==== 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 1YR8 . COMPND 2 MOLECULE: ATP(GTP)BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS ABYSSI; . AUTHOR S.GRAS,P.CARPENTIER,J.ARMENGAUD,D.HOUSSET . 246 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12771.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 11.8 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 . 2 0.8 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 . 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 . 21 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 37.8 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 2 1 0 1 0 0 0 0 5 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 . 0 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 1 499 A A 0 0 70 0, 0.0 97,-0.2 0, 0.0 94,-0.1 0.000 360.0 360.0 360.0 -51.2 8.8 48.4 31.7 2 500 A S + 0 0 22 95,-0.8 2,-0.2 92,-0.3 96,-0.2 0.643 360.0 143.8 25.7 120.7 6.6 46.6 34.2 3 1 A M - 0 0 25 91,-0.3 97,-2.3 94,-0.1 2,-0.4 -0.689 28.4-152.0 175.0 125.9 3.0 45.5 33.3 4 2 A I E -a 100 0A 7 121,-0.3 124,-2.3 95,-0.2 2,-0.5 -0.918 6.1-170.5-117.8 137.9 1.0 42.4 34.2 5 3 A V E -ab 101 128A 1 95,-2.3 97,-3.4 -2,-0.4 2,-0.6 -0.984 8.8-159.0-128.2 118.9 -1.8 40.7 32.3 6 4 A V E -ab 102 129A 0 122,-3.9 124,-3.2 -2,-0.5 2,-0.7 -0.885 6.0-151.2-104.3 120.6 -3.9 38.0 34.0 7 5 A F E +ab 103 130A 0 95,-3.2 97,-1.4 -2,-0.6 2,-0.4 -0.833 19.2 178.4 -92.2 114.9 -5.8 35.5 31.7 8 6 A V E + b 0 131A 1 122,-3.3 124,-2.4 -2,-0.7 2,-0.3 -0.919 17.8 127.7-116.6 143.6 -8.9 34.2 33.4 9 7 A G E - b 0 132A 0 -2,-0.4 2,-0.2 96,-0.4 99,-0.2 -0.871 50.9 -91.4 172.1 154.0 -11.3 31.8 31.7 10 8 A T > - 0 0 66 122,-0.5 3,-0.9 -2,-0.3 97,-0.2 -0.558 59.2 -67.0 -90.2 145.5 -13.0 28.5 32.3 11 9 A A T 3 S+ 0 0 61 95,-2.0 -1,-0.2 1,-0.3 96,-0.0 0.109 125.2 24.2 -18.7 107.0 -11.9 24.9 31.4 12 10 A G T 3 S+ 0 0 56 -3,-0.1 -1,-0.3 121,-0.0 -2,-0.1 0.599 84.1 112.3 98.9 15.2 -12.0 24.8 27.6 13 11 A S S < S- 0 0 2 -3,-0.9 -2,-0.1 93,-0.1 154,-0.1 0.529 78.3-126.5 -91.6 -9.8 -11.6 28.6 26.8 14 12 A G > + 0 0 23 -4,-0.1 4,-1.2 1,-0.1 212,-0.2 0.841 61.7 140.8 69.7 36.0 -8.2 28.1 25.2 15 13 A K H > + 0 0 11 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.639 65.5 58.2 -89.3 -14.3 -6.5 30.7 27.3 16 14 A T H > S+ 0 0 23 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.867 109.6 45.9 -77.3 -38.8 -3.2 28.8 27.9 17 15 A T H > S+ 0 0 84 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.849 115.2 48.7 -65.3 -37.0 -2.9 28.7 24.1 18 16 A L H X S+ 0 0 1 -4,-1.2 4,-3.8 2,-0.2 5,-0.4 0.950 108.7 51.2 -65.8 -52.2 -3.8 32.4 24.0 19 17 A T H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.918 114.0 46.9 -52.6 -45.3 -1.3 33.3 26.8 20 18 A G H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 3,-0.3 0.974 117.2 40.0 -59.9 -57.8 1.4 31.5 24.8 21 19 A E H X S+ 0 0 51 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.899 112.4 53.8 -65.0 -42.3 0.6 33.1 21.4 22 20 A F H X S+ 0 0 0 -4,-3.8 4,-2.0 1,-0.2 -1,-0.2 0.862 105.5 58.2 -62.2 -29.7 -0.1 36.6 22.7 23 21 A G H X S+ 0 0 0 -4,-1.4 4,-3.2 -5,-0.4 -2,-0.2 0.968 106.6 44.3 -62.3 -54.3 3.4 36.4 24.4 24 22 A R H < S+ 0 0 64 -4,-1.6 4,-0.5 2,-0.3 -2,-0.2 0.913 109.5 57.6 -58.3 -42.2 5.3 35.7 21.1 25 23 A Y H >< S+ 0 0 45 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.930 116.0 36.4 -51.1 -44.2 3.2 38.5 19.5 26 24 A L H >X S+ 0 0 1 -4,-2.0 3,-2.0 1,-0.2 4,-0.6 0.837 99.0 79.6 -73.3 -34.5 4.6 40.7 22.3 27 25 A E T 3< S+ 0 0 78 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.553 84.8 66.4 -56.2 -5.9 8.1 39.0 22.3 28 26 A D T <4 S+ 0 0 125 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.1 0.768 119.3 13.2 -86.8 -32.3 8.9 41.2 19.2 29 27 A N T <4 S+ 0 0 135 -3,-2.0 2,-0.3 -4,-0.2 -2,-0.2 0.045 127.4 47.1-128.6 25.1 8.9 44.6 20.8 30 28 A Y S < S- 0 0 72 -4,-0.6 2,-0.4 2,-0.0 -1,-0.1 -0.988 75.5-114.2-165.4 148.5 8.9 43.7 24.4 31 29 A K - 0 0 119 -2,-0.3 68,-2.0 -3,-0.1 67,-1.6 -0.841 43.5-164.6 -90.4 136.7 10.5 41.5 27.1 32 30 A V E -c 99 0A 20 -2,-0.4 2,-0.3 66,-0.2 68,-0.2 -0.976 17.0-163.9-137.0 136.9 8.0 39.0 28.4 33 31 A A E -c 100 0A 1 66,-2.7 68,-3.6 -2,-0.4 2,-0.4 -0.927 12.2-146.5-120.5 147.0 7.6 36.6 31.4 34 32 A Y E -c 101 0A 2 13,-0.4 15,-2.5 -2,-0.3 16,-1.5 -0.935 9.9-169.4-120.2 130.5 5.2 33.7 31.8 35 33 A V E -cd 102 50A 1 66,-2.6 68,-3.1 -2,-0.4 2,-0.6 -0.980 4.4-162.2-122.8 117.8 3.6 32.7 35.1 36 34 A N E +cd 103 51A 0 14,-3.5 16,-2.0 -2,-0.5 17,-0.2 -0.908 17.4 167.6-102.2 119.2 1.7 29.4 35.4 37 35 A L + 0 0 1 66,-3.0 2,-0.5 -2,-0.6 67,-0.2 0.389 45.2 106.7-105.1 1.1 -0.6 29.1 38.4 38 36 A D - 0 0 23 65,-0.4 3,-0.3 66,-0.2 15,-0.2 -0.713 46.6-169.7 -87.8 120.8 -2.5 26.0 37.3 39 37 A T S S+ 0 0 0 -2,-0.5 19,-1.9 1,-0.2 20,-0.3 0.594 82.7 44.3 -86.2 -7.8 -1.6 22.8 39.2 40 38 A G S S+ 0 0 28 17,-0.2 2,-0.3 18,-0.1 -1,-0.2 0.411 77.5 112.4-120.2 -0.7 -3.5 20.4 36.9 41 39 A V - 0 0 33 -3,-0.3 3,-0.1 1,-0.1 17,-0.0 -0.617 53.3-152.2 -75.1 131.3 -2.7 21.5 33.4 42 40 A K + 0 0 147 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 0.966 67.5 9.9 -64.7 -90.7 -0.5 18.8 31.6 43 41 A E - 0 0 159 2,-0.0 -1,-0.1 0, 0.0 0, 0.0 -0.494 65.2-151.4 -92.3 163.1 1.6 20.6 29.0 44 42 A L - 0 0 29 -2,-0.2 -27,-0.1 2,-0.1 -8,-0.0 -0.988 14.2-141.2-135.6 140.4 2.1 24.3 28.4 45 43 A P S S+ 0 0 59 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.158 80.5 52.9 -92.4 19.8 2.9 26.0 25.1 46 44 A Y S S- 0 0 17 -23,-0.0 -2,-0.1 -12,-0.0 -26,-0.1 -0.877 89.5 -94.8-140.8 177.5 5.4 28.5 26.6 47 45 A E - 0 0 104 -2,-0.3 -13,-0.4 -27,-0.1 2,-0.4 -0.854 42.9-144.0 -98.6 108.4 8.5 28.8 28.8 48 46 A P - 0 0 51 0, 0.0 3,-0.2 0, 0.0 -13,-0.2 -0.590 22.8-172.3 -83.4 127.6 7.4 29.4 32.4 49 47 A S S S+ 0 0 64 -15,-2.5 2,-0.4 -2,-0.4 -14,-0.2 0.845 92.1 26.3 -71.8 -39.7 9.4 31.7 34.8 50 48 A I E +d 35 0A 7 -16,-1.5 -14,-3.5 -3,-0.1 2,-0.4 -0.996 69.8 170.8-128.9 126.4 7.1 30.5 37.5 51 49 A D E > -d 36 0A 20 -2,-0.4 3,-1.6 -16,-0.2 4,-0.4 -0.906 19.0-161.2-139.4 103.9 5.4 27.1 37.3 52 50 A V T 3> S+ 0 0 0 -16,-2.0 4,-1.9 -2,-0.4 3,-0.2 0.547 83.2 77.8 -66.2 -9.8 3.6 26.0 40.5 53 51 A R T 34 S+ 0 0 58 1,-0.2 -1,-0.3 2,-0.2 -14,-0.1 0.760 81.8 67.5 -73.2 -25.0 3.6 22.3 39.3 54 52 A E T <4 S+ 0 0 162 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.941 110.1 35.9 -52.4 -46.4 7.2 22.1 40.4 55 53 A F T 4 S- 0 0 69 -4,-0.4 2,-0.3 1,-0.3 -2,-0.2 0.818 137.1 -9.9 -81.7 -33.3 5.9 22.5 43.9 56 54 A V < - 0 0 13 -4,-1.9 2,-0.3 4,-0.0 -1,-0.3 -0.892 54.3-163.4-169.2 138.2 2.7 20.5 43.6 57 55 A T > - 0 0 29 -2,-0.3 4,-1.2 -3,-0.1 -17,-0.2 -0.914 32.5-120.2-121.2 151.5 0.5 18.9 40.9 58 56 A V H > S+ 0 0 11 -19,-1.9 4,-1.5 -2,-0.3 -18,-0.1 0.821 111.7 53.1 -56.4 -33.6 -3.1 17.7 41.2 59 57 A E H > S+ 0 0 83 -20,-0.3 4,-3.8 2,-0.2 -1,-0.2 0.938 100.2 56.4 -72.9 -50.8 -2.0 14.1 40.3 60 58 A E H 4 S+ 0 0 126 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.861 111.5 48.7 -41.5 -40.1 0.7 13.6 43.0 61 59 A I H ><>S+ 0 0 0 -4,-1.2 5,-0.9 1,-0.2 3,-0.9 0.868 108.9 49.3 -75.3 -38.8 -2.1 14.5 45.4 62 60 A M H ><5S+ 0 0 71 -4,-1.5 3,-2.8 1,-0.3 2,-0.6 0.920 99.8 67.2 -65.1 -43.3 -4.5 12.0 43.9 63 61 A R T 3<5S+ 0 0 213 -4,-3.8 -1,-0.3 1,-0.3 -2,-0.1 0.125 101.0 53.1 -60.5 23.5 -1.7 9.5 44.1 64 62 A E T < 5S- 0 0 107 -3,-0.9 -1,-0.3 -2,-0.6 -2,-0.2 0.316 130.7 -82.8-141.7 1.4 -2.3 10.0 47.8 65 63 A G T < 5S+ 0 0 71 -3,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.518 76.2 139.0 119.4 9.7 -6.1 9.3 48.1 66 64 A Y < - 0 0 82 -5,-0.9 -1,-0.3 -4,-0.1 -2,-0.1 -0.672 53.3-120.4 -90.4 136.5 -8.0 12.5 47.2 67 65 A G >> - 0 0 44 -2,-0.3 3,-1.7 1,-0.1 4,-1.0 -0.508 40.2-106.5 -63.9 141.6 -11.1 12.7 45.1 68 66 A P H >> S+ 0 0 74 0, 0.0 4,-1.1 0, 0.0 3,-0.8 0.792 121.0 48.7 -47.2 -46.6 -10.4 14.9 42.0 69 67 A N H 3> S+ 0 0 141 1,-0.2 4,-1.2 2,-0.2 3,-0.2 0.840 113.0 49.6 -62.3 -33.6 -12.4 17.8 43.3 70 68 A G H <> S+ 0 0 32 -3,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.605 105.0 57.9 -80.7 -12.9 -10.6 17.5 46.7 71 69 A A H < S+ 0 0 52 -4,-1.4 3,-0.8 1,-0.2 4,-0.3 0.810 105.5 60.5 -74.1 -31.1 -0.3 23.8 49.9 79 77 A L H >< S+ 0 0 0 -4,-1.5 3,-3.0 1,-0.2 -1,-0.2 0.906 92.9 65.8 -58.1 -43.9 0.6 26.5 47.5 80 78 A M G >< S+ 0 0 34 -4,-1.4 3,-1.6 1,-0.3 4,-0.3 0.722 87.6 69.3 -55.4 -23.9 -0.3 29.1 50.1 81 79 A E G < S+ 0 0 148 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.749 107.2 38.2 -64.8 -24.9 2.6 27.8 52.2 82 80 A K G <> S+ 0 0 63 -3,-3.0 4,-2.7 -4,-0.3 -1,-0.3 -0.025 85.9 121.7-108.5 23.7 4.8 29.4 49.5 83 81 A F H <> S+ 0 0 21 -3,-1.6 4,-2.3 1,-0.2 5,-0.2 0.951 75.0 41.7 -50.0 -60.2 2.5 32.4 49.2 84 82 A N H > S+ 0 0 103 -4,-0.3 4,-2.5 1,-0.2 5,-0.2 0.891 113.4 54.2 -61.6 -40.3 5.0 35.1 50.1 85 83 A E H > S+ 0 0 80 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.965 109.8 46.1 -55.5 -53.1 7.7 33.4 48.0 86 84 A Y H X S+ 0 0 9 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.883 111.0 53.7 -63.3 -37.1 5.4 33.4 44.9 87 85 A L H X S+ 0 0 15 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.958 112.4 43.0 -58.0 -52.3 4.4 37.0 45.4 88 86 A N H X S+ 0 0 77 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.862 110.5 56.0 -69.5 -32.9 8.0 38.2 45.6 89 87 A K H >X S+ 0 0 84 -4,-2.9 4,-1.9 -5,-0.2 3,-0.7 0.975 111.0 45.2 -56.8 -49.9 8.9 36.0 42.6 90 88 A I H 3X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.830 109.0 55.3 -62.2 -35.9 6.2 37.7 40.6 91 89 A L H 3X S+ 0 0 47 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.775 106.9 51.2 -69.9 -27.9 7.2 41.2 41.8 92 90 A R H X< S+ 0 0 161 -4,-1.4 3,-0.7 -3,-0.7 4,-0.2 0.939 110.7 47.2 -72.9 -51.5 10.7 40.7 40.6 93 91 A L H >X S+ 0 0 22 -4,-1.9 3,-1.9 1,-0.2 4,-0.5 0.893 101.2 68.7 -52.4 -44.5 9.6 39.6 37.2 94 92 A E H 3< S+ 0 0 19 -4,-2.2 3,-0.4 1,-0.3 -91,-0.3 0.855 110.2 31.5 -50.3 -41.2 7.2 42.6 37.0 95 93 A K T << S+ 0 0 123 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.164 110.7 63.7-111.0 18.8 10.1 45.1 36.8 96 94 A E T <4 S+ 0 0 88 -3,-1.9 2,-0.3 -4,-0.2 -1,-0.2 0.220 112.1 42.2-102.2 5.5 12.6 42.9 35.0 97 95 A N < - 0 0 11 -4,-0.5 -95,-0.8 -3,-0.4 -65,-0.2 -0.954 67.7-133.5-148.2 165.3 10.0 43.0 32.1 98 96 A D S S+ 0 0 44 -67,-1.6 2,-0.4 1,-0.3 -66,-0.2 0.894 100.1 19.6 -77.9 -47.9 7.6 44.8 30.0 99 97 A Y E - c 0 32A 1 -68,-2.0 -66,-2.7 -97,-0.1 2,-0.5 -0.993 54.0-170.9-132.0 128.6 4.9 42.1 30.4 100 98 A V E -ac 4 33A 0 -97,-2.3 -95,-2.3 -2,-0.4 2,-0.5 -0.994 21.1-157.2-106.8 116.1 4.4 39.4 32.9 101 99 A L E -ac 5 34A 0 -68,-3.6 -66,-2.6 -2,-0.5 2,-0.6 -0.842 5.4-155.3 -93.4 126.9 1.6 37.2 31.5 102 100 A I E -ac 6 35A 1 -97,-3.4 -95,-3.2 -2,-0.5 2,-0.6 -0.922 7.4-160.8-113.8 124.1 -0.2 35.2 34.1 103 101 A D E -ac 7 36A 0 -68,-3.1 -66,-3.0 -2,-0.6 -65,-0.4 -0.865 19.7-157.1 -98.5 113.1 -2.1 32.0 33.4 104 102 A T - 0 0 0 -97,-1.4 -66,-0.2 -2,-0.6 4,-0.1 -0.297 33.4 -63.0 -90.0 169.8 -4.6 31.2 36.2 105 103 A P - 0 0 1 0, 0.0 -96,-0.4 0, 0.0 -1,-0.2 -0.181 38.4-130.8 -51.3 143.3 -6.2 27.9 37.3 106 104 A G S S+ 0 0 12 1,-0.2 -95,-2.0 -96,-0.1 2,-1.7 0.831 104.0 69.2 -68.4 -34.6 -8.4 26.1 34.7 107 105 A Q S > S- 0 0 92 1,-0.2 3,-2.4 -97,-0.2 4,-0.3 -0.687 82.0-159.6 -80.1 83.8 -11.1 25.8 37.4 108 106 A M T >> S+ 0 0 23 -2,-1.7 4,-1.4 1,-0.3 3,-1.1 0.709 83.5 66.0 -33.4 -31.4 -11.7 29.5 37.4 109 107 A E H 3>>S+ 0 0 114 1,-0.3 4,-3.5 2,-0.2 5,-0.6 0.793 87.3 62.8 -76.1 -30.0 -13.2 29.1 40.9 110 108 A T H <45S+ 0 0 15 -3,-2.4 7,-0.5 3,-0.2 -1,-0.3 0.312 110.8 45.4 -70.7 8.6 -10.0 28.1 42.6 111 109 A F H <45S+ 0 0 2 -3,-1.1 -2,-0.2 -4,-0.3 -1,-0.2 0.593 118.4 38.9-113.1 -32.2 -9.0 31.6 41.5 112 110 A L H <5S+ 0 0 13 -4,-1.4 -2,-0.2 5,-0.1 -3,-0.2 0.797 130.6 26.4 -81.9 -31.2 -12.1 33.3 42.6 113 111 A F T <5S+ 0 0 144 -4,-3.5 -3,-0.2 -5,-0.1 -4,-0.1 0.811 98.4 81.9-110.8 -35.0 -12.6 31.4 45.8 114 112 A H S > S+ 0 0 94 2,-0.2 4,-2.8 3,-0.2 5,-0.4 0.843 102.7 60.5 -72.0 -37.2 -7.1 32.3 49.3 116 114 A F H > S+ 0 0 1 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.982 108.8 38.3 -56.6 -69.0 -4.0 32.0 47.1 117 115 A G H > S+ 0 0 1 -7,-0.5 4,-2.5 1,-0.2 5,-0.2 0.918 120.5 47.5 -45.1 -54.1 -5.4 33.3 43.8 118 116 A V H X S+ 0 0 11 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.864 116.9 39.4 -63.3 -43.3 -7.4 36.0 45.6 119 117 A R H < S+ 0 0 100 -4,-2.8 4,-0.4 2,-0.2 -1,-0.2 0.889 113.9 55.2 -77.0 -37.9 -4.7 37.3 47.9 120 118 A L H >< S+ 0 0 2 -4,-3.0 3,-1.5 -5,-0.4 -2,-0.2 0.955 110.6 46.0 -52.6 -55.0 -2.0 37.0 45.3 121 119 A M H >< S+ 0 0 3 -4,-2.5 3,-1.4 -5,-0.3 -1,-0.2 0.863 108.1 54.5 -58.9 -42.4 -4.0 39.2 42.9 122 120 A E T 3< S+ 0 0 119 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.437 106.6 53.9 -82.1 6.6 -4.9 41.8 45.4 123 121 A N T < S+ 0 0 84 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.185 89.0 95.9-115.9 11.3 -1.2 42.3 46.3 124 122 A L S < S- 0 0 13 -3,-1.4 2,-0.8 -5,-0.1 -37,-0.0 -0.784 88.1 -98.9 -99.3 149.2 -0.1 43.0 42.6 125 123 A P S S- 0 0 63 0, 0.0 -121,-0.3 0, 0.0 -2,-0.1 -0.565 82.3 -48.2 -71.6 104.3 0.3 46.5 41.2 126 124 A Y S S- 0 0 178 -2,-0.8 -122,-0.2 1,-0.1 34,-0.1 0.806 78.3-163.2 38.3 59.8 -2.8 47.3 39.2 127 125 A P - 0 0 5 0, 0.0 2,-0.5 0, 0.0 34,-0.4 -0.333 14.1-125.9 -73.6 151.3 -3.0 44.1 37.2 128 126 A L E -b 5 0A 3 -124,-2.3 -122,-3.9 32,-0.1 2,-0.5 -0.847 21.1-152.7 -99.4 126.4 -5.0 43.8 34.1 129 127 A V E -be 6 162A 0 32,-3.2 34,-3.9 -2,-0.5 2,-0.6 -0.837 6.9-164.9-103.4 134.7 -7.5 40.9 33.9 130 128 A V E -be 7 163A 0 -124,-3.2 -122,-3.3 -2,-0.5 2,-0.7 -0.961 4.5-163.2-117.0 111.8 -8.7 39.3 30.7 131 129 A Y E -be 8 164A 15 32,-3.0 34,-2.8 -2,-0.6 2,-0.4 -0.855 12.5-166.5 -96.5 112.2 -11.8 37.2 31.0 132 130 A I E -be 9 165A 1 -124,-2.4 -122,-0.5 -2,-0.7 2,-0.3 -0.814 4.2-167.8-108.0 142.0 -12.1 34.9 27.9 133 131 A S E - e 0 166A 5 32,-2.1 34,-1.8 -2,-0.4 -121,-0.0 -0.936 30.7-116.6-123.7 144.1 -15.2 32.9 26.9 134 132 A D > - 0 0 53 -2,-0.3 3,-2.0 32,-0.2 4,-0.2 -0.733 32.0-134.5 -69.9 116.2 -15.9 30.2 24.4 135 133 A P G > S+ 0 0 2 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.557 97.1 79.5 -59.7 1.5 -18.3 32.1 22.2 136 134 A E G 3 S+ 0 0 84 1,-0.3 -3,-0.0 3,-0.0 -2,-0.0 0.845 75.5 68.6 -73.9 -36.3 -20.4 28.9 22.2 137 135 A I G < S+ 0 0 74 -3,-2.0 2,-0.8 1,-0.2 -1,-0.3 0.529 87.5 88.2 -53.3 -2.8 -21.8 29.8 25.6 138 136 A L < + 0 0 5 -3,-0.8 -1,-0.2 -4,-0.2 42,-0.0 -0.810 41.0 128.2-109.7 92.7 -23.4 32.5 23.5 139 137 A K S S+ 0 0 110 -2,-0.8 -1,-0.2 1,-0.4 -2,-0.1 0.694 71.0 4.4-112.2 -31.3 -26.7 31.2 22.1 140 138 A K S >> S- 0 0 101 -3,-0.2 3,-1.6 0, 0.0 4,-0.8 -0.981 88.3 -77.0-162.7 160.9 -29.3 33.9 23.0 141 139 A P H 3> S+ 0 0 14 0, 0.0 4,-1.0 0, 0.0 3,-0.1 0.648 124.0 58.4 -40.8 -28.8 -29.7 37.4 24.6 142 140 A N H >> S+ 0 0 73 1,-0.2 4,-1.7 2,-0.2 3,-1.0 0.969 96.8 57.1 -66.8 -54.4 -29.4 35.8 28.0 143 141 A D H <> S+ 0 0 24 -3,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.770 104.9 57.0 -47.9 -29.0 -25.9 34.3 27.4 144 142 A Y H 3X S+ 0 0 3 -4,-0.8 4,-1.3 2,-0.2 -1,-0.2 0.850 104.7 45.7 -76.7 -40.0 -24.7 37.9 26.6 145 143 A a H S+ 0 0 59 -4,-2.4 4,-2.8 2,-0.2 5,-1.0 0.964 112.4 44.9 -48.4 -63.8 -13.4 42.5 38.8 156 154 A L H <5S+ 0 0 149 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.950 116.3 48.6 -40.0 -60.6 -15.2 43.0 42.1 157 155 A R H <5S+ 0 0 111 -4,-3.7 -2,-0.2 1,-0.2 -1,-0.2 0.915 122.4 29.3 -53.3 -52.8 -13.6 39.7 43.4 158 156 A L H <5S- 0 0 0 -4,-3.8 -1,-0.2 2,-0.2 -2,-0.2 0.618 97.8-127.7 -89.5 -12.0 -10.0 40.4 42.4 159 157 A G T <5S+ 0 0 62 -4,-2.8 2,-0.3 -5,-0.4 -3,-0.2 0.953 70.5 118.0 63.9 48.0 -10.0 44.2 42.6 160 158 A A S + 0 0 65 56,-0.5 3,-1.8 -2,-0.3 57,-0.2 0.796 62.7 151.7 67.8 31.9 -11.4 31.3 18.9 169 167 A V G > + 0 0 4 55,-1.4 3,-1.0 -3,-0.3 56,-0.1 0.539 61.2 77.0 -68.9 -8.9 -13.3 33.8 16.8 170 168 A D G 3 S+ 0 0 45 1,-0.2 -1,-0.3 54,-0.2 55,-0.1 0.626 89.0 58.3 -72.7 -13.9 -11.5 32.3 13.8 171 169 A L G < S+ 0 0 117 -3,-1.8 2,-0.4 2,-0.1 -1,-0.2 0.424 88.2 101.6 -91.8 -4.9 -14.0 29.4 14.2 172 170 A L S < S- 0 0 16 -3,-1.0 2,-0.2 -4,-0.1 -3,-0.0 -0.688 71.5-134.8 -85.9 129.8 -16.8 31.8 13.8 173 171 A S >> - 0 0 51 -2,-0.4 4,-2.9 1,-0.1 3,-0.5 -0.534 32.5-112.7 -65.8 149.3 -18.7 32.1 10.5 174 172 A E H 3> S+ 0 0 140 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.828 120.3 69.9 -58.0 -26.2 -19.1 35.8 9.7 175 173 A E H 3> S+ 0 0 155 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.965 108.4 31.4 -46.4 -60.8 -22.8 34.8 10.3 176 174 A E H <> S+ 0 0 41 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.908 114.7 60.3 -69.2 -45.1 -22.0 34.3 14.0 177 175 A K H X S+ 0 0 75 -4,-2.9 4,-1.7 1,-0.2 5,-0.2 0.943 108.2 45.7 -46.9 -54.4 -19.3 37.0 14.1 178 176 A E H X S+ 0 0 95 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.954 111.3 53.2 -48.8 -57.2 -22.0 39.5 13.0 179 177 A R H X S+ 0 0 114 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.806 109.1 47.5 -52.2 -41.6 -24.5 38.2 15.5 180 178 A H H X S+ 0 0 3 -4,-2.5 4,-1.3 -3,-0.2 -1,-0.2 0.887 109.3 49.3 -73.3 -43.4 -22.2 38.5 18.6 181 179 A R H >X>S+ 0 0 69 -4,-1.7 4,-3.6 -5,-0.2 5,-0.7 0.940 108.0 55.1 -63.8 -45.3 -20.9 42.1 18.1 182 180 A K H 3X5S+ 0 0 98 -4,-1.9 4,-1.6 1,-0.3 8,-0.3 0.955 111.9 43.6 -47.9 -57.7 -24.4 43.5 17.5 183 181 A Y H 3<5S+ 0 0 26 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.723 122.9 39.9 -59.3 -25.2 -25.5 42.0 20.9 184 182 A F H <<5S+ 0 0 1 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.860 120.7 32.5 -96.4 -44.4 -22.2 43.2 22.6 185 183 A E H <5S+ 0 0 111 -4,-3.6 2,-1.3 1,-0.2 3,-0.2 0.708 103.8 70.6 -96.8 -23.3 -21.3 46.7 21.3 186 184 A D >X< + 0 0 80 -4,-1.6 3,-2.5 -5,-0.7 4,-1.3 -0.565 63.1 179.6 -91.6 73.8 -24.8 48.2 20.6 187 185 A I H 3> S+ 0 0 50 -2,-1.3 4,-3.1 1,-0.3 3,-0.4 0.857 76.2 54.1 -36.5 -57.6 -25.7 48.5 24.3 188 186 A D H 34 S+ 0 0 123 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.162 106.8 53.5 -75.1 21.1 -29.2 50.0 23.6 189 187 A Y H <4 S+ 0 0 89 -3,-2.5 4,-0.4 -7,-0.2 -1,-0.2 0.653 116.2 32.9-115.9 -44.9 -30.1 47.1 21.3 190 188 A L H >X S+ 0 0 14 -4,-1.3 4,-0.8 -3,-0.4 3,-0.7 0.879 113.2 62.0 -74.8 -40.9 -29.5 44.2 23.6 191 189 A T T 3< S+ 0 0 33 -4,-3.1 -1,-0.2 -5,-0.3 -3,-0.2 0.596 115.4 35.5 -61.0 -8.4 -30.5 46.3 26.6 192 190 A A T 34 S+ 0 0 53 -5,-0.2 3,-0.3 -3,-0.2 -1,-0.3 0.436 103.7 70.7-119.1 -12.0 -33.8 46.4 24.7 193 191 A R T <4 S+ 0 0 96 -3,-0.7 3,-0.4 -4,-0.4 2,-0.3 0.508 82.5 80.4 -79.2 -5.8 -33.6 42.9 23.3 194 192 A L S < S+ 0 0 9 -4,-0.8 -1,-0.2 1,-0.2 -4,-0.1 -0.224 82.4 61.1 -97.0 42.6 -34.2 41.8 26.9 195 193 A K S S+ 0 0 129 -3,-0.3 -1,-0.2 -2,-0.3 -2,-0.1 0.481 72.8 84.0-138.8 -21.6 -38.0 42.4 26.8 196 194 A L S S+ 0 0 130 -3,-0.4 -2,-0.1 -4,-0.2 7,-0.1 0.110 80.4 84.5 -74.5 25.8 -39.3 40.0 24.1 197 195 A D - 0 0 67 5,-0.5 2,-1.1 2,-0.0 9,-0.1 -0.909 61.6-168.7-133.4 106.4 -39.3 37.4 26.9 198 196 A P + 0 0 116 0, 0.0 2,-0.3 0, 0.0 5,-0.1 -0.635 46.0 100.3 -98.6 74.8 -42.4 37.3 29.1 199 197 A S S >> S- 0 0 51 -2,-1.1 3,-3.7 1,-0.1 4,-0.6 -0.956 89.7 -89.3-160.5 138.3 -41.5 35.0 32.1 200 198 A M H 3> S+ 0 0 170 1,-0.3 4,-1.1 -2,-0.3 3,-0.3 0.636 135.7 30.2 -8.0 -46.3 -40.4 35.3 35.7 201 199 A Q H 3> S+ 0 0 119 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.681 107.9 68.7-100.0 -23.0 -36.9 35.3 34.2 202 200 A G H <4 S+ 0 0 5 -3,-3.7 -5,-0.5 1,-0.1 -2,-0.2 0.127 110.8 38.5 -79.9 21.9 -37.7 36.9 30.8 203 201 A L H >X S+ 0 0 86 -4,-0.6 3,-1.2 -3,-0.3 4,-1.1 0.532 113.2 46.2-134.8 -56.3 -38.3 40.1 32.9 204 202 A M H >X S+ 0 0 75 -4,-1.1 4,-1.6 -5,-0.3 3,-1.4 0.982 104.5 65.6 -51.2 -58.2 -35.8 40.3 35.7 205 203 A A H 3X S+ 0 0 17 -4,-1.1 4,-0.8 1,-0.3 -1,-0.3 0.710 100.8 53.7 -37.2 -26.3 -33.1 39.5 33.2 206 204 A Y H <4 S+ 0 0 69 -3,-1.2 -1,-0.3 1,-0.2 4,-0.2 0.898 106.6 46.2 -81.2 -43.2 -34.0 42.8 31.6 207 205 A K H X S+ 0 0 75 -4,-1.6 3,-1.3 1,-0.2 4,-1.0 0.971 107.3 21.7 -64.9 -87.0 -30.4 43.2 35.3 209 207 A a H 3< S+ 0 0 15 -4,-0.8 4,-0.2 1,-0.3 -1,-0.2 0.372 111.2 82.9 -69.3 10.6 -27.9 44.5 32.8 210 208 A S H 34 S+ 0 0 24 -4,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.910 103.0 25.7 -76.8 -46.4 -30.1 47.5 32.5 211 209 A M H X< S+ 0 0 141 -3,-1.3 3,-6.5 -4,-0.9 -2,-0.2 0.968 113.3 60.3 -79.1 -68.9 -28.6 49.2 35.6 212 210 A M T 3X S+ 0 0 32 -4,-1.0 4,-0.7 1,-0.3 3,-0.3 0.800 107.7 55.8 -28.3 -32.3 -25.1 47.8 35.7 213 211 A T T 34 S+ 0 0 35 -5,-0.3 2,-0.8 1,-0.2 -1,-0.3 0.802 104.1 53.9 -72.9 -30.7 -25.2 49.5 32.4 214 212 A E T <4 S+ 0 0 158 -3,-6.5 -1,-0.2 -4,-0.3 -2,-0.1 -0.732 102.2 51.9-108.7 81.7 -26.2 52.8 34.0 215 213 A V T 4 S+ 0 0 107 -2,-0.8 -2,-0.1 -3,-0.3 -1,-0.1 0.079 114.3 15.8-169.6 -56.9 -23.5 53.3 36.6 216 214 A L S < S- 0 0 127 -4,-0.7 0, 0.0 0, 0.0 0, 0.0 -0.978 93.2 -95.8-140.2 121.2 -20.1 53.1 35.1 217 215 A P - 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