==== 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 ACETYLTRANSFERASE 11-MAR-98 2XAT . COMPND 2 MOLECULE: XENOBIOTIC ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR T.W.BEAMAN,M.SUGANTINO,S.L.RODERICK . 208 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 26 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 7 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 1 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 3 A N 0 0 111 0, 0.0 35,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 127.5 64.2 51.9 55.3 2 4 A Y + 0 0 92 33,-2.0 2,-0.4 29,-0.2 34,-0.1 0.732 360.0 60.9 -57.9 -23.2 65.0 48.5 56.7 3 5 A F - 0 0 4 28,-0.2 6,-0.1 29,-0.1 32,-0.0 -0.853 67.9-154.4-111.6 144.8 66.5 47.7 53.2 4 6 A E S S+ 0 0 146 -2,-0.4 -1,-0.1 4,-0.3 5,-0.1 0.713 77.9 10.9 -88.2 -21.5 69.3 49.4 51.5 5 7 A S > - 0 0 33 3,-0.5 3,-1.3 1,-0.1 -1,-0.2 -0.998 61.4-125.8-156.5 151.5 68.3 48.6 47.9 6 8 A P T 3 S+ 0 0 34 0, 0.0 26,-0.1 0, 0.0 59,-0.1 0.756 109.9 59.8 -69.3 -18.3 65.4 47.2 45.9 7 9 A F T 3 S+ 0 0 185 1,-0.2 2,-0.2 25,-0.0 23,-0.0 0.177 101.9 51.4 -96.1 17.4 67.9 44.7 44.4 8 10 A R < - 0 0 51 -3,-1.3 -3,-0.5 2,-0.0 -4,-0.3 -0.754 62.2-175.5-157.5 105.5 69.0 42.9 47.6 9 11 A G - 0 0 29 -2,-0.2 2,-0.4 21,-0.1 21,-0.3 -0.335 23.3-116.6 -92.4 178.1 66.7 41.5 50.3 10 12 A K E -A 29 0A 61 19,-1.7 19,-1.6 -2,-0.1 5,-0.1 -0.933 32.2 -92.1-122.8 145.7 67.6 39.9 53.6 11 13 A L E -A 28 0A 80 -2,-0.4 3,-0.3 17,-0.2 17,-0.3 0.023 24.4-133.0 -47.5 151.6 67.1 36.4 54.9 12 14 A L S >> S+ 0 0 0 15,-2.2 4,-2.6 12,-0.2 3,-2.3 0.926 106.7 61.7 -73.0 -44.0 64.0 35.6 56.9 13 15 A S T 34 S+ 0 0 76 14,-0.5 -1,-0.2 11,-0.3 -2,-0.1 0.691 104.9 49.6 -54.7 -20.2 66.1 33.9 59.5 14 16 A E T 34 S+ 0 0 73 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.2 0.389 121.0 27.6-103.7 4.1 67.8 37.2 60.2 15 17 A Q T <4 S+ 0 0 11 -3,-2.3 24,-0.4 -4,-0.1 -2,-0.2 0.540 88.3 103.2-135.7 -20.6 64.8 39.6 60.5 16 18 A V < + 0 0 31 -4,-2.6 22,-0.0 1,-0.2 6,-0.0 -0.342 32.7 160.1 -64.1 151.9 61.8 37.5 61.8 17 19 A S + 0 0 92 1,-0.1 -1,-0.2 -3,-0.0 -4,-0.0 0.456 36.5 101.5-147.1 -26.5 61.2 38.1 65.5 18 20 A N > - 0 0 18 1,-0.2 3,-1.7 2,-0.1 -1,-0.1 -0.525 68.6-137.2 -68.2 130.7 57.7 37.0 66.3 19 21 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 27,-0.0 0.688 99.9 63.7 -63.0 -16.1 57.9 33.5 67.9 20 22 A N T 3 S+ 0 0 10 1,-0.1 35,-1.8 25,-0.1 2,-0.6 0.293 84.1 84.2 -93.2 12.4 54.9 32.4 65.9 21 23 A I E < -g 55 0B 11 -3,-1.7 2,-0.7 33,-0.2 35,-0.2 -0.942 59.6-170.9-115.1 109.3 56.7 32.8 62.5 22 24 A R E -g 56 0B 58 33,-1.8 35,-2.4 -2,-0.6 2,-0.3 -0.863 10.1-172.9-103.8 106.4 58.8 29.7 61.7 23 25 A V E -g 57 0B 40 -2,-0.7 35,-0.2 33,-0.2 36,-0.1 -0.711 12.6-136.2-101.9 152.3 61.0 30.3 58.7 24 26 A G > - 0 0 21 34,-1.2 3,-0.5 33,-0.8 -11,-0.3 -0.382 39.1 -67.3 -95.6 177.1 63.2 27.8 56.7 25 27 A R T 3 S+ 0 0 86 1,-0.2 35,-2.6 -2,-0.1 2,-0.3 -0.253 109.9 2.0 -68.7 149.0 66.7 28.2 55.3 26 28 A Y T 3 S+ 0 0 112 1,-0.2 -1,-0.2 33,-0.2 33,-0.1 0.207 91.2 135.8 64.3 -18.4 67.7 30.5 52.5 27 29 A S < + 0 0 1 -3,-0.5 -15,-2.2 -2,-0.3 -14,-0.5 -0.307 33.9 176.9 -56.8 142.6 64.1 31.7 52.4 28 30 A Y E -Ab 11 62A 88 33,-2.2 35,-2.7 -17,-0.3 2,-0.4 -0.938 29.1-142.6-148.8 171.0 64.2 35.5 52.1 29 31 A Y E -Ab 10 63A 0 -19,-1.6 -19,-1.7 -2,-0.3 2,-0.7 -0.990 4.3-165.2-141.3 126.9 62.1 38.7 51.7 30 32 A S E + b 0 64A 26 33,-1.9 35,-0.8 -2,-0.4 3,-0.2 -0.841 25.3 153.0-114.6 93.7 63.0 41.8 49.7 31 33 A G > + 0 0 0 -2,-0.7 3,-1.4 34,-0.2 4,-0.3 -0.315 16.5 133.6-120.1 53.3 60.7 44.6 50.8 32 34 A Y G > S+ 0 0 89 1,-0.3 3,-0.9 -27,-0.2 -1,-0.2 0.851 75.2 61.0 -64.8 -34.8 62.6 47.9 50.1 33 35 A Y G 3 S+ 0 0 155 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.357 114.2 34.1 -77.2 7.9 59.4 49.2 48.5 34 36 A H G < S- 0 0 63 -3,-1.4 2,-2.6 2,-0.1 -1,-0.2 0.219 92.6-147.3-141.4 5.3 57.6 48.8 51.8 35 37 A G < + 0 0 26 -3,-0.9 -33,-2.0 -4,-0.3 2,-0.2 0.100 57.7 108.7 50.4 -23.0 60.4 49.6 54.2 36 38 A H S S- 0 0 57 -2,-2.6 30,-0.2 -5,-0.1 -2,-0.1 -0.572 70.7-108.1 -91.2 152.5 59.3 47.2 57.0 37 39 A S > - 0 0 22 -2,-0.2 3,-1.3 1,-0.1 4,-0.3 -0.195 42.0 -95.9 -66.4 160.8 61.0 44.0 58.2 38 40 A F G >> S+ 0 0 0 1,-0.3 3,-2.8 2,-0.2 4,-0.6 0.804 114.8 76.5 -50.7 -33.0 59.3 40.7 57.5 39 41 A D G >4 S+ 0 0 35 -24,-0.4 3,-1.4 1,-0.3 -1,-0.3 0.875 90.4 52.7 -46.3 -48.7 57.7 40.6 60.9 40 42 A D G <4 S+ 0 0 113 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.465 93.3 75.0 -71.3 0.5 55.1 43.2 60.0 41 43 A C G <4 S+ 0 0 0 -3,-2.8 28,-2.6 -4,-0.3 2,-1.3 0.769 80.8 73.7 -80.9 -27.6 54.1 41.0 57.0 42 44 A A E X< S-k 69 0C 8 -3,-1.4 3,-1.0 -4,-0.6 2,-0.2 -0.744 85.9-152.3 -86.2 94.6 52.4 38.6 59.3 43 45 A R E 3 +k 70 0C 105 26,-1.4 28,-1.8 -2,-1.3 3,-0.1 -0.505 67.6 1.9 -76.0 136.7 49.3 40.8 60.1 44 46 A Y T 3 S+ 0 0 135 -2,-0.2 2,-0.6 1,-0.2 -1,-0.2 0.716 87.0 150.0 64.3 23.5 47.5 40.3 63.5 45 47 A L < - 0 0 21 -3,-1.0 -1,-0.2 26,-0.1 -3,-0.1 -0.790 39.3-142.7 -91.7 122.1 50.0 37.7 64.7 46 48 A M - 0 0 96 -2,-0.6 3,-0.4 1,-0.1 6,-0.1 -0.729 14.7-170.0 -87.3 120.1 50.4 37.7 68.5 47 49 A P S S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -26,-0.0 0.635 84.3 64.4 -81.2 -10.1 53.9 37.0 69.6 48 50 A D S S+ 0 0 99 -30,-0.0 2,-0.2 -3,-0.0 -2,-0.0 0.702 94.7 57.2 -87.2 -22.5 52.5 36.7 73.1 49 51 A R - 0 0 38 -3,-0.4 3,-0.1 1,-0.1 -29,-0.0 -0.646 50.9-164.8-108.1 167.9 50.2 33.6 72.9 50 52 A D S S+ 0 0 85 -2,-0.2 -1,-0.1 1,-0.1 4,-0.1 0.294 81.1 79.5-126.2 1.7 50.9 30.0 71.8 51 53 A D S S+ 0 0 91 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 -0.056 80.5 94.0 -98.2 26.8 47.3 29.1 71.3 52 54 A V S S- 0 0 22 -6,-0.1 56,-0.1 -3,-0.1 2,-0.1 -0.834 85.6 -90.1-124.8 161.0 47.2 30.8 67.9 53 55 A D - 0 0 19 -2,-0.3 2,-0.3 54,-0.1 19,-0.2 -0.394 46.8-145.5 -62.3 140.3 47.6 29.9 64.3 54 56 A K - 0 0 63 17,-0.1 55,-1.9 -9,-0.1 2,-0.8 -0.798 11.1-122.3-112.7 154.9 51.3 30.3 63.2 55 57 A L E -gh 21 109B 0 -35,-1.8 -33,-1.8 -2,-0.3 2,-0.5 -0.854 31.5-170.5 -95.9 113.3 52.8 31.4 59.9 56 58 A V E -gh 22 110B 51 53,-3.0 55,-3.1 -2,-0.8 2,-0.5 -0.922 3.4-172.6-108.6 125.2 55.0 28.6 58.7 57 59 A I E -gh 23 111B 3 -35,-2.4 -33,-0.8 -2,-0.5 55,-0.2 -0.966 14.3-139.2-121.4 125.6 57.3 29.2 55.7 58 60 A G - 0 0 12 53,-3.1 -34,-1.2 54,-0.7 3,-0.4 0.254 35.0 -74.1 -63.3-164.9 59.3 26.5 54.0 59 61 A S S S+ 0 0 5 1,-0.2 55,-3.4 -36,-0.1 56,-0.2 -0.590 104.6 20.6 -97.5 157.7 62.9 26.7 52.7 60 62 A F S S+ 0 0 43 -35,-2.6 2,-0.2 -2,-0.2 -1,-0.2 0.752 82.0 154.2 58.0 28.7 64.2 28.5 49.6 61 63 A C - 0 0 0 -3,-0.4 -33,-2.2 -36,-0.2 2,-0.6 -0.618 35.9-150.6 -86.0 146.3 61.2 30.7 49.3 62 64 A S E -bc 28 116A 36 53,-2.0 55,-1.6 -2,-0.2 2,-0.6 -0.887 14.1-164.4-120.9 99.2 61.5 34.1 47.6 63 65 A I E -bc 29 117A 2 -35,-2.7 -33,-1.9 -2,-0.6 55,-0.1 -0.754 11.3-138.9 -91.6 117.5 59.0 36.5 49.1 64 66 A G E > -b 30 0A 17 53,-2.1 3,-1.8 -2,-0.6 56,-0.3 -0.316 35.4 -75.5 -74.2 153.5 58.3 39.7 47.2 65 67 A S T 3 S+ 0 0 9 -35,-0.8 55,-3.1 1,-0.3 56,-0.2 -0.030 113.1 13.1 -47.2 141.1 57.9 43.2 48.6 66 68 A G T 3 S+ 0 0 10 53,-0.2 -1,-0.3 -30,-0.2 -35,-0.1 0.459 81.3 157.8 72.1 0.6 54.7 44.0 50.4 67 69 A A < - 0 0 2 -3,-1.8 2,-0.3 53,-0.1 55,-0.2 -0.161 23.9-159.4 -52.6 155.2 53.5 40.4 50.6 68 70 A A E - l 0 122C 2 53,-2.0 55,-2.6 -26,-0.1 2,-0.7 -0.955 20.6-160.1-151.0 130.8 51.0 40.0 53.4 69 71 A F E -kl 42 123C 0 -28,-2.6 -26,-1.4 -2,-0.3 2,-0.5 -0.891 18.2-145.9-111.0 104.4 49.6 37.1 55.5 70 72 A I E +k 43 0C 17 53,-2.3 56,-0.1 -2,-0.7 3,-0.1 -0.561 31.4 171.8 -70.7 117.3 46.3 37.9 57.2 71 73 A M + 0 0 3 -28,-1.8 -26,-0.1 -2,-0.5 -27,-0.1 -0.218 40.1 75.7-110.5-161.5 46.2 36.1 60.6 72 74 A A S > S- 0 0 17 -19,-0.2 3,-2.8 -2,-0.1 32,-0.2 0.794 87.5-117.2 61.7 33.6 44.1 35.8 63.7 73 75 A G T 3 S- 0 0 5 1,-0.3 30,-0.1 34,-0.1 -21,-0.0 -0.107 85.0 -10.5 43.0-125.3 41.5 33.7 62.0 74 76 A N T > S- 0 0 36 30,-1.4 3,-2.0 28,-0.1 -1,-0.3 0.463 84.4-131.8 -82.8 -2.9 38.2 35.6 62.0 75 77 A Q T < - 0 0 71 -3,-2.8 28,-0.1 1,-0.3 -2,-0.1 0.753 67.4 -59.5 59.4 24.4 39.3 38.3 64.4 76 78 A G T 3 S+ 0 0 6 1,-0.3 26,-0.4 26,-0.3 2,-0.4 0.399 107.1 124.1 87.2 -4.7 36.2 37.8 66.4 77 79 A H < - 0 0 83 -3,-2.0 2,-0.5 9,-0.1 -1,-0.3 -0.752 41.6-165.5 -91.6 136.6 33.8 38.7 63.6 78 80 A R > - 0 0 47 -2,-0.4 3,-1.9 5,-0.3 5,-0.1 -0.886 12.6-167.5-126.1 103.1 31.1 36.1 62.8 79 81 A A T 3 S+ 0 0 92 -2,-0.5 -1,-0.1 1,-0.3 5,-0.1 0.791 88.2 59.4 -57.4 -26.2 29.3 36.5 59.5 80 82 A E T 3 S+ 0 0 120 3,-0.1 -1,-0.3 4,-0.0 2,-0.2 0.369 89.5 81.7 -86.7 3.9 26.7 34.0 60.6 81 83 A W S < S- 0 0 108 -3,-1.9 3,-0.1 1,-0.1 -3,-0.0 -0.614 97.8-101.4-100.0 167.8 25.5 35.8 63.7 82 84 A A S S+ 0 0 120 -2,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.725 109.2 31.7 -62.4 -19.6 23.0 38.6 63.6 83 85 A S - 0 0 53 -5,-0.1 -5,-0.3 2,-0.1 -1,-0.2 -0.953 59.1-157.5-146.5 124.7 25.8 41.1 63.9 84 86 A T + 0 0 82 -2,-0.4 -5,-0.1 -7,-0.1 -2,-0.1 0.265 60.7 119.3 -79.8 10.6 29.4 41.1 62.7 85 87 A F S S- 0 0 89 -8,-0.1 2,-2.3 -7,-0.1 3,-0.3 -0.655 70.8-128.0 -81.6 130.1 30.3 43.7 65.3 86 88 A P >> + 0 0 31 0, 0.0 3,-2.3 0, 0.0 4,-0.9 -0.269 43.5 161.2 -75.1 57.9 32.9 42.5 67.9 87 89 A F G >4 + 0 0 79 -2,-2.3 3,-1.4 1,-0.3 6,-0.2 0.873 69.5 59.0 -42.6 -51.7 30.8 43.4 70.9 88 90 A H G 34 S+ 0 0 74 12,-0.5 -1,-0.3 -3,-0.3 13,-0.1 0.773 105.1 51.7 -54.5 -26.5 32.9 41.2 73.2 89 91 A F G <4 S+ 0 0 101 -3,-2.3 2,-2.2 1,-0.2 -1,-0.3 0.701 85.3 80.9 -88.4 -18.1 35.9 43.1 72.3 90 92 A M X< + 0 0 84 -3,-1.4 3,-1.8 -4,-0.9 6,-0.2 -0.454 56.9 166.0 -84.7 68.0 34.7 46.6 73.0 91 93 A H T 3 + 0 0 95 -2,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.574 61.4 71.4 -60.6 -11.2 35.4 46.1 76.7 92 94 A E T 3 S+ 0 0 105 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.633 86.1 69.6 -83.6 -13.4 35.1 49.8 77.4 93 95 A E X - 0 0 27 -3,-1.8 3,-0.8 -6,-0.2 -1,-0.1 -0.923 68.5-156.3-106.9 116.9 31.2 49.9 76.9 94 96 A P G > S+ 0 0 110 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.900 87.8 68.7 -56.8 -45.1 29.3 48.1 79.7 95 97 A A G 3 S+ 0 0 92 1,-0.3 2,-0.4 2,-0.1 3,-0.3 0.866 98.4 56.6 -42.7 -38.6 26.2 47.4 77.6 96 98 A F G < S+ 0 0 63 -3,-0.8 -1,-0.3 -6,-0.2 -6,-0.1 -0.110 77.9 108.0 -87.6 37.9 28.4 45.0 75.6 97 99 A A S < S+ 0 0 76 -3,-1.8 -1,-0.2 -2,-0.4 -2,-0.1 0.982 72.4 47.6 -79.5 -60.9 29.4 42.9 78.7 98 100 A G S S+ 0 0 76 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.547 83.4 135.2 -59.3 -5.0 27.6 39.6 78.3 99 101 A A - 0 0 27 -12,-0.1 2,-0.2 -4,-0.1 -3,-0.0 -0.163 53.8-132.5 -46.9 128.4 28.9 39.7 74.8 100 102 A V - 0 0 110 1,-0.1 2,-0.8 2,-0.0 -12,-0.5 -0.603 22.5-104.1 -87.5 152.7 30.3 36.2 73.9 101 103 A N - 0 0 68 -2,-0.2 -25,-0.1 1,-0.1 -1,-0.1 -0.635 31.6-174.5 -79.2 109.2 33.7 35.9 72.2 102 104 A G + 0 0 2 -2,-0.8 -26,-0.3 -26,-0.4 -1,-0.1 0.347 41.0 125.8 -86.1 9.0 33.1 35.1 68.5 103 105 A Y + 0 0 58 -27,-0.2 -30,-0.1 -28,-0.1 -25,-0.1 -0.377 32.3 173.2 -67.3 141.4 36.8 34.6 67.8 104 106 A Q - 0 0 91 -32,-0.2 -30,-1.4 -27,-0.1 -29,-0.1 -0.901 27.9-119.8-157.8 125.9 37.8 31.3 66.2 105 107 A P - 0 0 76 0, 0.0 3,-0.0 0, 0.0 -53,-0.0 -0.078 11.0-161.9 -56.1 156.2 41.1 30.0 64.8 106 108 A A - 0 0 54 1,-0.1 -54,-0.0 21,-0.0 2,-0.0 0.426 47.0-101.1-122.3 -5.0 41.5 29.0 61.2 107 109 A G - 0 0 30 2,-0.1 19,-0.5 0, 0.0 -1,-0.1 0.040 53.1 -44.7 99.4 151.5 44.7 26.9 61.4 108 110 A D - 0 0 72 1,-0.1 2,-0.6 17,-0.1 -53,-0.2 -0.115 52.3-127.6 -50.6 143.8 48.3 27.5 60.7 109 111 A T E -h 55 0B 2 -55,-1.9 -53,-3.0 19,-0.1 2,-0.5 -0.868 30.8-159.8 -94.3 125.9 49.0 29.2 57.4 110 112 A L E -hi 56 128B 76 17,-1.5 19,-3.1 -2,-0.6 2,-0.6 -0.947 16.3-171.1-118.2 126.1 51.6 27.0 55.6 111 113 A I E -hi 57 129B 4 -55,-3.1 -53,-3.1 -2,-0.5 19,-0.2 -0.949 23.4-141.0-113.0 112.3 53.9 28.1 52.8 112 114 A G - 0 0 12 17,-3.0 -54,-0.7 -2,-0.6 3,-0.5 0.246 33.7 -66.8 -58.7-171.1 55.6 25.1 51.2 113 115 A H S S+ 0 0 38 1,-0.2 19,-2.9 -55,-0.2 20,-0.2 -0.439 111.8 13.1 -80.0 155.1 59.2 24.9 50.0 114 116 A E S S+ 0 0 41 -55,-3.4 2,-0.5 17,-0.2 -1,-0.2 0.886 82.1 163.2 47.5 50.2 60.5 26.9 47.1 115 117 A V - 0 0 1 -3,-0.5 -53,-2.0 -56,-0.2 2,-0.7 -0.880 27.5-153.5-102.1 129.4 57.5 29.2 46.9 116 118 A W E -cd 62 134A 151 17,-1.7 19,-3.0 -2,-0.5 2,-0.5 -0.875 12.4-168.0-105.3 105.9 57.8 32.4 44.9 117 119 A I E -cd 63 135A 0 -55,-1.6 -53,-2.1 -2,-0.7 19,-0.2 -0.812 16.7-129.7 -98.9 128.0 55.5 35.0 46.1 118 120 A G > - 0 0 8 17,-2.4 3,-1.8 -2,-0.5 20,-0.3 -0.392 39.0 -79.3 -75.1 150.5 55.0 38.1 44.0 119 121 A T T 3 S+ 0 0 55 1,-0.3 19,-1.5 18,-0.1 -53,-0.2 -0.105 115.2 8.3 -45.5 140.2 55.2 41.7 45.4 120 122 A E T 3 S+ 0 0 74 -55,-3.1 -1,-0.3 -56,-0.3 2,-0.1 0.626 84.6 152.2 58.4 23.0 52.0 42.6 47.2 121 123 A A < - 0 0 1 -3,-1.8 -53,-2.0 -56,-0.2 2,-0.4 -0.508 31.0-150.8 -76.6 152.2 50.3 39.2 47.2 122 124 A M E -lm 68 140C 54 17,-2.3 19,-1.7 -55,-0.2 2,-0.4 -0.978 5.1-156.9-132.8 123.3 47.9 38.7 50.1 123 125 A F E -lm 69 141C 0 -55,-2.6 -53,-2.3 -2,-0.4 19,-0.1 -0.829 14.5-135.2-101.0 132.4 47.1 35.4 51.7 124 126 A M > - 0 0 49 17,-2.5 3,-1.1 -2,-0.4 -1,-0.0 -0.202 43.5 -73.5 -74.3 170.1 43.9 34.8 53.7 125 127 A P T 3 S+ 0 0 37 0, 0.0 -1,-0.2 0, 0.0 -54,-0.1 -0.369 111.9 11.5 -67.6 147.5 43.9 33.0 57.0 126 128 A G T 3 S+ 0 0 26 -19,-0.5 -16,-0.1 1,-0.2 -18,-0.1 0.364 84.6 140.7 73.3 -3.3 44.4 29.3 57.0 127 129 A V < - 0 0 5 -3,-1.1 -17,-1.5 14,-0.2 2,-0.5 -0.369 39.3-148.6 -72.6 156.0 45.5 28.8 53.4 128 130 A R E -i 110 0B 32 -19,-0.2 17,-2.1 -2,-0.0 2,-0.6 -0.977 5.0-156.1-128.3 115.3 48.2 26.3 52.6 129 131 A V E -ij 111 145B 5 -19,-3.1 -17,-3.0 -2,-0.5 17,-0.1 -0.825 18.9-132.3 -95.2 123.7 50.5 26.9 49.6 130 132 A G > - 0 0 14 15,-1.1 3,-1.4 -2,-0.6 18,-0.2 -0.205 35.9 -73.5 -71.9 163.8 52.1 23.8 48.1 131 133 A H T 3 S+ 0 0 53 1,-0.2 17,-2.6 16,-0.1 18,-0.2 -0.148 113.3 7.4 -55.7 147.0 55.8 23.4 47.2 132 134 A G T 3 S+ 0 0 1 -19,-2.9 -1,-0.2 15,-0.2 -16,-0.2 0.261 89.4 147.5 65.9 -13.5 57.1 25.2 44.2 133 135 A A < - 0 0 0 -3,-1.4 -17,-1.7 -20,-0.2 2,-0.5 0.002 40.8-140.5 -48.8 157.5 53.9 27.1 43.7 134 136 A I E -de 116 150A 33 15,-2.7 17,-2.5 -19,-0.2 2,-0.7 -0.997 7.7-154.2-125.3 127.4 54.2 30.5 42.2 135 137 A I E -de 117 151A 2 -19,-3.0 -17,-2.4 -2,-0.5 17,-0.2 -0.903 19.8-130.2-105.5 114.1 52.0 33.3 43.6 136 138 A G > - 0 0 23 15,-3.2 3,-1.7 -2,-0.7 -18,-0.2 -0.136 36.1 -84.5 -57.5 155.4 51.3 36.0 41.1 137 139 A S T 3 S+ 0 0 77 1,-0.3 16,-0.3 -20,-0.1 -17,-0.2 -0.334 114.0 6.8 -63.2 141.3 51.8 39.6 42.1 138 140 A R T 3 S+ 0 0 174 -19,-1.5 -1,-0.3 -20,-0.3 -17,-0.1 0.470 92.0 153.4 66.0 1.4 48.8 41.2 43.8 139 141 A A < - 0 0 1 -3,-1.7 -17,-2.3 12,-0.1 2,-0.8 -0.383 39.1-144.4 -62.4 134.5 47.2 37.7 43.8 140 142 A L E -m 122 0C 35 13,-2.2 16,-3.0 -19,-0.2 2,-0.8 -0.876 12.9-151.5-105.1 102.9 44.7 37.3 46.6 141 143 A V E +m 123 0C 2 -19,-1.7 -17,-2.5 -2,-0.8 -14,-0.2 -0.638 24.0 169.6 -79.7 108.7 44.9 33.7 47.8 142 144 A T + 0 0 80 -2,-0.8 2,-0.3 14,-0.2 -1,-0.1 0.380 63.9 2.4 -97.3 1.0 41.5 32.5 49.3 143 145 A G S S- 0 0 28 -19,-0.0 -16,-0.1 13,-0.0 -19,-0.1 -0.922 95.3 -38.8-164.3-170.1 42.4 28.9 49.5 144 146 A D - 0 0 122 -2,-0.3 2,-0.4 -17,-0.1 -15,-0.2 -0.312 47.2-149.4 -67.2 150.2 44.9 26.0 49.2 145 147 A V B -j 129 0B 15 -17,-2.1 -15,-1.1 -4,-0.1 -12,-0.1 -0.928 16.2-117.5-120.8 145.2 47.3 26.0 46.2 146 148 A E > - 0 0 111 -2,-0.4 3,-2.6 -17,-0.1 -17,-0.0 -0.524 39.8 -89.1 -84.2 149.6 48.7 22.9 44.5 147 149 A P T 3 S+ 0 0 38 0, 0.0 -15,-0.2 0, 0.0 -16,-0.1 -0.254 114.5 7.1 -54.9 134.8 52.4 22.1 44.4 148 150 A Y T 3 S+ 0 0 0 -17,-2.6 14,-3.7 1,-0.2 15,-0.2 0.602 97.9 141.4 68.3 11.3 53.9 23.7 41.3 149 151 A A E < - F 0 161A 0 -3,-2.6 -15,-2.7 12,-0.3 2,-0.6 -0.535 46.5-140.3 -83.9 150.9 50.7 25.5 40.6 150 152 A I E -eF 134 160A 20 10,-2.5 9,-4.8 -17,-0.2 10,-0.9 -0.948 27.5-179.2-114.0 113.0 50.8 29.1 39.2 151 153 A V E +eF 135 158A 5 -17,-2.5 -15,-3.2 -2,-0.6 2,-0.3 -0.766 10.0 151.6-115.0 158.6 48.1 31.3 40.7 152 154 A G E > + F 0 157A 17 5,-1.6 5,-2.0 -2,-0.3 2,-0.1 -0.925 25.5 61.4-175.0 153.8 47.1 34.9 40.3 153 155 A G T 5S- 0 0 35 -16,-0.3 -13,-2.2 -2,-0.3 -17,-0.0 -0.301 80.7 -55.1 110.6 164.1 44.2 37.2 40.5 154 156 A N T 5S+ 0 0 123 1,-0.4 2,-0.1 -15,-0.2 -13,-0.1 -0.912 141.3 24.2-120.4 97.5 41.6 38.5 42.9 155 157 A P T 5S- 0 0 63 0, 0.0 -1,-0.4 0, 0.0 -14,-0.2 0.550 118.6-116.0 -76.4 152.9 40.5 35.9 43.8 156 158 A A T 5 - 0 0 13 -16,-3.0 2,-0.3 -2,-0.1 -14,-0.2 -0.332 35.6-172.0 -64.0 135.7 43.6 33.9 42.9 157 159 A R E < -F 152 0A 164 -5,-2.0 -5,-1.6 -2,-0.1 2,-0.5 -0.868 31.0-104.5-122.7 156.4 43.3 31.2 40.2 158 160 A T E -F 151 0A 78 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.712 29.9-177.2 -83.8 126.1 45.6 28.5 38.9 159 161 A I E - 0 0 112 -9,-4.8 2,-0.3 -2,-0.5 -1,-0.2 0.779 63.4 -54.8 -90.7 -31.3 46.9 29.6 35.6 160 162 A R E -F 150 0A 149 -10,-0.9 -10,-2.5 -3,-0.1 -1,-0.5 -0.922 58.2 -86.7 170.0 172.9 48.8 26.4 35.0 161 163 A K E -F 149 0A 59 -2,-0.3 -12,-0.3 -12,-0.2 -13,-0.1 -0.778 28.9-127.4-104.9 150.0 51.3 24.1 36.7 162 164 A R S S+ 0 0 69 -14,-3.7 2,-0.2 -2,-0.3 -1,-0.1 0.879 85.0 11.1 -61.5 -43.2 55.0 24.5 36.3 163 165 A F S S- 0 0 48 -15,-0.2 -2,-0.1 1,-0.1 2,-0.1 -0.703 92.8 -69.8-129.8-177.4 55.8 20.9 35.2 164 166 A S > - 0 0 60 -2,-0.2 4,-3.6 1,-0.1 5,-0.2 -0.368 46.1-112.6 -71.9 152.0 54.1 17.7 34.1 165 167 A D H > S+ 0 0 127 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.917 122.8 46.0 -50.4 -44.9 52.1 15.7 36.6 166 168 A G H > S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.927 111.3 49.8 -63.7 -47.2 54.8 13.1 36.3 167 169 A D H > S+ 0 0 35 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.931 111.0 51.6 -56.2 -47.5 57.6 15.6 36.6 168 170 A I H X S+ 0 0 9 -4,-3.6 4,-2.8 1,-0.2 5,-0.3 0.963 106.1 53.3 -53.6 -56.6 55.9 17.0 39.6 169 171 A Q H X S+ 0 0 57 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.859 111.0 47.6 -48.8 -39.1 55.7 13.6 41.2 170 172 A N H X S+ 0 0 40 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.924 109.7 52.4 -68.9 -44.2 59.4 13.1 40.7 171 173 A L H X S+ 0 0 6 -4,-2.7 4,-0.8 1,-0.2 5,-0.4 0.874 109.7 49.1 -59.4 -39.0 60.2 16.5 42.1 172 174 A L H < S+ 0 0 68 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.846 107.7 56.4 -70.9 -31.1 58.2 15.7 45.2 173 175 A E H < S+ 0 0 57 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.894 112.8 37.3 -68.6 -41.1 60.0 12.4 45.6 174 176 A M H < S- 0 0 4 -4,-1.9 4,-0.2 5,-0.0 -1,-0.2 0.524 83.3-163.0 -91.4 -2.8 63.5 13.8 45.7 175 177 A A >< - 0 0 19 -4,-0.8 3,-2.5 -5,-0.2 4,-0.3 0.756 4.1-170.0 20.1 68.2 62.6 16.9 47.7 176 178 A W G > S+ 0 0 29 -5,-0.4 3,-0.8 1,-0.3 -1,-0.2 0.640 76.3 74.5 -58.0 -11.8 65.9 18.6 46.8 177 179 A W G 3 S+ 0 0 8 1,-0.2 -1,-0.3 -118,-0.1 -2,-0.1 0.564 97.5 46.9 -79.5 -5.0 65.0 21.3 49.4 178 180 A D G < S+ 0 0 109 -3,-2.5 -1,-0.2 -4,-0.2 -2,-0.2 0.368 88.8 119.3-110.7 -0.1 65.9 18.8 52.1 179 181 A W S < S- 0 0 22 -3,-0.8 2,-0.1 -4,-0.3 5,-0.0 -0.315 77.5 -97.8 -67.8 147.6 69.1 17.8 50.4 180 182 A P >> - 0 0 76 0, 0.0 4,-1.8 0, 0.0 3,-1.4 -0.432 36.9-114.7 -63.2 138.9 72.4 18.4 52.2 181 183 A L H 3> S+ 0 0 87 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.840 115.9 61.3 -44.6 -38.9 73.9 21.6 50.9 182 184 A A H 3> S+ 0 0 64 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.880 105.7 44.6 -56.8 -43.2 76.8 19.5 49.5 183 185 A D H <> S+ 0 0 43 -3,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.822 109.6 57.7 -71.1 -32.0 74.4 17.5 47.2 184 186 A I H X S+ 0 0 14 -4,-1.8 4,-0.7 1,-0.2 -2,-0.2 0.954 108.1 45.4 -63.2 -47.9 72.7 20.8 46.3 185 187 A E H < S+ 0 0 152 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.849 112.6 54.1 -63.3 -32.0 75.9 22.2 45.0 186 188 A A H < S+ 0 0 35 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.943 114.1 37.1 -65.4 -51.8 76.6 18.9 43.2 187 189 A A H >X S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.2 4,-1.2 0.427 87.8 111.2 -80.4 -2.2 73.3 18.8 41.3 188 190 A M H >X + 0 0 85 -4,-0.7 3,-1.1 1,-0.3 4,-1.0 0.849 69.2 56.2 -40.7 -52.2 73.5 22.6 40.8 189 191 A P H 34 S+ 0 0 98 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.844 112.0 44.7 -54.3 -32.9 74.1 22.4 37.1 190 192 A L H X4 S+ 0 0 46 -3,-1.7 3,-0.8 1,-0.2 5,-0.3 0.642 101.4 65.3 -86.6 -15.8 70.9 20.5 36.7 191 193 A L H << S+ 0 0 43 -4,-1.2 -1,-0.2 -3,-1.1 -3,-0.1 0.670 95.3 63.3 -77.6 -15.7 68.9 22.7 39.0 192 194 A C T 3< S+ 0 0 95 -4,-1.0 2,-0.3 -3,-0.3 -1,-0.3 -0.110 100.5 59.3-100.0 36.2 69.4 25.4 36.4 193 195 A T S < S- 0 0 71 -3,-0.8 -3,-0.0 3,-0.0 6,-0.0 -0.860 83.9-118.0-146.0 177.9 67.5 23.6 33.7 194 196 A G S S+ 0 0 57 -2,-0.3 2,-1.2 1,-0.1 -3,-0.1 0.009 74.4 118.1-111.3 26.1 64.0 22.2 33.2 195 197 A D >> + 0 0 82 -5,-0.3 4,-2.7 1,-0.2 3,-1.1 -0.452 27.9 163.5 -92.4 62.8 65.2 18.6 32.9 196 198 A I H 3> S+ 0 0 7 -2,-1.2 4,-3.2 1,-0.3 -1,-0.2 0.896 76.8 53.5 -45.5 -47.8 63.4 17.1 35.9 197 199 A P H 3> S+ 0 0 62 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.845 110.0 47.7 -58.6 -35.0 64.0 13.6 34.4 198 200 A A H <> S+ 0 0 28 -3,-1.1 4,-2.4 2,-0.2 3,-0.5 0.981 113.2 47.6 -67.2 -55.0 67.7 14.3 34.1 199 201 A L H X S+ 0 0 5 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.854 108.6 56.1 -51.8 -40.6 67.7 15.7 37.7 200 202 A Y H X S+ 0 0 71 -4,-3.2 4,-2.8 -5,-0.3 -1,-0.2 0.902 109.2 45.5 -60.0 -44.8 65.8 12.6 38.9 201 203 A Q H X S+ 0 0 123 -4,-1.6 4,-3.4 -3,-0.5 -2,-0.2 0.973 109.6 52.8 -63.2 -55.4 68.4 10.3 37.5 202 204 A H H X S+ 0 0 62 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.866 113.9 47.8 -47.4 -39.7 71.4 12.3 38.9 203 205 A W H X S+ 0 0 70 -4,-2.1 4,-2.5 -5,-0.3 5,-0.3 1.000 110.2 46.9 -64.2 -71.1 69.5 12.0 42.2 204 206 A K H < S+ 0 0 43 -4,-2.8 4,-0.3 1,-0.2 -2,-0.2 0.836 113.1 54.5 -38.8 -44.3 68.8 8.2 42.1 205 207 A Q H >< S+ 0 0 145 -4,-3.4 3,-2.5 1,-0.2 -1,-0.2 0.981 109.7 42.1 -55.2 -66.2 72.4 7.7 41.1 206 208 A R H 3< S+ 0 0 121 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.817 99.8 72.3 -51.9 -36.3 74.0 9.5 44.0 207 209 A Q T 3< 0 0 75 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.680 360.0 360.0 -56.1 -12.6 71.5 8.0 46.4 208 210 A A < 0 0 126 -3,-2.5 -2,-0.2 -4,-0.3 -3,-0.1 0.710 360.0 360.0-104.0 360.0 73.7 4.9 45.7