==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 13-JAN-11 3QBD . COMPND 2 MOLECULE: 3-DEHYDROQUINATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR W.C.CHENG,T.J.CHEN,W.C.WANG . 686 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27590.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 522 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 6.1 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 1 0.1 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 . 30 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 261 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 2 2 0 1 4 1 2 1 4 3 2 0 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 2 2 4 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 . 4 0 2 0 4 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 . 2 0 2 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 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 6 A A 0 0 144 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -38.8 -65.0 24.1 -15.3 2 7 A P - 0 0 51 0, 0.0 2,-0.3 0, 0.0 16,-0.2 -0.391 360.0-135.0 -62.4 141.7 -62.2 26.0 -13.3 3 8 A V E -A 17 0A 66 14,-2.5 14,-3.3 -2,-0.1 2,-0.5 -0.766 15.4-152.7 -93.9 145.9 -61.1 29.3 -14.7 4 9 A T E -A 16 0A 78 -2,-0.3 2,-0.5 12,-0.2 12,-0.2 -0.976 8.9-165.9-123.7 126.4 -57.3 30.1 -14.9 5 10 A V E -A 15 0A 17 10,-3.2 10,-3.0 -2,-0.5 2,-0.4 -0.977 20.8-142.4-107.2 123.1 -55.8 33.5 -14.8 6 11 A Q E -A 14 0A 105 -2,-0.5 2,-0.8 8,-0.2 -2,-0.0 -0.686 1.6-145.7 -82.8 133.0 -52.1 33.4 -15.9 7 12 A V E -A 13 0A 0 6,-3.2 2,-1.9 -2,-0.4 6,-1.4 -0.888 14.7-146.6 -99.9 113.1 -49.7 35.6 -14.1 8 13 A A + 0 0 72 -2,-0.8 2,-0.2 4,-0.2 -1,-0.1 -0.380 54.0 114.6 -85.7 68.9 -47.2 36.6 -16.8 9 14 A V S S- 0 0 34 -2,-1.9 219,-0.1 2,-0.1 -2,-0.1 -0.588 74.2 -65.1-127.1 172.9 -44.1 36.8 -14.8 10 15 A D S S+ 0 0 132 1,-0.3 146,-0.1 -2,-0.2 -2,-0.1 -0.931 132.9 21.1-115.0 119.6 -40.9 34.8 -15.0 11 16 A P S S- 0 0 81 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.461 105.6-142.1 -71.9 144.8 -41.4 32.1 -14.2 12 17 A P - 0 0 77 0, 0.0 -4,-0.2 0, 0.0 -2,-0.1 -0.317 19.2-170.2 -70.4 152.9 -45.2 32.4 -15.0 13 18 A Y E -A 7 0A 1 -6,-1.4 -6,-3.2 -3,-0.0 2,-0.3 -0.966 16.5-120.6-139.2 159.2 -47.8 30.8 -12.8 14 19 A P E -A 6 0A 33 0, 0.0 146,-2.3 0, 0.0 2,-0.6 -0.762 5.2-152.4 -95.7 149.5 -51.5 30.1 -12.9 15 20 A V E -Ab 5 160A 0 -10,-3.0 -10,-3.2 -2,-0.3 2,-0.5 -0.986 21.4-159.6-109.0 120.2 -54.2 31.2 -10.5 16 21 A V E -Ab 4 161A 18 144,-3.0 146,-3.5 -2,-0.6 2,-0.5 -0.878 6.1-167.6-106.3 129.3 -57.0 28.6 -10.8 17 22 A I E +Ab 3 162A 8 -14,-3.3 -14,-2.5 -2,-0.5 2,-0.2 -0.965 35.6 93.1-124.3 112.7 -60.5 29.6 -9.6 18 23 A G E - b 0 163A 9 144,-1.9 146,-2.8 -2,-0.5 2,-0.4 -0.832 68.9 -67.0-167.4-150.5 -63.2 27.0 -9.1 19 24 A T S S+ 0 0 99 1,-0.3 144,-0.1 -2,-0.2 -2,-0.0 -0.984 100.3 4.0-133.9 123.3 -64.9 24.7 -6.6 20 25 A G - 0 0 47 -2,-0.4 -1,-0.3 1,-0.1 3,-0.3 0.960 66.0-179.1 63.8 92.0 -63.4 21.7 -5.0 21 26 A L > + 0 0 6 -3,-0.2 4,-1.9 1,-0.2 3,-0.3 0.197 43.1 114.2-110.3 19.9 -59.8 21.8 -6.2 22 27 A L H > S+ 0 0 34 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.838 77.2 54.7 -59.0 -37.0 -58.3 18.8 -4.6 23 28 A D H > S+ 0 0 100 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.915 106.4 51.0 -63.4 -41.7 -57.8 17.1 -8.0 24 29 A E H > S+ 0 0 51 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.912 108.9 51.4 -61.5 -42.2 -55.9 20.1 -9.3 25 30 A L H X S+ 0 0 4 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.918 109.6 50.1 -58.2 -50.7 -53.6 20.1 -6.2 26 31 A E H X S+ 0 0 30 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.950 108.1 52.4 -50.8 -56.4 -52.9 16.3 -6.7 27 32 A D H < S+ 0 0 126 -4,-2.5 4,-0.2 1,-0.2 -2,-0.2 0.911 114.9 44.9 -45.8 -46.3 -52.0 17.0 -10.4 28 33 A L H < S+ 0 0 59 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.906 127.2 22.2 -65.9 -45.3 -49.6 19.7 -9.2 29 34 A L H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.1 -2,-0.2 0.432 85.8 103.0-114.8 -0.5 -47.8 17.9 -6.4 30 35 A A T 3< S+ 0 0 28 -4,-2.4 -1,-0.1 1,-0.3 -3,-0.1 0.730 84.1 53.2 -53.6 -28.8 -48.2 14.1 -6.9 31 36 A D T 3 S+ 0 0 156 -4,-0.2 2,-0.3 -3,-0.2 -1,-0.3 0.403 85.3 105.1 -92.9 0.0 -44.7 13.7 -8.1 32 37 A R < - 0 0 57 -3,-2.1 28,-0.2 1,-0.1 3,-0.1 -0.647 64.4-145.6 -85.7 140.6 -43.1 15.5 -5.1 33 38 A H S S+ 0 0 145 -2,-0.3 27,-2.4 1,-0.2 2,-0.4 0.879 85.5 18.8 -68.5 -41.8 -41.3 13.3 -2.6 34 39 A K E -c 60 0A 51 25,-0.2 61,-1.7 59,-0.1 2,-0.4 -0.998 60.1-179.9-135.6 139.7 -42.4 15.6 0.3 35 40 A V E -cd 61 95A 0 25,-1.1 27,-2.8 -2,-0.4 2,-0.5 -0.993 10.1-160.9-128.7 135.6 -45.1 18.3 0.8 36 41 A A E -cd 62 96A 0 59,-1.8 61,-2.7 -2,-0.4 2,-0.7 -0.991 8.3-152.8-118.4 126.7 -45.6 20.3 4.0 37 42 A V E -cd 63 97A 0 25,-2.2 27,-3.1 -2,-0.5 2,-0.6 -0.888 6.7-162.1-105.0 109.4 -49.0 22.0 4.4 38 43 A V E +cd 64 98A 0 59,-3.7 61,-2.2 -2,-0.7 2,-0.3 -0.837 24.8 168.8 -95.7 123.1 -48.8 25.0 6.6 39 44 A H E -cd 65 99A 0 25,-2.9 27,-2.1 -2,-0.6 61,-0.2 -0.970 37.2-108.3-143.1 155.3 -52.3 26.0 7.8 40 45 A Q > - 0 0 21 59,-1.9 3,-1.8 -2,-0.3 28,-0.1 -0.282 47.0-101.0 -76.6 160.6 -54.3 28.1 10.3 41 46 A P G > S+ 0 0 48 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.858 116.3 53.3 -57.5 -40.0 -56.0 26.4 13.2 42 47 A G G 3 S+ 0 0 77 1,-0.3 3,-0.3 2,-0.1 4,-0.1 0.525 101.4 60.1 -69.9 -11.9 -59.5 26.2 11.8 43 48 A L G <> + 0 0 25 -3,-1.8 4,-2.5 1,-0.2 3,-0.3 0.184 66.7 113.2-103.1 19.1 -58.5 24.5 8.6 44 49 A A H <> S+ 0 0 24 -3,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.857 75.7 51.3 -60.6 -41.5 -57.0 21.4 10.2 45 50 A E H > S+ 0 0 177 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.844 113.7 46.5 -61.3 -36.2 -59.7 19.0 8.8 46 51 A T H > S+ 0 0 54 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.869 108.8 54.8 -75.4 -36.7 -59.0 20.4 5.4 47 52 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.915 107.2 52.3 -58.4 -39.3 -55.3 20.2 5.9 48 53 A E H X S+ 0 0 43 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.880 105.8 51.5 -71.2 -37.0 -55.8 16.5 6.7 49 54 A E H X S+ 0 0 119 -4,-1.4 4,-3.0 2,-0.2 5,-0.3 0.943 112.5 47.0 -61.9 -48.3 -57.7 15.8 3.5 50 55 A I H X S+ 0 0 11 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.979 114.7 46.0 -55.0 -54.7 -55.0 17.4 1.5 51 56 A R H X S+ 0 0 57 -4,-3.1 4,-1.4 1,-0.2 10,-0.3 0.844 113.9 51.6 -56.3 -36.7 -52.3 15.5 3.4 52 57 A K H X S+ 0 0 122 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.925 109.9 45.0 -68.8 -50.4 -54.4 12.3 3.0 53 58 A R H < S+ 0 0 82 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.844 112.7 52.9 -69.8 -25.4 -54.9 12.5 -0.7 54 59 A L H ><>S+ 0 0 3 -4,-2.3 5,-1.6 -5,-0.3 3,-0.7 0.823 107.0 51.8 -74.5 -32.7 -51.3 13.3 -1.3 55 60 A A H ><5S+ 0 0 41 -4,-1.4 3,-2.6 1,-0.2 -2,-0.2 0.881 100.6 61.9 -70.6 -37.4 -50.2 10.3 0.8 56 61 A G T 3<5S+ 0 0 66 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.604 102.0 54.4 -62.6 -9.4 -52.4 8.1 -1.4 57 62 A K T < 5S- 0 0 116 -3,-0.7 -1,-0.3 2,-0.2 -2,-0.2 0.259 126.9-100.0-108.0 14.6 -50.2 9.2 -4.2 58 63 A G T < 5S+ 0 0 72 -3,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.342 77.4 140.4 85.1 -7.6 -47.0 8.1 -2.5 59 64 A V < - 0 0 4 -5,-1.6 2,-1.6 -6,-0.1 -1,-0.3 -0.499 59.1-128.1 -62.3 128.6 -46.1 11.6 -1.3 60 65 A D E -c 34 0A 67 -27,-2.4 -25,-1.1 -2,-0.3 2,-0.4 -0.651 42.3-170.2 -75.7 87.9 -44.6 11.8 2.1 61 66 A A E -c 35 0A 7 -2,-1.6 2,-0.3 -10,-0.3 -25,-0.2 -0.702 12.1-179.5 -95.4 131.9 -47.1 14.5 3.2 62 67 A H E -c 36 0A 64 -27,-2.8 -25,-2.2 -2,-0.4 2,-0.4 -0.865 14.2-145.5-123.3 158.3 -46.9 16.5 6.5 63 68 A R E -c 37 0A 108 -2,-0.3 2,-0.5 -27,-0.2 -25,-0.2 -0.992 7.6-168.0-130.4 140.3 -49.1 19.2 8.1 64 69 A I E -c 38 0A 6 -27,-3.1 -25,-2.9 -2,-0.4 2,-0.5 -0.973 9.3-153.7-129.8 114.3 -48.0 22.1 10.3 65 70 A E E -c 39 0A 105 -2,-0.5 -25,-0.2 -27,-0.2 -27,-0.1 -0.801 14.6-167.8 -94.5 128.6 -50.5 24.2 12.2 66 71 A I - 0 0 2 -27,-2.1 6,-0.2 -2,-0.5 7,-0.1 -0.686 33.6 -83.6-106.3 164.5 -49.5 27.7 12.9 67 72 A P - 0 0 58 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.315 57.2 -98.3 -64.8 153.5 -51.0 30.2 15.3 68 73 A D S > S- 0 0 92 3,-0.1 3,-0.9 -28,-0.1 4,-0.3 -0.433 73.0 -19.3 -80.6 148.2 -54.0 32.1 13.9 69 74 A A G > S- 0 0 45 1,-0.2 3,-1.4 2,-0.2 4,-0.4 -0.194 125.7 -8.6 60.5-140.0 -54.0 35.6 12.4 70 75 A E G > S+ 0 0 70 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.800 129.2 64.3 -62.8 -33.6 -51.2 38.0 13.1 71 76 A A G X S+ 0 0 61 -3,-0.9 3,-1.1 1,-0.3 -1,-0.3 0.811 95.8 60.5 -59.0 -32.4 -49.7 35.7 15.7 72 77 A G G < S+ 0 0 0 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.693 100.7 55.9 -66.0 -18.3 -49.0 33.2 12.9 73 78 A K G < S+ 0 0 8 -3,-1.6 70,-2.7 -4,-0.4 -1,-0.2 0.242 79.9 119.0 -97.7 6.5 -46.8 35.8 11.2 74 79 A D B X> S-g 143 0B 71 -3,-1.1 4,-1.6 68,-0.2 3,-1.6 -0.519 76.7-112.2 -78.0 143.9 -44.4 36.5 14.0 75 80 A L H 3> S+ 0 0 39 68,-2.1 4,-2.2 1,-0.3 3,-0.4 0.888 116.1 57.6 -35.3 -54.8 -40.7 35.8 13.6 76 81 A P H 3> S+ 0 0 92 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.869 102.4 54.0 -51.8 -36.1 -40.8 33.0 16.2 77 82 A V H <> S+ 0 0 15 -3,-1.6 4,-2.3 -6,-0.2 -2,-0.2 0.923 107.0 52.8 -65.9 -38.5 -43.5 31.1 14.1 78 83 A V H X S+ 0 0 0 -4,-1.6 4,-2.3 -3,-0.4 -1,-0.2 0.938 106.9 50.6 -52.7 -53.6 -41.0 31.4 11.2 79 84 A G H X S+ 0 0 11 -4,-2.2 4,-2.5 1,-0.3 -2,-0.2 0.911 110.7 51.8 -57.7 -38.1 -38.2 29.8 13.4 80 85 A F H X S+ 0 0 86 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.3 0.922 107.7 49.7 -63.3 -45.1 -40.6 27.0 14.2 81 86 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.952 109.8 50.8 -61.9 -47.9 -41.5 26.3 10.6 82 87 A W H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.957 109.0 53.1 -51.4 -54.1 -37.9 26.1 9.6 83 88 A E H X S+ 0 0 86 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.881 111.2 46.1 -46.3 -47.5 -37.3 23.6 12.5 84 89 A V H X S+ 0 0 6 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.854 110.4 52.2 -71.2 -32.1 -40.1 21.5 11.3 85 90 A L H X>S+ 0 0 0 -4,-2.6 5,-2.6 -5,-0.2 4,-1.3 0.903 111.6 47.5 -67.8 -38.7 -38.9 21.6 7.7 86 91 A G H <5S+ 0 0 32 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.915 113.6 48.1 -65.7 -42.1 -35.5 20.5 8.9 87 92 A R H <5S+ 0 0 199 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.896 113.5 46.4 -67.5 -43.5 -37.0 17.7 11.0 88 93 A I H <5S- 0 0 16 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.750 110.9-121.7 -69.7 -26.7 -39.2 16.5 8.1 89 94 A G T <5 - 0 0 40 -4,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.850 38.4-176.4 81.8 41.0 -36.3 16.6 5.7 90 95 A I < - 0 0 3 -5,-2.6 -1,-0.2 -6,-0.1 2,-0.2 -0.605 13.5-163.6 -74.4 119.0 -37.9 19.0 3.1 91 96 A G > - 0 0 23 -2,-0.5 3,-2.3 -57,-0.1 -57,-0.1 -0.461 36.3 -83.8-103.1-179.2 -35.4 19.4 0.3 92 97 A R T 3 S+ 0 0 89 1,-0.3 28,-0.3 -2,-0.2 -2,-0.1 0.727 126.7 43.5 -52.5 -31.6 -34.7 21.6 -2.6 93 98 A K T 3 S+ 0 0 151 26,-0.1 -1,-0.3 2,-0.1 -60,-0.2 0.319 95.6 94.5-102.2 4.4 -37.3 19.8 -4.8 94 99 A D < - 0 0 11 -3,-2.3 26,-0.9 -62,-0.1 2,-0.3 -0.070 63.9-133.1 -85.1-167.5 -40.0 19.5 -2.3 95 100 A A E -de 35 120A 0 -61,-1.7 -59,-1.8 24,-0.1 2,-0.3 -0.990 6.7-144.3-152.6 151.3 -42.9 21.8 -1.8 96 101 A L E -de 36 121A 0 24,-2.3 26,-1.9 -2,-0.3 2,-0.4 -0.865 11.0-155.8-110.7 154.4 -45.0 23.7 0.7 97 102 A V E -de 37 122A 0 -61,-2.7 -59,-3.7 -2,-0.3 2,-0.4 -0.995 7.1-151.9-126.9 139.4 -48.7 24.4 0.7 98 103 A S E -de 38 123A 0 24,-2.1 26,-1.8 -2,-0.4 2,-0.4 -0.904 12.8-176.5-108.8 138.8 -50.3 27.4 2.5 99 104 A L E +de 39 124A 4 -61,-2.2 -59,-1.9 -2,-0.4 2,-0.3 -0.929 45.4 37.4-144.1 115.5 -53.8 27.1 3.7 100 105 A G E S- e 0 125A 0 24,-1.5 26,-2.5 -2,-0.4 27,-0.5 -0.954 89.6 -31.9 146.5-162.4 -55.6 30.0 5.4 101 106 A G S >> S- 0 0 5 -2,-0.3 3,-1.7 25,-0.2 4,-1.6 -0.164 80.3 -70.4 -84.5-176.8 -55.9 33.8 5.1 102 107 A G H 3> S+ 0 0 16 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.718 130.6 61.2 -50.0 -26.2 -53.3 36.3 4.0 103 108 A A H 3> S+ 0 0 12 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.892 106.4 45.4 -68.0 -42.1 -51.3 35.7 7.3 104 109 A A H <> S+ 0 0 0 -3,-1.7 4,-2.3 2,-0.2 5,-0.3 0.870 112.5 49.9 -65.0 -38.9 -50.8 32.0 6.4 105 110 A T H X S+ 0 0 2 -4,-1.6 4,-2.4 3,-0.2 -2,-0.2 0.918 113.7 46.8 -72.5 -36.9 -49.8 32.8 2.8 106 111 A D H X S+ 0 0 24 -4,-2.1 4,-2.9 -5,-0.3 5,-0.2 0.969 116.2 40.9 -65.0 -54.5 -47.3 35.4 4.0 107 112 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.946 119.7 45.3 -67.5 -42.9 -45.7 33.4 6.7 108 113 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.875 113.5 52.7 -68.2 -32.3 -45.7 30.2 4.7 109 114 A G H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.915 108.1 48.7 -60.9 -46.0 -44.4 32.3 1.7 110 115 A F H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.903 111.4 51.5 -62.9 -34.6 -41.5 33.7 3.7 111 116 A A H < S+ 0 0 0 -4,-2.0 3,-0.4 -5,-0.2 -2,-0.2 0.941 110.6 46.0 -71.0 -45.7 -40.6 30.2 4.8 112 117 A A H >< S+ 0 0 0 -4,-2.4 7,-1.6 1,-0.2 3,-1.1 0.904 112.8 52.2 -63.4 -37.6 -40.6 28.7 1.3 113 118 A A H 3< S+ 0 0 6 -4,-2.4 388,-0.4 1,-0.3 -1,-0.2 0.785 115.7 39.7 -71.5 -26.5 -38.6 31.7 0.1 114 119 A T T 3< S+ 0 0 0 -4,-1.5 385,-1.8 -3,-0.4 2,-0.6 0.095 91.9 99.8-110.3 17.0 -35.9 31.3 2.8 115 120 A W B X S-J 498 0C 3 -3,-1.1 3,-1.6 383,-0.2 383,-0.2 -0.917 107.8 -23.9-107.2 121.4 -35.6 27.5 2.9 116 121 A L T 3 S- 0 0 22 381,-3.1 -1,-0.2 -2,-0.6 382,-0.1 0.855 127.2 -53.3 47.8 37.2 -32.7 26.0 1.0 117 122 A R T 3 S- 0 0 29 382,-1.5 -1,-0.3 380,-0.3 383,-0.2 0.761 116.6 -33.1 73.9 24.0 -32.7 29.1 -1.1 118 123 A G < - 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