==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLYASE/TRANSLATION 06-DEC-07 3BK7 . COMPND 2 MOLECULE: ABC TRANSPORTER ATP-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS ABYSSI; . AUTHOR A.KARCHER,K.P.HOPFNER . 593 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27178.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 397 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 44 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 2 1 5 2 2 2 0 0 1 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 6 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 PARALLEL BRIDGES PER LADDER . 3 4 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 1 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 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 1 A M 0 0 240 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.5 -26.0 21.1 4.6 2 2 A V + 0 0 143 75,-0.0 2,-0.2 2,-0.0 0, 0.0 -0.921 360.0 155.7-157.9 178.7 -22.8 19.5 3.2 3 3 A R + 0 0 148 -2,-0.3 2,-0.3 72,-0.0 75,-0.0 -0.496 17.4 175.6 154.4 135.8 -20.7 16.3 3.4 4 4 A K - 0 0 118 72,-0.3 2,-0.3 -2,-0.2 70,-0.0 -0.859 18.5-165.9-170.3 131.7 -18.3 14.9 0.8 5 5 A M E -A 75 0A 25 70,-4.3 70,-2.9 -2,-0.3 2,-0.4 -0.836 21.8-135.0-112.4 153.6 -15.8 12.1 0.2 6 6 A R E -A 74 0A 75 -2,-0.3 2,-0.4 46,-0.3 68,-0.2 -0.849 18.7-165.8-105.7 143.2 -13.3 12.0 -2.7 7 7 A I E -A 73 0A 3 66,-2.2 66,-2.4 -2,-0.4 2,-0.5 -0.986 1.1-166.0-134.6 124.0 -12.9 8.8 -4.6 8 8 A A E +A 72 0A 0 -2,-0.4 2,-0.4 64,-0.2 64,-0.2 -0.933 8.9 176.1-115.6 128.0 -10.1 8.1 -6.9 9 9 A V E -A 71 0A 12 62,-2.0 62,-1.9 -2,-0.5 2,-0.5 -0.994 8.7-166.6-127.3 134.9 -9.9 5.3 -9.5 10 10 A I - 0 0 5 80,-1.6 2,-1.8 -2,-0.4 60,-0.2 -0.979 19.5-140.7-121.2 115.0 -7.0 4.9 -11.9 11 11 A D > - 0 0 72 -2,-0.5 3,-2.0 58,-0.5 4,-0.4 -0.602 22.2-173.1 -75.2 93.2 -7.4 2.5 -14.8 12 12 A Y G > S+ 0 0 63 -2,-1.8 3,-1.7 1,-0.3 -1,-0.2 0.825 75.9 74.1 -57.7 -33.0 -3.9 1.2 -14.5 13 13 A D G 3 S+ 0 0 157 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.612 105.2 41.7 -58.4 -6.4 -4.3 -0.8 -17.7 14 14 A K G < S+ 0 0 92 -3,-2.0 -1,-0.3 55,-0.1 2,-0.2 0.487 95.2 97.7-116.0 -10.7 -4.1 2.7 -19.3 15 15 A C < + 0 0 38 -3,-1.7 -5,-0.0 -4,-0.4 -3,-0.0 -0.571 37.8 170.6 -85.0 144.4 -1.3 4.2 -17.3 16 16 A N >> - 0 0 73 -2,-0.2 3,-2.1 1,-0.1 4,-1.1 -0.604 13.9-167.4-154.6 86.0 2.3 4.3 -18.5 17 17 A P T 34 S+ 0 0 7 0, 0.0 6,-0.8 0, 0.0 7,-0.1 0.713 86.1 58.7 -45.1 -32.8 4.7 6.4 -16.3 18 18 A D T 34 S+ 0 0 115 1,-0.2 3,-0.4 2,-0.1 4,-0.0 0.724 104.1 50.4 -75.7 -22.0 7.5 6.4 -18.9 19 19 A K T <4 S+ 0 0 150 -3,-2.1 -1,-0.2 1,-0.2 3,-0.1 0.816 108.5 49.0 -86.3 -31.4 5.4 7.9 -21.6 20 20 A C S < S- 0 0 25 -4,-1.1 2,-0.5 1,-0.3 -1,-0.2 0.149 119.6-101.2 -93.9 19.0 4.1 10.9 -19.6 21 21 A G S S- 0 0 40 -3,-0.4 2,-0.6 2,-0.1 -1,-0.3 -0.868 83.5 -21.4 98.2-129.9 7.5 11.9 -18.3 22 22 A H S S- 0 0 99 -2,-0.5 5,-0.2 1,-0.1 -4,-0.1 -0.852 122.7 -45.6-120.0 93.8 8.0 10.8 -14.8 23 23 A F > - 0 0 5 -6,-0.8 4,-1.1 -2,-0.6 3,-0.3 0.951 61.0-151.6 44.4 76.6 4.5 10.3 -13.3 24 24 A L H > S+ 0 0 35 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.753 86.1 71.2 -46.4 -25.2 3.0 13.5 -14.6 25 25 A C H > S+ 0 0 18 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.979 94.7 40.8 -55.8 -76.1 0.8 13.2 -11.6 26 26 A E H 4 S+ 0 0 87 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.751 119.7 52.3 -48.9 -27.1 3.0 14.0 -8.5 27 27 A R H < S+ 0 0 129 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.967 116.4 33.7 -74.6 -58.7 4.5 16.7 -10.7 28 28 A V H < S+ 0 0 38 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.701 93.9 112.8 -71.5 -20.4 1.3 18.5 -11.8 29 29 A C X - 0 0 8 -4,-3.1 4,-2.0 -5,-0.2 3,-0.2 -0.387 56.7-155.7 -62.5 111.4 -0.4 17.7 -8.4 30 30 A P H > S+ 0 0 24 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.882 93.1 52.3 -52.8 -46.9 -0.9 21.0 -6.4 31 31 A V H >4>S+ 0 0 32 1,-0.2 5,-0.9 2,-0.2 3,-0.7 0.896 112.2 44.7 -59.2 -42.8 -1.0 19.2 -3.0 32 32 A N H >45S+ 0 0 25 1,-0.2 3,-1.3 -3,-0.2 -1,-0.2 0.809 105.5 65.7 -69.2 -28.7 2.3 17.5 -3.8 33 33 A R H 3<5S+ 0 0 191 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.768 104.4 43.7 -61.8 -29.4 3.4 20.9 -5.0 34 34 A M T <<5S- 0 0 138 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.1 -0.266 134.3 -84.1-112.3 43.6 3.1 22.2 -1.4 35 35 A G T < 5S+ 0 0 79 -3,-1.3 2,-0.2 1,-0.2 -3,-0.2 0.910 86.8 133.2 58.3 50.4 4.8 19.2 0.3 36 36 A G < - 0 0 25 -5,-0.9 3,-0.2 -6,-0.1 -1,-0.2 -0.765 58.4-127.5-124.8 171.7 1.8 16.9 0.5 37 37 A E + 0 0 119 -2,-0.2 14,-0.3 1,-0.2 3,-0.2 -0.381 59.5 125.4-116.7 54.6 1.0 13.3 -0.3 38 38 A A S S+ 0 0 2 1,-0.3 13,-3.2 16,-0.1 2,-0.5 0.952 83.5 30.7 -72.8 -49.2 -2.1 13.3 -2.5 39 39 A I E S-B 50 0B 8 11,-0.3 2,-0.3 -3,-0.2 -1,-0.3 -0.950 77.7-172.9-116.1 118.4 -0.4 11.2 -5.2 40 40 A I E -B 49 0B 48 9,-3.6 9,-3.0 -2,-0.5 2,-0.5 -0.825 20.4-124.7-110.1 148.0 2.2 8.7 -4.1 41 41 A I E -B 48 0B 30 -2,-0.3 2,-1.4 7,-0.2 5,-0.0 -0.795 4.8-150.2 -97.1 127.8 4.5 6.6 -6.2 42 42 A D E >> -B 47 0B 28 5,-2.9 2,-2.3 -2,-0.5 4,-1.2 -0.740 17.4-168.9 -92.7 85.4 4.6 2.8 -5.9 43 43 A E T 45S+ 0 0 155 -2,-1.4 -1,-0.1 3,-0.2 -2,-0.1 -0.483 75.9 44.0 -77.6 70.2 8.2 2.5 -6.9 44 44 A E T 45S+ 0 0 166 -2,-2.3 -1,-0.2 3,-0.1 -2,-0.1 -0.079 119.3 33.4-169.3 -66.8 8.1 -1.3 -7.3 45 45 A N T 45S- 0 0 105 2,-0.1 -2,-0.2 0, 0.0 -3,-0.0 0.512 107.3-131.6 -80.6 -3.2 4.9 -2.2 -9.1 46 46 A Y T <5 + 0 0 84 -4,-1.2 -3,-0.2 1,-0.2 -5,-0.0 0.952 61.1 123.0 50.1 64.8 5.6 1.1 -10.9 47 47 A K E < -B 42 0B 58 -5,-1.1 -5,-2.9 -31,-0.1 2,-0.3 -0.901 60.1-115.1-141.8 164.7 2.1 2.7 -10.6 48 48 A P E -B 41 0B 4 0, 0.0 2,-0.4 0, 0.0 -7,-0.2 -0.748 26.4-157.1-102.5 155.1 0.9 5.9 -9.1 49 49 A I E -B 40 0B 34 -9,-3.0 -9,-3.6 -2,-0.3 2,-0.6 -0.993 7.4-146.3-136.2 132.7 -1.4 5.9 -6.1 50 50 A I E -B 39 0B 6 -2,-0.4 2,-1.5 -11,-0.2 -11,-0.3 -0.858 8.7-148.3-100.5 119.3 -3.9 8.6 -5.0 51 51 A Q >> - 0 0 76 -13,-3.2 3,-3.7 -2,-0.6 4,-0.6 -0.695 8.5-162.0 -85.8 89.6 -4.3 8.9 -1.2 52 52 A E T 34 S+ 0 0 56 -2,-1.5 -46,-0.3 1,-0.3 -1,-0.2 0.638 83.0 78.2 -46.3 -17.8 -7.9 10.0 -1.2 53 53 A A T 34 S+ 0 0 102 -16,-0.1 -1,-0.3 -15,-0.1 -15,-0.1 0.686 111.4 21.9 -67.8 -16.8 -7.3 11.2 2.3 54 54 A S T <4 S+ 0 0 46 -3,-3.7 -2,-0.2 -16,-0.2 -16,-0.1 0.668 86.2 110.2-109.9 -85.7 -5.6 14.2 0.7 55 55 A C < - 0 0 13 -4,-0.6 -49,-0.1 1,-0.2 -5,-0.0 0.553 53.0-152.0 3.1 112.8 -6.6 14.9 -2.9 56 56 A T - 0 0 76 1,-0.0 -1,-0.2 -50,-0.0 -4,-0.0 0.645 35.5-120.1 -75.7 -14.0 -8.6 18.1 -2.8 57 57 A G + 0 0 18 -51,-0.0 17,-0.1 1,-0.0 15,-0.1 0.690 67.6 143.8 80.7 18.7 -10.5 16.8 -5.9 58 58 A C - 0 0 69 1,-0.1 -3,-0.0 4,-0.0 14,-0.0 0.749 52.7-141.6 -61.4 -25.1 -9.2 19.8 -7.8 59 59 A G > + 0 0 12 3,-0.0 4,-1.4 1,-0.0 5,-0.1 0.665 60.3 128.9 72.9 18.6 -9.0 17.5 -10.8 60 60 A I H > S+ 0 0 64 1,-0.2 4,-2.2 2,-0.2 3,-0.4 0.965 73.9 51.8 -68.1 -49.1 -5.8 18.9 -12.3 61 61 A C H > S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.835 107.2 56.0 -53.5 -35.7 -4.1 15.5 -12.5 62 62 A V H 4 S+ 0 0 32 1,-0.2 -1,-0.2 2,-0.2 8,-0.2 0.899 108.4 44.8 -64.8 -44.9 -7.2 14.2 -14.4 63 63 A H H < S+ 0 0 159 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.860 115.0 49.9 -69.1 -35.9 -7.0 16.8 -17.1 64 64 A K H < S+ 0 0 116 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.914 74.4 112.7 -71.5 -45.5 -3.3 16.3 -17.5 65 65 A C < - 0 0 23 -4,-2.3 5,-0.1 1,-0.2 -3,-0.0 0.016 67.5-138.5 -36.2 108.4 -3.1 12.5 -17.8 66 66 A P S S+ 0 0 71 0, 0.0 -1,-0.2 0, 0.0 -51,-0.0 0.655 95.8 21.1 -47.9 -18.2 -2.0 12.1 -21.5 67 67 A F S S- 0 0 58 385,-0.0 -52,-0.1 -47,-0.0 385,-0.1 0.506 107.4-100.6-113.3 -94.8 -4.5 9.2 -21.8 68 68 A N + 0 0 62 -54,-0.2 -57,-0.1 -57,-0.1 -53,-0.1 0.094 64.9 141.1 165.9 52.4 -7.3 9.2 -19.2 69 69 A A + 0 0 3 -55,-0.2 -58,-0.5 -59,-0.1 2,-0.4 0.186 58.0 78.5 -92.4 13.2 -6.2 6.7 -16.6 70 70 A I + 0 0 5 -60,-0.2 2,-0.4 -8,-0.2 -60,-0.2 -0.984 46.9 172.1-133.0 137.6 -7.6 8.9 -13.8 71 71 A S E -A 9 0A 19 -62,-1.9 -62,-2.0 -2,-0.4 2,-0.4 -0.995 5.9-175.9-138.3 132.1 -11.0 9.7 -12.5 72 72 A I E -A 8 0A 30 -2,-0.4 2,-0.4 -64,-0.2 -64,-0.2 -0.989 9.1-178.0-131.9 118.9 -11.7 11.7 -9.3 73 73 A V E -A 7 0A 20 -66,-2.4 -66,-2.2 -2,-0.4 2,-0.7 -0.934 21.8-141.8-122.3 146.4 -15.2 12.1 -8.1 74 74 A N E +A 6 0A 56 -2,-0.4 -68,-0.2 -68,-0.2 -2,-0.0 -0.914 29.8 176.3-106.5 109.3 -16.7 14.0 -5.1 75 75 A L E -A 5 0A 14 -70,-2.9 -70,-4.3 -2,-0.7 2,-0.2 -0.758 33.7 -99.9-112.4 158.8 -19.5 12.1 -3.5 76 76 A P > - 0 0 64 0, 0.0 3,-1.2 0, 0.0 2,-0.4 -0.538 36.1-115.0 -76.9 138.7 -21.5 12.8 -0.4 77 77 A E T 3 S+ 0 0 87 1,-0.2 -75,-0.0 -2,-0.2 0, 0.0 -0.637 97.1 73.0 -72.9 127.8 -20.5 11.1 2.9 78 78 A Q T > S+ 0 0 98 -2,-0.4 3,-1.2 -3,-0.0 -1,-0.2 -0.219 84.7 65.7 159.0 -43.0 -23.5 8.8 3.7 79 79 A L G X S+ 0 0 12 -3,-1.2 3,-2.8 1,-0.3 4,-0.4 0.772 85.5 74.9 -70.3 -26.8 -22.8 6.3 1.0 80 80 A D G 3 S+ 0 0 75 -4,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.775 96.6 49.9 -57.1 -20.9 -19.7 5.5 3.0 81 81 A E G < S+ 0 0 150 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.388 111.5 46.3 -96.6 0.8 -22.1 3.8 5.3 82 82 A D S < S+ 0 0 68 -3,-2.8 14,-2.5 14,-0.0 2,-0.2 0.074 78.6 140.2-124.9 15.4 -23.8 1.8 2.5 83 83 A a E +C 95 0C 20 -4,-0.4 12,-0.2 -3,-0.3 3,-0.1 -0.463 22.4 174.4 -63.8 127.7 -20.5 0.7 0.9 84 84 A V E - 0 0 4 10,-2.6 47,-1.7 1,-0.3 2,-0.3 0.787 56.2 -9.6-106.7 -37.1 -20.8 -2.9 -0.2 85 85 A H E -C 94 0C 9 9,-1.6 9,-3.5 46,-0.3 2,-0.4 -0.917 45.5-172.9-168.4 139.0 -17.6 -3.7 -2.1 86 86 A R E -C 93 0C 37 -2,-0.3 7,-0.2 7,-0.3 47,-0.1 -0.997 23.1-141.2-133.4 135.9 -14.4 -2.3 -3.5 87 87 A Y - 0 0 121 5,-2.7 2,-0.2 -2,-0.4 5,-0.1 0.264 64.8 -77.4 -83.1 15.9 -11.9 -4.2 -5.6 88 88 A G S > S- 0 0 36 4,-0.2 3,-2.3 3,-0.2 2,-0.3 -0.735 82.0 -4.4 126.6-176.2 -8.9 -2.5 -4.0 89 89 A V T 3 S- 0 0 97 1,-0.3 3,-0.1 -2,-0.2 -38,-0.1 -0.379 133.0 -9.2 -58.7 116.6 -6.8 0.7 -3.9 90 90 A N T 3 S+ 0 0 6 -2,-0.3 -80,-1.6 1,-0.2 -1,-0.3 0.712 111.9 127.8 65.4 19.6 -8.0 3.2 -6.5 91 91 A A < - 0 0 24 -3,-2.3 -1,-0.2 -82,-0.2 -3,-0.2 -0.465 69.2 -68.2 -99.8 175.6 -10.2 0.4 -7.9 92 92 A F - 0 0 24 -2,-0.1 -5,-2.7 -5,-0.1 2,-0.4 -0.331 49.5-163.0 -63.3 142.8 -14.0 0.3 -8.6 93 93 A V E -Cd 86 294C 0 200,-1.9 202,-1.6 -7,-0.2 2,-0.4 -0.984 5.8-149.4-132.4 141.9 -16.4 0.4 -5.7 94 94 A L E -Cd 85 295C 0 -9,-3.5 -10,-2.6 -2,-0.4 -9,-1.6 -0.894 5.7-158.7-114.1 141.0 -20.1 -0.5 -5.3 95 95 A Y E -Cd 83 296C 6 200,-3.1 202,-1.9 -2,-0.4 -12,-0.2 -0.949 53.8 -9.5-119.6 136.4 -22.8 1.1 -3.0 96 96 A R - 0 0 64 -14,-2.5 -12,-0.1 -2,-0.4 202,-0.1 0.237 67.9-114.4 65.0 167.1 -26.1 -0.5 -2.0 97 97 A L - 0 0 14 200,-0.1 2,-0.1 199,-0.1 -1,-0.0 -0.964 19.4-107.8-138.8 154.5 -27.7 -3.7 -3.2 98 98 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 201,-0.1 -0.397 36.7-115.5 -77.2 157.7 -30.9 -4.7 -5.1 99 99 A I - 0 0 16 -2,-0.1 2,-0.4 2,-0.0 184,-0.1 -0.824 18.4-148.3-100.3 132.9 -33.8 -6.4 -3.3 100 100 A V - 0 0 21 -2,-0.4 2,-0.5 168,-0.1 168,-0.1 -0.831 15.9-161.5 -99.1 133.1 -34.9 -10.0 -4.2 101 101 A K > - 0 0 51 -2,-0.4 3,-1.8 166,-0.3 166,-0.5 -0.956 20.4-119.3-124.5 126.2 -38.6 -10.8 -3.8 102 102 A D T 3 S+ 0 0 91 -2,-0.5 164,-0.2 1,-0.3 163,-0.2 -0.285 100.2 12.2 -56.9 130.3 -40.4 -14.2 -3.5 103 103 A G T 3 S+ 0 0 28 1,-0.2 2,-0.3 161,-0.2 -1,-0.3 0.565 114.4 84.5 78.5 11.4 -42.8 -14.6 -6.3 104 104 A M S < S- 0 0 63 -3,-1.8 163,-3.3 160,-0.1 2,-0.6 -0.908 72.7-118.1-141.1 168.6 -41.7 -11.7 -8.5 105 105 A V E -f 267 0D 0 -2,-0.3 177,-3.7 175,-0.2 178,-1.6 -0.926 24.6-163.4-110.7 110.7 -39.2 -10.5 -11.1 106 106 A V E -fg 268 283D 0 161,-3.0 163,-2.2 -2,-0.6 178,-0.2 -0.835 13.3-153.3 -95.7 113.3 -36.9 -7.7 -9.9 107 107 A G E -fg 269 284D 0 176,-3.0 178,-1.6 -2,-0.7 2,-0.4 -0.488 5.7-156.0 -86.6 157.2 -35.2 -6.1 -12.9 108 108 A I E +fg 270 285D 0 161,-2.3 163,-2.1 176,-0.2 2,-0.4 -0.989 14.5 176.1-133.3 127.0 -31.8 -4.3 -12.9 109 109 A V E + g 0 286D 2 176,-2.4 178,-1.7 -2,-0.4 163,-0.1 -0.979 20.0 100.9-136.1 146.4 -30.8 -1.6 -15.4 110 110 A G - 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0 0 28 -46,-0.1 3,-2.5 6,-0.1 5,-1.2 0.279 27.9-129.1 -97.7 10.1 -15.6 -6.9 1.5 131 131 A L T 3 5 - 0 0 32 -47,-1.7 -46,-0.3 1,-0.3 -48,-0.1 0.778 62.1 -70.9 48.8 32.0 -17.6 -3.9 2.7 132 132 A a T 3 5S+ 0 0 39 -48,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.881 127.0 80.1 52.8 38.1 -14.9 -1.7 1.2 133 133 A E T < 5S- 0 0 148 -3,-2.5 -1,-0.2 -47,-0.1 -47,-0.1 -0.382 108.8 -78.1-141.2-143.1 -12.7 -2.9 4.0 134 134 A D T 5S+ 0 0 134 -2,-0.2 -3,-0.1 -3,-0.1 -4,-0.0 0.071 72.1 152.2-119.8 25.0 -10.8 -6.2 4.3 135 135 A N < + 0 0 11 -5,-1.2 -2,-0.1 1,-0.1 -3,-0.1 -0.239 18.0 168.3 -60.2 139.2 -13.8 -8.3 5.2 136 136 A D + 0 0 130 -6,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.168 50.6 78.5-136.2 14.7 -13.8 -12.0 4.3 137 137 A S > - 0 0 28 -8,-0.2 4,-0.5 1,-0.1 -2,-0.0 -0.876 67.2-136.2-128.3 161.4 -16.8 -13.4 6.3 138 138 A W H > S+ 0 0 41 -2,-0.3 4,-3.1 2,-0.2 5,-0.2 0.811 101.7 64.5 -81.8 -31.3 -20.5 -13.6 6.0 139 139 A D H > S+ 0 0 78 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.911 101.2 49.2 -58.9 -43.6 -21.1 -12.8 9.6 140 140 A N H > S+ 0 0 56 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.838 113.0 50.5 -64.7 -29.0 -19.6 -9.3 9.2 141 141 A V H X S+ 0 0 0 -4,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.943 108.0 50.2 -70.6 -51.7 -21.9 -9.0 6.2 142 142 A I H < S+ 0 0 21 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.905 111.4 50.4 -52.5 -46.1 -25.0 -10.1 8.2 143 143 A R H >< S+ 0 0 162 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.927 107.0 53.3 -60.2 -46.0 -24.1 -7.5 10.8 144 144 A A H 3< S+ 0 0 63 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.839 110.7 48.1 -59.7 -33.5 -23.7 -4.8 8.3 145 145 A F T >< S+ 0 0 23 -4,-1.9 3,-1.6 -3,-0.1 6,-0.6 0.108 77.6 141.6 -95.9 23.3 -27.2 -5.5 6.9 146 146 A R T < S+ 0 0 205 -3,-1.8 3,-0.1 1,-0.3 -3,-0.1 -0.470 74.4 19.2 -65.5 129.8 -28.9 -5.6 10.3 147 147 A G T 3 S+ 0 0 76 1,-0.4 -1,-0.3 -2,-0.2 2,-0.2 0.072 102.8 105.8 98.4 -26.0 -32.3 -3.9 9.9 148 148 A N S X S- 0 0 67 -3,-1.6 3,-1.4 1,-0.1 -1,-0.4 -0.556 82.3-120.8 -83.7 153.3 -32.3 -4.4 6.2 149 149 A E T 3> S+ 0 0 115 1,-0.3 4,-0.6 -2,-0.2 3,-0.2 0.595 111.9 66.3 -71.7 -5.6 -34.6 -7.0 4.8 150 150 A L H 3> S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.669 76.7 83.5 -86.7 -17.6 -31.4 -8.6 3.3 151 151 A Q H <> S+ 0 0 42 -3,-1.4 4,-1.2 -6,-0.6 -1,-0.2 0.894 96.4 42.4 -51.5 -42.9 -30.0 -9.4 6.7 152 152 A N H > S+ 0 0 85 -4,-0.4 4,-2.4 -3,-0.2 -1,-0.2 0.881 108.7 57.5 -72.3 -39.8 -32.1 -12.6 6.8 153 153 A Y H X S+ 0 0 8 -4,-0.6 4,-2.5 1,-0.2 -2,-0.2 0.938 110.5 45.4 -54.0 -48.3 -31.3 -13.5 3.2 154 154 A F H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.773 107.0 56.5 -68.8 -30.1 -27.6 -13.4 4.0 155 155 A E H X S+ 0 0 65 -4,-1.2 4,-2.0 -5,-0.3 -1,-0.2 0.944 114.8 40.9 -65.0 -45.1 -28.1 -15.4 7.3 156 156 A R H X>S+ 0 0 65 -4,-2.4 5,-1.7 1,-0.2 4,-1.5 0.870 110.2 58.3 -67.7 -39.4 -29.7 -18.1 5.1 157 157 A L H <5S+ 0 0 17 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.856 110.8 42.5 -60.1 -36.3 -27.1 -17.6 2.4 158 158 A K H <5S+ 0 0 88 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.871 108.2 58.4 -79.4 -36.8 -24.3 -18.5 4.8 159 159 A N H <5S- 0 0 99 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.785 111.3-119.4 -61.9 -26.9 -26.2 -21.4 6.4 160 160 A G T <5S+ 0 0 40 -4,-1.5 -3,-0.2 2,-0.2 -4,-0.1 0.618 78.2 125.0 94.5 15.7 -26.4 -23.0 3.0 161 161 A E S + 0 0 134 1,-0.2 3,-0.6 2,-0.1 4,-0.2 -0.496 55.3 162.7 -71.3 89.1 -20.5 -14.4 -20.7 171 171 A V G > + 0 0 2 -2,-1.4 3,-1.2 1,-0.2 -1,-0.2 0.684 62.5 80.2 -80.0 -20.1 -22.1 -17.3 -22.6 172 172 A D G 3 S+ 0 0 73 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.242 89.5 55.3 -73.1 17.3 -19.2 -17.3 -25.0 173 173 A L G X S+ 0 0 95 -3,-0.6 3,-0.7 2,-0.1 -1,-0.2 0.545 80.6 86.7-120.3 -19.1 -17.1 -19.3 -22.5 174 174 A L G X> S+ 0 0 36 -3,-1.2 4,-1.4 1,-0.2 3,-1.1 0.898 84.4 57.9 -47.8 -49.8 -19.5 -22.2 -22.0 175 175 A P G 34 S+ 0 0 21 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.874 104.7 51.9 -51.4 -42.3 -18.1 -24.1 -25.0 176 176 A K G <4 S+ 0 0 164 -3,-0.7 -2,-0.1 1,-0.2 3,-0.1 -0.251 111.3 45.8 -92.8 47.1 -14.6 -24.1 -23.5 177 177 A A T <4 S+ 0 0 84 -3,-1.1 2,-0.2 -2,-0.6 -1,-0.2 0.348 112.6 38.5-152.7 -28.4 -15.7 -25.5 -20.1 178 178 A V < - 0 0 50 -4,-1.4 -1,-0.4 -3,-0.2 2,-0.3 -0.681 64.9-149.2-123.5 176.1 -18.0 -28.4 -21.1 179 179 A K + 0 0 151 -2,-0.2 2,-0.2 -3,-0.1 6,-0.1 -0.972 47.6 44.0-146.3 159.4 -18.0 -31.1 -23.8 180 180 A G S S- 0 0 18 -2,-0.3 32,-1.6 4,-0.1 2,-0.1 -0.556 84.5 -47.6 104.5-170.6 -20.6 -33.1 -25.7 181 181 A K B > -K 211 0E 92 30,-0.2 4,-1.2 -2,-0.2 30,-0.2 -0.306 53.7-101.0 -94.0-179.9 -23.8 -32.2 -27.5 182 182 A V H > S+ 0 0 0 28,-1.6 4,-1.7 26,-0.7 5,-0.2 0.846 115.9 61.9 -73.2 -34.1 -26.8 -30.2 -26.2 183 183 A R H > S+ 0 0 98 25,-2.3 4,-0.9 27,-0.2 -1,-0.2 0.905 104.4 49.2 -57.8 -43.5 -28.9 -33.2 -25.4 184 184 A E H >> S+ 0 0 104 24,-0.3 4,-2.0 2,-0.2 3,-0.9 0.962 109.3 46.7 -61.8 -59.5 -26.4 -34.4 -22.8 185 185 A L H 3X S+ 0 0 24 -4,-1.2 4,-2.3 1,-0.3 5,-0.3 0.896 111.9 51.5 -52.7 -45.9 -25.8 -31.3 -20.8 186 186 A L H 3< S+ 0 0 0 -4,-1.7 4,-0.5 1,-0.2 -1,-0.3 0.740 107.3 54.7 -66.7 -22.9 -29.6 -30.5 -20.5 187 187 A K H X< S+ 0 0 122 -4,-0.9 3,-0.7 -3,-0.9 -2,-0.2 0.978 112.1 41.8 -71.7 -57.4 -30.2 -34.0 -19.2 188 188 A K H 3< S+ 0 0 161 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.1 0.951 115.7 47.0 -52.1 -61.9 -27.7 -33.8 -16.4 189 189 A V T 3< S+ 0 0 13 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.657 90.1 110.5 -58.5 -16.8 -28.6 -30.2 -15.3 190 190 A D < + 0 0 40 -3,-0.7 41,-0.2 -4,-0.5 40,-0.1 -0.360 28.5 151.9 -62.2 138.9 -32.3 -31.2 -15.5 191 191 A E + 0 0 97 39,-2.2 40,-0.2 -2,-0.0 -1,-0.1 0.313 69.3 48.7-149.3 1.1 -33.9 -31.4 -12.0 192 192 A V S S- 0 0 58 38,-0.6 39,-0.1 40,-0.0 -2,-0.1 0.362 104.5-117.9-123.1 -3.7 -37.6 -30.6 -12.5 193 193 A G S S+ 0 0 54 37,-0.3 -6,-0.0 -6,-0.1 37,-0.0 0.995 72.6 123.6 61.6 77.5 -38.1 -33.0 -15.4 194 194 A K > + 0 0 77 2,-0.1 4,-1.8 36,-0.1 5,-0.4 -0.013 10.7 141.7-155.5 34.5 -39.0 -30.7 -18.3 195 195 A F H > S+ 0 0 37 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.824 81.7 45.8 -49.2 -33.2 -36.5 -31.5 -21.0 196 196 A E H > S+ 0 0 162 2,-0.2 4,-1.8 3,-0.1 5,-0.2 0.952 109.8 46.9 -77.8 -54.7 -39.4 -31.1 -23.4 197 197 A E H > S+ 0 0 84 2,-0.2 4,-3.0 1,-0.2 3,-0.3 0.966 119.2 42.1 -51.5 -59.0 -41.2 -27.9 -22.3 198 198 A V H X S+ 0 0 3 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.954 114.3 48.3 -52.8 -62.6 -37.9 -26.0 -22.1 199 199 A V H <>S+ 0 0 7 -4,-1.3 5,-4.2 -5,-0.4 6,-0.6 0.753 116.9 46.6 -53.8 -26.0 -36.3 -27.3 -25.3 200 200 A K H ><5S+ 0 0 149 -4,-1.8 3,-2.4 -3,-0.3 -2,-0.2 0.945 110.1 46.8 -83.5 -53.5 -39.5 -26.6 -27.1 201 201 A E H 3<5S+ 0 0 43 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.831 116.7 47.0 -58.1 -32.8 -40.4 -23.0 -25.9 202 202 A L T 3<5S- 0 0 1 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.257 113.3-126.8 -90.8 9.6 -36.7 -22.1 -26.6 203 203 A E T < 5 + 0 0 82 -3,-2.4 -3,-0.2 -5,-0.2 4,-0.2 0.898 60.5 144.8 44.2 58.5 -37.1 -23.8 -29.9 204 204 A L >< + 0 0 0 -5,-4.2 4,-1.7 1,-0.1 -4,-0.2 0.412 25.1 113.4-103.7 0.1 -34.0 -26.0 -29.4 205 205 A E T 4 S+ 0 0 101 -6,-0.6 4,-0.3 1,-0.2 -1,-0.1 0.812 81.8 42.3 -39.4 -47.5 -35.2 -29.1 -31.1 206 206 A N T >4 S+ 0 0 151 -3,-0.2 3,-1.3 1,-0.2 -1,-0.2 1.000 109.9 51.8 -67.0 -68.6 -32.6 -28.9 -33.9 207 207 A V G >4 S+ 0 0 7 1,-0.3 3,-3.4 -4,-0.2 -25,-0.5 0.692 84.5 94.7 -39.1 -32.6 -29.5 -27.9 -32.0 208 208 A L G 3< S+ 0 0 9 -4,-1.7 -25,-2.3 1,-0.3 -26,-0.7 0.762 87.5 41.5 -32.8 -49.5 -30.0 -30.8 -29.6 209 209 A D G < S+ 0 0 102 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.1 0.371 101.5 88.3 -88.5 5.5 -27.7 -33.2 -31.5 210 210 A R S < S- 0 0 98 -3,-3.4 -28,-1.6 -4,-0.2 2,-0.3 -0.437 78.2-105.3 -95.3 173.6 -25.0 -30.6 -32.2 211 211 A E B > -K 181 0E 63 -30,-0.2 3,-1.4 -2,-0.1 4,-0.2 -0.704 21.6-110.6-107.3 156.9 -22.0 -29.7 -30.0 212 212 A L G > S+ 0 0 4 -32,-1.6 3,-1.4 1,-0.3 -36,-0.1 0.865 117.2 45.9 -44.4 -52.0 -21.2 -26.8 -27.8 213 213 A H G 3 S+ 0 0 126 1,-0.3 -1,-0.3 -38,-0.2 -37,-0.0 0.698 106.3 60.4 -71.2 -17.7 -18.4 -25.4 -30.0 214 214 A Q G < S+ 0 0 105 -3,-1.4 -1,-0.3 -39,-0.0 -2,-0.2 0.345 89.6 99.5 -90.5 8.5 -20.5 -25.8 -33.1 215 215 A L < - 0 0 20 -3,-1.4 2,-0.1 -4,-0.2 -3,-0.0 -0.550 65.6-133.4 -93.4 157.9 -23.2 -23.4 -31.7 216 216 A S > - 0 0 60 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.299 35.0 -92.7 -97.6-174.9 -23.7 -19.7 -32.4 217 217 A G H > S+ 0 0 18 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.976 125.8 46.2 -64.2 -54.3 -24.2 -16.8 -30.0 218 218 A G H > S+ 0 0 10 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.925 117.4 43.9 -53.4 -47.9 -28.0 -17.0 -30.1 219 219 A E H > S+ 0 0 33 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.965 113.8 49.4 -62.3 -52.6 -27.9 -20.8 -29.7 220 220 A L H X S+ 0 0 9 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.917 111.7 50.8 -51.1 -49.6 -25.3 -20.7 -26.9 221 221 A Q H >X S+ 0 0 0 -4,-3.2 4,-2.1 -5,-0.2 3,-0.7 0.961 111.2 47.7 -52.6 -56.7 -27.3 -18.1 -25.1 222 222 A R H 3X S+ 0 0 25 -4,-2.6 4,-2.4 1,-0.3 -1,-0.2 0.840 106.1 55.9 -57.8 -38.1 -30.4 -20.2 -25.4 223 223 A V H 3X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -1,-0.3 0.853 109.2 50.3 -63.8 -31.0 -28.8 -23.4 -24.2 224 224 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 3,-0.5 0.948 104.5 49.5 -57.2 -59.0 -32.4 -23.6 -20.8 227 227 A A H 3X S+ 0 0 17 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.798 110.3 56.1 -54.9 -27.1 -30.0 -25.3 -18.3 228 228 A A H >< S+ 0 0 5 -4,-1.5 3,-0.6 1,-0.2 -1,-0.2 0.887 106.7 45.8 -73.8 -40.1 -31.2 -22.6 -15.9 229 229 A L H << S+ 0 0 20 -4,-1.7 -1,-0.2 -3,-0.5 -2,-0.2 0.720 107.2 60.4 -75.0 -20.1 -34.9 -23.4 -16.1 230 230 A L H 3< S+ 0 0 0 -4,-1.7 -39,-2.2 -5,-0.2 -38,-0.6 0.691 85.8 97.5 -79.2 -18.3 -34.1 -27.1 -15.8 231 231 A R S << S- 0 0 88 -3,-0.6 2,-1.0 -4,-0.5 -41,-0.1 -0.465 74.5-134.9 -73.2 141.5 -32.6 -26.5 -12.4 232 232 A K + 0 0 154 -2,-0.2 2,-0.2 -42,-0.1 -1,-0.1 -0.808 58.5 112.5 -99.9 93.7 -34.8 -27.1 -9.4 233 233 A A - 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