5 38.9 25 24 A L H >X S+ 0 0 1 -4,-2.3 3,-1.8 1,-0.2 2,-1.4 0.780 95.7 79.4 -74.5 -27.2 37.3 16.4 41.5 26 25 A E T 3< S+ 0 0 80 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.1 -0.137 81.1 69.5 -72.4 38.9 37.8 12.6 41.3 27 26 A D T 34 S+ 0 0 118 -2,-1.4 -1,-0.3 -3,-0.3 -2,-0.1 0.476 120.1 11.7-119.4 -24.0 39.9 13.1 38.1 28 27 A N T <4 S+ 0 0 137 -3,-1.8 2,-0.3 -4,-0.2 -2,-0.2 0.326 123.7 48.6-133.0 -0.1 42.8 14.7 39.8 29 28 A Y S < S- 0 0 69 -4,-1.4 2,-0.6 2,-0.0 -1,-0.1 -0.932 74.0-106.1-145.6 162.4 42.2 14.1 43.5 30 29 A K - 0 0 94 -2,-0.3 68,-2.4 -4,-0.1 67,-1.6 -0.843 46.4-171.4 -87.3 120.7 41.3 12.0 46.5 31 30 A V E -c 98 0A 9 -2,-0.6 2,-0.3 66,-0.2 68,-0.2 -0.947 13.8-168.7-123.0 133.9 37.8 12.8 47.5 32 31 A A E -c 99 0A 3 66,-3.3 68,-3.1 -2,-0.4 2,-0.4 -0.919 12.4-143.6-116.5 146.9 35.7 11.8 50.5 33 32 A Y E -c 100 0A 13 13,-0.4 15,-2.1 -2,-0.3 16,-1.5 -0.892 10.5-170.0-112.2 140.6 31.9 12.4 51.0 34 33 A V E -cd 101 49A 0 66,-2.3 68,-3.4 -2,-0.4 2,-0.7 -0.973 5.8-161.3-130.4 113.2 30.1 13.2 54.3 35 34 A N E +cd 102 50A 0 14,-3.2 16,-2.1 -2,-0.5 17,-0.2 -0.885 16.6 169.6 -95.1 114.7 26.4 13.1 54.6 36 35 A L + 0 0 1 66,-2.8 2,-0.7 -2,-0.7 67,-0.2 0.291 46.6 108.8 -98.6 5.9 25.1 15.0 57.7 37 36 A D > - 0 0 20 65,-0.3 3,-0.7 66,-0.2 15,-0.2 -0.746 44.2-175.1 -91.4 114.8 21.4 14.8 56.5 38 37 A T T 3 S+ 0 0 1 -2,-0.7 19,-0.5 1,-0.2 -1,-0.2 0.802 80.6 50.8 -76.3 -29.9 19.4 12.5 58.7 39 38 A G T 3 S+ 0 0 29 17,-0.2 2,-0.3 18,-0.1 -1,-0.2 -0.100 81.4 119.7-102.9 35.2 16.2 12.7 56.6 40 39 A V < - 0 0 22 -3,-0.7 3,-0.1 1,-0.1 17,-0.0 -0.791 45.2-159.7-106.2 145.7 17.5 12.0 53.2 41 40 A K + 0 0 170 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.967 67.9 6.2 -87.2 -60.2 16.4 9.1 50.9 42 41 A E - 0 0 169 2,-0.0 -1,-0.3 0, 0.0 0, 0.0 -0.972 59.5-150.0-135.8 143.1 19.0 8.5 48.3 43 42 A L - 0 0 20 -2,-0.4 -27,-0.1 2,-0.1 -8,-0.0 -0.891 12.8-149.3-116.4 141.1 22.5 9.8 47.6 44 43 A P S S+ 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.329 86.7 54.2 -89.8 6.9 24.2 10.2 44.3 45 44 A Y S S- 0 0 20 -23,-0.0 -2,-0.1 -22,-0.0 -26,-0.1 -0.852 88.8-112.8-128.8 171.1 27.6 9.6 46.0 46 45 A E - 0 0 176 -2,-0.3 -13,-0.4 -27,-0.1 2,-0.3 -0.931 37.4-144.9-108.1 114.0 29.0 6.9 48.3 47 46 A P - 0 0 38 0, 0.0 -13,-0.2 0, 0.0 3,-0.2 -0.591 23.3-162.5 -85.1 140.7 29.5 8.3 51.7 48 47 A S S S+ 0 0 75 -15,-2.1 2,-0.5 -2,-0.3 -14,-0.2 0.787 94.8 37.3 -77.3 -32.4 32.3 7.4 54.1 49 48 A I E +d 34 0A 8 -16,-1.5 -14,-3.2 -3,-0.1 2,-0.5 -0.974 66.4 170.7-123.1 121.6 30.1 9.0 56.7 50 49 A D E > -d 35 0A 18 -2,-0.5 3,-1.8 -16,-0.2 -14,-0.2 -0.940 18.9-163.6-127.9 109.6 26.4 8.7 56.7 51 50 A V G >> S+ 0 0 0 -16,-2.1 4,-1.7 -2,-0.5 3,-1.3 0.585 84.1 79.1 -68.1 -6.3 24.6 10.0 59.9 52 51 A R G 34 S+ 0 0 58 1,-0.3 -1,-0.3 2,-0.2 -14,-0.1 0.672 77.5 71.4 -73.9 -15.2 21.5 8.0 58.7 53 52 A E G <4 S+ 0 0 172 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.532 108.1 35.4 -74.3 -6.2 23.2 4.8 60.1 54 53 A F T <4 S- 0 0 69 -3,-1.3 2,-0.3 1,-0.5 -2,-0.2 0.749 132.5 -12.1-115.1 -45.3 22.5 6.2 63.5 55 54 A V < - 0 0 2 -4,-1.7 -1,-0.5 23,-0.0 2,-0.3 -0.978 55.5-163.2-153.9 156.1 19.2 8.0 63.3 56 55 A T > - 0 0 25 -2,-0.3 4,-1.7 1,-0.2 -17,-0.2 -0.978 28.3-120.7-139.3 154.2 16.8 9.1 60.6 57 56 A V H >> S+ 0 0 16 -19,-0.5 4,-1.6 -2,-0.3 3,-0.6 0.976 110.0 46.8 -53.5 -62.4 13.9 11.6 60.5 58 57 A E H 3> S+ 0 0 72 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.837 108.8 55.3 -59.0 -37.6 11.1 9.2 59.5 59 58 A E H >4 S+ 0 0 86 1,-0.2 3,-0.5 2,-0.2 -1,-0.3 0.900 110.1 46.7 -58.1 -43.2 12.2 6.5 62.0 60 59 A I H X<>S+ 0 0 0 -4,-1.7 3,-0.8 -3,-0.6 5,-0.7 0.772 104.7 62.6 -68.7 -27.6 11.8 9.1 64.8 61 60 A M H ><5S+ 0 0 70 -4,-1.6 3,-1.7 1,-0.3 -1,-0.2 0.741 87.2 70.6 -71.1 -24.6 8.5 10.1 63.2 62 61 A R T <<5S+ 0 0 216 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.1 0.028 90.1 65.0 -76.5 25.2 7.2 6.6 64.0 63 62 A E T < 5S- 0 0 105 -3,-0.8 -1,-0.3 2,-0.1 -2,-0.2 0.254 130.8 -88.6-123.8 5.4 7.3 7.7 67.6 64 63 A G T < 5S+ 0 0 73 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.506 79.4 145.9 100.3 8.7 4.6 10.4 67.1 65 64 A Y < - 0 0 74 -5,-0.7 -1,-0.3 -7,-0.1 -2,-0.1 -0.574 47.4-126.6 -79.9 138.4 6.9 13.3 66.1 66 65 A G >> - 0 0 41 -2,-0.3 4,-2.6 1,-0.1 3,-1.2 -0.398 36.8-101.0 -70.0 159.7 5.8 15.9 63.6 67 66 A P H 3> S+ 0 0 77 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.914 124.9 45.8 -55.2 -47.6 8.2 16.4 60.7 68 67 A N H 3> S+ 0 0 119 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.636 114.7 51.4 -71.9 -12.8 9.7 19.5 62.2 69 68 A G H <> S+ 0 0 29 -3,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.834 108.7 47.6 -88.5 -39.6 9.9 17.8 65.5 70 69 A A H X S+ 0 0 0 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.767 110.3 53.9 -72.1 -30.3 11.7 14.6 64.2 71 70 A I H >X S+ 0 0 30 -4,-1.9 4,-1.2 -5,-0.3 3,-0.8 0.990 113.9 40.4 -61.6 -62.1 14.2 16.7 62.3 72 71 A V H >X S+ 0 0 74 -4,-1.0 4,-1.6 1,-0.3 3,-0.7 0.911 115.7 52.1 -54.4 -46.8 15.2 18.7 65.4 73 72 A E H 3X S+ 0 0 52 -4,-2.5 4,-1.6 1,-0.2 -1,-0.3 0.799 102.3 60.6 -60.4 -30.1 15.0 15.5 67.5 74 73 A S H < S+ 0 0 77 -4,-1.6 3,-0.6 -5,-0.2 4,-0.3 0.888 109.8 47.2 -57.9 -43.0 19.7 16.1 69.4 77 76 A R H >< S+ 0 0 70 -4,-1.6 3,-1.9 1,-0.2 4,-0.3 0.895 102.2 62.4 -72.0 -35.3 20.3 12.4 69.1 78 77 A L H >< S+ 0 0 0 -4,-1.5 3,-1.9 1,-0.3 -1,-0.2 0.727 86.4 74.8 -60.9 -23.9 23.4 12.9 66.9 79 78 A M G X< S+ 0 0 39 -4,-0.7 3,-2.0 -3,-0.6 4,-0.3 0.799 81.3 70.2 -61.5 -25.4 25.1 14.7 69.7 80 79 A E G < S+ 0 0 156 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.777 108.4 36.6 -57.5 -26.2 25.5 11.3 71.3 81 80 A K G <> S+ 0 0 61 -3,-1.9 4,-2.6 -4,-0.3 5,-0.3 -0.038 83.3 120.5-114.6 30.5 28.0 10.7 68.6 82 81 A F H <> S+ 0 0 22 -3,-2.0 4,-2.5 1,-0.2 5,-0.2 0.975 79.4 38.4 -59.0 -60.9 29.4 14.2 68.4 83 82 A N H > S+ 0 0 101 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.859 115.6 54.8 -61.2 -34.1 33.0 13.4 69.2 84 83 A E H > S+ 0 0 58 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.955 111.7 42.2 -65.2 -49.7 32.9 10.2 67.1 85 84 A Y H X S+ 0 0 9 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.881 113.1 54.6 -65.0 -38.2 31.7 12.0 64.0 86 85 A L H X S+ 0 0 14 -4,-2.5 4,-2.6 -5,-0.3 5,-0.2 0.967 110.7 44.2 -58.7 -49.8 34.1 14.8 64.5 87 86 A N H X S+ 0 0 62 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.919 110.7 54.9 -67.8 -41.1 37.1 12.5 64.7 88 87 A K H X S+ 0 0 64 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.916 110.5 46.5 -49.4 -48.8 36.0 10.5 61.7 89 88 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.923 110.3 51.9 -63.0 -43.8 35.8 13.7 59.7 90 89 A L H X S+ 0 0 48 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.824 111.1 50.4 -62.8 -29.8 39.3 14.9 61.0 91 90 A R H >X S+ 0 0 137 -4,-2.0 4,-1.1 2,-0.2 3,-0.7 0.901 106.9 51.0 -73.3 -47.9 40.5 11.4 59.8 92 91 A L H 3X S+ 0 0 16 -4,-2.4 4,-0.8 1,-0.2 3,-0.3 0.863 104.9 61.0 -51.2 -38.5 39.0 11.7 56.3 93 92 A E H 3< S+ 0 0 34 -4,-2.0 -1,-0.2 1,-0.2 3,-0.2 0.809 105.8 45.1 -63.8 -30.2 40.7 15.1 56.1 94 93 A K H << S+ 0 0 168 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.688 114.8 49.3 -83.9 -20.5 44.1 13.4 56.6 95 94 A E H < S+ 0 0 124 -4,-1.1 2,-0.3 -3,-0.3 -2,-0.2 0.471 112.7 38.5 -99.3 -0.4 43.3 10.6 54.0 96 95 A N < - 0 0 25 -4,-0.8 -65,-0.2 -3,-0.2 3,-0.1 -0.937 65.8-130.7-147.1 158.7 42.0 12.7 51.1 97 96 A D S S+ 0 0 67 -67,-1.6 2,-0.4 -2,-0.3 -66,-0.2 0.721 99.2 30.4 -81.6 -28.1 42.6 16.0 49.2 98 97 A Y E - c 0 31A 0 -68,-2.4 -66,-3.3 -6,-0.1 2,-0.5 -0.998 56.1-173.3-135.6 133.7 38.9 16.9 49.5 99 98 A V E -ac 3 32A 0 -97,-2.5 -95,-2.4 -2,-0.4 2,-0.5 -0.998 18.0-159.7-115.5 122.3 36.2 16.1 52.0 100 99 A L E -ac 4 33A 0 -68,-3.1 -66,-2.3 -2,-0.5 2,-0.6 -0.886 4.1-154.4-107.4 129.4 32.8 17.3 50.8 101 100 A I E -ac 5 34A 1 -97,-2.9 -95,-2.6 -2,-0.5 2,-0.5 -0.897 4.3-161.7-113.4 117.7 30.2 17.8 53.4 102 101 A D E -ac 6 35A 0 -68,-3.4 -66,-2.8 -2,-0.6 -65,-0.3 -0.831 20.3-150.2 -96.6 131.4 26.6 17.6 52.5 103 102 A T - 0 0 1 -97,-0.8 -66,-0.2 -2,-0.5 -88,-0.1 -0.364 27.2 -65.4-103.5 171.1 24.3 19.2 55.1 104 103 A P - 0 0 2 0, 0.0 6,-0.2 0, 0.0 -1,-0.2 -0.233 50.5-111.9 -48.3 135.3 20.8 18.8 56.5 105 104 A G S S+ 0 0 20 -3,-0.1 2,-0.5 1,-0.1 -91,-0.1 0.829 109.9 52.6 -33.3 -49.8 18.0 19.5 54.0 106 105 A Q S >> S- 0 0 76 -97,-0.2 3,-1.1 1,-0.1 4,-0.9 -0.847 78.0-149.4 -95.5 126.2 17.1 22.7 56.0 107 106 A M H 3> S+ 0 0 27 -2,-0.5 4,-2.9 1,-0.3 3,-0.3 0.834 94.3 65.6 -70.0 -22.1 20.0 25.0 56.6 108 107 A E H 3> S+ 0 0 124 1,-0.3 4,-2.2 2,-0.2 5,-0.3 0.797 93.5 60.3 -68.0 -25.1 18.6 26.1 59.9 109 108 A T H <> S+ 0 0 16 -3,-1.1 4,-1.0 1,-0.2 7,-0.4 0.930 113.3 38.2 -61.9 -40.3 19.0 22.7 61.3 110 109 A F H < S+ 0 0 2 -4,-0.9 7,-0.3 -3,-0.3 -2,-0.2 0.885 121.3 43.1 -73.4 -43.5 22.7 23.2 60.5 111 110 A L H < S+ 0 0 8 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.781 123.5 33.2 -80.3 -27.4 22.9 26.9 61.6 112 111 A F H < S+ 0 0 150 -4,-2.2 2,-0.4 -5,-0.2 -1,-0.2 0.526 99.3 84.7-109.2 -10.4 20.8 26.7 64.8 113 112 A H S X S- 0 0 22 -4,-1.0 4,-1.9 -5,-0.3 3,-0.2 -0.785 75.4-129.8 -97.6 144.8 21.6 23.2 66.2 114 113 A E H > S+ 0 0 94 -2,-0.4 4,-2.8 1,-0.2 5,-0.3 0.793 101.3 65.3 -57.5 -35.9 24.6 22.5 68.4 115 114 A F H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.965 109.6 33.9 -52.9 -58.9 25.7 19.5 66.3 116 115 A G H > S+ 0 0 2 -7,-0.4 4,-2.9 -3,-0.2 5,-0.2 0.925 119.3 51.4 -67.7 -47.3 26.5 21.4 63.1 117 116 A V H X S+ 0 0 22 -4,-1.9 4,-1.6 -7,-0.3 -1,-0.2 0.906 115.2 41.2 -56.8 -45.1 27.7 24.5 64.8 118 117 A R H X S+ 0 0 102 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.828 112.3 54.6 -79.4 -30.9 30.1 22.6 67.1 119 118 A L H >< S+ 0 0 0 -4,-2.2 3,-0.9 -5,-0.3 -2,-0.2 0.979 111.6 45.3 -60.7 -53.0 31.2 20.3 64.3 120 119 A M H >< S+ 0 0 3 -4,-2.9 3,-0.9 1,-0.3 -2,-0.2 0.816 109.5 56.0 -59.8 -33.4 32.1 23.4 62.2 121 120 A E H 3< S+ 0 0 132 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.784 109.7 45.1 -71.2 -26.2 33.8 25.1 65.1 122 121 A N T << S+ 0 0 77 -4,-1.2 -1,-0.2 -3,-0.9 -2,-0.2 0.209 94.6 98.5-106.1 13.9 36.2 22.1 65.7 123 122 A L S < S- 0 0 14 -3,-0.9 2,-0.9 -4,-0.2 -37,-0.0 -0.788 84.1-103.2-100.7 148.3 37.1 21.6 62.0 124 123 A P S S- 0 0 48 0, 0.0 -121,-0.2 0, 0.0 -2,-0.1 -0.617 79.0 -50.8 -73.7 99.0 40.3 23.0 60.3 125 124 A Y S S- 0 0 206 -2,-0.9 -122,-0.2 -4,-0.1 34,-0.1 0.742 75.7-165.9 47.5 41.8 39.4 26.1 58.3 126 125 A P - 0 0 3 0, 0.0 2,-0.6 0, 0.0 34,-0.5 -0.138 15.7-128.7 -59.4 150.9 36.5 24.6 56.3 127 126 A L E -b 4 0A 2 -124,-3.2 -122,-3.6 32,-0.1 2,-0.5 -0.916 19.3-154.3-100.4 124.3 35.2 26.4 53.2 128 127 A V E -be 5 161A 0 32,-3.4 34,-3.5 -2,-0.6 2,-0.6 -0.851 3.7-161.6 -95.2 132.8 31.4 26.9 53.2 129 128 A V E -be 6 162A 0 -124,-3.6 -122,-2.6 -2,-0.5 2,-0.6 -0.964 7.0-160.4-112.0 115.5 29.7 27.3 49.9 130 129 A Y E -be 7 163A 8 32,-2.8 34,-3.5 -2,-0.6 2,-0.3 -0.863 11.9-164.7-100.3 116.1 26.2 28.9 50.3 131 130 A I E -be 8 164A 1 -124,-2.5 -122,-0.5 -2,-0.6 2,-0.3 -0.810 6.0-167.8-113.4 142.4 24.1 28.2 47.3 132 131 A S E - e 0 165A 6 32,-2.1 34,-2.1 -2,-0.3 -124,-0.0 -0.932 27.3-118.1-128.2 145.8 20.8 29.9 46.3 133 132 A D > - 0 0 49 -2,-0.3 3,-2.5 32,-0.2 4,-0.2 -0.757 23.7-137.5 -79.8 123.3 18.1 29.1 43.8 134 133 A P G > S+ 0 0 8 0, 0.0 3,-2.9 0, 0.0 -1,-0.1 0.802 98.4 78.8 -53.7 -25.9 18.1 32.1 41.4 135 134 A E G 3 S+ 0 0 121 1,-0.3 -2,-0.0 -3,-0.0 -3,-0.0 0.749 82.8 62.7 -52.7 -27.0 14.3 31.9 41.6 136 135 A I G < S+ 0 0 58 -3,-2.5 2,-1.1 1,-0.1 -1,-0.3 0.636 84.2 96.6 -70.2 -11.5 14.6 33.7 45.0 137 136 A L < + 0 0 4 -3,-2.9 -1,-0.1 -4,-0.2 42,-0.0 -0.664 39.3 118.1 -94.2 94.5 16.0 36.6 43.0 138 137 A K + 0 0 123 -2,-1.1 -1,-0.2 1,-0.4 -2,-0.1 0.720 64.5 36.9-113.1 -77.2 13.3 39.2 42.2 139 138 A K S >> S- 0 0 86 1,-0.1 3,-2.0 4,-0.0 4,-0.7 -0.522 88.0-103.1 -83.8 151.1 13.9 42.7 43.7 140 139 A P H 3> S+ 0 0 22 0, 0.0 4,-1.1 0, 0.0 3,-0.5 0.736 118.8 59.5 -34.8 -42.0 17.3 44.4 44.1 141 140 A N H 3> S+ 0 0 41 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.784 89.9 69.6 -74.6 -25.0 17.4 43.7 47.8 142 141 A D H <> S+ 0 0 26 -3,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.932 99.6 50.9 -47.1 -48.9 17.2 39.9 47.2 143 142 A Y H X S+ 0 0 1 -4,-0.7 4,-1.6 -3,-0.5 -1,-0.2 0.907 111.5 45.7 -58.7 -42.7 20.7 40.4 45.8 144 143 A C H X S+ 0 0 5 -4,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.849 110.2 56.7 -66.3 -35.0 21.7 42.2 49.0 145 144 A F H X S+ 0 0 104 -4,-2.9 4,-3.2 2,-0.2 3,-0.3 0.973 103.9 51.3 -60.5 -57.0 20.0 39.5 51.0 146 145 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.914 112.6 45.7 -42.5 -57.0 22.0 36.7 49.4 147 146 A R H X S+ 0 0 54 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.775 115.0 46.9 -66.3 -30.9 25.4 38.4 50.2 148 147 A F H X S+ 0 0 43 -4,-1.8 4,-2.3 -3,-0.3 -1,-0.2 0.873 106.5 57.0 -80.3 -33.3 24.4 39.2 53.7 149 148 A F H X S+ 0 0 39 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.942 106.7 50.8 -58.8 -42.6 23.1 35.8 54.4 150 149 A A H X S+ 0 0 5 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.887 108.6 51.5 -58.7 -41.9 26.6 34.4 53.5 151 150 A L H X S+ 0 0 81 -4,-1.2 4,-2.9 2,-0.2 -1,-0.2 0.913 111.3 48.3 -60.4 -43.5 28.2 36.9 55.9 152 151 A L H X S+ 0 0 88 -4,-2.3 4,-3.7 2,-0.3 -2,-0.2 0.897 110.2 48.8 -65.4 -45.5 25.8 35.7 58.6 153 152 A I H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.4 0.933 112.8 51.3 -57.0 -45.2 26.5 32.0 57.9 154 153 A D H X>S+ 0 0 58 -4,-2.6 4,-1.7 -5,-0.2 5,-0.6 0.933 112.6 44.4 -56.9 -49.5 30.1 33.1 58.1 155 154 A L H <5S+ 0 0 137 -4,-2.9 -2,-0.2 1,-0.2 3,-0.2 0.990 117.7 45.0 -57.0 -57.8 29.5 34.8 61.4 156 155 A R H <5S+ 0 0 113 -4,-3.7 -2,-0.2 1,-0.2 -1,-0.2 0.787 123.7 31.0 -60.0 -38.6 27.5 31.9 62.8 157 156 A L H <5S- 0 0 7 -4,-3.1 -1,-0.2 2,-0.2 -3,-0.2 0.582 96.6-130.7 -99.4 -13.1 29.8 29.0 61.7 158 157 A G T <5 + 0 0 64 -4,-1.7 2,-0.3 -5,-0.4 -3,-0.2 0.944 69.5 113.2 61.0 46.6 33.1 30.8 61.9 159 158 A A S + 0 0 61 -2,-0.2 3,-2.1 1,-0.1 4,-0.3 0.773 62.7 153.3 57.0 29.8 21.1 25.6 38.6 168 167 A V G > + 0 0 2 55,-1.9 3,-1.2 1,-0.3 56,-0.2 0.720 60.3 75.1 -63.5 -14.9 22.3 28.4 36.5 169 168 A D G 3 S+ 0 0 51 1,-0.2 -1,-0.3 54,-0.2 55,-0.1 0.703 87.8 60.1 -65.1 -22.1 21.7 26.1 33.5 170 169 A L G < S+ 0 0 131 -3,-2.1 -1,-0.2 2,-0.1 2,-0.2 0.631 88.1 98.3 -78.7 -15.1 18.0 26.8 33.9 171 170 A L S < S- 0 0 28 -3,-1.2 2,-0.1 -4,-0.3 -4,-0.0 -0.492 73.6-129.1 -79.7 139.0 18.5 30.5 33.3 172 171 A S > - 0 0 37 -2,-0.2 4,-3.5 1,-0.1 5,-0.1 -0.446 32.5-109.1 -71.3 160.5 18.0 32.2 30.0 173 172 A E H > S+ 0 0 117 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.808 120.9 58.7 -66.2 -30.0 21.0 34.3 29.0 174 173 A E H > S+ 0 0 158 2,-0.2 4,-2.6 3,-0.1 -1,-0.2 0.990 112.8 38.1 -52.9 -62.0 18.8 37.5 29.6 175 174 A E H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.936 112.6 59.2 -57.8 -50.4 18.4 36.3 33.3 176 175 A K H >X S+ 0 0 18 -4,-3.5 4,-1.5 1,-0.2 3,-0.6 0.938 113.3 36.6 -37.8 -64.8 22.0 35.1 33.4 177 176 A E H 3X S+ 0 0 80 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.829 110.1 62.4 -63.4 -36.4 23.3 38.6 32.6 178 177 A R H 3X S+ 0 0 108 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.850 107.7 44.0 -58.8 -36.3 20.7 40.4 34.6 179 178 A H H - 0 0 80 -4,-0.4 4,-1.0 -5,-0.3 -1,-0.1 -0.374 63.7-172.5 -60.6 117.1 28.8 45.7 39.4 186 185 A I H >> S+ 0 0 66 -2,-0.2 4,-2.3 2,-0.2 3,-0.5 0.952 83.3 54.6 -74.2 -56.2 28.3 47.1 42.9 187 186 A D H 3> S+ 0 0 123 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.690 105.0 62.1 -54.8 -15.6 27.5 50.7 42.1 188 187 A Y H 3> S+ 0 0 77 -7,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.939 105.8 38.7 -76.8 -52.6 24.8 49.2 39.9 189 188 A L H X S+ 0 0 52 -4,-1.2 4,-1.3 -5,-0.3 3,-0.6 0.913 109.4 48.4 -63.3 -44.5 21.9 52.8 42.1 192 191 A R H 3< S+ 0 0 115 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.648 108.9 54.4 -75.0 -16.4 18.7 50.6 41.9 193 192 A L H >< S+ 0 0 2 -4,-1.4 3,-0.6 -5,-0.1 -1,-0.3 0.652 100.9 62.7 -85.4 -21.2 18.5 50.7 45.7 194 193 A K H << S+ 0 0 143 -4,-0.8 2,-1.8 -3,-0.6 -2,-0.2 0.954 93.4 58.4 -67.2 -53.0 18.7 54.5 45.5 195 194 A L T 3< S+ 0 0 103 -4,-1.3 -1,-0.2 1,-0.1 -3,-0.1 -0.049 81.2 110.6 -74.6 40.2 15.4 55.0 43.6 196 195 A D < + 0 0 41 -2,-1.8 6,-0.1 -3,-0.6 9,-0.1 -0.884 37.5 172.8-119.6 97.4 13.6 53.2 46.4 197 196 A P + 0 0 132 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.742 52.6 97.3 -74.5 -27.2 11.3 55.6 48.3 198 197 A S S > S- 0 0 62 2,-0.2 4,-0.8 1,-0.1 5,-0.2 0.032 90.7-102.3 -59.9 168.0 9.8 52.8 50.4 199 198 A M H > S+ 0 0 109 2,-0.1 4,-1.6 3,-0.1 3,-0.5 0.981 110.5 48.5 -57.6 -64.1 10.8 51.8 53.9 200 199 A Q H 4 S+g 203 0B 114 1,-0.2 -2,-0.2 2,-0.2 4,-0.1 -0.686 103.8 47.8 -81.9 130.6 12.8 48.7 52.8 201 200 A G H > S+g 204 0B 0 2,-1.3 4,-1.2 -2,-0.4 -1,-0.2 -0.401 109.2 53.9 129.1 -54.6 15.2 49.5 50.0 202 201 A L H >X S+ 0 0 90 -4,-0.8 4,-2.7 -3,-0.5 2,-1.3 0.931 104.4 63.4 -61.2 -51.3 16.6 52.6 51.6 203 202 A M H 3< S+g 200 0B 98 -4,-1.6 -2,-1.3 1,-0.2 -1,-0.2 -0.661 110.0 33.1 -70.5 96.3 17.1 50.0 54.3 204 203 A A H 3> S+g 201 0B 5 -2,-1.3 4,-1.7 -4,-0.1 5,-0.3 -0.258 112.3 62.5 138.6 -44.0 19.5 48.0 52.1 205 204 A Y H 4 S+ 0 0 90 -5,-0.4 3,-1.6 2,-0.1 -2,-0.2 0.955 117.2 28.2 -72.1 -85.6 23.2 48.7 54.4 208 207 A C H >< S+ 0 0 11 -4,-1.7 3,-1.7 1,-0.3 -2,-0.2 0.618 100.4 90.7 -52.0 -17.7 25.3 47.4 51.5 209 208 A S T 3< + 0 0 37 -4,-1.8 -1,-0.3 -5,-0.3 3,-0.3 0.561 64.7 82.2 -61.5 -9.8 26.4 51.1 50.9 210 209 A M T X + 0 0 51 -3,-1.6 2,-6.4 1,-0.2 3,-0.7 0.859 51.8 154.7 -63.6 -36.5 29.4 50.4 53.2 211 210 A M T <> + 0 0 108 -3,-1.7 4,-0.8 1,-0.3 -1,-0.2 0.080 70.0 58.9 36.1 -48.2 31.3 48.8 50.3 212 211 A T T 34 S+ 0 0 101 -2,-6.4 -1,-0.3 -3,-0.3 -2,-0.1 0.974 111.6 38.4 -63.5 -56.0 34.5 49.8 52.2 213 212 A E T <4 S+ 0 0 152 -3,-0.7 -2,-0.1 1,-0.1 -1,-0.1 0.993 105.1 64.2 -56.6 -76.8 33.6 47.8 55.3 214 213 A V T 4 S- 0 0 50 1,-0.1 -1,-0.1 -6,-0.1 -2,-0.1 0.658 111.3 -95.9 -14.8 -80.7 32.0 44.7 53.8 215 214 A L < - 0 0 88 -4,-0.8 -1,-0.1 1,-0.1 -2,-0.1 -0.051 19.0-115.8 144.7 107.2 35.1 43.3 52.1 216 215 A P S S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.714 95.7 53.1 -24.5 -67.9 36.2 43.8 48.4 217 216 A P + 0 0 78 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 0.577 50.1 109.8 -54.1-145.1 36.0 40.0 47.4 218 217 A V + 0 0 63 1,-0.2 2,-0.1 2,-0.0 3,-0.0 0.852 46.3 179.4 60.2 40.2 33.0 37.7 47.8 219 218 A R - 0 0 144 1,-0.1 2,-0.3 -57,-0.0 -1,-0.2 -0.492 33.2-111.5 -56.2 139.2 32.5 37.6 44.1 220 219 A V - 0 0 0 -2,-0.1 2,-0.3 -37,-0.1 -56,-0.2 -0.623 25.0-132.2 -85.1 137.6 29.5 35.3 43.6 221 220 A L E -f 164 0A 6 -58,-2.4 -56,-2.9 -2,-0.3 2,-0.6 -0.689 5.6-149.9 -92.1 144.0 29.9 31.9 42.0 222 221 A Y E +f 165 0A 18 -2,-0.3 2,-0.3 -58,-0.2 -56,-0.2 -0.940 28.5 175.1-109.5 109.1 27.6 30.6 39.3 223 222 A L - 0 0 1 -58,-2.9 -55,-1.9 -2,-0.6 2,-0.3 -0.828 19.0-176.0-116.4 157.0 27.4 26.8 39.5 224 223 A S > - 0 0 0 5,-1.8 4,-1.3 -2,-0.3 5,-0.4 -0.895 16.6-161.8-148.2 124.3 25.5 24.1 37.8 225 224 A A T 4 S+ 0 0 15 -2,-0.3 -1,-0.1 1,-0.2 -212,-0.0 0.692 95.0 56.1 -71.1 -18.7 25.6 20.4 38.7 226 225 A K T 4 S+ 0 0 168 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.927 123.4 18.6 -80.0 -47.0 24.1 19.7 35.2 227 226 A T T 4 S- 0 0 82 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.419 99.9-122.4-102.0 -3.8 26.7 21.4 33.0 228 227 A R >< + 0 0 69 -4,-1.3 3,-1.4 1,-0.2 4,-0.4 0.678 50.9 170.1 61.7 20.5 29.5 21.5 35.6 229 228 A E T 3 + 0 0 79 -5,-0.4 -5,-1.8 1,-0.2 -1,-0.2 -0.340 60.5 13.9 -55.5 137.5 29.5 25.2 35.1 230 229 A G T 3> S+ 0 0 6 -7,-0.2 4,-2.2 -3,-0.1 3,-0.4 0.195 86.9 117.3 88.8 -18.7 31.6 27.0 37.7 231 230 A F H <> S+ 0 0 1 -3,-1.4 4,-3.6 1,-0.3 5,-0.2 0.865 75.7 51.5 -51.0 -44.4 33.4 24.0 39.1 232 231 A E H > S+ 0 0 107 -4,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.874 109.6 51.1 -63.3 -37.4 36.8 25.2 38.0 233 232 A D H > S+ 0 0 77 -3,-0.4 4,-2.9 2,-0.2 -2,-0.2 0.916 113.8 44.3 -62.6 -43.1 36.1 28.5 39.8 234 233 A L H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.951 112.0 51.3 -64.1 -51.2 35.1 26.6 43.0 235 234 A E H X S+ 0 0 45 -4,-3.6 4,-1.7 1,-0.2 5,-0.2 0.921 113.6 47.5 -50.9 -43.7 38.0 24.3 42.7 236 235 A T H X S+ 0 0 66 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.923 109.4 50.5 -65.9 -49.8 40.2 27.5 42.4 237 236 A L H X S+ 0 0 48 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.804 109.5 54.0 -57.6 -30.1 38.6 29.3 45.3 238 237 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.879 109.8 42.6 -78.7 -41.9 39.1 26.3 47.5 239 238 A Y H X S+ 0 0 139 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.899 114.4 54.4 -68.0 -38.4 42.9 25.9 46.9 240 239 A E H < S+ 0 0 109 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.796 109.3 46.6 -61.7 -30.6 43.1 29.7 47.3 241 240 A H H < S+ 0 0 53 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.812 108.2 55.8 -80.0 -33.8 41.4 29.4 50.6 242 241 A Y H < 0 0 138 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.652 360.0 360.0 -67.9 -17.5 43.7 26.6 51.6 243 242 A C < 0 0 110 -4,-0.8 -1,-0.1 -5,-0.1 -4,-0.0 -0.691 360.0 360.0 -83.3 360.0 46.6 28.9 50.9