==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-FEB-02 1GVG . COMPND 2 MOLECULE: CLAVAMINATE SYNTHASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CLAVULIGERUS; . AUTHOR Z.H.ZHANG,J.REN,C.H.MCKINNON,I.J.CLIFTON,K.HARLOS, . 315 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12995.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 17.1 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 . 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 . 20 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 20.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0 0 1 0 0 1 0 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 3 3 3 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 0 1 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 2 A T 0 0 69 0, 0.0 62,-3.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 135.4 -14.4 -10.5 6.3 2 3 A S E -a 63 0A 87 60,-0.2 2,-0.4 260,-0.0 62,-0.2 -0.964 360.0-170.3-135.7 152.9 -16.8 -8.5 8.6 3 4 A V E -a 64 0A 42 60,-2.3 62,-3.0 -2,-0.3 2,-0.7 -0.996 21.2-134.0-140.5 141.4 -18.4 -9.0 11.9 4 5 A D E +a 65 0A 117 -2,-0.4 3,-0.3 60,-0.2 62,-0.2 -0.878 22.0 178.2 -99.8 114.7 -21.1 -6.9 13.6 5 6 A C > + 0 0 9 60,-3.0 3,-2.0 -2,-0.7 61,-0.2 0.255 42.5 117.3-100.3 12.2 -20.1 -6.3 17.3 6 7 A T G > + 0 0 85 59,-0.3 3,-2.0 1,-0.3 -1,-0.2 0.833 69.8 60.1 -47.5 -43.3 -23.1 -4.1 18.2 7 8 A A G 3 S+ 0 0 81 -3,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.765 101.5 55.8 -60.7 -24.0 -24.4 -6.6 20.8 8 9 A Y G <> S+ 0 0 83 -3,-2.0 4,-2.8 1,-0.2 -1,-0.3 0.301 71.3 112.3 -95.0 14.2 -21.2 -6.4 22.7 9 10 A G H <> S+ 0 0 13 -3,-2.0 4,-2.6 1,-0.2 5,-0.2 0.914 78.0 47.0 -51.2 -54.0 -21.3 -2.6 23.2 10 11 A P H > S+ 0 0 100 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.930 114.9 45.8 -57.3 -47.0 -21.8 -2.7 27.0 11 12 A E H > S+ 0 0 104 -4,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.885 114.0 48.5 -64.2 -39.0 -19.0 -5.3 27.5 12 13 A L H X S+ 0 0 2 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.864 109.1 52.4 -71.5 -34.1 -16.6 -3.5 25.3 13 14 A R H X S+ 0 0 119 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.871 108.7 52.5 -67.9 -34.1 -17.2 -0.1 27.0 14 15 A A H X S+ 0 0 60 -4,-1.9 4,-0.8 -5,-0.2 -2,-0.2 0.961 109.5 47.3 -64.6 -49.1 -16.5 -1.8 30.3 15 16 A L H >X S+ 0 0 7 -4,-2.2 3,-1.2 1,-0.2 4,-0.5 0.901 109.5 54.0 -59.3 -38.5 -13.2 -3.1 29.0 16 17 A A H >< S+ 0 0 13 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.886 102.1 59.9 -62.3 -36.5 -12.3 0.3 27.6 17 18 A A H 3< S+ 0 0 82 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.694 93.4 66.0 -64.2 -20.0 -13.0 1.7 31.2 18 19 A R H << S+ 0 0 140 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.766 87.4 92.2 -72.4 -23.7 -10.2 -0.5 32.6 19 20 A L S << S- 0 0 6 -3,-1.3 11,-0.1 -4,-0.5 71,-0.1 -0.370 90.7 -94.6 -81.8 149.2 -7.6 1.4 30.7 20 21 A P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.330 32.4-136.7 -54.7 137.1 -5.6 4.4 31.8 21 22 A R S S+ 0 0 195 1,-0.2 69,-2.8 68,-0.1 -2,-0.1 0.586 95.8 50.9 -78.2 -10.4 -7.3 7.6 30.6 22 23 A T S >> S+ 0 0 60 67,-0.2 3,-1.2 1,-0.1 4,-0.6 -0.690 70.7 176.9-124.4 79.7 -4.2 9.4 29.4 23 24 A P G >4 S+ 0 0 2 0, 0.0 3,-1.2 0, 0.0 7,-0.3 0.851 71.9 52.0 -52.1 -44.7 -2.5 6.7 27.2 24 25 A R G >4 S+ 0 0 36 64,-0.4 3,-0.6 62,-0.3 63,-0.1 0.697 93.6 71.3 -73.6 -17.5 0.4 8.6 25.9 25 26 A A G <4 S+ 0 0 57 -3,-1.2 -1,-0.3 61,-0.4 62,-0.1 0.743 126.4 4.8 -68.8 -23.5 1.7 9.7 29.3 26 27 A D G S+ 0 0 33 -3,-0.6 4,-2.8 1,-0.2 5,-0.2 0.860 77.1 55.9 -63.6 -37.7 2.1 4.1 26.8 28 29 A Y H > S+ 0 0 78 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.935 111.5 43.4 -63.4 -43.8 3.8 0.9 28.0 29 30 A A H > S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.879 113.2 53.1 -66.8 -38.3 1.5 0.8 31.1 30 31 A F H X S+ 0 0 0 -4,-2.3 4,-2.1 -7,-0.3 -2,-0.2 0.940 112.2 43.7 -60.7 -47.2 -1.5 1.6 29.0 31 32 A L H X S+ 0 0 1 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.803 110.2 55.1 -71.9 -28.0 -0.8 -1.2 26.5 32 33 A D H X S+ 0 0 100 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.929 109.0 49.0 -67.9 -42.1 -0.0 -3.6 29.3 33 34 A A H X S+ 0 0 25 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.906 110.0 51.8 -60.5 -41.0 -3.5 -2.8 30.8 34 35 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.872 107.6 52.6 -64.6 -35.3 -4.9 -3.4 27.3 35 36 A H H X S+ 0 0 85 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.937 109.5 47.4 -64.8 -47.4 -3.2 -6.8 27.1 36 37 A T H >< S+ 0 0 85 -4,-2.4 3,-1.1 1,-0.2 4,-0.3 0.940 114.4 47.8 -59.9 -43.6 -4.6 -7.9 30.4 37 38 A A H >< S+ 0 0 2 -4,-2.4 3,-2.3 1,-0.2 -1,-0.2 0.838 99.7 66.7 -65.1 -34.7 -8.1 -6.7 29.3 38 39 A A H >< S+ 0 0 2 -4,-2.1 3,-1.0 1,-0.3 -1,-0.2 0.707 89.6 66.8 -62.3 -18.0 -7.7 -8.5 25.9 39 40 A A T << S+ 0 0 75 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.683 101.7 49.0 -75.4 -15.9 -7.8 -11.7 27.8 40 41 A S T < S+ 0 0 65 -3,-2.3 -1,-0.2 -4,-0.3 -2,-0.2 0.092 78.1 133.7-110.4 23.7 -11.4 -10.9 28.7 41 42 A L S < S- 0 0 13 -3,-1.0 -3,-0.0 1,-0.1 -29,-0.0 -0.335 73.3 -81.0 -66.8 156.5 -12.8 -10.0 25.3 42 43 A P >> - 0 0 8 0, 0.0 4,-2.6 0, 0.0 3,-0.5 -0.289 44.2-115.8 -56.6 144.2 -16.2 -11.5 24.4 43 44 A G H 3> S+ 0 0 53 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.860 113.0 54.5 -51.9 -43.0 -15.6 -15.1 23.1 44 45 A A H 3> S+ 0 0 57 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.898 112.3 43.8 -58.9 -41.9 -16.9 -14.4 19.6 45 46 A L H <> S+ 0 0 11 -3,-0.5 4,-2.9 2,-0.2 5,-0.3 0.926 111.8 51.6 -71.4 -47.0 -14.4 -11.5 19.2 46 47 A A H X S+ 0 0 10 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.919 113.0 46.8 -56.2 -45.2 -11.5 -13.3 20.7 47 48 A T H X S+ 0 0 88 -4,-2.5 4,-2.6 -5,-0.3 5,-0.3 0.939 112.1 49.3 -63.0 -46.7 -12.1 -16.3 18.3 48 49 A A H X S+ 0 0 26 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.923 115.1 44.4 -60.5 -43.4 -12.5 -14.1 15.3 49 50 A L H X S+ 0 0 1 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.927 113.8 48.6 -68.6 -43.8 -9.3 -12.2 16.0 50 51 A D H X S+ 0 0 68 -4,-2.7 4,-2.3 -5,-0.3 5,-0.2 0.904 113.0 49.0 -62.7 -38.7 -7.3 -15.3 16.9 51 52 A T H X S+ 0 0 61 -4,-2.6 4,-2.8 -5,-0.2 5,-0.5 0.948 113.8 44.6 -66.8 -46.6 -8.5 -17.1 13.7 52 53 A F H X S+ 0 0 9 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.915 112.2 54.0 -64.2 -37.9 -7.7 -14.1 11.5 53 54 A N H < S+ 0 0 31 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.922 116.8 36.6 -63.1 -42.6 -4.3 -13.7 13.2 54 55 A A H < S+ 0 0 70 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.871 134.9 17.3 -79.5 -35.3 -3.3 -17.3 12.6 55 56 A E H < S- 0 0 128 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.548 83.1-149.9-115.8 -10.8 -4.8 -17.9 9.1 56 57 A G < - 0 0 8 -4,-2.3 2,-0.3 -5,-0.5 -1,-0.2 -0.353 30.1-100.0 64.4-159.7 -5.5 -14.5 7.6 57 58 A S > - 0 0 18 1,-0.1 3,-0.5 208,-0.0 120,-0.2 -0.954 21.5-102.0-148.9 171.5 -8.5 -14.7 5.2 58 59 A E T 3 S+ 0 0 120 -2,-0.3 120,-0.3 1,-0.2 119,-0.3 0.897 123.3 44.2 -65.4 -35.3 -9.0 -14.9 1.4 59 60 A D T 3 S- 0 0 23 2,-0.2 -1,-0.2 118,-0.1 193,-0.1 0.461 105.8-127.9 -90.4 -1.2 -9.9 -11.1 1.3 60 61 A G S < S+ 0 0 0 -3,-0.5 205,-2.5 1,-0.1 2,-0.3 0.627 72.5 77.4 71.6 12.7 -7.0 -10.1 3.6 61 62 A H E - B 0 264A 11 203,-0.2 2,-0.5 112,-0.1 203,-0.2 -0.997 56.1-151.4-153.2 155.7 -9.0 -8.0 6.1 62 63 A L E - B 0 263A 4 201,-2.4 201,-3.0 -2,-0.3 2,-0.6 -0.984 16.0-162.2-128.5 119.1 -11.2 -8.2 9.1 63 64 A L E -aB 2 262A 11 -62,-3.1 -60,-2.3 -2,-0.5 2,-0.7 -0.915 3.2-160.6-103.8 120.5 -13.7 -5.4 9.6 64 65 A L E -aB 3 261A 0 197,-3.0 197,-2.5 -2,-0.6 3,-0.3 -0.913 19.2-166.0 -98.3 114.0 -15.2 -5.1 13.1 65 66 A R E +a 4 0A 81 -62,-3.0 -60,-3.0 -2,-0.7 -59,-0.3 -0.800 57.8 20.7-105.2 146.4 -18.4 -3.0 12.7 66 67 A G S S+ 0 0 25 -2,-0.3 -1,-0.2 192,-0.3 194,-0.2 0.761 73.2 157.6 77.8 22.3 -20.4 -1.3 15.4 67 68 A L - 0 0 5 192,-2.5 -1,-0.2 -3,-0.3 -61,-0.1 -0.397 56.1 -78.3 -71.1 160.7 -17.8 -1.1 18.1 68 69 A P + 0 0 7 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.282 58.6 166.5 -64.0 146.7 -18.5 1.6 20.7 69 70 A V - 0 0 25 189,-0.1 3,-0.1 -3,-0.1 92,-0.1 -0.968 38.1 -94.4-155.0 149.2 -17.6 5.1 19.8 70 71 A E - 0 0 38 -2,-0.3 2,-0.1 1,-0.1 5,-0.1 -0.232 47.3 -94.6 -61.7 156.3 -18.5 8.5 21.3 71 72 A A >> - 0 0 62 1,-0.1 3,-1.7 3,-0.0 4,-0.7 -0.464 42.3-112.8 -64.0 147.8 -21.4 10.5 20.2 72 73 A D G >4 S+ 0 0 74 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.884 117.4 56.6 -54.6 -38.5 -20.1 13.0 17.6 73 74 A A G 34 S+ 0 0 86 1,-0.2 -1,-0.3 4,-0.0 4,-0.0 0.715 105.5 52.8 -67.1 -18.8 -20.8 15.9 19.9 74 75 A D G <4 S+ 0 0 127 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.510 90.2 91.8 -95.3 -6.8 -18.7 14.3 22.6 75 76 A L S << S- 0 0 12 -3,-1.2 3,-0.1 -4,-0.7 16,-0.0 -0.522 85.7-103.9 -82.6 154.7 -15.6 13.8 20.4 76 77 A P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.198 52.0 -77.4 -66.6 171.6 -12.9 16.5 20.3 77 78 A T - 0 0 104 1,-0.1 206,-0.2 206,-0.0 3,-0.1 -0.459 67.0 -87.2 -63.1 143.9 -12.7 18.8 17.3 78 79 A T - 0 0 13 204,-2.4 -1,-0.1 1,-0.1 206,-0.1 -0.348 56.8-100.5 -56.9 132.3 -11.0 16.8 14.5 79 80 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 203,-0.1 -0.151 31.5-170.2 -54.7 151.8 -7.2 17.2 14.8 80 81 A S + 0 0 101 1,-0.1 2,-0.3 -3,-0.1 -2,-0.1 0.281 67.5 35.7-123.7 1.5 -5.5 19.7 12.6 81 82 A S S S- 0 0 72 44,-0.0 -1,-0.1 2,-0.0 40,-0.1 -0.968 76.4 -97.4-152.7 166.8 -1.9 18.8 13.5 82 83 A T S S+ 0 0 51 -2,-0.3 2,-0.1 2,-0.1 33,-0.1 -0.975 82.2 40.1-140.8 146.9 0.4 15.9 14.5 83 84 A P S S- 0 0 57 0, 0.0 37,-0.1 0, 0.0 3,-0.1 0.578 85.3-120.4 -78.0 172.7 1.7 14.6 16.7 84 85 A A - 0 0 18 35,-0.3 -2,-0.1 -2,-0.1 35,-0.1 -0.427 34.3 -90.5 -76.9 150.7 -1.1 14.5 19.2 85 86 A P > - 0 0 68 0, 0.0 3,-1.9 0, 0.0 -61,-0.2 -0.354 31.7-133.2 -58.9 135.7 -0.8 16.1 22.7 86 87 A E T 3 S+ 0 0 124 1,-0.3 -61,-0.4 -62,-0.1 -62,-0.3 0.807 105.0 56.5 -63.1 -25.5 0.6 13.5 25.1 87 88 A D T 3 S+ 0 0 121 -63,-0.1 -1,-0.3 -64,-0.1 -3,-0.0 0.425 76.0 134.2 -85.0 0.9 -2.1 14.5 27.7 88 89 A R < - 0 0 32 -3,-1.9 -64,-0.4 1,-0.1 -63,-0.2 -0.280 60.9-114.8 -60.2 130.8 -5.0 13.8 25.3 89 90 A S - 0 0 72 -67,-0.1 -67,-0.2 1,-0.1 -1,-0.1 -0.327 39.4 -89.4 -65.6 145.1 -7.7 11.9 27.0 90 91 A L - 0 0 26 -69,-2.8 2,-0.3 -71,-0.1 -1,-0.1 -0.247 37.9-148.0 -57.0 131.1 -8.4 8.4 25.8 91 92 A L >> - 0 0 8 1,-0.1 4,-2.1 -3,-0.1 3,-0.6 -0.804 21.6-119.4 -98.9 147.5 -11.0 8.1 23.0 92 93 A T H 3> S+ 0 0 22 -2,-0.3 4,-2.3 1,-0.3 5,-0.1 0.870 114.0 52.2 -55.5 -42.1 -13.2 5.0 22.8 93 94 A M H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.851 108.0 52.7 -65.7 -31.0 -11.9 3.9 19.3 94 95 A E H <> S+ 0 0 1 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.881 107.3 52.0 -68.2 -36.7 -8.3 4.2 20.7 95 96 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.923 108.4 51.4 -63.9 -41.0 -9.3 1.9 23.5 96 97 A M H X>S+ 0 0 1 -4,-2.3 4,-3.0 1,-0.2 5,-0.5 0.923 108.3 50.9 -62.5 -42.0 -10.7 -0.5 21.0 97 98 A L H X5S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.825 110.4 51.7 -63.5 -29.1 -7.3 -0.4 19.0 98 99 A G H X5S+ 0 0 0 -4,-1.6 4,-2.3 3,-0.2 -2,-0.2 0.955 115.6 38.4 -71.0 -47.7 -5.6 -1.1 22.3 99 100 A L H X5S+ 0 0 1 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.953 123.0 39.8 -66.3 -54.1 -7.7 -4.1 23.2 100 101 A V H X5S+ 0 0 2 -4,-3.0 4,-1.6 -5,-0.2 -3,-0.2 0.926 115.8 52.9 -64.0 -43.7 -7.9 -5.6 19.7 101 102 A G H X -g 310 0B 0 7,-0.5 3,-2.0 3,-0.4 6,-0.7 -0.983 13.9-137.4-124.6 114.0 8.5 3.9 13.7 111 112 A R T 3 S+ 0 0 141 199,-2.7 200,-0.1 -2,-0.5 -1,-0.1 0.781 99.2 41.7 -39.4 -47.9 11.1 6.5 14.8 112 113 A E T 3 S+ 0 0 71 198,-0.3 2,-0.5 3,-0.1 3,-0.3 0.557 102.3 81.7 -83.4 -9.2 11.1 8.6 11.6 113 114 A L S X S- 0 0 25 -3,-2.0 3,-1.7 1,-0.2 -3,-0.4 -0.856 110.8 -17.0-106.5 125.8 7.3 8.5 11.1 114 115 A R G > S- 0 0 32 -2,-0.5 3,-2.1 1,-0.3 -1,-0.2 0.899 122.7 -59.8 48.9 46.1 4.9 10.9 12.9 115 116 A S G 3 S- 0 0 87 -3,-0.3 -1,-0.3 1,-0.3 -3,-0.1 0.738 94.1 -66.0 59.3 24.1 7.6 11.7 15.5 116 117 A G G < S+ 0 0 10 -3,-1.7 -1,-0.3 -6,-0.7 -2,-0.2 0.594 92.5 153.3 75.4 12.8 7.8 8.0 16.5 117 118 A T < - 0 0 41 -3,-2.1 -7,-0.5 -4,-0.4 -1,-0.2 -0.304 41.5-148.8 -75.8 161.5 4.3 7.9 17.9 118 119 A V S S+ 0 0 6 1,-0.2 2,-0.6 -9,-0.2 173,-0.3 0.846 83.2 55.4 -95.7 -44.3 2.2 4.8 18.1 119 120 A Y S S- 0 0 10 171,-0.1 2,-0.5 -12,-0.1 -35,-0.3 -0.848 72.5-166.9 -94.5 119.3 -1.3 6.2 17.7 120 121 A H E -D 289 0A 2 169,-2.5 169,-2.8 -2,-0.6 2,-0.4 -0.924 15.5-140.8-111.5 127.3 -1.7 8.3 14.5 121 122 A D E -D 288 0A 3 -2,-0.5 2,-0.7 167,-0.2 167,-0.2 -0.698 14.7-155.0 -80.5 130.4 -4.6 10.5 13.8 122 123 A V E +D 287 0A 13 165,-3.1 165,-2.4 -2,-0.4 12,-0.1 -0.921 35.5 139.7-111.2 104.7 -5.5 10.3 10.1 123 124 A Y - 0 0 6 -2,-0.7 2,-0.2 163,-0.2 163,-0.1 -0.931 53.7 -93.9-140.8 157.9 -7.3 13.5 9.0 124 125 A P - 0 0 8 0, 0.0 11,-0.2 0, 0.0 10,-0.1 -0.502 36.4-170.0 -77.0 146.7 -7.2 15.8 5.9 125 126 A S > - 0 0 28 9,-2.1 3,-1.2 -2,-0.2 11,-0.1 -0.999 29.1-104.1-138.8 136.5 -4.9 18.8 5.9 126 127 A P T 3 S+ 0 0 88 0, 0.0 9,-0.0 0, 0.0 8,-0.0 -0.246 103.9 15.1 -57.3 140.3 -4.8 21.6 3.3 127 128 A G T 3 S- 0 0 86 1,-0.2 8,-0.1 7,-0.0 3,-0.1 0.726 88.1-177.8 67.5 23.7 -1.9 21.4 0.8 128 129 A A < - 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