==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE REGULATOR 22-JUN-04 1TTH . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.STIEGLITZ,B.STEC,D.P.BAKER,E.R.KANTROWITZ . 926 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39995.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 620 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 81 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 3 2 2 0 4 2 3 1 1 0 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 3 3 8 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 . 2 3 4 4 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 2 2 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 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 A 0 0 93 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 159.0 37.5 46.9 -9.2 2 2 A N > - 0 0 9 304,-3.1 3,-1.6 303,-0.4 305,-0.0 -0.355 360.0-108.1 -75.9 158.7 36.3 44.0 -7.1 3 3 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.870 116.4 44.7 -59.3 -41.6 34.1 44.8 -4.0 4 4 A L T > S+ 0 0 5 301,-0.1 3,-1.5 15,-0.1 2,-0.2 0.157 81.5 135.1 -90.3 14.8 36.8 43.9 -1.4 5 5 A Y T < S- 0 0 75 -3,-1.6 298,-0.2 1,-0.3 299,-0.2 -0.497 83.4 -7.0 -70.7 133.7 39.5 45.8 -3.2 6 6 A Q T 3 S+ 0 0 56 297,-2.1 2,-0.3 296,-0.2 -1,-0.3 0.733 104.2 142.3 52.9 27.3 41.7 47.9 -0.9 7 7 A K < - 0 0 118 -3,-1.5 2,-0.5 116,-0.1 -1,-0.2 -0.754 54.8-122.9 -98.5 143.8 39.2 47.1 1.9 8 8 A H - 0 0 60 -2,-0.3 2,-1.2 115,-0.1 3,-0.3 -0.733 15.7-151.7 -80.5 122.9 40.0 46.4 5.5 9 9 A I B +a 125 0A 2 115,-0.8 117,-2.0 -2,-0.5 127,-0.2 -0.711 45.0 136.6 -92.9 88.4 38.7 43.0 6.6 10 10 A I + 0 0 2 -2,-1.2 2,-0.3 1,-0.3 -1,-0.2 0.898 62.3 9.1-101.7 -53.5 38.2 43.7 10.3 11 11 A S > - 0 0 1 -3,-0.3 3,-1.5 123,-0.1 -1,-0.3 -0.956 58.9-130.8-130.7 152.6 34.9 42.3 11.5 12 12 A I G > S+ 0 0 0 -2,-0.3 3,-1.6 1,-0.3 8,-0.1 0.719 103.7 74.7 -73.4 -17.6 32.4 39.9 9.9 13 13 A N G 3 S+ 0 0 67 1,-0.3 -1,-0.3 3,-0.0 158,-0.0 0.680 93.4 54.2 -62.9 -16.6 29.7 42.4 10.9 14 14 A D G < S+ 0 0 88 -3,-1.5 2,-0.3 2,-0.1 -1,-0.3 0.316 96.1 83.1-105.3 8.9 30.9 44.6 8.0 15 15 A L < - 0 0 16 -3,-1.6 2,-0.3 -6,-0.0 -6,-0.0 -0.798 64.4-143.5-112.0 157.2 30.7 42.0 5.3 16 16 A S > - 0 0 40 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.756 32.5-105.9-113.8 162.2 27.7 40.8 3.2 17 17 A R H > S+ 0 0 87 -2,-0.3 4,-4.2 1,-0.3 5,-0.3 0.870 126.2 55.1 -51.0 -38.7 26.7 37.4 1.9 18 18 A D H > S+ 0 0 114 2,-0.2 4,-2.6 3,-0.2 -1,-0.3 0.949 109.6 46.2 -58.9 -48.7 27.9 38.7 -1.4 19 19 A D H > S+ 0 0 30 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.972 117.0 42.8 -54.1 -60.9 31.2 39.5 0.2 20 20 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.956 115.1 50.2 -47.8 -60.0 31.4 36.1 1.9 21 21 A N H X S+ 0 0 65 -4,-4.2 4,-2.4 1,-0.2 -1,-0.2 0.840 108.3 54.7 -49.9 -38.8 30.2 34.4 -1.2 22 22 A L H X S+ 0 0 28 -4,-2.6 4,-2.5 -5,-0.3 5,-0.3 0.953 107.7 46.3 -65.9 -48.4 32.8 36.2 -3.3 23 23 A V H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.941 113.2 51.6 -56.4 -47.2 35.8 35.1 -1.2 24 24 A L H X S+ 0 0 11 -4,-2.4 4,-2.9 2,-0.2 3,-0.4 0.949 109.0 48.9 -49.1 -62.0 34.5 31.6 -1.2 25 25 A A H X S+ 0 0 52 -4,-2.4 4,-1.8 1,-0.3 -1,-0.2 0.898 113.5 47.0 -43.6 -55.7 34.1 31.5 -5.0 26 26 A T H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 -1,-0.3 0.775 110.0 54.8 -62.0 -30.6 37.6 32.9 -5.3 27 27 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 -3,-0.4 -2,-0.2 0.975 109.1 45.6 -67.1 -50.8 38.8 30.3 -2.8 28 28 A A H X S+ 0 0 56 -4,-2.9 4,-0.7 1,-0.2 -2,-0.2 0.786 114.3 52.3 -59.7 -29.5 37.4 27.4 -4.8 29 29 A K H >X S+ 0 0 82 -4,-1.8 4,-2.3 -5,-0.3 3,-1.0 0.966 111.0 42.6 -71.7 -56.3 38.9 29.0 -8.0 30 30 A L H 3< S+ 0 0 10 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.761 108.3 61.9 -61.7 -27.2 42.4 29.4 -6.7 31 31 A K H 3< S+ 0 0 90 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.810 108.3 43.5 -70.6 -27.1 42.2 25.9 -5.2 32 32 A A H << S+ 0 0 73 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.1 0.933 133.2 12.3 -80.4 -57.1 41.7 24.6 -8.7 33 33 A N S < S- 0 0 83 -4,-2.3 -1,-0.3 2,-0.0 -2,-0.1 -0.927 80.7-147.4-129.7 112.2 44.3 26.6 -10.5 34 34 A P - 0 0 75 0, 0.0 32,-0.1 0, 0.0 -3,-0.1 -0.368 6.5-143.0 -73.8 153.1 46.8 28.5 -8.4 35 35 A Q > - 0 0 53 30,-0.2 3,-2.7 1,-0.1 4,-0.3 -0.696 18.5-178.3-117.7 74.6 48.3 31.8 -9.4 36 36 A P T 3 S+ 0 0 85 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.590 83.3 36.4 -51.9 -17.7 51.9 31.6 -8.1 37 37 A E T > S+ 0 0 126 1,-0.1 3,-1.6 30,-0.1 29,-0.1 0.325 80.1 113.2-118.2 4.5 52.8 35.1 -9.3 38 38 A L T < S+ 0 0 43 -3,-2.7 29,-0.2 1,-0.3 -1,-0.1 0.746 90.2 25.6 -53.0 -30.7 49.6 36.9 -8.6 39 39 A L T > S+ 0 0 2 27,-2.9 3,-1.6 -4,-0.3 30,-0.3 0.137 82.6 144.1-124.6 18.3 51.0 39.1 -5.9 40 40 A K T < + 0 0 100 -3,-1.6 28,-0.2 1,-0.2 3,-0.1 -0.284 66.7 33.0 -60.1 152.6 54.7 39.3 -6.6 41 41 A H T 3 S+ 0 0 171 26,-0.5 -1,-0.2 1,-0.4 2,-0.1 -0.114 96.8 111.9 88.6 -26.8 56.4 42.7 -5.9 42 42 A K < - 0 0 62 -3,-1.6 27,-2.2 57,-0.0 2,-0.4 -0.423 54.3-156.6 -69.9 146.7 54.0 43.1 -3.0 43 43 A V E -b 69 0A 44 25,-0.2 57,-3.0 -2,-0.1 58,-0.7 -0.994 9.0-167.1-126.4 121.9 55.2 43.0 0.6 44 44 A I E -bc 70 101A 0 25,-2.2 27,-2.4 -2,-0.4 2,-0.5 -0.891 15.7-132.3-112.7 141.7 52.8 42.1 3.4 45 45 A A E -bc 71 102A 3 56,-2.6 58,-3.1 -2,-0.4 2,-0.9 -0.804 8.9-159.4 -96.3 126.6 53.4 42.5 7.2 46 46 A S E +bc 72 103A 0 25,-3.0 27,-4.2 -2,-0.5 2,-0.8 -0.868 18.8 179.5-103.3 93.3 52.7 39.6 9.5 47 47 A C E +bc 73 104A 0 56,-3.2 58,-1.7 -2,-0.9 2,-0.7 -0.840 5.9 178.5-104.5 104.5 52.3 41.3 12.8 48 48 A F E + c 0 105A 1 25,-3.4 58,-0.2 -2,-0.8 28,-0.2 -0.880 17.4 165.5-112.5 110.6 51.4 38.9 15.7 49 49 A F S S+ 0 0 15 56,-2.8 2,-0.3 -2,-0.7 57,-0.2 0.439 76.7 49.4 -88.5 -6.9 51.1 40.5 19.1 50 50 A A S S- 0 0 22 55,-0.4 55,-0.1 56,-0.1 2,-0.1 -0.860 99.0 -85.9-132.1 161.1 49.5 37.3 20.1 51 51 A A + 0 0 87 -2,-0.3 2,-0.3 5,-0.0 -2,-0.1 -0.408 50.3 154.3 -74.5 145.7 50.3 33.6 19.8 52 52 A S + 0 0 30 -2,-0.1 -4,-0.0 22,-0.1 53,-0.0 -0.914 25.1 171.3-168.7 141.4 49.3 31.6 16.7 53 53 A T S > S+ 0 0 95 -2,-0.3 4,-1.9 3,-0.1 5,-0.2 0.649 90.0 31.5-110.7 -61.2 50.4 28.5 14.9 54 54 A R H > S+ 0 0 77 2,-0.2 4,-3.2 3,-0.2 5,-0.4 0.973 121.0 45.3 -61.6 -66.7 47.7 28.1 12.3 55 55 A T H > S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.938 119.4 40.4 -52.0 -57.4 46.5 31.6 11.6 56 56 A R H > S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.947 120.0 42.9 -60.5 -49.6 50.0 33.1 11.3 57 57 A L H X S+ 0 0 82 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.905 112.9 50.3 -65.8 -43.5 51.6 30.2 9.4 58 58 A S H X S+ 0 0 16 -4,-3.2 4,-1.7 -5,-0.2 -1,-0.2 0.843 111.6 50.4 -62.6 -36.6 48.7 29.6 6.9 59 59 A F H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.4 -1,-0.2 0.883 110.0 48.9 -67.0 -43.4 48.6 33.3 6.1 60 60 A E H X S+ 0 0 42 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.884 110.3 50.2 -69.4 -39.6 52.4 33.5 5.4 61 61 A T H X S+ 0 0 51 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.923 108.3 55.1 -59.6 -44.3 52.3 30.4 3.2 62 62 A S H < S+ 0 0 0 -4,-1.7 4,-0.3 1,-0.2 6,-0.2 0.931 107.9 48.1 -51.6 -54.3 49.4 32.0 1.3 63 63 A M H ><>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 3,-0.7 0.857 115.6 44.0 -57.1 -39.4 51.5 35.1 0.6 64 64 A H H ><5S+ 0 0 108 -4,-1.9 3,-1.7 1,-0.2 -1,-0.2 0.835 106.2 61.1 -75.5 -32.0 54.4 33.1 -0.6 65 65 A R T 3<5S+ 0 0 158 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.480 108.0 46.6 -72.9 -2.5 52.1 30.9 -2.6 66 66 A L T < 5S- 0 0 0 -3,-0.7 -27,-2.9 -4,-0.3 -1,-0.3 -0.016 122.1-102.2-124.9 20.5 51.2 34.0 -4.5 67 67 A G T < 5S+ 0 0 29 -3,-1.7 -26,-0.5 1,-0.3 -3,-0.2 0.442 77.5 138.9 75.0 -2.8 54.7 35.4 -5.1 68 68 A A < - 0 0 3 -5,-2.0 2,-0.3 -6,-0.2 -1,-0.3 -0.462 49.2-131.5 -74.5 151.2 54.3 37.9 -2.3 69 69 A S E -b 43 0A 72 -27,-2.2 -25,-2.2 -30,-0.3 2,-0.4 -0.710 21.8-143.5 -97.4 150.4 57.2 38.6 0.0 70 70 A V E +b 44 0A 32 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.957 23.9 165.2-126.9 136.9 56.6 38.7 3.8 71 71 A V E +b 45 0A 78 -27,-2.4 -25,-3.0 -2,-0.4 2,-0.3 -0.923 32.1 87.0-132.5 161.0 57.9 40.7 6.8 72 72 A G E -b 46 0A 45 -2,-0.3 2,-0.3 -27,-0.3 -25,-0.3 -0.996 59.1 -81.6 153.8-146.0 56.6 41.0 10.3 73 73 A F E -b 47 0A 42 -27,-4.2 -25,-3.4 -2,-0.3 3,-0.1 -0.981 3.1-153.8-165.7 152.4 56.8 39.4 13.7 74 74 A S S S+ 0 0 67 -2,-0.3 2,-0.3 1,-0.3 -22,-0.1 0.589 91.6 34.5 -98.9 -16.9 55.5 36.6 15.9 75 75 A D > - 0 0 89 -24,-0.1 3,-1.0 -26,-0.1 -1,-0.3 -0.973 58.7-153.5-147.9 128.2 56.2 38.4 19.1 76 76 A S G > S+ 0 0 21 -2,-0.3 3,-1.3 1,-0.2 6,-0.7 0.496 80.4 93.4 -74.7 -9.4 56.0 42.1 20.1 77 77 A A G 3 S+ 0 0 34 1,-0.3 -1,-0.2 5,-0.1 -28,-0.0 0.696 91.3 40.7 -58.3 -24.6 58.6 41.5 22.8 78 78 A N G < S+ 0 0 136 -3,-1.0 -1,-0.3 4,-0.1 -2,-0.2 0.407 95.4 99.4-107.5 -1.2 61.3 42.6 20.4 79 79 A T S <> S- 0 0 23 -3,-1.3 4,-1.8 1,-0.1 3,-0.4 -0.494 88.2-114.5 -77.2 155.5 59.4 45.4 18.8 80 80 A S H > S+ 0 0 52 1,-0.3 4,-2.6 2,-0.2 6,-1.2 0.808 125.8 56.8 -59.2 -26.6 60.1 49.0 20.0 81 81 A L H 4 S+ 0 0 38 4,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.904 107.4 50.3 -61.7 -42.2 56.5 48.7 21.2 82 82 A G H 4 S+ 0 0 33 -6,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.805 131.6 10.2 -60.6 -44.2 57.8 45.7 23.1 83 83 A K H < S+ 0 0 151 -4,-1.8 -2,-0.2 -7,-0.1 -3,-0.2 0.341 127.0 49.8-127.6 -1.0 60.8 47.4 24.7 84 84 A K S < S- 0 0 169 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.328 103.8-109.4-126.6 8.8 60.7 51.1 24.1 85 85 A G + 0 0 70 -4,-0.5 -4,-0.2 -5,-0.3 -3,-0.1 0.822 57.2 167.9 70.9 29.2 57.1 51.9 25.3 86 86 A E - 0 0 68 -6,-1.2 2,-0.3 -7,-0.1 -1,-0.2 -0.358 34.6-116.2 -71.7 157.7 55.9 52.6 21.8 87 87 A T > - 0 0 38 1,-0.1 4,-2.8 -2,-0.0 5,-0.2 -0.706 15.6-125.7 -94.1 145.8 52.1 53.0 21.1 88 88 A L H > S+ 0 0 3 -2,-0.3 4,-3.6 1,-0.2 5,-0.2 0.907 110.9 54.2 -58.4 -38.9 50.3 50.5 18.8 89 89 A A H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.963 109.8 43.8 -59.7 -54.2 49.1 53.4 16.7 90 90 A D H > S+ 0 0 83 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.902 112.2 56.7 -59.6 -37.4 52.5 54.9 16.1 91 91 A T H X S+ 0 0 8 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.980 111.5 40.6 -52.6 -58.1 53.6 51.4 15.5 92 92 A I H X S+ 0 0 0 -4,-3.6 4,-2.4 1,-0.2 -1,-0.2 0.849 109.3 63.9 -61.7 -27.9 51.0 51.1 12.8 93 93 A S H X S+ 0 0 43 -4,-2.8 4,-0.7 -5,-0.2 -1,-0.2 0.970 109.8 35.6 -63.5 -48.8 51.8 54.6 11.7 94 94 A V H >< S+ 0 0 64 -4,-2.8 3,-1.4 1,-0.2 4,-0.2 0.940 115.7 54.8 -69.5 -41.5 55.3 53.7 10.7 95 95 A I H >X S+ 0 0 24 -4,-2.6 3,-2.4 -5,-0.3 4,-1.3 0.876 97.4 63.8 -63.3 -33.6 54.5 50.3 9.4 96 96 A S H 3< S+ 0 0 19 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.802 97.4 59.9 -59.3 -27.2 51.8 51.6 7.0 97 97 A T T << S+ 0 0 102 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.498 108.5 42.7 -77.2 -2.9 54.7 53.4 5.2 98 98 A Y T <4 S+ 0 0 169 -3,-2.4 -2,-0.2 -4,-0.2 2,-0.2 0.832 108.1 40.3-110.0 -40.8 56.5 50.2 4.4 99 99 A V < - 0 0 9 -4,-1.3 -55,-0.2 1,-0.1 3,-0.1 -0.506 64.3-126.0-117.0 175.0 54.1 47.5 3.2 100 100 A D S S+ 0 0 64 -57,-3.0 2,-0.3 1,-0.3 -56,-0.2 0.690 91.1 9.4 -96.9 -23.0 51.1 46.9 1.1 101 101 A A E -c 44 0A 0 -58,-0.7 -56,-2.6 21,-0.2 2,-0.5 -0.982 63.5-138.7-156.6 154.4 48.9 45.2 3.6 102 102 A I E -cd 45 124A 0 21,-2.1 23,-3.8 -2,-0.3 2,-0.6 -0.961 8.9-170.4-124.3 114.0 48.9 44.4 7.4 103 103 A V E +cd 46 125A 0 -58,-3.1 -56,-3.2 -2,-0.5 2,-0.4 -0.886 22.3 176.6 -95.4 117.4 47.9 41.2 9.0 104 104 A M E -cd 47 126A 1 21,-2.9 23,-3.0 -2,-0.6 24,-0.6 -0.985 24.6-171.3-136.9 138.7 47.7 41.5 12.7 105 105 A R E -cd 48 128A 25 -58,-1.7 -56,-2.8 -2,-0.4 -55,-0.4 -0.904 22.5-179.7-109.9 136.7 46.7 39.4 15.7 106 106 A H E - d 0 129A 12 22,-2.7 24,-2.0 -2,-0.4 5,-0.1 -0.998 38.6-128.4-148.5 143.4 46.4 41.2 19.1 107 107 A P S S+ 0 0 53 0, 0.0 2,-0.3 0, 0.0 24,-0.1 0.683 90.3 62.0 -62.0 -20.5 45.6 40.4 22.7 108 108 A Q S > S- 0 0 45 22,-0.1 3,-0.8 20,-0.1 2,-0.2 -0.779 86.3-103.0-115.2 163.9 43.0 43.3 23.0 109 109 A E B 3 S+e 425 0B 5 315,-2.0 317,-2.1 -2,-0.3 343,-0.4 -0.498 97.9 16.7 -83.9 141.8 39.7 44.0 21.2 110 110 A G T 3> S+ 0 0 0 341,-0.4 4,-2.4 19,-0.3 -1,-0.2 0.652 82.9 131.5 75.2 18.0 39.1 46.5 18.4 111 111 A A H <> S+ 0 0 0 -3,-0.8 4,-1.5 2,-0.2 -2,-0.1 0.831 72.3 46.9 -67.3 -39.4 42.9 46.5 18.0 112 112 A A H > S+ 0 0 0 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.895 109.8 54.7 -69.9 -43.1 42.5 46.1 14.2 113 113 A R H >> S+ 0 0 43 1,-0.2 3,-1.3 2,-0.2 4,-0.9 0.977 107.2 50.4 -45.3 -69.5 39.9 48.9 14.2 114 114 A L H >< S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.3 4,-0.3 0.830 107.1 56.0 -29.3 -52.3 42.4 51.2 15.9 115 115 A A H >X S+ 0 0 0 -4,-1.5 4,-3.0 1,-0.3 3,-2.1 0.883 97.4 59.5 -64.8 -36.3 44.9 50.3 13.3 116 116 A T H < S- 0 0 1 -4,-3.0 3,-0.9 1,-0.2 2,-0.3 0.744 72.4-165.5 -57.6 -29.4 47.0 52.4 8.6 120 120 A G T 3< - 0 0 53 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.1 -0.558 62.9 -16.2 75.4-136.6 46.2 54.9 5.9 121 121 A N T 3 S+ 0 0 122 -2,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.828 113.6 102.2 -67.7 -32.3 45.6 53.5 2.4 122 122 A V S < S- 0 0 9 -3,-0.9 -21,-0.2 -26,-0.1 -22,-0.1 -0.412 77.7-125.5 -60.6 114.3 47.1 50.2 3.5 123 123 A P - 0 0 0 0, 0.0 -21,-2.1 0, 0.0 2,-0.5 -0.262 18.5-138.5 -67.5 144.4 44.3 47.7 4.3 124 124 A V E - d 0 102A 0 -23,-0.2 -115,-0.8 -21,-0.1 2,-0.6 -0.908 10.3-160.7-110.1 128.6 44.3 46.0 7.7 125 125 A L E -ad 9 103A 0 -23,-3.8 -21,-2.9 -2,-0.5 2,-0.6 -0.915 13.6-141.2-111.4 119.0 43.5 42.3 8.1 126 126 A N E - d 0 104A 2 -117,-2.0 10,-0.7 -2,-0.6 -21,-0.2 -0.644 18.0-178.5 -80.9 117.9 42.4 41.1 11.6 127 127 A A E S- 0 0 0 -23,-3.0 -22,-0.2 -2,-0.6 -1,-0.1 0.363 76.5 -39.0 -94.9 5.2 43.9 37.7 12.5 128 128 A G E - d 0 105A 0 -24,-0.6 -22,-2.7 -118,-0.1 2,-0.6 -0.068 52.3-156.8 139.6 122.8 42.0 37.9 15.8 129 129 A D E > - d 0 106A 0 4,-1.9 3,-1.8 -24,-0.2 -19,-0.3 -0.809 57.2 -74.4-124.8 96.5 41.4 40.8 18.2 130 130 A G T 3 S- 0 0 0 -24,-2.0 37,-0.3 -2,-0.6 -1,-0.2 -0.340 104.1 -23.1 58.0-134.8 40.7 39.4 21.7 131 131 A S T 3 S+ 0 0 12 -24,-0.1 -1,-0.2 35,-0.1 39,-0.2 0.593 126.2 87.4 -82.8 -7.3 37.3 37.9 22.1 132 132 A N S < S- 0 0 0 -3,-1.8 39,-0.3 1,-0.1 38,-0.2 0.614 86.4 -14.9 -76.4-125.7 36.2 39.9 19.2 133 133 A Q + 0 0 1 -4,-0.2 -4,-1.9 37,-0.1 35,-0.2 -0.075 32.7 175.9 -84.6 165.9 36.4 38.9 15.7 134 134 A H > + 0 0 5 33,-0.3 4,-1.8 -6,-0.2 38,-0.1 -0.475 19.7 163.3-165.0 66.2 38.3 36.3 13.7 135 135 A P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.916 72.5 53.3 -66.8 -49.3 37.0 36.8 10.2 136 136 A T H > S+ 0 0 2 -10,-0.7 4,-1.7 1,-0.3 5,-0.2 0.865 108.4 54.8 -57.7 -33.0 39.6 34.9 8.2 137 137 A Q H > S+ 0 0 10 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.967 106.6 50.1 -61.2 -47.0 38.8 32.0 10.5 138 138 A T H X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 5,-0.3 0.911 104.6 58.3 -58.6 -42.3 35.2 32.3 9.6 139 139 A L H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.934 108.4 43.3 -56.0 -49.9 36.0 32.3 5.9 140 140 A L H X S+ 0 0 5 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.874 113.0 56.3 -64.0 -32.7 37.8 28.9 6.0 141 141 A D H X S+ 0 0 0 -4,-2.2 4,-3.2 -5,-0.2 3,-0.5 0.991 109.7 42.2 -59.0 -60.8 35.0 27.7 8.3 142 142 A L H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.3 5,-0.3 0.890 112.1 55.3 -49.4 -48.1 32.3 28.5 5.8 143 143 A F H X S+ 0 0 17 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.3 0.906 113.1 43.1 -54.2 -40.8 34.4 27.2 2.9 144 144 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 -3,-0.5 -2,-0.2 0.898 111.3 52.3 -74.1 -42.3 34.6 23.9 4.8 145 145 A I H X S+ 0 0 0 -4,-3.2 4,-1.3 1,-0.2 6,-0.4 0.954 115.0 43.1 -58.3 -45.4 31.0 23.8 5.9 146 146 A Q H X S+ 0 0 83 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.872 108.8 59.1 -67.2 -39.2 30.0 24.3 2.2 147 147 A E H < S+ 0 0 80 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.930 118.3 30.4 -50.7 -48.4 32.7 21.8 1.1 148 148 A T H < S+ 0 0 32 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.520 130.9 32.6 -97.3 -10.4 31.1 19.1 3.2 149 149 A Q H < S- 0 0 24 -4,-1.3 -3,-0.2 -5,-0.2 -2,-0.2 0.648 92.0-128.7-120.3 -24.9 27.4 20.1 3.2 150 150 A G S < S+ 0 0 56 -4,-2.1 2,-0.3 -5,-0.3 -4,-0.2 0.452 79.2 39.8 89.3 1.7 26.9 21.7 -0.2 151 151 A R - 0 0 94 -6,-0.4 -1,-0.1 1,-0.1 -2,-0.1 -0.995 59.1-141.9-166.7 168.6 25.2 24.8 1.2 152 152 A L S S+ 0 0 5 -2,-0.3 2,-0.3 -3,-0.1 3,-0.3 0.431 80.7 79.9-122.3 0.4 25.2 27.5 3.9 153 153 A D S S+ 0 0 52 1,-0.2 28,-0.2 26,-0.1 29,-0.1 -0.795 91.9 19.3-102.2 152.2 21.5 27.9 4.2 154 154 A N S S+ 0 0 86 26,-2.4 2,-0.3 -2,-0.3 28,-0.2 0.913 84.7 151.2 60.1 51.7 19.3 25.5 6.2 155 155 A L - 0 0 0 -3,-0.3 28,-2.8 21,-0.1 2,-0.8 -0.803 48.8-131.1-111.3 154.9 21.9 23.9 8.4 156 156 A H E -f 183 0C 54 -2,-0.3 68,-2.7 26,-0.2 67,-2.0 -0.905 35.7-176.0-101.4 107.8 21.8 22.4 11.8 157 157 A V E -fg 184 224C 0 26,-3.0 28,-2.7 -2,-0.8 2,-0.5 -0.939 12.7-168.8-117.3 118.2 24.8 24.0 13.6 158 158 A A E -fg 185 225C 0 66,-2.9 68,-2.7 -2,-0.5 2,-0.7 -0.925 3.1-165.1-108.4 119.0 25.9 23.1 17.1 159 159 A M E +fg 186 226C 0 26,-2.3 28,-1.8 -2,-0.5 2,-0.3 -0.916 14.2 178.7-109.8 110.3 28.5 25.3 18.8 160 160 A V E +fg 187 227C 0 66,-2.2 68,-0.7 -2,-0.7 2,-0.3 -0.773 39.3 29.0-107.4 150.4 30.0 23.7 21.9 161 161 A G S S- 0 0 9 26,-1.6 2,-0.7 -2,-0.3 68,-0.2 -0.805 106.1 -0.5 113.6-147.6 32.7 25.1 24.2 162 162 A D + 0 0 0 66,-0.4 7,-0.3 -2,-0.3 31,-0.1 -0.774 59.4 156.8 -85.9 110.8 33.6 28.6 25.2 163 163 A L + 0 0 1 29,-2.3 30,-0.2 -2,-0.7 -1,-0.2 0.569 65.9 65.8-109.8 -17.1 31.3 31.0 23.4 164 164 A K S S+ 0 0 77 28,-1.2 29,-0.1 30,-0.2 28,-0.1 0.931 121.4 20.5 -67.5 -42.6 31.6 34.0 25.7 165 165 A Y S S+ 0 0 29 27,-0.1 2,-1.3 29,-0.0 -1,-0.2 0.314 95.9 113.4-106.5 -0.5 35.3 34.4 24.8 166 166 A G > - 0 0 0 1,-0.2 4,-2.3 26,-0.2 3,-0.3 -0.618 37.3-180.0 -82.9 94.5 35.3 32.5 21.5 167 167 A R H > S+ 0 0 13 -2,-1.3 4,-2.3 -37,-0.3 -33,-0.3 0.903 83.1 64.6 -56.3 -37.8 36.1 35.1 18.8 168 168 A T H > S+ 0 0 15 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.908 108.4 35.7 -47.9 -53.6 35.8 32.1 16.5 169 169 A V H > S+ 0 0 0 -3,-0.3 4,-2.0 -7,-0.3 5,-0.3 0.798 110.1 65.9 -79.4 -23.0 32.1 31.5 17.2 170 170 A H H X S+ 0 0 1 -4,-2.3 4,-1.4 -38,-0.2 -2,-0.2 0.982 110.2 34.8 -55.2 -58.4 31.5 35.3 17.6 171 171 A S H X S+ 0 0 0 -4,-2.3 4,-1.8 -39,-0.3 -2,-0.2 0.945 117.3 51.7 -59.7 -55.1 32.2 35.9 13.9 172 172 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.3 5,-0.3 0.818 106.0 53.1 -63.3 -33.1 30.8 32.6 12.5 173 173 A T H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.954 111.0 48.6 -64.5 -43.6 27.4 32.9 14.2 174 174 A Q H < S+ 0 0 10 -4,-1.4 -2,-0.2 -5,-0.3 4,-0.2 0.840 110.7 54.8 -57.7 -34.3 27.2 36.4 12.6 175 175 A A H >< S+ 0 0 0 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.958 110.5 38.0 -73.8 -53.4 28.2 34.8 9.3 176 176 A L H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.3 -1,-0.2 0.717 104.1 71.9 -73.9 -11.7 25.6 32.1 8.8 177 177 A A T 3< S+ 0 0 2 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.606 89.4 63.1 -71.8 -11.5 23.0 34.4 10.4 178 178 A K T < S+ 0 0 49 -3,-1.5 -1,-0.3 -4,-0.2 2,-0.2 0.330 100.4 70.6 -84.5 -2.1 23.4 36.2 7.0 179 179 A F S < S- 0 0 6 -3,-1.9 2,-0.4 -27,-0.1 3,-0.4 -0.671 89.9-100.2-114.6 173.2 22.1 33.0 5.5 180 180 A D S S+ 0 0 104 -2,-0.2 -26,-2.4 1,-0.2 -25,-0.1 -0.778 85.3 3.7-110.5 140.7 18.6 31.5 5.7 181 181 A G S S+ 0 0 50 -2,-0.4 2,-0.6 -28,-0.2 -1,-0.2 0.882 76.5 164.5 68.5 43.7 16.9 28.8 7.8 182 182 A N - 0 0 3 -3,-0.4 2,-0.6 -28,-0.2 26,-0.4 -0.818 27.8-148.9-101.6 120.0 19.9 28.2 10.0 183 183 A R E -f 156 0C 65 -28,-2.8 -26,-3.0 -2,-0.6 2,-0.6 -0.740 12.1-162.5 -86.8 117.7 19.3 26.3 13.2 184 184 A F E -fh 157 209C 0 24,-2.3 26,-2.2 -2,-0.6 2,-0.5 -0.888 7.9-174.8-109.0 116.0 21.7 27.3 16.0 185 185 A Y E -fh 158 210C 3 -28,-2.7 -26,-2.3 -2,-0.6 2,-0.6 -0.902 11.2-157.7-103.0 126.9 22.1 24.9 19.0 186 186 A F E +fh 159 211C 6 24,-1.6 26,-2.2 -2,-0.5 2,-0.7 -0.872 14.3 179.3-116.9 115.9 24.3 26.3 21.8 187 187 A I E +f 160 0C 0 -28,-1.8 -26,-1.6 -2,-0.6 26,-0.1 -0.861 28.9 137.9-111.5 101.0 26.0 24.1 24.4 188 188 A A - 0 0 22 -2,-0.7 5,-0.1 24,-0.5 -26,-0.1 -0.998 58.7 -94.9-146.3 147.6 28.1 26.1 26.8 189 189 A P - 0 0 6 0, 0.0 -26,-0.2 0, 0.0 53,-0.0 -0.283 49.1-111.8 -49.5 142.2 29.0 26.5 30.5 190 190 A D S S+ 0 0 161 1,-0.2 3,-0.3 2,-0.2 -2,-0.0 0.689 118.0 42.1 -60.9 -19.2 26.6 29.1 32.0 191 191 A A S S+ 0 0 43 1,-0.2 -1,-0.2 48,-0.1 48,-0.0 0.793 113.7 49.2 -96.7 -31.5 29.5 31.5 32.4 192 192 A L S S+ 0 0 0 -28,-0.1 -29,-2.3 -29,-0.1 -28,-1.2 0.016 90.3 139.9 -88.9 27.3 31.2 30.9 29.0 193 193 A A - 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0 0 3 -5,-2.1 2,-0.3 -6,-0.2 -1,-0.2 -0.437 50.9-123.5 -71.7 155.0 59.2 42.6 82.4 534 69 C S E -b 508 0I 57 -27,-2.9 -25,-3.0 -30,-0.3 2,-0.3 -0.763 25.2-145.8 -96.8 143.1 58.1 39.8 80.1 535 70 C V E +b 509 0I 34 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.809 21.8 168.9-115.3 152.0 58.3 40.3 76.3 536 71 C V E +b 510 0I 80 -27,-2.2 -25,-1.5 -2,-0.3 2,-0.3 -0.948 28.6 90.9-156.4 131.6 56.1 39.1 73.5 537 72 C G E -b 511 0I 51 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.927 59.0 -78.5 177.0-152.3 56.0 40.2 69.8 538 73 C F E -b 512 0I 42 -27,-2.0 -25,-2.5 -2,-0.3 3,-0.1 -0.996 6.2-152.4-148.4 141.8 57.4 39.7 66.3 539 74 C S S S+ 0 0 72 -2,-0.3 2,-0.3 1,-0.2 -22,-0.1 0.566 91.0 28.9 -86.0 -8.6 60.5 40.7 64.4 540 75 C D > - 0 0 73 1,-0.1 3,-0.7 -26,-0.1 -1,-0.2 -0.971 61.6-143.4-158.6 139.6 58.5 40.6 61.3 541 76 C S G > S+ 0 0 25 -2,-0.3 3,-1.4 1,-0.2 6,-0.5 0.470 81.9 93.5 -71.9 -10.4 55.0 41.2 60.0 542 77 C A G 3 S+ 0 0 34 1,-0.3 -1,-0.2 5,-0.1 -28,-0.0 0.793 90.0 37.5 -64.1 -29.0 55.3 38.4 57.4 543 78 C N G < S+ 0 0 142 -3,-0.7 -1,-0.3 4,-0.1 2,-0.2 0.247 96.2 101.1-111.9 19.6 53.8 35.7 59.5 544 79 C T S <> S- 0 0 26 -3,-1.4 4,-2.0 1,-0.1 5,-0.4 -0.500 87.8-111.6 -88.8 167.5 51.2 37.8 61.2 545 80 C S T 4>S+ 0 0 48 1,-0.2 6,-1.9 2,-0.2 5,-0.9 0.678 123.6 58.9 -73.9 -14.8 47.5 37.7 60.1 546 81 C L T 45S+ 0 0 40 4,-0.3 -1,-0.2 3,-0.2 -4,-0.1 0.868 108.2 45.0 -72.7 -40.0 48.3 41.2 59.0 547 82 C G T 45S+ 0 0 34 -6,-0.5 -2,-0.2 3,-0.1 -1,-0.1 0.827 133.3 11.6 -73.3 -34.7 51.0 39.9 56.7 548 83 C K T <5S+ 0 0 146 -4,-2.0 -3,-0.2 -7,-0.1 -2,-0.1 0.802 129.1 43.6-115.3 -42.5 49.1 36.9 55.2 549 84 C K T 5S- 0 0 174 -5,-0.4 -3,-0.2 -4,-0.2 -4,-0.1 0.696 107.8-114.9 -80.3 -18.2 45.4 37.1 56.0 550 85 C G < + 0 0 62 -5,-0.9 -4,-0.3 -6,-0.2 -3,-0.1 0.803 47.9 174.5 91.8 33.0 45.3 40.8 55.2 551 86 C E - 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