==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 14-APR-10 3MK5 . COMPND 2 MOLECULE: 3,4-DIHYDROXY-2-BUTANONE 4-PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.SINGH,S.KARTHIKEYAN . 191 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9717.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 11.5 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 . 9 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 1 0 1 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 3 0 1 1 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 . 1 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 0 A H 0 0 240 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.9 44.2 -10.9 24.0 2 1 A M - 0 0 186 165,-0.0 2,-0.1 0, 0.0 161,-0.0 -0.948 360.0-136.8-113.1 113.7 43.2 -12.7 20.7 3 2 A T - 0 0 35 -2,-0.6 2,-0.1 1,-0.1 164,-0.0 -0.430 26.9-104.5 -73.2 136.9 39.5 -12.5 19.9 4 3 A R - 0 0 128 -2,-0.1 2,-0.4 163,-0.1 -1,-0.1 -0.363 32.5-160.8 -64.6 132.8 37.8 -15.7 18.7 5 4 A L - 0 0 60 -2,-0.1 176,-0.2 174,-0.0 174,-0.0 -0.932 16.6-124.6-110.3 140.7 37.0 -15.9 15.0 6 5 A D - 0 0 8 174,-2.4 176,-0.2 -2,-0.4 2,-0.2 -0.290 33.5 -95.6 -70.4 161.9 34.4 -18.4 13.7 7 6 A S >> - 0 0 55 1,-0.1 4,-1.9 174,-0.1 3,-0.6 -0.557 25.4-123.4 -73.4 146.6 35.2 -20.9 11.0 8 7 A V H 3> S+ 0 0 5 1,-0.2 4,-3.2 -2,-0.2 5,-0.3 0.886 113.3 64.1 -53.4 -39.0 34.4 -20.0 7.4 9 8 A E H 3> S+ 0 0 90 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.872 103.4 46.0 -56.4 -38.6 32.3 -23.2 7.3 10 9 A R H <> S+ 0 0 136 -3,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.909 111.0 51.7 -71.0 -43.5 30.0 -21.6 10.0 11 10 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.949 111.8 47.6 -53.5 -50.2 29.8 -18.3 8.1 12 11 A V H X S+ 0 0 20 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.925 111.0 50.7 -58.3 -45.0 28.8 -20.2 4.9 13 12 A A H X S+ 0 0 56 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.918 110.1 50.4 -63.7 -39.8 26.2 -22.3 6.8 14 13 A D H <>S+ 0 0 20 -4,-2.8 5,-3.0 2,-0.2 4,-0.3 0.946 109.6 50.1 -56.9 -51.6 24.8 -19.0 8.3 15 14 A I H ><5S+ 0 0 1 -4,-2.6 3,-1.8 1,-0.2 21,-0.3 0.945 111.0 50.2 -52.6 -50.0 24.6 -17.5 4.8 16 15 A A H 3<5S+ 0 0 42 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.837 106.5 54.9 -55.7 -40.0 22.8 -20.7 3.5 17 16 A A T 3<5S- 0 0 66 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.418 124.1-105.2 -76.0 2.9 20.3 -20.5 6.4 18 17 A G T < 5S+ 0 0 13 -3,-1.8 -3,-0.2 -4,-0.3 2,-0.2 0.726 80.0 130.7 78.0 22.7 19.4 -16.9 5.4 19 18 A K < - 0 0 104 -5,-3.0 17,-0.4 -6,-0.2 -1,-0.3 -0.540 54.4-113.5-101.8 171.2 21.4 -15.4 8.3 20 19 A A - 0 0 3 -2,-0.2 159,-0.6 15,-0.1 2,-0.3 -0.609 23.9-167.7-102.8 160.1 23.9 -12.6 8.4 21 20 A V E -Ab 34 179A 0 13,-2.3 13,-2.9 -2,-0.2 2,-0.5 -0.856 20.3-123.0-135.5 170.7 27.6 -12.7 9.2 22 21 A I E -Ab 33 180A 0 157,-2.8 159,-2.4 -2,-0.3 2,-0.5 -0.986 22.3-162.4-119.3 130.0 30.2 -10.1 9.9 23 22 A V E -Ab 32 181A 0 9,-2.5 9,-2.2 -2,-0.5 2,-0.4 -0.960 1.8-163.4-116.7 126.6 33.3 -9.9 7.8 24 23 A I E -Ab 31 182A 11 157,-2.9 159,-2.3 -2,-0.5 2,-0.5 -0.861 5.2-159.8 -99.0 134.3 36.5 -8.0 8.9 25 24 A D > - 0 0 20 5,-1.7 2,-2.5 -2,-0.4 3,-1.3 -0.978 17.7-140.9-107.9 124.5 39.3 -7.0 6.6 26 25 A D T 3 S+ 0 0 114 -2,-0.5 156,-0.0 1,-0.2 -2,-0.0 -0.401 89.6 75.6 -73.0 67.3 42.6 -6.3 8.4 27 26 A E T 3 0 0 163 -2,-2.5 -1,-0.2 3,-0.1 -3,-0.0 0.434 360.0 360.0-155.3 -27.4 43.2 -3.4 6.0 28 27 A D < 0 0 95 -3,-1.3 -2,-0.1 2,-0.1 -4,-0.0 0.627 360.0 360.0-109.3 360.0 40.9 -0.5 7.0 29 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 30 31 A E 0 0 78 0, 0.0 -5,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 120.0 36.6 -2.7 9.3 31 32 A G E -A 24 0A 7 -7,-0.2 124,-2.1 124,-0.2 2,-0.4 -0.796 360.0-167.9-100.7 135.5 33.6 -5.0 9.8 32 33 A D E -AC 23 154A 8 -9,-2.2 -9,-2.5 -2,-0.4 2,-0.4 -0.938 22.3-128.0-115.9 144.0 30.7 -5.3 7.4 33 34 A L E -AC 22 153A 0 120,-2.1 120,-1.4 -2,-0.4 2,-0.4 -0.792 37.2-173.2 -84.5 133.1 27.4 -7.0 8.0 34 35 A I E +AC 21 152A 0 -13,-2.9 -13,-2.3 -2,-0.4 2,-0.3 -0.995 17.8 157.3-136.6 129.9 26.8 -9.4 5.1 35 36 A F E - C 0 151A 1 116,-2.2 116,-2.8 -2,-0.4 2,-0.4 -0.886 49.8 -86.8-133.8 175.0 24.0 -11.7 3.9 36 37 A A E > - C 0 150A 0 -17,-0.4 3,-1.3 -21,-0.3 114,-0.3 -0.662 33.4-134.8 -80.3 132.7 22.9 -13.2 0.6 37 38 A A G > S+ 0 0 0 112,-2.2 3,-1.7 -2,-0.4 113,-0.2 0.850 104.3 57.8 -58.6 -34.9 20.8 -10.8 -1.5 38 39 A E G 3 S+ 0 0 63 111,-0.6 -1,-0.3 1,-0.3 61,-0.1 0.739 101.8 57.5 -69.0 -19.3 18.3 -13.5 -2.4 39 40 A K G < S+ 0 0 71 -3,-1.3 -1,-0.3 -20,-0.1 -2,-0.2 0.299 77.5 135.1 -91.0 6.3 17.7 -14.1 1.3 40 41 A A < + 0 0 2 -3,-1.7 59,-0.1 55,-0.2 -3,-0.0 -0.375 26.4 170.9 -63.3 130.3 16.7 -10.5 2.0 41 42 A T > - 0 0 59 -2,-0.1 4,-2.6 1,-0.1 5,-0.3 -0.891 48.7-106.1-128.0 163.0 13.6 -10.1 4.2 42 43 A P H > S+ 0 0 60 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.909 121.5 51.9 -53.9 -40.3 12.0 -7.0 5.7 43 44 A E H > S+ 0 0 165 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.901 111.3 44.0 -65.3 -44.5 13.4 -8.2 9.1 44 45 A M H > S+ 0 0 35 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.909 115.2 47.9 -72.0 -37.6 17.0 -8.6 7.9 45 46 A V H X S+ 0 0 0 -4,-2.6 4,-3.4 2,-0.2 5,-0.2 0.966 110.4 52.9 -62.6 -48.4 17.0 -5.4 6.0 46 47 A A H X S+ 0 0 47 -4,-2.9 4,-2.3 -5,-0.3 -2,-0.2 0.903 110.0 49.4 -49.8 -45.1 15.5 -3.6 9.1 47 48 A F H X S+ 0 0 42 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.943 112.7 46.0 -59.8 -51.8 18.4 -5.1 11.2 48 49 A M H X S+ 0 0 0 -4,-2.4 4,-1.2 2,-0.2 3,-0.4 0.905 110.4 53.7 -54.9 -47.2 21.0 -3.9 8.6 49 50 A V H >< S+ 0 0 57 -4,-3.4 3,-0.7 1,-0.2 -2,-0.2 0.924 103.6 58.1 -56.2 -42.6 19.4 -0.4 8.4 50 51 A R H 3< S+ 0 0 181 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.865 118.3 29.0 -54.8 -39.4 19.7 -0.2 12.2 51 52 A Y H 3< S+ 0 0 43 -4,-1.2 105,-2.1 -3,-0.4 -1,-0.2 0.361 91.1 118.1-110.6 6.8 23.5 -0.7 12.2 52 53 A T B << -G 155 0B 22 -4,-1.2 103,-0.2 -3,-0.7 4,-0.1 -0.492 56.6-146.3 -77.4 142.0 24.5 0.7 8.8 53 54 A S S S- 0 0 66 101,-2.1 -1,-0.1 2,-0.2 102,-0.1 0.638 75.7 -58.6 -73.4 -18.7 26.9 3.7 8.6 54 55 A G S S+ 0 0 46 1,-0.4 2,-0.1 100,-0.3 -2,-0.1 -0.341 107.4 54.3 177.3 -88.4 25.0 4.8 5.5 55 56 A Y - 0 0 131 -2,-0.0 2,-0.6 62,-0.0 -1,-0.4 -0.421 54.8-144.7 -83.2 148.4 24.5 2.9 2.3 56 57 A L - 0 0 3 60,-0.4 62,-2.6 -2,-0.1 2,-0.3 -0.975 29.9-165.3-106.4 123.3 23.1 -0.6 1.8 57 58 A C E -dE 118 152A 4 95,-2.6 95,-2.6 -2,-0.6 21,-0.0 -0.725 21.2-150.3-115.1 154.2 25.0 -2.2 -1.0 58 59 A V E -d 119 0A 0 60,-3.0 62,-2.6 -2,-0.3 93,-0.2 -0.860 15.5-153.3-127.3 91.7 24.5 -5.3 -3.2 59 60 A P E -d 120 0A 0 0, 0.0 91,-2.3 0, 0.0 2,-0.4 -0.493 20.8-166.8 -63.7 134.8 27.8 -6.9 -4.4 60 61 A L E -dF 121 149A 0 60,-3.0 62,-3.1 89,-0.2 89,-0.2 -0.974 24.0-108.2-132.2 142.0 27.1 -8.7 -7.6 61 62 A D >> - 0 0 23 87,-1.8 4,-2.0 -2,-0.4 3,-0.6 -0.278 38.3-111.7 -56.4 147.1 29.0 -11.2 -9.7 62 63 A G H 3> S+ 0 0 1 60,-0.3 4,-2.6 1,-0.2 5,-0.1 0.838 116.6 56.5 -53.5 -37.7 30.4 -9.7 -13.0 63 64 A A H 3> S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.836 107.6 48.6 -67.2 -35.2 28.0 -11.8 -15.2 64 65 A I H <> S+ 0 0 8 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.912 111.0 50.6 -66.8 -43.3 25.1 -10.3 -13.3 65 66 A C H X>S+ 0 0 0 -4,-2.0 5,-3.1 2,-0.2 4,-0.9 0.907 108.9 50.8 -63.8 -42.5 26.5 -6.8 -13.8 66 67 A D H ><5S+ 0 0 85 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.962 110.4 50.6 -58.1 -49.4 27.0 -7.4 -17.6 67 68 A R H 3<5S+ 0 0 80 -4,-2.0 41,-0.5 1,-0.3 -1,-0.2 0.847 113.9 44.3 -56.4 -37.6 23.3 -8.6 -17.8 68 69 A L H 3<5S- 0 0 19 -4,-2.1 -1,-0.3 39,-0.2 -2,-0.2 0.526 116.4-112.8 -83.8 -8.1 22.2 -5.4 -15.9 69 70 A G T <<5S+ 0 0 53 -3,-1.3 2,-1.2 -4,-0.9 -3,-0.2 0.766 70.8 141.6 79.7 24.0 24.4 -3.1 -18.0 70 71 A L < - 0 0 42 -5,-3.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.734 34.9-173.6 -96.4 79.4 26.5 -2.2 -15.0 71 72 A L - 0 0 109 -2,-1.2 50,-0.1 2,-0.1 -5,-0.0 -0.249 41.6-101.2 -75.0 163.2 29.8 -2.2 -16.9 72 73 A P 0 0 104 0, 0.0 -1,-0.1 0, 0.0 49,-0.1 0.827 360.0 360.0 -54.9 -29.9 33.3 -1.8 -15.4 73 74 A M 0 0 137 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.245 360.0 360.0 -46.2 360.0 33.1 1.9 -16.5 74 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 75 86 A Y 0 0 141 0, 0.0 45,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 102.8 28.3 5.6 -5.2 76 87 A T + 0 0 127 1,-0.1 2,-0.9 38,-0.0 42,-0.0 0.686 360.0 77.7-105.7 -23.0 26.3 7.1 -8.0 77 88 A V + 0 0 43 42,-0.2 2,-0.3 37,-0.1 -1,-0.1 -0.797 56.6 161.5 -87.2 114.0 24.3 4.2 -9.3 78 89 A T - 0 0 20 -2,-0.9 2,-0.3 40,-0.2 40,-0.2 -0.978 14.4-169.4-122.6 147.3 21.4 3.5 -6.9 79 90 A V E -H 117 0C 12 38,-2.5 38,-1.3 -2,-0.3 37,-1.0 -0.938 17.1-167.4-134.4 156.8 18.3 1.4 -7.8 80 91 A D E -H 112 0C 9 32,-1.8 32,-3.2 -2,-0.3 14,-0.1 -0.970 43.5 -95.5-127.9 150.2 14.9 0.4 -6.7 81 92 A A E -H 111 0C 1 -2,-0.3 30,-0.3 12,-0.3 16,-0.1 -0.409 32.5-140.0 -52.2 134.5 12.7 -2.3 -8.1 82 93 A R S S+ 0 0 133 28,-3.3 3,-0.3 -2,-0.1 2,-0.2 0.945 78.9 41.6 -67.0 -46.1 10.4 -0.7 -10.7 83 94 A N S S+ 0 0 116 27,-0.5 3,-0.1 1,-0.2 29,-0.1 -0.601 105.0 21.8-106.7 158.1 7.3 -2.7 -9.7 84 95 A G S S+ 0 0 77 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.718 93.6 95.7 66.3 29.9 5.7 -3.9 -6.5 85 96 A I - 0 0 42 -3,-0.3 -1,-0.2 1,-0.2 -5,-0.0 -0.877 65.3-126.3-136.6 170.7 7.1 -1.5 -3.9 86 97 A G S S- 0 0 55 -2,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.582 81.8 -36.6 -82.7-119.9 6.2 1.8 -2.2 87 98 A T S S- 0 0 110 28,-0.0 -2,-0.0 1,-0.0 0, 0.0 0.741 85.3-111.2 -81.9 -21.3 8.7 4.7 -2.4 88 99 A G S S+ 0 0 0 27,-0.1 28,-0.2 28,-0.1 9,-0.1 0.207 96.0 91.5 117.8 -10.8 11.7 2.3 -2.2 89 100 A I + 0 0 96 4,-0.1 5,-0.0 5,-0.1 26,-0.0 0.693 57.8 99.4 -93.4 -20.6 13.0 3.2 1.2 90 101 A S S > S- 0 0 50 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.211 83.3-114.0 -64.4 157.7 11.2 0.7 3.5 91 102 A A H > S+ 0 0 26 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.896 120.9 50.4 -53.5 -44.7 12.9 -2.4 4.7 92 103 A S H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.862 110.6 48.0 -64.2 -41.3 10.3 -4.4 2.7 93 104 A D H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 -12,-0.3 0.897 113.4 46.7 -64.0 -45.6 11.0 -2.3 -0.4 94 105 A R H X S+ 0 0 36 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.880 110.5 53.7 -66.3 -38.7 14.8 -2.6 -0.1 95 106 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.934 110.0 47.5 -60.5 -48.8 14.4 -6.4 0.5 96 107 A T H X S+ 0 0 27 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.932 112.0 49.9 -53.6 -50.4 12.4 -6.7 -2.7 97 108 A T H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.929 111.5 49.0 -55.8 -47.2 15.0 -4.6 -4.6 98 109 A M H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.893 110.0 50.1 -61.2 -45.1 17.8 -6.8 -3.3 99 110 A R H X S+ 0 0 94 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.860 108.5 53.6 -62.0 -36.7 16.0 -10.1 -4.2 100 111 A L H < S+ 0 0 44 -4,-2.2 3,-0.5 1,-0.2 6,-0.3 0.898 104.3 54.6 -65.1 -42.5 15.4 -8.8 -7.8 101 112 A L H < S+ 0 0 3 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.789 110.6 46.7 -58.2 -33.0 19.1 -8.0 -8.2 102 113 A A H < S+ 0 0 3 -4,-1.2 -1,-0.2 -3,-0.1 -2,-0.2 0.627 86.9 107.3 -81.6 -17.8 19.9 -11.7 -7.3 103 114 A D S >< S- 0 0 60 -4,-1.0 3,-1.8 -3,-0.5 -3,-0.0 -0.480 71.6-138.9 -65.1 122.8 17.1 -13.0 -9.7 104 115 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.581 99.0 50.2 -67.3 -4.9 19.0 -14.6 -12.6 105 116 A T T 3 S+ 0 0 103 -5,-0.1 -4,-0.1 2,-0.0 -2,-0.1 0.425 79.3 122.2-108.0 0.9 16.5 -13.0 -15.1 106 117 A S < - 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0 0 4 -62,-3.1 -60,-0.3 -2,-0.6 2,-0.2 -0.677 24.7-111.1 -82.4 139.5 32.7 -7.9 -7.6 123 134 A K > - 0 0 125 -2,-0.3 3,-2.2 7,-0.1 7,-0.2 -0.499 38.6-101.2 -66.2 134.8 36.0 -8.7 -9.4 124 135 A D T 3 S+ 0 0 114 1,-0.3 -1,-0.1 -2,-0.2 11,-0.0 -0.325 113.3 37.7 -54.5 138.2 36.0 -12.2 -11.1 125 136 A G T > S- 0 0 44 4,-0.1 3,-1.2 3,-0.1 -1,-0.3 0.169 99.6-141.8 97.0 -17.2 38.0 -14.6 -8.8 126 137 A G G X> - 0 0 5 -3,-2.2 4,-2.9 1,-0.2 3,-2.2 -0.250 69.2 -6.4 60.1-142.8 36.5 -13.0 -5.6 127 138 A V G 34 S+ 0 0 3 8,-0.3 -1,-0.2 1,-0.3 60,-0.1 0.735 131.6 63.9 -63.1 -20.1 38.8 -12.6 -2.6 128 139 A L G <4 S+ 0 0 54 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.762 116.0 30.8 -67.3 -27.2 41.5 -14.6 -4.3 129 140 A R T <4 S+ 0 0 183 -3,-2.2 -2,-0.2 1,-0.3 -1,-0.1 0.852 140.7 9.6 -96.0 -51.8 41.6 -11.7 -6.9 130 141 A R < - 0 0 118 -4,-2.9 2,-2.2 -7,-0.2 -1,-0.3 -0.963 68.8-143.1-135.7 115.2 40.7 -8.7 -4.8 131 142 A P + 0 0 75 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 -0.307 55.3 130.4 -79.9 61.1 40.4 -9.1 -0.9 132 143 A G S > S- 0 0 6 -2,-2.2 4,-2.3 1,-0.1 5,-0.1 -0.696 71.7-115.8-110.9 160.3 37.4 -6.8 -0.5 133 144 A H H > S+ 0 0 22 -2,-0.2 4,-2.2 2,-0.2 5,-0.2 0.836 115.9 60.1 -56.0 -37.8 34.1 -7.0 1.4 134 145 A T H > S+ 0 0 21 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.947 109.5 41.1 -57.2 -48.3 32.4 -6.7 -2.0 135 146 A E H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 -8,-0.3 0.890 111.6 56.5 -70.1 -38.8 34.1 -9.9 -3.2 136 147 A A H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.876 105.1 52.0 -59.8 -40.7 33.6 -11.7 0.1 137 148 A A H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.922 112.7 43.4 -63.7 -47.7 29.9 -11.2 -0.0 138 149 A V H X S+ 0 0 3 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.902 114.5 52.0 -60.7 -44.0 29.6 -12.7 -3.5 139 150 A D H X S+ 0 0 4 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.960 109.8 48.0 -58.7 -51.2 32.0 -15.5 -2.5 140 151 A L H X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.2 6,-0.2 0.909 111.9 49.1 -57.7 -45.9 30.0 -16.4 0.6 141 152 A A H <>S+ 0 0 0 -4,-2.2 5,-2.7 2,-0.2 -1,-0.2 0.922 114.9 44.8 -57.3 -45.7 26.6 -16.4 -1.3 142 153 A R H ><5S+ 0 0 116 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.915 111.5 52.7 -68.1 -42.9 28.2 -18.6 -4.0 143 154 A M H 3<5S+ 0 0 52 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.816 104.5 57.6 -60.4 -30.5 29.8 -20.9 -1.4 144 155 A A T 3<5S- 0 0 18 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.404 123.3-105.9 -80.0 0.8 26.4 -21.3 0.3 145 156 A G T < 5S+ 0 0 68 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.650 82.2 121.8 82.9 17.4 25.0 -22.6 -3.0 146 157 A L S - 0 0 17 1,-0.1 4,-2.1 2,-0.0 -1,-0.2 -0.995 52.4-130.4-149.4 149.2 41.1 1.5 18.3 162 174 A S H > S+ 0 0 91 -2,-0.3 4,-1.4 2,-0.2 3,-0.3 0.941 109.6 37.8 -60.7 -65.0 42.1 -1.6 16.2 163 175 A M H > S+ 0 0 136 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.853 117.6 56.0 -51.6 -39.7 42.2 -4.4 18.8 164 176 A A H > S+ 0 0 41 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.827 100.6 56.5 -64.9 -39.9 39.1 -2.7 20.4 165 177 A H H X S+ 0 0 48 -4,-2.1 4,-2.0 -3,-0.3 -1,-0.2 0.928 107.2 48.8 -56.0 -50.1 37.0 -2.8 17.2 166 178 A T H X S+ 0 0 29 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.884 110.7 49.7 -62.3 -41.8 37.4 -6.6 16.8 167 179 A D H X S+ 0 0 73 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.887 111.7 48.1 -65.6 -41.3 36.4 -7.3 20.5 168 180 A E H X S+ 0 0 116 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.834 110.6 52.3 -65.3 -35.2 33.3 -5.1 20.2 169 181 A L H X S+ 0 0 22 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.856 106.0 54.9 -68.5 -33.3 32.4 -6.8 16.9 170 182 A R H X S+ 0 0 17 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.900 110.7 43.9 -67.5 -44.6 32.6 -10.2 18.7 171 183 A V H X S+ 0 0 80 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.943 114.6 49.4 -63.5 -50.0 30.2 -9.2 21.4 172 184 A F H X S+ 0 0 26 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.890 111.0 50.3 -57.4 -44.0 27.8 -7.7 18.9 173 185 A A H <>S+ 0 0 0 -4,-2.5 5,-3.0 1,-0.2 3,-0.4 0.929 112.4 47.1 -57.7 -45.6 28.0 -10.8 16.7 174 186 A D H ><5S+ 0 0 87 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.878 105.3 57.6 -69.6 -40.2 27.2 -13.0 19.7 175 187 A E H 3<5S+ 0 0 138 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.780 119.1 33.5 -59.3 -26.6 24.3 -10.9 20.9 176 188 A H T 3<5S- 0 0 72 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.305 112.4-113.3-115.1 10.1 22.7 -11.5 17.5 177 189 A G T < 5 + 0 0 52 -3,-0.9 2,-0.2 -4,-0.4 -3,-0.2 0.719 64.7 147.9 71.5 25.3 24.0 -15.0 16.7 178 190 A L < - 0 0 15 -5,-3.0 2,-0.2 -6,-0.2 -1,-0.2 -0.623 48.0-119.6 -96.4 149.1 26.2 -14.0 13.8 179 191 A A E -b 21 0A 1 -159,-0.6 -157,-2.8 -2,-0.2 2,-0.5 -0.613 21.7-149.4 -80.0 149.2 29.5 -15.5 12.7 180 192 A L E +b 22 0A 0 -2,-0.2 -174,-2.4 -159,-0.2 2,-0.3 -0.979 28.0 157.1-123.8 116.2 32.6 -13.3 12.7 181 193 A I E -b 23 0A 0 -159,-2.4 -157,-2.9 -2,-0.5 2,-0.3 -0.843 32.8-125.3-133.4 167.8 35.3 -14.0 10.1 182 194 A T E > -b 24 0A 12 -2,-0.3 4,-1.7 -176,-0.2 -157,-0.2 -0.836 22.2-125.2-108.6 155.6 38.1 -12.3 8.4 183 195 A I H > S+ 0 0 4 -159,-2.3 4,-3.0 -2,-0.3 5,-0.2 0.865 112.9 62.6 -59.9 -36.5 38.8 -12.0 4.6 184 196 A A H > S+ 0 0 43 -160,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.923 105.7 44.0 -55.4 -47.6 42.2 -13.5 5.4 185 197 A D H > S+ 0 0 63 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.814 111.4 53.6 -66.7 -35.4 40.5 -16.7 6.6 186 198 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.930 109.3 49.2 -62.6 -46.0 38.1 -16.7 3.7 187 199 A I H X S+ 0 0 28 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.961 112.8 47.3 -55.9 -52.7 41.1 -16.5 1.3 188 200 A E H X S+ 0 0 128 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.904 113.1 48.2 -59.4 -44.1 42.8 -19.4 3.0 189 201 A W H >X S+ 0 0 65 -4,-2.5 4,-1.7 2,-0.2 3,-1.2 0.972 112.7 47.2 -59.0 -55.9 39.6 -21.5 3.1 190 202 A R H >X S+ 0 0 24 -4,-2.7 4,-2.2 1,-0.3 3,-0.8 0.928 108.8 55.8 -51.7 -52.4 38.9 -20.9 -0.6 191 203 A R H 3< S+ 0 0 154 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.712 116.5 36.7 -49.7 -30.8 42.5 -21.7 -1.6 192 204 A K H << S+ 0 0 157 -3,-1.2 -1,-0.2 -4,-1.0 -2,-0.2 0.591 124.6 36.7-103.6 -13.9 42.3 -25.1 0.1 193 205 A H H << 0 0 103 -4,-1.7 -2,-0.2 -3,-0.8 -3,-0.2 0.480 360.0 360.0-117.9 -5.6 38.7 -26.1 -0.7 194 206 A E < 0 0 161 -4,-2.2 -3,-0.1 -5,-0.2 -2,-0.1 0.911 360.0 360.0 -65.8 360.0 38.1 -24.9 -4.2