==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 04-SEP-09 3IXM . COMPND 2 MOLECULE: ARYLMALONATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA BRONCHISEPTICA; . AUTHOR M.NAKASAKO,R.OBATA . 233 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9957.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 13 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 1 2 0 0 0 1 0 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 2 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 7 A P 0 0 89 0, 0.0 2,-0.4 0, 0.0 60,-0.1 0.000 360.0 360.0 360.0 133.9 31.7 -4.8 -12.4 2 8 A T - 0 0 39 58,-0.4 60,-3.4 23,-0.1 61,-0.8 -0.611 360.0-147.8 -83.7 134.2 32.6 -8.1 -10.8 3 9 A I E -ab 27 63A 3 23,-2.2 25,-2.6 -2,-0.4 2,-0.4 -0.865 7.1-151.8-105.4 127.0 30.3 -9.2 -8.0 4 10 A G E -ab 28 64A 0 59,-2.4 61,-2.4 -2,-0.5 2,-0.4 -0.796 11.0-169.0 -99.3 139.1 31.8 -11.2 -5.1 5 11 A M E -ab 29 65A 0 23,-2.8 25,-2.2 -2,-0.4 2,-0.5 -0.991 14.7-150.6-129.2 131.0 29.8 -13.7 -3.1 6 12 A I E -ab 30 66A 0 59,-2.8 61,-2.7 -2,-0.4 25,-0.2 -0.872 27.2-172.9 -96.1 129.3 30.6 -15.4 0.1 7 13 A V E -a 31 0A 3 23,-2.2 25,-2.7 -2,-0.5 26,-0.3 -0.821 30.7-117.3-123.7 155.2 28.8 -18.8 0.2 8 14 A P S S+ 0 0 29 0, 0.0 26,-1.8 0, 0.0 25,-1.4 0.914 84.0 79.6 -57.1 -47.6 28.4 -21.6 2.9 9 15 A P S > S- 0 0 61 0, 0.0 3,-0.6 0, 0.0 24,-0.2 -0.208 80.2-123.9 -76.9 163.9 30.1 -24.6 1.3 10 16 A A T 3 S+ 0 0 80 1,-0.2 21,-0.4 22,-0.2 -3,-0.0 0.829 105.6 65.5 -65.6 -33.3 33.9 -25.1 1.3 11 17 A A T 3 S- 0 0 76 19,-0.1 -1,-0.2 1,-0.0 20,-0.2 0.787 97.6-135.2 -67.3 -32.6 34.1 -25.3 -2.4 12 18 A G < + 0 0 17 -3,-0.6 17,-0.3 18,-0.2 2,-0.3 0.978 35.8 173.0 79.3 56.1 33.0 -21.8 -3.0 13 19 A L - 0 0 112 17,-0.1 -1,-0.2 15,-0.1 17,-0.1 -0.752 38.6-108.7-103.6 136.9 30.4 -22.2 -5.8 14 20 A V - 0 0 57 -2,-0.3 15,-0.1 15,-0.1 -1,-0.0 -0.468 47.6-102.2 -63.8 131.7 28.1 -19.4 -7.2 15 21 A P - 0 0 28 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 -0.325 24.5-143.6 -54.7 140.1 24.5 -20.1 -6.0 16 22 A A S >> S+ 0 0 79 1,-0.1 2,-1.0 2,-0.1 3,-0.8 0.836 79.2 80.6 -74.4 -34.0 22.4 -21.7 -8.8 17 23 A D T 34 S+ 0 0 11 1,-0.2 193,-0.2 2,-0.1 -1,-0.1 -0.625 104.7 13.1 -87.4 104.2 19.1 -19.9 -7.9 18 24 A G T >4 S+ 0 0 0 -2,-1.0 3,-1.4 191,-0.1 4,-0.4 0.059 94.6 101.1 125.0 -23.4 19.2 -16.3 -9.3 19 25 A A G X4 S+ 0 0 31 -3,-0.8 3,-1.9 -4,-0.3 6,-0.2 0.864 73.2 66.6 -65.9 -35.5 22.2 -16.6 -11.6 20 26 A R G 3< S+ 0 0 82 -4,-0.5 -1,-0.3 1,-0.3 204,-0.1 0.710 90.4 66.2 -48.7 -31.3 19.8 -17.0 -14.6 21 27 A L G < S+ 0 0 0 -3,-1.4 203,-1.7 1,-0.3 -1,-0.3 0.771 111.9 31.1 -64.9 -29.2 18.7 -13.4 -14.0 22 28 A Y X + 0 0 11 -3,-1.9 3,-1.5 -4,-0.4 -1,-0.3 -0.482 67.4 157.6-132.4 60.1 22.2 -12.1 -14.9 23 29 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.710 76.8 49.0 -65.1 -21.1 23.8 -14.4 -17.5 24 30 A D T 3 S+ 0 0 149 2,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.572 92.9 97.1 -91.2 -9.3 26.2 -11.8 -18.8 25 31 A L S < S- 0 0 40 -3,-1.5 2,-0.4 -6,-0.2 -23,-0.1 -0.546 74.5-118.5 -94.3 144.6 27.5 -10.7 -15.5 26 32 A P - 0 0 59 0, 0.0 -23,-2.2 0, 0.0 2,-0.4 -0.669 32.6-179.8 -82.6 128.7 30.7 -11.8 -13.7 27 33 A F E -a 3 0A 36 -2,-0.4 2,-0.4 -25,-0.2 -23,-0.2 -0.990 5.9-172.1-125.7 131.8 30.2 -13.5 -10.3 28 34 A I E -a 4 0A 48 -25,-2.6 -23,-2.8 -2,-0.4 2,-0.3 -0.990 8.2-160.9-124.4 137.5 33.0 -14.9 -8.2 29 35 A A E -a 5 0A 18 -2,-0.4 2,-0.4 -17,-0.3 -23,-0.2 -0.880 10.7-164.3-120.5 152.4 32.4 -16.9 -5.0 30 36 A S E -a 6 0A 9 -25,-2.2 -23,-2.2 -2,-0.3 2,-0.4 -0.998 22.1-133.7-133.6 129.5 34.5 -17.8 -2.0 31 37 A G E -a 7 0A 9 -21,-0.4 -21,-0.2 -2,-0.4 -25,-0.1 -0.682 10.5-161.2 -96.5 132.6 33.4 -20.7 0.3 32 38 A L - 0 0 20 -25,-2.7 -22,-0.2 -2,-0.4 -1,-0.1 0.832 24.7-142.4 -74.7 -32.8 33.3 -20.4 4.1 33 39 A G + 0 0 41 -25,-1.4 -23,-0.1 -26,-0.3 -2,-0.0 0.909 38.6 165.1 63.3 45.7 33.3 -24.2 4.6 34 40 A L - 0 0 36 -26,-1.8 3,-0.1 1,-0.1 4,-0.0 0.809 36.8-148.2 -65.1 -39.0 31.0 -23.6 7.5 35 41 A G S S+ 0 0 93 -27,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.113 85.9 42.5 78.1 -24.7 29.5 -27.1 8.3 36 42 A S - 0 0 47 -28,-0.1 -2,-0.1 4,-0.1 -1,-0.1 -0.928 63.7-151.6-136.6 165.8 26.5 -25.0 9.2 37 43 A V S S+ 0 0 44 -2,-0.3 37,-0.2 1,-0.1 -1,-0.1 0.287 107.1 42.9-108.7 0.3 24.5 -22.0 7.9 38 44 A T S S+ 0 0 51 35,-0.1 -1,-0.1 34,-0.1 33,-0.0 -0.553 92.0 175.8-136.6 65.8 23.5 -21.2 11.4 39 45 A P - 0 0 13 0, 0.0 2,-0.3 0, 0.0 6,-0.1 -0.291 32.1-120.7 -79.9 158.3 26.9 -21.8 13.3 40 46 A E S S+ 0 0 188 1,-0.1 -4,-0.1 4,-0.0 -2,-0.0 -0.649 79.5 75.2 -77.7 152.1 28.0 -21.2 16.8 41 47 A G > - 0 0 32 -2,-0.3 4,-3.0 3,-0.1 5,-0.3 0.840 52.2-165.6 106.6 64.9 30.9 -18.8 17.3 42 48 A Y H > S+ 0 0 103 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.889 93.7 38.1 -38.9 -57.8 29.8 -15.2 16.9 43 49 A D H > S+ 0 0 110 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.896 114.6 52.8 -65.5 -47.6 33.4 -14.0 16.6 44 50 A A H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.863 109.9 49.9 -54.7 -42.7 34.7 -17.0 14.5 45 51 A V H X S+ 0 0 4 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.956 111.8 46.4 -63.6 -52.4 31.9 -16.5 12.0 46 52 A I H X S+ 0 0 21 -4,-2.0 4,-2.8 -5,-0.3 -2,-0.2 0.925 112.9 52.8 -55.1 -44.7 32.6 -12.7 11.6 47 53 A E H X S+ 0 0 119 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.873 111.9 42.2 -58.5 -47.2 36.3 -13.7 11.3 48 54 A S H X S+ 0 0 37 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.885 113.3 53.5 -67.7 -39.0 35.9 -16.2 8.5 49 55 A V H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.937 111.4 46.6 -62.3 -45.5 33.4 -13.9 6.7 50 56 A V H X S+ 0 0 29 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.937 110.9 51.6 -57.9 -49.5 36.1 -11.1 6.9 51 57 A D H X S+ 0 0 68 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.925 113.6 44.4 -51.6 -48.5 38.8 -13.5 5.7 52 58 A H H X S+ 0 0 13 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.821 109.0 55.4 -71.8 -32.2 36.6 -14.5 2.7 53 59 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.927 108.7 49.7 -61.8 -42.4 35.6 -10.9 1.9 54 60 A R H X S+ 0 0 124 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.881 107.5 53.9 -64.7 -37.8 39.3 -10.0 1.7 55 61 A R H X S+ 0 0 116 -4,-1.9 4,-1.0 -5,-0.2 -1,-0.2 0.903 110.1 47.5 -62.1 -38.9 39.9 -13.0 -0.6 56 62 A L H <>S+ 0 0 1 -4,-1.9 5,-2.1 2,-0.2 3,-0.2 0.891 108.5 53.5 -69.9 -39.1 37.2 -11.7 -2.9 57 63 A Q H ><5S+ 0 0 84 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.935 106.6 53.1 -59.6 -43.7 38.5 -8.1 -2.8 58 64 A K H 3<5S+ 0 0 167 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.774 105.1 56.5 -64.3 -24.4 42.0 -9.5 -4.0 59 65 A Q T 3<5S- 0 0 102 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.341 127.0 -98.0 -86.4 4.0 40.2 -11.2 -6.9 60 66 A G T < 5 + 0 0 50 -3,-1.9 -58,-0.4 1,-0.2 -3,-0.2 0.540 61.6 164.3 94.4 8.2 38.7 -7.9 -8.1 61 67 A A < - 0 0 8 -5,-2.1 -1,-0.2 1,-0.1 -58,-0.2 -0.335 27.5-158.5 -54.0 138.1 35.2 -7.9 -6.7 62 68 A A S S+ 0 0 38 -60,-3.4 2,-0.3 1,-0.2 -59,-0.2 0.664 79.9 8.3 -91.4 -23.6 33.6 -4.4 -6.8 63 69 A V E S-b 3 0A 2 -61,-0.8 -59,-2.4 30,-0.2 2,-0.4 -0.966 70.7-138.6-146.9 163.6 31.1 -5.4 -4.0 64 70 A V E -bc 4 95A 0 30,-1.6 32,-2.0 -2,-0.3 2,-0.5 -0.993 13.2-171.1-127.2 132.3 30.7 -8.4 -1.7 65 71 A S E -bc 5 96A 0 -61,-2.4 -59,-2.8 -2,-0.4 2,-1.0 -0.986 24.3-136.5-116.0 132.5 27.5 -10.1 -0.7 66 72 A L E -bc 6 97A 0 30,-2.4 32,-2.5 -2,-0.5 2,-1.8 -0.778 27.3-156.2 -78.3 105.3 27.2 -12.7 2.0 67 73 A M + 0 0 7 -61,-2.7 2,-0.3 -2,-1.0 -1,-0.1 -0.488 56.9 92.7 -97.3 64.7 25.0 -15.0 -0.0 68 74 A C > - 0 0 12 -2,-1.8 4,-0.8 -61,-0.1 31,-0.4 -0.836 52.6-162.8-151.6 120.8 23.2 -16.9 2.6 69 75 A T H >> S+ 0 0 7 -2,-0.3 4,-1.3 29,-0.2 3,-0.9 0.978 90.3 48.0 -65.2 -58.2 19.9 -15.9 4.1 70 76 A S H >> S+ 0 0 12 1,-0.3 4,-2.4 2,-0.2 3,-0.7 0.892 110.3 52.1 -51.4 -47.9 20.0 -18.1 7.3 71 77 A L H 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.809 113.3 45.4 -62.3 -30.3 23.5 -17.0 8.3 72 78 A S H << S+ 0 0 0 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.665 123.6 31.1 -91.3 -12.5 22.6 -13.4 7.9 73 79 A F H X< S+ 0 0 0 -4,-1.3 3,-2.0 -3,-0.7 -2,-0.2 0.624 90.5 88.4-114.1 -12.8 19.3 -13.5 9.9 74 80 A Y T 3< S+ 0 0 12 -4,-2.4 -3,-0.1 1,-0.3 -2,-0.1 0.703 97.2 39.7 -71.0 -17.2 19.6 -16.2 12.5 75 81 A R T 3 S- 0 0 83 1,-0.3 4,-0.4 -4,-0.2 -1,-0.3 0.098 115.4-114.8-115.5 19.6 21.0 -13.9 15.1 76 82 A G X> - 0 0 14 -3,-2.0 4,-1.7 1,-0.2 3,-1.0 -0.033 48.1 -44.7 78.6-177.4 18.8 -10.9 14.3 77 83 A A H 3> S+ 0 0 19 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.782 127.5 61.4 -60.6 -36.3 19.4 -7.5 12.9 78 84 A A H 3> S+ 0 0 73 -3,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.815 109.0 44.3 -63.9 -33.4 22.4 -6.6 15.1 79 85 A F H <> S+ 0 0 2 -3,-1.0 4,-2.8 -4,-0.4 -2,-0.2 0.873 109.3 52.9 -80.9 -39.8 24.3 -9.5 13.5 80 86 A N H X S+ 0 0 8 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.940 115.0 45.0 -55.9 -45.9 23.3 -8.8 9.9 81 87 A A H X S+ 0 0 51 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.924 111.1 52.1 -62.0 -45.5 24.6 -5.3 10.6 82 88 A A H X S+ 0 0 29 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.921 109.6 50.4 -62.1 -41.2 27.7 -6.5 12.3 83 89 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.931 112.6 46.2 -55.8 -49.9 28.5 -8.8 9.3 84 90 A T H X S+ 0 0 26 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.891 113.6 47.1 -63.9 -46.1 28.0 -5.9 6.9 85 91 A V H X S+ 0 0 67 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.952 112.7 49.9 -64.4 -46.6 30.1 -3.4 8.8 86 92 A A H X S+ 0 0 25 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.901 112.2 47.1 -59.8 -46.5 32.9 -5.9 9.3 87 93 A M H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 6,-0.3 0.940 112.9 48.7 -58.7 -49.9 33.1 -6.8 5.6 88 94 A R H X S+ 0 0 97 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.898 113.3 46.7 -61.8 -40.6 33.0 -3.2 4.4 89 95 A E H < S+ 0 0 138 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.893 113.8 47.5 -68.1 -39.5 35.8 -2.1 6.8 90 96 A A H < S+ 0 0 20 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.810 127.3 26.2 -71.4 -27.5 38.0 -5.1 6.0 91 97 A T H < S- 0 0 19 -4,-1.9 -2,-0.2 2,-0.2 -3,-0.2 0.725 86.2-134.2-105.0 -27.4 37.5 -4.6 2.2 92 98 A G S < S+ 0 0 67 -4,-2.9 -4,-0.1 1,-0.3 -3,-0.1 0.613 72.0 115.7 67.8 15.5 36.8 -0.9 1.5 93 99 A L S S- 0 0 30 -6,-0.3 -1,-0.3 -5,-0.3 2,-0.3 -0.788 80.6 -97.8-107.1 155.9 34.0 -2.2 -0.8 94 100 A P - 0 0 61 0, 0.0 -30,-1.6 0, 0.0 2,-0.3 -0.576 51.2-170.0 -65.4 133.0 30.2 -1.8 -0.5 95 101 A C E +c 64 0A 12 -2,-0.3 2,-0.3 -32,-0.2 -30,-0.2 -0.914 14.1 166.3-128.7 158.5 29.0 -5.1 1.2 96 102 A T E -c 65 0A 6 -32,-2.0 -30,-2.4 -2,-0.3 2,-0.3 -0.859 21.9-129.2-155.5-178.9 25.6 -6.5 1.8 97 103 A T E > -c 66 0A 0 -2,-0.3 4,-2.4 -32,-0.3 3,-0.2 -0.954 29.5-108.4-143.8 161.1 23.9 -9.8 2.8 98 104 A M H > S+ 0 0 8 -32,-2.5 4,-2.0 -2,-0.3 -29,-0.2 0.840 119.6 55.1 -60.8 -31.8 21.1 -12.0 1.5 99 105 A S H > S+ 0 0 1 -31,-0.4 4,-2.2 -33,-0.2 -1,-0.2 0.889 108.3 47.6 -68.6 -37.4 18.9 -10.9 4.5 100 106 A T H > S+ 0 0 33 -3,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.892 109.5 55.5 -64.7 -37.9 19.4 -7.2 3.6 101 107 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.908 107.0 48.8 -58.9 -45.2 18.6 -8.2 0.0 102 108 A V H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.929 111.8 48.5 -61.9 -49.0 15.3 -9.7 1.2 103 109 A L H X S+ 0 0 6 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.910 111.2 50.9 -55.6 -45.0 14.4 -6.6 3.2 104 110 A N H X S+ 0 0 38 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.853 111.4 47.7 -62.1 -39.9 15.3 -4.4 0.2 105 111 A G H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.905 111.1 49.8 -68.1 -44.9 13.0 -6.5 -2.1 106 112 A L H <>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 4,-0.3 0.900 113.5 46.6 -62.6 -44.4 10.1 -6.5 0.4 107 113 A R H ><5S+ 0 0 123 -4,-2.4 3,-1.3 -5,-0.2 -1,-0.2 0.892 107.2 56.1 -60.1 -43.0 10.3 -2.7 0.7 108 114 A A H 3<5S+ 0 0 62 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.799 111.5 45.2 -62.9 -28.7 10.6 -2.1 -3.0 109 115 A L T 3<5S- 0 0 41 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.436 115.2-117.7 -94.0 -3.3 7.3 -4.0 -3.4 110 116 A G T < 5 + 0 0 54 -3,-1.3 2,-0.3 -4,-0.3 -3,-0.2 0.574 57.4 158.6 81.8 13.7 5.6 -2.2 -0.5 111 117 A V < + 0 0 5 -5,-2.4 -1,-0.2 -6,-0.2 3,-0.1 -0.504 15.1 149.0 -77.5 127.0 5.1 -5.3 1.5 112 118 A R + 0 0 132 -2,-0.3 26,-2.9 1,-0.2 2,-0.6 0.490 67.7 58.9-126.6 -8.6 4.6 -5.1 5.3 113 119 A R E S-d 138 0B 98 24,-0.2 63,-3.2 61,-0.1 64,-1.1 -0.944 79.1-172.5-114.4 102.7 2.4 -8.0 6.1 114 120 A V E -de 139 177B 0 24,-2.1 26,-2.2 -2,-0.6 27,-0.6 -0.880 20.2-154.0-115.8 125.0 4.5 -10.9 4.9 115 121 A A E -de 141 178B 0 62,-2.4 64,-2.7 -2,-0.5 2,-0.4 -0.700 22.9-136.0 -86.7 138.1 3.6 -14.7 4.5 116 122 A L E +de 142 179B 2 25,-2.5 27,-2.1 -2,-0.3 2,-0.4 -0.853 22.9 179.5-102.9 135.5 6.6 -17.1 4.7 117 123 A A E +de 143 180B 0 62,-2.7 64,-2.5 -2,-0.4 2,-0.2 -0.959 29.3 155.9-127.5 108.2 7.1 -20.0 2.4 118 124 A T E -de 144 181B 0 25,-2.1 27,-2.4 -2,-0.4 64,-0.2 -0.775 54.2-139.4-133.0 172.4 10.3 -21.8 3.4 119 125 A A S S+ 0 0 25 62,-1.5 2,-0.2 -2,-0.2 63,-0.1 -0.062 71.4 112.9-114.1 26.3 12.4 -24.9 3.4 120 126 A Y - 0 0 29 61,-0.2 26,-0.3 1,-0.1 2,-0.1 -0.516 69.9-106.6 -95.7 167.0 13.7 -24.4 6.9 121 127 A I > - 0 0 116 -2,-0.2 4,-2.6 1,-0.1 3,-0.4 -0.462 44.4 -95.9 -81.5 165.2 13.1 -26.2 10.3 122 128 A D H > S+ 0 0 127 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.853 122.0 50.9 -49.0 -50.6 10.8 -24.6 12.9 123 129 A D H > S+ 0 0 79 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.885 113.3 47.0 -59.7 -40.6 13.6 -22.9 15.0 124 130 A V H > S+ 0 0 14 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.915 110.1 50.8 -69.2 -45.3 15.0 -21.3 11.9 125 131 A N H X S+ 0 0 13 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.871 109.1 54.4 -57.1 -35.4 11.6 -20.1 10.6 126 132 A E H X S+ 0 0 120 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.929 107.8 47.9 -66.6 -39.5 11.1 -18.6 14.1 127 133 A R H X S+ 0 0 100 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.878 111.2 52.0 -66.0 -37.9 14.4 -16.7 13.8 128 134 A L H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.947 109.8 47.7 -62.1 -49.9 13.4 -15.5 10.4 129 135 A A H X S+ 0 0 30 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.915 112.2 51.0 -57.0 -40.9 10.0 -14.3 11.7 130 136 A A H X S+ 0 0 54 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.880 109.6 50.2 -63.4 -42.9 11.9 -12.5 14.6 131 137 A F H X S+ 0 0 2 -4,-2.5 4,-0.6 2,-0.2 -1,-0.2 0.901 112.0 46.2 -60.1 -45.0 14.3 -10.8 12.2 132 138 A L H ><>S+ 0 0 0 -4,-2.3 5,-1.5 1,-0.2 3,-1.0 0.899 108.9 55.5 -72.3 -37.5 11.5 -9.5 10.0 133 139 A A H ><5S+ 0 0 58 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.865 105.6 54.0 -55.7 -35.8 9.6 -8.3 13.1 134 140 A E H 3<5S+ 0 0 109 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.687 105.9 54.0 -71.1 -19.7 12.7 -6.3 14.1 135 141 A E T <<5S- 0 0 48 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.099 124.1 -98.1-106.5 19.7 12.6 -4.7 10.7 136 142 A S T < 5S+ 0 0 77 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.885 83.8 123.5 65.2 41.6 9.1 -3.4 10.8 137 143 A L < - 0 0 8 -5,-1.5 -1,-0.3 -8,-0.1 -24,-0.2 -0.904 57.7-133.2-121.3 155.4 7.4 -6.2 8.9 138 144 A V E -d 113 0B 62 -26,-2.9 -24,-2.1 -2,-0.3 2,-0.6 -0.905 12.2-147.9-109.8 106.8 4.6 -8.3 10.2 139 145 A P E -d 114 0B 38 0, 0.0 -24,-0.2 0, 0.0 3,-0.1 -0.612 14.9-172.2 -74.8 119.9 5.2 -12.0 9.6 140 146 A T E - 0 0 30 -26,-2.2 2,-0.3 -2,-0.6 -25,-0.2 0.545 54.5 -43.8 -93.5 -8.6 1.7 -13.3 9.1 141 147 A G E -d 115 0B 31 -27,-0.6 -25,-2.5 31,-0.1 2,-0.3 -0.893 52.0-126.9 161.6 175.6 2.3 -17.1 9.0 142 148 A C E -d 116 0B 58 -2,-0.3 2,-0.4 -27,-0.2 -25,-0.2 -0.990 10.8-171.8-153.2 136.6 4.6 -19.7 7.6 143 149 A R E -d 117 0B 127 -27,-2.1 -25,-2.1 -2,-0.3 2,-0.3 -0.996 18.1-161.7-125.8 137.1 4.3 -22.9 5.6 144 150 A S E -d 118 0B 34 -2,-0.4 -25,-0.2 -27,-0.2 38,-0.0 -0.897 28.2-129.9-123.5 151.1 7.4 -25.1 5.0 145 151 A L - 0 0 32 -27,-2.4 -26,-0.2 -2,-0.3 -1,-0.1 0.805 33.6-152.4 -64.5 -34.9 8.4 -27.9 2.6 146 152 A G + 0 0 72 -26,-0.3 2,-0.3 -28,-0.2 -27,-0.1 0.794 45.3 132.6 67.0 33.7 9.5 -30.1 5.5 147 153 A I - 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