==== 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 07-APR-10 3MGZ . COMPND 2 MOLECULE: 3,4-DIHYDROXY-2-BUTANONE 4-PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.SINGH,P.KUMAR,S.KARTHIKEYAN . 186 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8963.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 11.8 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 . 5 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.2 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 2 0 0 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 1 A M 0 0 248 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 99.3 -43.5 12.7 19.1 2 2 A T - 0 0 36 1,-0.1 2,-0.1 156,-0.1 160,-0.0 -0.474 360.0-103.4 -76.2 138.0 -39.8 12.8 18.4 3 3 A R - 0 0 139 -2,-0.2 2,-0.4 1,-0.0 -1,-0.1 -0.355 33.6-157.1 -58.9 131.8 -38.1 16.1 17.3 4 4 A L - 0 0 64 -2,-0.1 172,-0.2 170,-0.0 2,-0.1 -0.902 15.8-124.0-106.4 141.2 -37.3 16.2 13.6 5 5 A D - 0 0 21 170,-3.0 172,-0.2 -2,-0.4 2,-0.2 -0.372 33.6 -98.6 -73.9 161.1 -34.6 18.6 12.2 6 6 A S > - 0 0 64 1,-0.1 4,-1.6 170,-0.1 3,-0.3 -0.505 23.8-121.5 -75.0 152.6 -35.4 21.1 9.5 7 7 A V H > S+ 0 0 5 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.901 113.9 62.1 -55.5 -41.7 -34.6 20.3 5.9 8 8 A E H > S+ 0 0 92 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.874 104.0 46.7 -54.4 -41.3 -32.4 23.5 5.9 9 9 A R H > S+ 0 0 142 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.878 111.3 51.2 -69.4 -39.0 -30.2 22.0 8.6 10 10 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.952 111.1 48.4 -61.8 -47.7 -29.9 18.7 6.7 11 11 A V H X S+ 0 0 21 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.926 110.3 51.7 -57.8 -44.9 -28.9 20.6 3.6 12 12 A A H X S+ 0 0 40 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.2 0.899 109.9 49.3 -60.7 -40.3 -26.3 22.6 5.6 13 13 A D H <>S+ 0 0 6 -4,-2.3 5,-2.9 2,-0.2 -1,-0.2 0.925 111.1 49.5 -60.9 -46.9 -24.9 19.3 7.0 14 14 A I H ><5S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 22,-0.3 0.950 110.6 50.5 -57.7 -48.9 -24.7 17.8 3.5 15 15 A A H 3<5S+ 0 0 43 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.795 106.9 54.6 -58.4 -34.8 -22.9 20.9 2.1 16 16 A A T 3<5S- 0 0 62 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.383 123.8-103.7 -82.3 3.6 -20.4 20.8 5.0 17 17 A G T < 5S+ 0 0 14 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.710 81.3 128.0 82.8 19.0 -19.4 17.2 4.1 18 18 A K < - 0 0 104 -5,-2.9 18,-0.4 -6,-0.2 -1,-0.3 -0.558 55.4-113.2-102.1 171.2 -21.4 15.7 7.0 19 19 A A - 0 0 3 -2,-0.2 155,-0.6 16,-0.1 2,-0.3 -0.576 23.5-166.4 -98.9 163.1 -24.1 12.9 7.0 20 20 A V E -Ab 34 174A 0 14,-2.3 14,-3.1 -2,-0.2 2,-0.5 -0.889 20.2-122.3-138.6 167.9 -27.8 13.0 7.9 21 21 A I E -Ab 33 175A 0 153,-2.9 155,-2.4 -2,-0.3 2,-0.5 -0.973 23.5-163.3-114.0 128.1 -30.4 10.4 8.6 22 22 A V E -Ab 32 176A 0 10,-2.7 10,-2.1 -2,-0.5 2,-0.4 -0.964 1.6-164.4-115.5 127.4 -33.5 10.2 6.4 23 23 A I E -Ab 31 177A 5 153,-2.9 155,-2.3 -2,-0.5 156,-0.3 -0.852 2.9-170.5-102.2 137.7 -36.7 8.4 7.4 24 24 A D 0 0 9 6,-1.3 107,-0.1 -2,-0.4 -2,-0.0 -0.815 360.0 360.0-112.7 168.7 -39.6 7.4 5.1 25 25 A D 0 0 115 -2,-0.3 -1,-0.1 4,-0.1 152,-0.0 0.744 360.0 360.0-122.6 360.0 -43.0 6.1 6.2 26 ! 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 27 28 A R 0 0 104 0, 0.0 104,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-122.3 -43.0 3.1 1.8 28 29 A E - 0 0 54 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.135 360.0-127.0 -56.7 170.3 -40.8 1.1 4.2 29 30 A N + 0 0 55 -6,-0.1 2,-0.2 2,-0.1 -4,-0.1 -0.109 61.3 111.4-122.3 41.4 -40.4 2.9 7.6 30 31 A E - 0 0 42 -7,-0.0 -6,-1.3 -8,-0.0 2,-0.4 -0.567 60.2-105.0-119.2 176.0 -36.6 3.0 8.2 31 32 A G E -A 23 0A 2 123,-0.2 123,-2.5 -8,-0.2 2,-0.4 -0.815 21.9-166.1-104.7 130.7 -33.6 5.2 8.4 32 33 A D E -AC 22 153A 8 -10,-2.1 -10,-2.7 -2,-0.4 2,-0.4 -0.951 20.8-132.5-108.7 138.1 -30.8 5.7 5.9 33 34 A L E -AC 21 152A 0 119,-2.0 119,-1.4 -2,-0.4 2,-0.4 -0.757 35.6-172.3 -77.6 134.6 -27.6 7.4 6.7 34 35 A I E +AC 20 151A 0 -14,-3.1 -14,-2.3 -2,-0.4 2,-0.3 -0.992 18.3 158.2-138.7 130.9 -26.9 9.8 3.7 35 36 A F E - C 0 150A 1 115,-2.2 115,-2.2 -2,-0.4 2,-0.4 -0.896 49.6 -86.9-135.4 172.1 -24.0 12.0 2.6 36 37 A A E > - C 0 149A 0 -18,-0.4 3,-1.1 -22,-0.3 113,-0.3 -0.668 33.3-135.2 -78.1 134.7 -23.0 13.6 -0.7 37 38 A A G > S+ 0 0 0 111,-2.1 3,-1.9 -2,-0.4 112,-0.2 0.875 104.0 57.5 -59.4 -38.6 -20.9 11.2 -2.7 38 39 A E G 3 S+ 0 0 67 110,-0.5 -1,-0.3 1,-0.3 60,-0.1 0.757 103.0 57.1 -66.2 -19.3 -18.3 13.8 -3.7 39 40 A K G < S+ 0 0 75 -3,-1.1 -1,-0.3 -21,-0.1 -2,-0.2 0.360 77.8 135.4 -90.0 4.4 -17.8 14.4 0.0 40 41 A A < + 0 0 2 -3,-1.9 58,-0.1 54,-0.2 3,-0.1 -0.293 26.7 171.5 -58.2 132.1 -16.8 10.8 0.7 41 42 A T > - 0 0 59 1,-0.1 4,-2.6 -24,-0.1 5,-0.3 -0.898 48.1-106.1-131.1 164.6 -13.8 10.3 3.0 42 43 A P H > S+ 0 0 67 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.929 122.0 51.4 -51.1 -48.3 -12.1 7.3 4.6 43 44 A E H > S+ 0 0 163 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.913 112.0 43.6 -59.7 -46.3 -13.6 8.5 8.0 44 45 A M H > S+ 0 0 36 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.900 115.3 47.7 -70.3 -37.7 -17.2 8.9 6.7 45 46 A V H X S+ 0 0 0 -4,-2.6 4,-3.7 2,-0.2 5,-0.2 0.931 110.9 52.2 -65.2 -43.1 -17.2 5.6 4.8 46 47 A A H X S+ 0 0 45 -4,-2.8 4,-2.0 -5,-0.3 -2,-0.2 0.904 110.6 49.7 -55.7 -42.9 -15.7 3.8 7.9 47 48 A F H X S+ 0 0 42 -4,-2.0 4,-1.0 -5,-0.2 -2,-0.2 0.937 112.4 45.0 -60.8 -52.7 -18.5 5.4 9.8 48 49 A M H >X S+ 0 0 0 -4,-2.6 4,-0.9 1,-0.2 3,-0.6 0.906 110.3 55.5 -57.3 -43.9 -21.2 4.2 7.4 49 50 A V H >< S+ 0 0 58 -4,-3.7 3,-0.7 1,-0.2 -2,-0.2 0.906 103.2 57.3 -56.3 -38.8 -19.5 0.7 7.2 50 51 A R H 3< S+ 0 0 174 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.837 118.4 29.7 -61.5 -35.0 -19.9 0.5 11.0 51 52 A Y H << S+ 0 0 49 -4,-1.0 104,-2.0 -3,-0.6 2,-0.3 0.281 90.5 114.9-115.6 10.8 -23.7 1.0 10.9 52 53 A T B << -G 154 0B 24 -4,-0.9 102,-0.2 -3,-0.7 4,-0.1 -0.627 58.0-145.0 -84.1 140.7 -24.8 -0.4 7.5 53 54 A S S S- 0 0 65 100,-2.2 -1,-0.1 -2,-0.3 101,-0.1 0.608 77.8 -57.9 -67.1 -16.2 -27.1 -3.5 7.4 54 55 A G S S+ 0 0 45 1,-0.3 2,-0.2 99,-0.3 -2,-0.1 -0.244 107.0 55.2 174.9 -87.4 -25.1 -4.5 4.3 55 56 A Y - 0 0 122 61,-0.0 2,-0.5 1,-0.0 98,-0.4 -0.513 52.6-145.9 -88.9 149.1 -24.6 -2.5 1.1 56 57 A L - 0 0 2 59,-0.3 61,-2.7 -2,-0.2 2,-0.3 -0.978 28.6-168.9-108.2 123.3 -23.2 1.0 0.5 57 58 A C E -dE 117 151A 5 94,-2.5 94,-2.7 -2,-0.5 20,-0.0 -0.785 20.7-147.9-116.3 155.6 -25.1 2.5 -2.4 58 59 A V E -d 118 0A 0 59,-2.9 61,-2.5 -2,-0.3 92,-0.2 -0.897 15.5-150.8-127.9 93.9 -24.5 5.7 -4.5 59 60 A P E -d 119 0A 0 0, 0.0 90,-2.7 0, 0.0 2,-0.4 -0.497 21.4-169.6 -61.8 135.0 -27.8 7.2 -5.7 60 61 A L E -dF 120 148A 0 59,-2.7 61,-2.8 88,-0.2 88,-0.2 -0.975 24.6-108.2-132.9 143.3 -27.1 9.0 -9.0 61 62 A D > - 0 0 21 86,-1.8 4,-2.1 -2,-0.4 3,-0.4 -0.295 38.3-108.4 -65.8 152.7 -29.1 11.4 -11.1 62 63 A G H > S+ 0 0 2 59,-0.3 4,-2.9 1,-0.2 8,-0.2 0.861 117.6 56.3 -52.6 -41.6 -30.4 10.0 -14.5 63 64 A A H > S+ 0 0 63 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.884 108.7 48.0 -59.7 -39.8 -27.9 12.0 -16.6 64 65 A I H > S+ 0 0 8 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.922 111.0 49.7 -66.9 -45.6 -25.0 10.5 -14.7 65 66 A C H X>S+ 0 0 0 -4,-2.1 5,-2.2 2,-0.2 4,-1.3 0.931 110.0 51.8 -59.4 -43.3 -26.4 7.0 -15.0 66 67 A D H ><5S+ 0 0 75 -4,-2.9 3,-1.2 1,-0.2 -2,-0.2 0.968 109.9 49.3 -57.2 -52.9 -26.8 7.6 -18.8 67 68 A R H 3<5S+ 0 0 83 -4,-2.4 40,-0.5 1,-0.3 -1,-0.2 0.851 114.8 44.5 -52.5 -41.7 -23.2 8.8 -19.1 68 69 A L H 3<5S- 0 0 12 -4,-2.2 -1,-0.3 38,-0.2 -2,-0.2 0.596 120.0-109.6 -79.7 -14.6 -22.0 5.7 -17.2 69 70 A G T <<5S+ 0 0 42 -4,-1.3 2,-0.4 -3,-1.2 -3,-0.2 0.900 75.0 126.0 84.2 43.1 -24.2 3.3 -19.1 70 71 A L < + 0 0 48 -5,-2.2 -1,-0.1 -8,-0.2 -2,-0.1 -0.810 40.3 179.7-124.9 98.9 -26.9 2.1 -16.8 71 72 A L 0 0 138 -2,-0.4 49,-0.1 -5,-0.1 -9,-0.0 -0.317 360.0 360.0 -96.1 173.3 -30.3 2.8 -18.5 72 73 A P 0 0 121 0, 0.0 -6,-0.0 0, 0.0 -2,-0.0 -0.194 360.0 360.0 140.1 360.0 -34.1 2.5 -17.9 73 ! 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 74 86 A Y 0 0 139 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.6 -28.1 -5.8 -6.1 75 87 A T + 0 0 109 1,-0.1 2,-0.6 42,-0.0 42,-0.0 0.876 360.0 55.2 -72.5 -40.9 -27.0 -6.8 -9.6 76 88 A V + 0 0 47 42,-0.2 2,-0.3 37,-0.1 -1,-0.1 -0.859 56.8 164.0-109.4 121.4 -24.5 -4.0 -10.3 77 89 A T - 0 0 24 -2,-0.6 2,-0.3 40,-0.2 40,-0.2 -0.966 12.8-171.2-125.9 147.8 -21.5 -3.3 -8.1 78 90 A V E -H 116 0C 11 38,-2.6 38,-1.4 -2,-0.3 37,-0.8 -0.964 14.5-166.4-137.0 156.3 -18.4 -1.2 -9.1 79 91 A D E -H 111 0C 8 32,-2.0 32,-2.9 -2,-0.3 14,-0.1 -0.966 43.4 -94.4-126.6 149.0 -14.9 -0.2 -7.9 80 92 A A E -H 110 0C 1 -2,-0.3 30,-0.3 12,-0.3 4,-0.1 -0.398 34.0-140.1 -49.9 134.1 -12.7 2.6 -9.2 81 93 A R S S+ 0 0 126 28,-3.4 3,-0.3 2,-0.1 2,-0.2 0.937 78.1 38.2 -67.6 -46.3 -10.4 0.9 -11.8 82 94 A N S S+ 0 0 115 27,-0.5 3,-0.1 1,-0.2 -2,-0.0 -0.692 105.5 24.4-108.2 158.1 -7.3 2.8 -10.8 83 95 A G S S+ 0 0 78 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.744 93.9 95.0 71.6 26.2 -5.7 4.1 -7.6 84 96 A I - 0 0 41 -3,-0.3 -1,-0.2 1,-0.2 8,-0.0 -0.908 67.0-123.7-134.1 168.0 -7.2 1.7 -5.1 85 97 A G S S- 0 0 54 -2,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.603 81.2 -39.4 -73.7-125.3 -6.3 -1.6 -3.3 86 98 A T S S- 0 0 112 28,-0.0 -2,-0.0 1,-0.0 0, 0.0 0.647 85.5-111.1 -83.0 -16.9 -8.8 -4.5 -3.7 87 99 A G S S+ 0 0 0 27,-0.1 28,-0.2 28,-0.0 9,-0.1 0.186 95.6 91.0 115.1 -13.8 -11.7 -2.0 -3.4 88 100 A I + 0 0 96 4,-0.1 26,-0.0 5,-0.1 -9,-0.0 0.655 57.9 100.5 -90.9 -19.7 -13.2 -2.9 0.0 89 101 A S S > S- 0 0 51 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.231 84.2-112.9 -63.3 159.1 -11.3 -0.6 2.4 90 102 A A H > S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.889 120.5 49.3 -59.4 -41.2 -13.1 2.6 3.6 91 103 A S H > S+ 0 0 53 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.838 109.9 49.6 -68.8 -37.2 -10.6 4.6 1.5 92 104 A D H > S+ 0 0 15 2,-0.2 4,-2.3 1,-0.2 -12,-0.3 0.940 113.4 46.6 -63.8 -47.8 -11.1 2.5 -1.6 93 105 A R H X S+ 0 0 37 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.899 110.2 53.1 -63.6 -42.0 -14.9 2.9 -1.3 94 106 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.924 109.8 49.1 -55.6 -46.1 -14.5 6.7 -0.7 95 107 A T H X S+ 0 0 27 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.913 111.2 49.3 -60.9 -44.3 -12.4 6.9 -3.9 96 108 A T H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.918 111.4 50.3 -59.2 -47.9 -15.0 4.9 -5.9 97 109 A M H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.916 109.8 48.9 -57.2 -48.8 -17.8 7.2 -4.5 98 110 A R H X S+ 0 0 93 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.886 109.2 53.6 -60.8 -37.4 -16.0 10.4 -5.4 99 111 A L H >< S+ 0 0 46 -4,-2.0 3,-0.6 1,-0.2 6,-0.3 0.911 104.5 54.3 -66.8 -38.7 -15.4 9.0 -9.0 100 112 A L H 3< S+ 0 0 3 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.826 110.2 47.4 -61.2 -33.4 -19.1 8.3 -9.5 101 113 A A H 3< S+ 0 0 2 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.613 87.0 107.1 -80.7 -16.8 -19.8 12.0 -8.5 102 114 A D S X< S- 0 0 61 -4,-1.0 3,-1.8 -3,-0.6 -3,-0.0 -0.511 71.5-139.2 -67.9 121.4 -17.1 13.3 -11.0 103 115 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.566 99.0 50.0 -66.5 -5.4 -18.9 14.8 -13.9 104 116 A T T 3 S+ 0 0 103 -5,-0.1 -4,-0.1 2,-0.1 -2,-0.1 0.404 79.4 123.2-109.5 1.7 -16.3 13.3 -16.4 105 117 A S < - 0 0 1 -3,-1.8 2,-0.3 -6,-0.3 -5,-0.0 -0.315 37.7-174.4 -62.1 144.0 -16.4 9.6 -15.2 106 118 A V > - 0 0 64 -38,-0.1 3,-2.3 1,-0.0 4,-0.3 -0.856 43.9 -93.1-132.9 169.5 -17.2 6.9 -17.7 107 119 A A G > S+ 0 0 55 -40,-0.5 3,-2.0 1,-0.3 -39,-0.1 0.864 121.4 65.1 -55.9 -37.6 -17.8 3.2 -17.5 108 120 A D G 3 S+ 0 0 119 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.660 90.1 64.4 -53.9 -24.9 -14.1 2.7 -18.3 109 121 A D G < S+ 0 0 52 -3,-2.3 -28,-3.4 -28,-0.1 -27,-0.5 0.573 103.3 58.1 -77.1 -9.1 -13.0 4.3 -15.1 110 122 A F E < -H 80 0C 11 -3,-2.0 2,-0.3 -4,-0.3 -30,-0.2 -0.818 67.2-147.7-120.4 157.2 -14.7 1.5 -13.1 111 123 A T E -H 79 0C 45 -32,-2.9 -32,-2.0 -2,-0.3 -3,-0.0 -0.909 27.8-107.3-118.3 153.5 -14.4 -2.3 -12.8 112 124 A R E S+ 0 0 173 -2,-0.3 2,-0.1 -34,-0.2 -34,-0.1 -0.960 88.7 35.7-125.8 146.1 -17.2 -4.8 -12.0 113 125 A P E S+ 0 0 109 0, 0.0 2,-0.2 0, 0.0 -35,-0.2 0.681 84.8 143.2 -77.0 176.5 -18.0 -6.5 -9.7 114 126 A G E - 0 0 15 -36,-0.2 -35,-0.3 -2,-0.1 -2,-0.1 -0.725 57.4 -88.8-158.2-158.3 -17.0 -4.2 -6.9 115 127 A H E S+ 0 0 58 -37,-0.8 2,-0.4 -2,-0.2 -59,-0.3 0.295 94.1 66.6-121.9 7.8 -17.9 -2.9 -3.5 116 128 A V E -H 78 0C 0 -38,-1.4 -38,-2.6 -61,-0.1 -59,-0.2 -0.992 69.2-139.5-131.6 138.8 -20.2 0.1 -4.0 117 129 A V E -d 57 0A 3 -61,-2.7 -59,-2.9 -2,-0.4 -40,-0.2 -0.850 12.4-149.8-102.8 107.8 -23.7 -0.1 -5.5 118 130 A P E -d 58 0A 9 0, 0.0 2,-0.4 0, 0.0 -42,-0.2 -0.540 16.4-166.8 -72.6 142.8 -24.8 2.6 -8.0 119 131 A L E -d 59 0A 29 -61,-2.5 -59,-2.7 -2,-0.2 2,-0.6 -0.986 18.0-128.3-131.0 145.6 -28.5 3.4 -8.0 120 132 A R E -d 60 0A 71 -2,-0.4 2,-0.3 -61,-0.2 -59,-0.2 -0.841 19.9-149.5 -95.5 116.0 -30.6 5.5 -10.5 121 133 A A - 0 0 3 -61,-2.8 -59,-0.3 -2,-0.6 2,-0.2 -0.666 24.8-110.7 -78.1 139.5 -32.7 8.2 -8.9 122 134 A K > - 0 0 113 -2,-0.3 3,-2.3 7,-0.1 7,-0.2 -0.512 37.9-102.8 -67.4 132.6 -36.0 9.0 -10.7 123 135 A D T 3 S+ 0 0 119 1,-0.3 -1,-0.1 -2,-0.2 11,-0.0 -0.317 113.8 40.6 -51.2 136.3 -36.0 12.5 -12.4 124 136 A G T > S- 0 0 43 4,-0.1 3,-1.3 3,-0.1 -1,-0.3 0.185 99.1-143.5 98.4 -16.3 -38.0 14.8 -10.2 125 137 A G G X> S- 0 0 4 -3,-2.3 4,-2.6 1,-0.2 3,-2.0 -0.223 70.4 -5.4 59.1-141.1 -36.4 13.2 -7.1 126 138 A V G 34 S+ 0 0 3 8,-0.3 -1,-0.2 1,-0.3 56,-0.1 0.737 130.7 64.0 -64.7 -20.9 -38.8 12.9 -4.0 127 139 A L G <4 S+ 0 0 61 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.746 115.7 32.2 -66.4 -24.9 -41.6 14.8 -5.8 128 140 A R T <4 S+ 0 0 190 -3,-2.0 -2,-0.2 1,-0.3 -1,-0.1 0.825 139.6 9.4 -98.2 -47.3 -41.6 11.9 -8.3 129 141 A R < - 0 0 119 -4,-2.6 2,-2.5 -7,-0.2 -1,-0.3 -0.947 68.4-143.5-139.0 114.9 -40.7 8.9 -6.2 130 142 A P + 0 0 67 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 -0.276 55.0 132.9 -81.1 59.8 -40.5 9.4 -2.4 131 143 A G S > S- 0 0 6 -2,-2.5 4,-2.3 1,-0.1 5,-0.1 -0.627 70.8-117.5-105.5 161.3 -37.4 7.1 -1.9 132 144 A H H > S+ 0 0 17 -2,-0.2 4,-2.1 2,-0.2 5,-0.2 0.846 116.0 59.5 -57.2 -40.3 -34.2 7.3 -0.0 133 145 A T H > S+ 0 0 21 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.960 110.6 40.6 -54.7 -50.7 -32.4 7.0 -3.4 134 146 A E H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 -8,-0.3 0.881 112.2 56.1 -67.2 -40.3 -34.2 10.2 -4.6 135 147 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.877 105.4 51.7 -57.0 -42.2 -33.7 12.0 -1.2 136 148 A A H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.931 112.7 44.2 -65.7 -47.0 -29.9 11.5 -1.3 137 149 A V H X S+ 0 0 3 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.912 113.5 52.1 -60.6 -43.4 -29.7 13.0 -4.8 138 150 A D H X S+ 0 0 3 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.949 109.4 48.4 -59.3 -51.1 -32.0 15.9 -3.9 139 151 A L H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 6,-0.2 0.888 111.6 49.0 -57.1 -44.3 -30.0 16.8 -0.8 140 152 A A H <>S+ 0 0 0 -4,-2.0 5,-2.8 2,-0.2 -1,-0.2 0.927 114.3 46.0 -60.6 -44.3 -26.7 16.8 -2.7 141 153 A R H ><5S+ 0 0 119 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.931 111.4 51.7 -65.4 -43.4 -28.3 19.0 -5.4 142 154 A M H 3<5S+ 0 0 53 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.794 104.8 57.9 -62.6 -27.4 -29.9 21.3 -2.8 143 155 A A T 3<5S- 0 0 19 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.380 122.9-107.9 -82.2 0.4 -26.4 21.6 -1.1 144 156 A G T < 5S+ 0 0 67 -3,-1.8 -3,-0.2 1,-0.2 2,-0.2 0.664 79.9 125.2 84.5 16.6 -25.1 23.0 -4.4 145 157 A L S 0 0 153 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 151.0 -42.3 5.2 18.1 159 176 A A H > + 0 0 69 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.794 360.0 49.8 -60.8 -36.6 -39.3 3.2 19.5 160 177 A H H > S+ 0 0 41 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.952 112.2 45.4 -69.1 -50.6 -37.4 3.0 16.2 161 178 A T H > S+ 0 0 23 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.812 112.0 57.5 -62.3 -29.1 -37.6 6.7 15.4 162 179 A D H X S+ 0 0 84 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.921 106.0 45.1 -63.6 -50.0 -36.6 7.3 19.1 163 180 A E H X S+ 0 0 137 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.840 110.7 55.4 -66.4 -33.4 -33.4 5.3 18.9 164 181 A L H X S+ 0 0 6 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.872 105.1 53.6 -65.4 -35.2 -32.6 7.1 15.6 165 182 A R H X S+ 0 0 18 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.901 111.2 44.7 -67.3 -40.2 -33.0 10.4 17.3 166 183 A V H X S+ 0 0 77 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.933 114.9 48.1 -67.7 -48.8 -30.5 9.5 20.0 167 184 A F H X S+ 0 0 27 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.880 111.2 51.0 -56.7 -44.7 -28.1 8.0 17.5 168 185 A A H <>S+ 0 0 0 -4,-2.6 5,-3.0 2,-0.2 4,-0.4 0.938 112.9 45.9 -58.5 -46.8 -28.4 11.2 15.4 169 186 A D H ><5S+ 0 0 87 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.904 106.7 57.7 -66.9 -40.7 -27.6 13.4 18.4 170 187 A E H 3<5S+ 0 0 138 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.817 117.4 34.6 -60.7 -28.8 -24.7 11.3 19.6 171 188 A H T 3<5S- 0 0 71 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.296 113.1-112.1-111.3 9.2 -23.0 11.8 16.2 172 189 A G T < 5 + 0 0 56 -3,-1.2 2,-0.3 -4,-0.4 -3,-0.2 0.712 66.2 148.3 74.7 23.3 -24.2 15.4 15.4 173 190 A L < - 0 0 16 -5,-3.0 -1,-0.2 -6,-0.2 2,-0.2 -0.641 48.1-120.4 -96.4 144.4 -26.5 14.3 12.5 174 191 A A E -b 20 0A 1 -155,-0.6 -153,-2.9 -2,-0.3 2,-0.5 -0.595 21.1-151.7 -74.3 148.8 -29.7 15.8 11.3 175 192 A L E +b 21 0A 0 -2,-0.2 -170,-3.0 -155,-0.2 2,-0.3 -0.992 27.1 158.7-123.7 117.1 -32.8 13.5 11.3 176 193 A I E -b 22 0A 0 -155,-2.4 -153,-2.9 -2,-0.5 2,-0.3 -0.892 32.6-124.7-134.9 164.9 -35.5 14.3 8.7 177 194 A T E > -b 23 0A 14 -2,-0.3 4,-1.8 -172,-0.2 -153,-0.2 -0.773 21.9-125.2-104.3 158.0 -38.4 12.7 7.0 178 195 A I H > S+ 0 0 4 -155,-2.3 4,-3.4 -2,-0.3 5,-0.2 0.845 113.3 61.5 -63.4 -33.8 -38.9 12.3 3.2 179 196 A A H > S+ 0 0 41 -156,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.944 105.3 45.0 -59.1 -48.8 -42.4 14.0 3.9 180 197 A D H > S+ 0 0 66 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.867 113.2 51.0 -64.1 -37.8 -40.6 17.1 5.2 181 198 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.941 110.3 48.6 -60.7 -49.4 -38.2 17.0 2.3 182 199 A I H X S+ 0 0 25 -4,-3.4 4,-2.3 2,-0.2 -2,-0.2 0.953 114.2 47.8 -54.6 -48.9 -41.2 16.7 -0.2 183 200 A E H X S+ 0 0 86 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.942 111.1 48.9 -61.1 -47.7 -42.9 19.6 1.6 184 201 A W H X S+ 0 0 65 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.900 111.8 49.9 -56.7 -41.2 -39.8 21.8 1.6 185 202 A R H X S+ 0 0 21 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.938 106.5 54.1 -69.1 -45.3 -39.2 21.2 -2.1 186 203 A R H < S+ 0 0 158 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.858 116.2 40.4 -50.7 -41.9 -42.8 22.1 -3.1 187 204 A K H < S+ 0 0 144 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.831 121.3 36.1 -79.7 -37.2 -42.5 25.4 -1.4 188 205 A H H < 0 0 112 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.428 360.0 360.0-105.5 1.3 -38.9 26.6 -2.2 189 206 A E < 0 0 156 -4,-1.5 -1,-0.2 -5,-0.2 -3,-0.1 0.585 360.0 360.0 -94.0 360.0 -38.6 25.3 -5.8