==== 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 1YR6 . COMPND 2 MOLECULE: ATP(GTP)BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS ABYSSI; . AUTHOR S.GRAS,P.CARPENTIER,J.ARMENGAUD,D.HOUSSET . 248 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12944.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 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 . 31 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.4 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 1 0 0 2 0 2 2 0 1 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 . 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 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 1 497 A G 0 0 49 0, 0.0 99,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0-139.7 43.0 7.2 9.0 2 498 A M + 0 0 141 96,-0.1 98,-0.2 31,-0.1 97,-0.1 0.335 360.0 118.6-175.3 9.1 41.0 5.2 6.6 3 499 A A - 0 0 49 30,-0.1 97,-0.2 2,-0.1 98,-0.1 0.829 64.9-153.2 -54.1 -26.3 37.7 4.0 8.0 4 500 A S + 0 0 29 95,-1.5 2,-0.4 1,-0.2 97,-0.2 0.933 30.5 158.6 50.8 61.4 36.5 6.1 5.0 5 1 A M E -a 101 0A 13 95,-2.4 97,-2.9 94,-0.1 2,-0.5 -0.904 25.1-160.1-108.6 141.9 33.1 7.2 6.1 6 2 A I E -a 102 0A 0 -2,-0.4 124,-2.0 95,-0.2 2,-0.5 -0.988 5.0-168.6-118.3 127.8 31.3 10.3 4.7 7 3 A V E -ab 103 130A 0 95,-2.5 97,-3.3 -2,-0.5 2,-0.6 -0.985 7.4-155.8-120.6 124.0 28.4 11.8 6.7 8 4 A V E -ab 104 131A 0 122,-3.3 124,-3.3 -2,-0.5 2,-0.6 -0.870 3.3-152.6-104.6 118.2 26.3 14.4 4.9 9 5 A F E -ab 105 132A 0 95,-3.3 97,-1.4 -2,-0.6 2,-0.4 -0.838 16.9-179.8 -96.5 122.7 24.4 16.9 7.1 10 6 A V E + b 0 133A 2 122,-2.9 124,-3.5 -2,-0.6 2,-0.2 -0.929 19.5 122.1-123.0 137.1 21.2 18.3 5.5 11 7 A G - 0 0 0 -2,-0.4 2,-0.2 96,-0.3 124,-0.1 -0.865 56.1 -87.5 173.8 154.7 18.8 20.9 7.0 12 8 A T > - 0 0 74 122,-0.5 3,-2.7 -2,-0.2 5,-0.3 -0.471 58.4 -83.4 -79.7 150.8 17.3 24.3 6.5 13 9 A A T 3 S+ 0 0 66 95,-2.3 -1,-0.1 1,-0.3 95,-0.0 -0.310 120.9 37.0 -56.1 119.3 19.0 27.5 7.6 14 10 A G T 3 S+ 0 0 54 -2,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 -0.047 85.4 99.1 121.7 -29.7 18.1 27.8 11.3 15 11 A S S < S- 0 0 1 -3,-2.7 -2,-0.1 93,-0.1 120,-0.1 0.533 92.3-118.8 -72.5 -5.8 18.3 24.1 12.2 16 12 A G > + 0 0 21 -4,-0.2 4,-1.9 153,-0.1 5,-0.1 0.762 64.3 145.7 74.1 23.8 21.8 24.5 13.7 17 13 A K H > + 0 0 8 -5,-0.3 4,-1.7 1,-0.2 5,-0.1 0.826 68.6 52.5 -57.9 -39.6 23.3 22.0 11.2 18 14 A T H > S+ 0 0 24 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.902 109.7 46.2 -70.6 -40.6 26.6 23.9 11.0 19 15 A T H > S+ 0 0 88 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.893 112.9 52.1 -64.5 -40.2 27.2 24.0 14.8 20 16 A L H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.853 105.4 54.5 -61.1 -43.2 26.3 20.3 15.0 21 17 A T H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.955 111.2 45.6 -58.5 -51.7 28.8 19.3 12.2 22 18 A G H X S+ 0 0 4 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.961 116.6 42.7 -53.4 -56.1 31.6 21.0 14.1 23 19 A E H X S+ 0 0 39 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.897 112.1 53.0 -67.5 -37.4 30.8 19.5 17.5 24 20 A F H X S+ 0 0 0 -4,-2.9 4,-1.5 -5,-0.2 -1,-0.2 0.947 109.1 52.7 -62.5 -41.9 30.1 16.1 16.1 25 21 A G H >X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 3,-0.9 0.962 108.1 49.2 -47.6 -60.5 33.6 16.3 14.4 26 22 A R H 3< S+ 0 0 132 -4,-2.5 4,-0.4 1,-0.3 3,-0.4 0.932 107.7 54.4 -52.0 -50.1 35.2 17.2 17.8 27 23 A Y H >< S+ 0 0 44 -4,-2.5 3,-0.6 1,-0.2 4,-0.3 0.861 113.5 43.3 -48.1 -38.4 33.5 14.3 19.4 28 24 A L H XX S+ 0 0 1 -4,-1.5 4,-2.1 -3,-0.9 3,-1.1 0.781 94.7 77.7 -80.3 -27.3 35.0 12.0 16.7 29 25 A E T 3< S+ 0 0 97 -4,-2.1 -1,-0.2 -3,-0.4 -2,-0.2 0.548 83.5 67.6 -67.7 -4.0 38.4 13.5 16.7 30 26 A D T <4 S+ 0 0 123 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.1 0.906 120.5 14.7 -74.2 -45.8 39.2 11.6 19.9 31 27 A N T <4 S+ 0 0 131 -3,-1.1 2,-0.3 -4,-0.3 -2,-0.2 0.427 127.4 44.7-110.2 -6.4 39.2 8.2 18.2 32 28 A Y S < S- 0 0 69 -4,-2.1 2,-0.5 -31,-0.1 67,-0.0 -0.926 73.3-112.6-140.6 161.9 39.3 9.1 14.5 33 29 A K - 0 0 101 -2,-0.3 68,-2.1 -3,-0.0 67,-1.7 -0.859 44.6-168.9 -91.8 130.5 40.9 11.3 11.8 34 30 A V E -c 101 0A 13 -2,-0.5 2,-0.3 66,-0.2 68,-0.2 -0.965 18.2-168.4-135.4 134.7 38.3 13.7 10.5 35 31 A A E -c 102 0A 4 66,-2.6 68,-2.7 -2,-0.4 2,-0.4 -0.952 14.3-145.3-120.5 143.9 37.9 16.1 7.6 36 32 A Y E -c 103 0A 11 13,-0.5 15,-2.7 -2,-0.3 16,-1.3 -0.907 8.3-164.4-114.5 138.2 35.2 18.8 7.1 37 33 A V E -cd 104 52A 0 66,-2.9 68,-3.7 -2,-0.4 2,-0.6 -0.975 2.8-161.9-121.5 121.9 33.7 19.9 3.9 38 34 A N E +cd 105 53A 0 14,-2.7 16,-2.2 -2,-0.5 17,-0.2 -0.908 16.2 169.2-101.4 115.4 31.7 23.1 3.5 39 35 A L + 0 0 3 66,-2.9 2,-0.6 -2,-0.6 67,-0.1 0.283 46.4 108.6-103.5 10.9 29.4 23.3 0.4 40 36 A D > - 0 0 18 66,-0.2 3,-0.6 65,-0.2 15,-0.2 -0.781 44.8-172.8 -95.9 115.3 27.6 26.4 1.5 41 37 A T T 3 S+ 0 0 1 -2,-0.6 19,-3.0 1,-0.2 20,-0.4 0.450 83.9 44.2 -82.4 -2.1 28.3 29.7 -0.4 42 38 A G T 3 S+ 0 0 41 17,-0.2 2,-0.3 18,-0.2 -1,-0.2 0.254 76.9 116.9-130.7 13.0 26.3 32.0 1.9 43 39 A V < - 0 0 24 -3,-0.6 3,-0.1 1,-0.1 17,-0.1 -0.664 53.5-149.4 -78.9 138.6 27.1 30.9 5.4 44 40 A K + 0 0 159 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.949 69.4 9.6 -75.0 -49.6 28.9 33.6 7.4 45 41 A E - 0 0 129 2,-0.0 -1,-0.2 0, 0.0 0, 0.0 -0.960 58.6-143.0-140.6 148.0 31.2 31.6 9.7 46 42 A L - 0 0 27 -2,-0.3 -27,-0.1 2,-0.1 -8,-0.0 -0.926 4.5-157.9-112.7 129.8 32.4 28.1 10.3 47 43 A P S S+ 0 0 68 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.404 80.9 54.0 -86.6 10.5 33.0 26.6 13.8 48 44 A Y S S- 0 0 22 -23,-0.0 -2,-0.1 -22,-0.0 -26,-0.1 -0.813 91.9-103.5-132.5 172.2 35.4 24.1 12.3 49 45 A E - 0 0 171 -2,-0.3 -13,-0.5 -27,-0.1 2,-0.2 -0.886 42.9-141.9-102.0 109.7 38.5 24.1 10.0 50 46 A P - 0 0 42 0, 0.0 -13,-0.2 0, 0.0 3,-0.1 -0.523 23.0-164.3 -84.7 140.4 37.4 23.1 6.6 51 47 A S S S+ 0 0 63 -15,-2.7 2,-0.4 1,-0.3 -14,-0.2 0.890 93.6 24.6 -71.1 -48.9 39.4 21.0 4.1 52 48 A I E +d 37 0A 7 -16,-1.3 -14,-2.7 40,-0.0 2,-0.3 -0.964 68.5 175.1-116.8 136.5 37.2 22.2 1.3 53 49 A D E > -d 38 0A 28 -2,-0.4 3,-3.2 -16,-0.2 4,-0.3 -0.780 19.3-159.2-144.4 95.7 35.3 25.5 1.5 54 50 A V G >> S+ 0 0 0 -16,-2.2 4,-1.7 -2,-0.3 3,-1.0 0.623 88.8 75.7 -57.9 -10.2 33.4 26.5 -1.6 55 51 A R G 34 S+ 0 0 62 1,-0.2 -1,-0.3 2,-0.2 -16,-0.1 0.744 80.5 71.9 -70.8 -24.2 33.5 30.1 -0.3 56 52 A E G <4 S+ 0 0 103 -3,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.816 110.8 29.4 -46.9 -38.0 37.2 30.1 -1.5 57 53 A F T <4 S- 0 0 58 -3,-1.0 2,-0.3 1,-0.3 -2,-0.2 0.720 135.3 -3.5-102.7 -30.4 35.9 30.1 -5.0 58 54 A V < - 0 0 3 -4,-1.7 -1,-0.3 4,-0.0 2,-0.3 -0.941 53.6-165.1-168.5 140.0 32.6 32.0 -4.7 59 55 A T > - 0 0 28 -2,-0.3 4,-1.6 1,-0.1 -17,-0.2 -0.948 29.7-127.9-129.6 150.3 30.3 33.6 -2.1 60 56 A V H > S+ 0 0 14 -19,-3.0 4,-1.2 -2,-0.3 -18,-0.2 0.947 109.7 57.0 -60.2 -43.7 26.7 34.7 -2.3 61 57 A E H >> S+ 0 0 84 -20,-0.4 4,-0.8 1,-0.2 3,-0.7 0.910 104.9 48.0 -54.4 -51.1 27.8 38.1 -1.0 62 58 A E H >> S+ 0 0 81 1,-0.2 3,-1.0 2,-0.2 4,-0.8 0.907 111.2 49.9 -60.5 -42.1 30.4 38.9 -3.6 63 59 A I H 3<>S+ 0 0 0 -4,-1.6 5,-1.1 1,-0.3 -1,-0.2 0.680 97.4 68.4 -76.6 -13.6 28.1 38.0 -6.5 64 60 A M H X<5S+ 0 0 73 -4,-1.2 3,-1.1 -3,-0.7 -1,-0.3 0.781 93.4 61.7 -68.8 -25.5 25.4 40.2 -5.1 65 61 A R H <<5S+ 0 0 195 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.2 0.937 89.8 64.7 -61.9 -48.5 27.7 43.1 -6.0 66 62 A E T 3<5S- 0 0 108 -4,-0.8 -1,-0.3 1,-0.1 -2,-0.2 0.605 130.9 -96.6 -50.6 -8.6 27.5 42.2 -9.6 67 63 A G T < 5S+ 0 0 62 -3,-1.1 2,-0.2 1,-0.3 -3,-0.2 0.562 78.3 137.3 103.9 7.8 23.9 43.2 -9.1 68 64 A Y < - 0 0 86 -5,-1.1 -1,-0.3 1,-0.1 -2,-0.0 -0.582 51.9-124.0 -77.7 150.0 22.0 39.9 -8.5 69 65 A G > - 0 0 39 -2,-0.2 4,-2.5 1,-0.1 5,-0.1 -0.238 38.8 -95.7 -73.2 179.6 19.3 39.8 -5.8 70 66 A P H > S+ 0 0 73 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.901 124.4 54.0 -75.2 -37.7 19.9 37.1 -3.2 71 67 A N H > S+ 0 0 139 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.975 117.2 38.8 -49.4 -57.9 17.6 34.5 -4.9 72 68 A G H > S+ 0 0 32 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.866 113.4 55.1 -63.1 -37.1 19.6 34.9 -8.1 73 69 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.855 108.4 49.3 -69.7 -34.6 23.0 35.2 -6.3 74 70 A I H X S+ 0 0 37 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.935 114.4 42.9 -66.5 -50.8 22.4 31.9 -4.5 75 71 A V H >X S+ 0 0 79 -4,-1.9 4,-1.1 -5,-0.2 3,-0.7 0.951 115.3 51.7 -60.3 -45.8 21.4 30.0 -7.7 76 72 A E H 3X S+ 0 0 42 -4,-3.0 4,-1.8 1,-0.2 3,-0.4 0.852 101.9 59.1 -61.9 -37.6 24.3 31.8 -9.6 77 73 A S H 3X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.842 108.5 46.0 -60.7 -32.6 26.9 30.8 -6.9 78 74 A Y H < S+ 0 0 43 -4,-1.8 3,-0.8 1,-0.2 -2,-0.2 0.827 105.8 57.9 -73.2 -33.3 29.8 28.8 -11.0 81 77 A L H >< S+ 0 0 0 -4,-1.2 3,-2.5 1,-0.2 7,-0.2 0.839 94.9 65.3 -63.6 -37.6 30.7 25.9 -8.7 82 78 A M G >< S+ 0 0 40 -4,-1.0 3,-1.4 1,-0.3 4,-0.3 0.735 87.4 70.1 -56.0 -25.9 29.7 23.4 -11.5 83 79 A E G < S+ 0 0 139 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.704 109.0 35.3 -61.3 -21.6 32.6 24.9 -13.4 84 80 A K G <> S+ 0 0 64 -3,-2.5 4,-2.7 -4,-0.2 5,-0.3 0.020 83.2 123.5-117.3 24.5 34.7 23.1 -10.7 85 81 A F H <> S+ 0 0 24 -3,-1.4 4,-2.7 1,-0.2 5,-0.2 0.925 76.4 41.5 -55.0 -56.4 32.5 20.0 -10.3 86 82 A N H > S+ 0 0 97 -4,-0.3 4,-3.0 1,-0.2 5,-0.3 0.907 114.0 54.6 -61.6 -42.6 35.1 17.3 -11.2 87 83 A E H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.930 111.7 43.1 -56.4 -48.1 37.7 19.1 -9.1 88 84 A Y H X S+ 0 0 0 -4,-2.7 4,-1.7 -7,-0.2 -2,-0.2 0.909 113.2 53.5 -65.2 -39.4 35.5 19.2 -6.0 89 85 A L H >X S+ 0 0 15 -4,-2.7 4,-2.7 -5,-0.3 3,-0.5 0.970 112.0 42.6 -59.5 -53.4 34.4 15.6 -6.5 90 86 A N H 3X S+ 0 0 77 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.895 111.5 57.2 -61.1 -40.4 38.1 14.3 -6.7 91 87 A K H 3X S+ 0 0 57 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.2 0.831 111.5 42.0 -51.7 -37.9 39.0 16.6 -3.8 92 88 A I H X S+ 0 0 141 -4,-2.0 4,-1.9 2,-0.2 3,-0.9 0.879 107.0 55.1 -74.2 -41.2 40.7 12.0 -1.8 95 91 A L H 3< S+ 0 0 17 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.897 106.7 53.6 -55.4 -40.3 39.7 13.3 1.6 96 92 A E T 3< S+ 0 0 16 -4,-2.1 -1,-0.3 1,-0.2 3,-0.3 0.700 105.9 52.3 -70.0 -21.1 37.8 10.1 2.1 97 93 A K T <4 S+ 0 0 105 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.821 114.5 42.1 -80.4 -34.2 40.9 8.1 1.3 98 94 A E S < S+ 0 0 92 -4,-1.9 2,-0.3 -95,-0.0 -2,-0.2 0.213 113.2 60.2 -96.7 14.7 43.0 9.9 3.9 99 95 A N - 0 0 3 -3,-0.3 -95,-1.5 -4,-0.1 -65,-0.2 -0.968 61.7-143.9-143.6 157.2 40.3 10.0 6.6 100 96 A D S S+ 0 0 25 -67,-1.7 -95,-2.4 -2,-0.3 2,-0.4 0.836 98.1 22.9 -78.5 -40.7 38.1 8.0 8.9 101 97 A Y E -ac 5 34A 2 -68,-2.1 -66,-2.6 -97,-0.2 2,-0.5 -0.998 56.2-171.6-132.3 130.6 35.3 10.6 8.6 102 98 A V E -ac 6 35A 1 -97,-2.9 -95,-2.5 -2,-0.4 2,-0.6 -0.977 18.2-162.1-110.8 111.9 34.5 13.2 6.0 103 99 A L E -ac 7 36A 0 -68,-2.7 -66,-2.9 -2,-0.5 2,-0.6 -0.833 5.4-154.8 -99.6 121.4 31.7 15.3 7.3 104 100 A I E -ac 8 37A 2 -97,-3.3 -95,-3.3 -2,-0.6 2,-0.5 -0.875 6.6-160.4-108.9 122.5 29.9 17.3 4.7 105 101 A D E -ac 9 38A 0 -68,-3.7 -66,-2.9 -2,-0.6 -65,-0.2 -0.815 17.8-158.3 -96.0 122.0 28.1 20.5 5.4 106 102 A T - 0 0 0 -97,-1.4 -66,-0.2 -2,-0.5 4,-0.1 -0.567 34.3 -63.2-102.7 170.5 25.5 21.3 2.7 107 103 A P - 0 0 2 0, 0.0 -96,-0.3 0, 0.0 6,-0.2 -0.170 38.1-128.2 -53.3 129.6 23.9 24.7 1.7 108 104 A G S S+ 0 0 9 1,-0.2 -95,-2.3 -96,-0.1 2,-0.8 0.662 107.3 67.0 -51.3 -18.2 21.7 26.3 4.4 109 105 A Q S > S- 0 0 87 -97,-0.2 3,-2.5 1,-0.1 4,-0.5 -0.812 77.8-165.8-103.2 89.9 19.1 26.5 1.6 110 106 A M T >> S+ 0 0 13 -2,-0.8 4,-2.8 1,-0.3 3,-0.8 0.694 83.1 62.0 -59.1 -19.8 18.6 22.7 1.2 111 107 A E H 3>>S+ 0 0 115 2,-0.3 4,-3.3 1,-0.3 5,-1.0 0.798 94.3 63.1 -73.1 -28.6 16.8 23.1 -2.1 112 108 A T H <45S+ 0 0 15 -3,-2.5 7,-0.4 3,-0.2 -1,-0.3 0.609 113.9 36.1 -61.8 -16.3 20.0 24.5 -3.4 113 109 A F H <45S+ 0 0 6 -3,-0.8 -2,-0.3 -4,-0.5 -1,-0.2 0.718 120.6 46.3-101.1 -35.1 21.2 21.0 -2.5 114 110 A L H <5S+ 0 0 7 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.826 126.4 22.8 -77.9 -32.2 18.0 19.1 -3.5 115 111 A F T <5S+ 0 0 139 -4,-3.3 -3,-0.2 -5,-0.1 -4,-0.1 0.885 98.0 86.4-104.4 -49.2 17.4 20.7 -6.8 116 112 A H S >> S+ 0 0 99 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.827 105.5 62.9 -42.4 -53.5 22.9 20.0 -10.4 118 114 A F H 3> S+ 0 0 2 -40,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.884 108.6 38.7 -50.1 -47.6 26.0 20.5 -8.2 119 115 A G H <> S+ 0 0 0 -3,-0.5 4,-1.6 -7,-0.4 -1,-0.2 0.886 118.4 45.8 -74.8 -42.2 24.5 18.9 -5.1 120 116 A V H X S+ 0 0 5 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.864 115.4 45.9 -70.3 -36.4 22.6 16.1 -6.7 121 117 A R H X S+ 0 0 100 -4,-2.8 4,-0.7 2,-0.2 -2,-0.2 0.872 108.5 55.0 -77.9 -35.3 25.5 15.1 -9.0 122 118 A L H >X S+ 0 0 2 -4,-1.7 3,-0.8 -5,-0.4 4,-0.5 0.937 110.8 48.3 -58.3 -43.1 28.1 15.2 -6.2 123 119 A M H >< S+ 0 0 6 -4,-1.6 3,-0.5 1,-0.3 -2,-0.2 0.812 105.8 54.1 -72.2 -34.1 25.9 12.8 -4.3 124 120 A E H 3< S+ 0 0 120 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.649 112.0 49.7 -67.5 -14.8 25.4 10.3 -7.1 125 121 A N H << S+ 0 0 78 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.492 90.2 89.9-109.3 -3.1 29.2 10.2 -7.3 126 122 A L S << S- 0 0 13 -3,-0.5 2,-0.9 -4,-0.5 -37,-0.0 -0.680 86.3-101.9 -92.4 149.0 30.2 9.6 -3.7 127 123 A P S S- 0 0 51 0, 0.0 -121,-0.2 0, 0.0 -2,-0.1 -0.604 78.8 -48.4 -73.6 101.6 30.6 6.1 -2.3 128 124 A Y S S- 0 0 172 -2,-0.9 -122,-0.2 1,-0.1 34,-0.1 0.730 76.7-172.9 52.7 39.9 27.6 5.1 -0.2 129 125 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 34,-0.3 -0.212 18.6-129.1 -69.0 152.6 27.4 8.3 2.0 130 126 A L E -b 7 0A 3 -124,-2.0 -122,-3.3 32,-0.1 2,-0.5 -0.853 18.2-148.3-101.0 139.5 25.0 8.5 4.9 131 127 A V E -be 8 164A 0 32,-2.9 34,-3.3 -2,-0.4 2,-0.6 -0.882 6.6-162.1-110.7 132.8 22.7 11.5 5.1 132 128 A V E -be 9 165A 0 -124,-3.3 -122,-2.9 -2,-0.5 2,-0.8 -0.957 9.8-155.2-111.0 118.3 21.5 13.0 8.3 133 129 A Y E -be 10 166A 15 32,-2.8 34,-2.7 -2,-0.6 2,-0.4 -0.819 11.5-153.5 -97.4 110.5 18.5 15.2 7.9 134 130 A I E - e 0 167A 1 -124,-3.5 -122,-0.5 -2,-0.8 2,-0.4 -0.658 12.0-173.2 -87.8 133.7 18.3 17.7 10.7 135 131 A S E - e 0 168A 4 32,-1.9 34,-1.9 -2,-0.4 -124,-0.0 -0.967 26.3-118.8-124.9 140.6 14.9 19.3 11.8 136 132 A D > - 0 0 41 -2,-0.4 3,-1.1 32,-0.2 4,-0.2 -0.542 18.1-136.5 -67.5 133.5 14.2 22.0 14.3 137 133 A P G > S+ 0 0 11 0, 0.0 3,-2.7 0, 0.0 -1,-0.1 0.888 101.2 68.3 -57.4 -35.7 12.1 20.9 17.2 138 134 A E G 3 S+ 0 0 136 1,-0.3 -2,-0.0 3,-0.0 -3,-0.0 0.701 87.8 65.2 -60.9 -19.9 10.0 24.1 16.9 139 135 A I G < S+ 0 0 66 -3,-1.1 2,-1.0 1,-0.1 -1,-0.3 0.639 86.0 84.7 -72.0 -13.2 8.6 22.8 13.6 140 136 A L < + 0 0 3 -3,-2.7 -1,-0.1 -4,-0.2 42,-0.0 -0.750 45.3 121.2 -99.1 94.9 7.0 20.0 15.6 141 137 A K S S+ 0 0 146 -2,-1.0 -1,-0.2 1,-0.4 -2,-0.1 0.494 70.5 28.2-130.2 -12.5 3.6 21.3 16.9 142 138 A K S >> S- 0 0 96 -3,-0.2 3,-2.1 1,-0.0 4,-0.7 -0.983 84.3-103.1-159.6 147.6 0.9 19.0 15.5 143 139 A P H 3> S+ 0 0 18 0, 0.0 4,-1.0 0, 0.0 5,-0.1 0.600 118.4 62.9 -55.8 -16.5 0.8 15.3 14.3 144 140 A N H 3> S+ 0 0 46 1,-0.2 4,-2.5 2,-0.2 3,-0.5 0.927 95.3 59.5 -67.9 -47.1 0.9 16.5 10.7 145 141 A D H <> S+ 0 0 25 -3,-2.1 4,-2.5 1,-0.2 5,-0.2 0.793 100.5 58.3 -50.0 -34.6 4.3 17.9 11.3 146 142 A Y H X S+ 0 0 12 -4,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.891 110.3 37.2 -71.6 -46.8 5.6 14.5 12.3 147 143 A C H X S+ 0 0 32 -4,-1.0 4,-3.1 -3,-0.5 5,-0.2 0.829 115.3 58.2 -71.5 -34.4 4.8 12.6 9.1 148 144 A F H X S+ 0 0 128 -4,-2.5 4,-3.0 2,-0.2 3,-0.3 0.993 110.5 40.4 -52.6 -68.8 5.7 15.7 7.1 149 145 A V H X S+ 0 0 3 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.886 117.9 50.1 -45.6 -47.8 9.3 15.8 8.5 150 146 A R H X S+ 0 0 55 -4,-1.8 4,-1.0 -5,-0.2 -1,-0.2 0.856 111.9 47.1 -63.0 -38.8 9.4 12.0 8.2 151 147 A F H X S+ 0 0 89 -4,-3.1 4,-1.9 -3,-0.3 3,-0.4 0.908 106.4 57.3 -70.4 -40.7 8.2 12.0 4.6 152 148 A F H X S+ 0 0 48 -4,-3.0 4,-2.1 1,-0.3 3,-0.3 0.935 102.9 55.1 -55.3 -46.6 10.7 14.8 3.6 153 149 A A H X S+ 0 0 5 -4,-1.8 4,-1.4 1,-0.3 -1,-0.3 0.843 105.7 53.0 -52.5 -38.8 13.5 12.6 4.8 154 150 A L H X S+ 0 0 69 -4,-1.0 4,-1.6 -3,-0.4 -1,-0.3 0.890 107.1 52.2 -63.1 -38.4 12.2 9.9 2.5 155 151 A L H X S+ 0 0 80 -4,-1.9 4,-2.5 -3,-0.3 -2,-0.2 0.899 105.9 51.9 -67.7 -41.9 12.3 12.4 -0.4 156 152 A I H X>S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.5 0.892 103.6 61.6 -58.4 -39.9 16.0 13.4 0.2 157 153 A D H X>S+ 0 0 56 -4,-1.4 4,-1.6 -5,-0.2 5,-1.0 0.939 109.6 39.2 -56.0 -49.3 16.7 9.7 0.1 158 154 A L H <5S+ 0 0 122 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.995 113.9 52.4 -56.7 -64.2 15.4 9.5 -3.5 159 155 A R H <5S+ 0 0 107 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.799 127.2 23.2 -52.1 -37.2 16.9 12.8 -4.8 160 156 A L H <5S- 0 0 3 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.599 98.9-136.4-102.2 -15.8 20.4 12.0 -3.5 161 157 A G T << + 0 0 56 -4,-1.6 2,-0.3 -5,-0.5 -3,-0.2 0.994 63.2 115.7 57.2 63.3 19.9 8.2 -3.5 162 158 A A S + 0 0 64 1,-0.1 3,-2.0 -154,-0.1 57,-0.2 0.707 63.2 156.2 51.2 29.1 18.8 21.2 19.6 171 167 A V G > + 0 0 3 55,-1.8 3,-1.8 -3,-0.3 56,-0.2 0.692 60.4 76.6 -57.8 -19.7 17.1 18.7 21.9 172 168 A D G 3 S+ 0 0 37 1,-0.3 -1,-0.3 54,-0.2 -2,-0.1 0.577 87.1 62.4 -66.0 -6.8 18.7 20.4 24.9 173 169 A L G < S+ 0 0 118 -3,-2.0 2,-0.3 3,-0.0 -1,-0.3 0.336 81.2 105.7-100.5 5.3 16.1 23.1 24.5 174 170 A L < - 0 0 14 -3,-1.8 -4,-0.0 1,-0.1 -3,-0.0 -0.692 68.0-141.5 -91.9 141.4 13.3 20.7 25.2 175 171 A S - 0 0 73 -2,-0.3 -1,-0.1 1,-0.1 2,-0.1 0.561 39.2-114.7 -80.5 -9.2 11.5 20.9 28.5 176 172 A E S > S+ 0 0 92 1,-0.0 4,-2.6 0, 0.0 5,-0.1 -0.220 117.8 68.8 96.4 -41.2 11.1 17.1 28.8 177 173 A E H > S+ 0 0 150 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.971 107.1 42.2 -55.4 -56.7 7.4 17.4 28.6 178 174 A E H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.894 112.8 52.6 -54.8 -46.8 8.3 18.4 25.0 179 175 A K H > S+ 0 0 58 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.934 110.7 47.4 -55.2 -48.5 10.9 15.6 24.9 180 176 A E H X S+ 0 0 90 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.928 110.5 52.3 -60.8 -46.1 8.3 13.1 25.9 181 177 A R H X S+ 0 0 111 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.866 110.4 46.4 -61.0 -39.8 5.7 14.3 23.4 182 178 A H H X S+ 0 0 4 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.882 109.5 54.4 -71.7 -38.3 8.0 14.1 20.4 183 179 A R H X>S+ 0 0 100 -4,-1.9 4,-1.9 -5,-0.2 5,-0.6 0.886 101.4 61.9 -59.8 -40.7 9.2 10.7 21.3 184 180 A K H X5S+ 0 0 74 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.961 108.0 38.5 -50.6 -64.3 5.6 9.4 21.4 185 181 A Y H <5S+ 0 0 24 -4,-1.2 7,-0.2 1,-0.2 -1,-0.2 0.879 118.5 48.3 -56.8 -44.6 4.8 10.1 17.8 186 182 A F H <5S+ 0 0 6 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.975 116.9 32.8 -65.5 -61.4 8.1 9.1 16.3 187 183 A E H <5S+ 0 0 107 -4,-1.9 2,-0.7 -5,-0.2 -3,-0.1 0.924 100.7 82.5 -66.4 -47.5 8.9 5.7 17.9 188 184 A D X< - 0 0 65 -4,-1.5 4,-0.9 -5,-0.6 2,-0.4 -0.470 66.5-153.2 -70.5 105.2 5.4 4.3 18.2 189 185 A I T 4 S+ 0 0 99 -2,-0.7 -3,-0.1 2,-0.1 2,-0.1 -0.672 84.9 21.4 -71.1 131.6 4.1 2.7 15.0 190 186 A D T 4 S+ 0 0 103 -2,-0.4 2,-0.9 -5,-0.1 0, 0.0 0.016 104.7 71.5 70.0 159.5 0.4 3.1 15.4 191 187 A Y T > S+ 0 0 100 1,-0.1 4,-2.4 -2,-0.1 -2,-0.1 -0.367 98.2 59.5 89.9 -53.4 -0.3 5.9 17.9 192 188 A L H X S+ 0 0 36 -4,-0.9 4,-0.9 -2,-0.9 -1,-0.1 0.969 112.1 36.0 -64.9 -56.2 0.9 8.2 15.2 193 189 A T H 4 S+ 0 0 33 2,-0.2 -1,-0.2 1,-0.2 18,-0.1 0.847 114.3 60.3 -63.7 -35.4 -1.8 7.0 12.8 194 190 A A H 4 S+ 0 0 54 1,-0.3 4,-0.3 3,-0.1 -2,-0.2 0.941 107.7 42.7 -57.3 -49.7 -4.1 6.7 15.8 195 191 A R H >< S+ 0 0 142 -4,-2.4 2,-1.0 1,-0.3 3,-0.5 0.685 104.5 71.2 -70.0 -18.3 -3.7 10.5 16.5 196 192 A L T 3< S+ 0 0 11 -4,-0.9 -1,-0.3 1,-0.2 15,-0.1 -0.513 89.6 61.9 -92.1 61.1 -4.1 10.8 12.7 197 193 A K T 3 S+ 0 0 149 -2,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.350 82.7 70.9-149.5 -24.2 -7.8 9.9 12.9 198 194 A L S < S+ 0 0 131 -3,-0.5 -2,-0.1 -4,-0.3 -3,-0.1 0.533 73.7 97.9 -82.9 -7.2 -9.4 12.6 15.0 199 195 A D - 0 0 68 -4,-0.2 2,-0.9 5,-0.1 9,-0.1 -0.761 60.2-157.9 -87.4 117.5 -9.1 15.3 12.3 200 196 A P + 0 0 117 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.254 56.4 108.3 -88.7 46.2 -12.3 15.7 10.4 201 197 A S >>> - 0 0 50 -2,-0.9 4,-6.0 1,-0.2 3,-1.0 -0.987 66.4-141.2-131.1 131.6 -10.7 17.3 7.3 202 198 A M H 3>5S+ 0 0 128 -2,-0.4 4,-5.6 2,-0.3 5,-0.3 0.945 114.5 46.1 -51.5 -54.9 -10.1 15.8 3.9 203 199 A Q H 345S+ 0 0 145 2,-0.2 4,-0.4 1,-0.2 -1,-0.3 0.654 120.4 44.7 -60.6 -12.7 -6.7 17.5 3.7 204 200 A G H <>5S+ 0 0 10 -3,-1.0 4,-1.0 2,-0.2 -2,-0.3 0.799 116.8 39.9 -95.7 -43.8 -6.6 16.0 7.2 205 201 A L H X5S+ 0 0 72 -4,-6.0 4,-1.7 2,-0.2 -3,-0.2 0.755 114.3 57.8 -71.8 -26.0 -8.0 12.6 6.2 206 202 A M H X S+ 0 0 22 -4,-0.4 4,-0.7 -6,-0.3 -2,-0.2 0.749 107.3 55.7 -68.1 -26.0 -2.9 13.4 5.6 208 204 A Y H < S+ 0 0 110 -4,-1.0 3,-0.5 -6,-0.2 -1,-0.2 0.863 102.5 56.3 -72.9 -38.1 -4.2 10.2 7.3 209 205 A K H < S+ 0 0 139 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.908 99.1 60.4 -57.2 -45.1 -3.9 8.4 4.0 210 206 A M H < S+ 0 0 55 -4,-1.4 2,-2.6 1,-0.1 3,-0.5 0.789 75.3 93.8 -59.7 -32.4 -0.3 9.3 3.7 211 207 A C < + 0 0 36 -4,-0.7 -1,-0.1 -3,-0.5 -3,-0.0 -0.435 59.0 124.2 -56.4 81.6 0.5 7.5 6.9 212 208 A S + 0 0 80 -2,-2.6 -1,-0.2 2,-0.1 -2,-0.1 0.800 13.9 112.8-113.9 -63.9 1.3 4.6 4.6 213 209 A M - 0 0 62 -3,-0.5 -3,-0.0 1,-0.1 0, 0.0 0.194 48.6-178.5 -28.6 112.9 4.8 3.1 5.0 214 210 A M - 0 0 104 1,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.319 29.2 -45.6 -96.4-138.7 4.2 -0.3 6.4 215 211 A T S > S- 0 0 105 4,-0.1 3,-0.5 2,-0.0 -1,-0.2 -0.679 90.9 -15.9-105.5 154.1 6.4 -3.2 7.5 216 212 A E T 3 S+ 0 0 130 -2,-0.2 2,-3.8 1,-0.2 -2,-0.1 0.486 120.6 45.1 32.6 164.3 9.5 -4.8 6.0 217 213 A V T 3 S+ 0 0 152 1,-0.1 -1,-0.2 2,-0.0 -2,-0.0 -0.148 125.7 43.9 64.5 -47.1 10.3 -4.2 2.3 218 214 A L S < S- 0 0 57 -2,-3.8 -1,-0.1 -3,-0.5 -2,-0.1 -0.723 92.2-170.2-120.8 78.7 9.5 -0.6 3.3 219 215 A P - 0 0 92 0, 0.0 -4,-0.1 0, 0.0 -6,-0.0 -0.610 16.6-134.6 -87.3 113.1 11.4 -0.4 6.6 220 216 A P - 0 0 63 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 -0.201 27.5-128.8 -57.1 153.9 10.8 2.6 8.8 221 217 A V - 0 0 56 -57,-0.1 2,-0.5 1,-0.0 -56,-0.0 -0.620 13.9-102.9-109.9 165.4 13.9 4.1 10.3 222 218 A R - 0 0 166 -2,-0.2 2,-0.3 1,-0.0 -35,-0.0 -0.764 33.9-136.7 -89.6 125.2 15.1 5.1 13.7 223 219 A V - 0 0 15 -2,-0.5 2,-0.3 -58,-0.1 -56,-0.2 -0.642 15.6-139.1 -82.1 136.1 15.0 8.9 14.4 224 220 A L E -f 167 0A 4 -58,-2.3 -56,-2.4 -2,-0.3 2,-0.5 -0.717 3.9-151.2 -93.9 146.1 18.0 10.5 16.2 225 221 A Y E -f 168 0A 51 -2,-0.3 2,-0.3 -58,-0.2 -56,-0.2 -0.979 27.5-176.6-114.9 117.9 17.8 13.1 18.9 226 222 A L - 0 0 0 -58,-3.1 -55,-1.8 -2,-0.5 2,-0.3 -0.874 19.4-177.9-121.9 146.9 21.0 15.3 18.8 227 223 A S B >> -G 232 0B 0 5,-1.6 4,-1.7 -2,-0.3 5,-0.5 -0.863 16.8-166.8-142.7 114.9 22.5 18.1 20.8 228 224 A A T 45S+ 0 0 17 -2,-0.3 -1,-0.1 1,-0.2 -212,-0.0 0.818 94.5 57.9 -55.0 -34.8 25.7 20.0 20.0 229 225 A K T 45S+ 0 0 158 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.941 124.5 15.4 -67.0 -48.8 25.5 21.5 23.5 230 226 A T T 45S- 0 0 80 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.412 98.6-120.2-105.6 0.2 25.4 18.2 25.5 231 227 A R T ><5 + 0 0 71 -4,-1.7 3,-1.3 1,-0.2 4,-0.4 0.681 51.2 170.7 58.2 24.5 26.6 15.8 22.9 232 228 A E B 3 < +G 227 0B 89 -5,-0.5 -5,-1.6 1,-0.2 -1,-0.2 -0.365 61.9 8.8 -59.6 136.2 23.4 13.9 23.2 233 229 A G T 3> S+ 0 0 4 -7,-0.2 4,-1.6 1,-0.1 -1,-0.2 0.461 89.3 117.5 76.9 0.9 22.9 11.2 20.5 234 230 A F H <> S+ 0 0 0 -3,-1.3 4,-2.5 2,-0.2 5,-0.2 0.866 76.1 50.7 -66.7 -41.3 26.4 11.4 19.1 235 231 A E H > S+ 0 0 86 -4,-0.4 4,-2.6 1,-0.2 5,-0.2 0.918 108.5 53.7 -64.7 -41.8 27.2 7.8 20.0 236 232 A D H > S+ 0 0 88 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.917 110.5 46.2 -53.7 -45.7 24.0 6.7 18.3 237 233 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.897 110.8 51.1 -69.0 -43.3 25.0 8.5 15.1 238 234 A E H X S+ 0 0 33 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.944 112.8 47.8 -56.4 -46.9 28.5 7.1 15.2 239 235 A T H >X S+ 0 0 67 -4,-2.6 4,-3.2 1,-0.2 3,-1.0 0.944 110.0 51.3 -58.2 -49.9 26.9 3.6 15.6 240 236 A L H 3X S+ 0 0 27 -4,-2.9 4,-1.3 1,-0.3 -1,-0.2 0.868 106.7 55.6 -54.4 -37.9 24.5 4.3 12.8 241 237 A A H 3X S+ 0 0 0 -4,-2.3 4,-1.2 2,-0.2 -1,-0.3 0.740 112.5 41.8 -68.5 -25.7 27.5 5.3 10.7 242 238 A Y H