==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 06-MAR-13 4JIM . COMPND 2 MOLECULE: FORMATE--TETRAHYDROFOLATE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MOORELLA THERMOACETICA; . AUTHOR L.R.CELESTE,L.L.LOVELACE,L.LEBIODA . 1112 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37884.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 744 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 89 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 2 0.2 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 . 44 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 128 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 308 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 3.1 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 6 6 0 8 4 1 3 2 1 4 3 0 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 6 3 7 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 . 6 6 7 3 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 ANTIPARALLEL BRIDGES PER LADDER . 8 0 3 0 0 0 0 0 0 0 1 1 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 3 A K 0 0 248 0, 0.0 410,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -82.1 4.7 92.3 -24.0 2 4 A V - 0 0 41 1,-0.1 3,-0.1 6,-0.0 111,-0.1 -0.014 360.0-140.1 -56.0 116.0 4.2 88.7 -22.8 3 5 A P - 0 0 55 0, 0.0 110,-0.1 0, 0.0 -1,-0.1 0.106 35.4 -75.6 -62.1-177.4 4.5 88.2 -19.0 4 6 A S > - 0 0 64 1,-0.1 4,-1.7 109,-0.0 5,-0.1 -0.211 43.9-109.2 -75.7 175.6 6.2 85.2 -17.4 5 7 A D H > S+ 0 0 48 2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.861 118.0 42.9 -77.6 -41.5 4.4 81.9 -17.2 6 8 A I H > S+ 0 0 42 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.806 112.2 55.6 -77.4 -28.7 3.8 81.8 -13.5 7 9 A E H > S+ 0 0 44 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.937 109.9 47.9 -61.0 -45.0 2.8 85.5 -13.6 8 10 A I H X S+ 0 0 11 -4,-1.7 4,-0.5 1,-0.2 -2,-0.2 0.936 111.0 49.4 -59.8 -49.5 0.2 84.5 -16.3 9 11 A A H >< S+ 0 0 13 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.850 107.7 54.1 -63.5 -38.2 -1.1 81.6 -14.3 10 12 A Q H 3< S+ 0 0 143 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.893 108.9 48.6 -59.7 -49.1 -1.5 83.8 -11.1 11 13 A A H 3< S+ 0 0 87 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.544 87.2 121.8 -66.3 -7.2 -3.6 86.3 -12.9 12 14 A A << - 0 0 27 -3,-0.9 2,-0.8 -4,-0.5 250,-0.1 -0.286 58.8-141.7 -61.3 142.9 -5.8 83.5 -14.4 13 15 A K - 0 0 78 248,-0.4 2,-0.3 2,-0.0 -1,-0.1 -0.897 25.0-164.1-104.4 105.4 -9.5 83.7 -13.6 14 16 A M - 0 0 55 -2,-0.8 247,-0.1 248,-0.0 248,-0.0 -0.613 12.7-134.9 -89.1 146.5 -10.6 80.1 -13.0 15 17 A K - 0 0 91 -2,-0.3 5,-0.1 22,-0.1 248,-0.0 -0.761 37.6 -95.5 -90.5 145.5 -14.1 78.9 -12.9 16 18 A P >> - 0 0 40 0, 0.0 4,-1.3 0, 0.0 3,-1.3 -0.362 34.1-131.6 -56.4 132.5 -15.1 76.5 -10.1 17 19 A V H 3> S+ 0 0 0 19,-2.5 4,-3.0 1,-0.3 5,-0.2 0.792 103.1 67.5 -67.8 -23.2 -14.7 73.0 -11.7 18 20 A M H 3> S+ 0 0 44 18,-0.5 4,-2.4 1,-0.2 -1,-0.3 0.878 100.3 49.8 -61.4 -34.9 -18.2 72.0 -10.5 19 21 A E H <> S+ 0 0 114 -3,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.931 111.0 49.3 -67.2 -41.3 -19.6 74.5 -12.9 20 22 A L H X S+ 0 0 20 -4,-1.3 4,-1.0 1,-0.2 -2,-0.2 0.939 111.8 49.7 -63.9 -41.0 -17.5 73.1 -15.7 21 23 A A H >X>S+ 0 0 0 -4,-3.0 5,-2.7 2,-0.2 3,-1.1 0.938 110.4 46.3 -64.0 -49.9 -18.6 69.6 -14.8 22 24 A R H ><5S+ 0 0 143 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.928 108.8 59.5 -61.1 -34.5 -22.3 70.3 -14.8 23 25 A G H 3<5S+ 0 0 55 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.749 104.6 48.5 -58.0 -29.2 -21.7 72.1 -18.1 24 26 A L H <<5S- 0 0 12 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.473 126.1-103.2 -88.4 -6.5 -20.3 68.8 -19.6 25 27 A G T <<5S+ 0 0 42 -3,-1.5 2,-0.4 -4,-0.6 -3,-0.2 0.596 73.1 146.7 87.3 17.2 -23.4 67.0 -18.2 26 28 A I < - 0 0 1 -5,-2.7 -1,-0.4 -6,-0.2 -2,-0.1 -0.734 47.2-121.5 -83.4 138.3 -21.5 65.4 -15.3 27 29 A Q > - 0 0 76 -2,-0.4 3,-2.0 -3,-0.1 4,-0.2 -0.389 15.0-116.4 -79.0 153.1 -23.7 65.0 -12.2 28 30 A E G > S+ 0 0 96 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.874 115.7 55.1 -58.5 -36.1 -23.0 66.5 -8.9 29 31 A D G 3 S+ 0 0 130 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.482 101.0 59.0 -78.2 -1.8 -22.6 63.0 -7.3 30 32 A E G < S+ 0 0 12 -3,-2.0 12,-2.3 12,-0.1 2,-0.5 0.321 93.9 84.6-101.1 2.0 -20.0 62.0 -9.9 31 33 A V E < -A 41 0A 19 -3,-1.5 2,-0.6 -4,-0.2 10,-0.2 -0.942 53.6-172.4-115.9 124.4 -17.7 64.9 -8.8 32 34 A E E -A 40 0A 26 8,-2.7 8,-2.4 -2,-0.5 -3,-0.1 -0.927 23.1-144.6-112.8 109.1 -15.2 64.8 -5.9 33 35 A L E -A 39 0A 37 -2,-0.6 558,-2.5 6,-0.2 2,-0.4 -0.328 20.7-170.1 -74.6 147.6 -13.8 68.2 -5.2 34 36 A Y B S-L 590 0B 36 4,-2.3 3,-0.4 1,-0.6 4,-0.4 -0.871 80.8 -41.0-129.1 89.8 -10.2 68.9 -4.1 35 37 A G S S- 0 0 4 554,-2.8 -1,-0.6 -2,-0.4 3,-0.3 -0.255 93.7 -66.7 67.4-169.1 -10.8 72.6 -3.4 36 38 A K S S+ 0 0 111 1,-0.2 -19,-2.5 -3,-0.1 -18,-0.5 0.650 129.4 51.4 -92.4 -6.8 -12.9 74.5 -5.9 37 39 A Y S S+ 0 0 76 -3,-0.4 2,-0.3 -21,-0.2 222,-0.2 0.204 105.5 49.9-117.8 12.1 -10.5 74.3 -8.9 38 40 A K + 0 0 13 -4,-0.4 -4,-2.3 -3,-0.3 2,-0.3 -0.979 60.0 171.3-142.9 143.6 -9.7 70.5 -9.1 39 41 A A E -AB 33 257A 0 218,-1.4 218,-3.1 -2,-0.3 2,-0.4 -0.991 28.4-132.7-149.4 156.4 -12.0 67.5 -9.1 40 42 A K E -AB 32 256A 2 -8,-2.4 -8,-2.7 -2,-0.3 2,-0.4 -0.911 27.2-147.1-105.1 134.6 -12.0 63.7 -9.6 41 43 A I E -A 31 0A 1 214,-2.1 -10,-0.2 -2,-0.4 -11,-0.0 -0.879 17.0-113.0-108.5 138.6 -14.7 62.4 -11.8 42 44 A S > - 0 0 20 -12,-2.3 3,-1.8 -2,-0.4 4,-0.5 -0.270 11.8-131.0 -72.8 147.7 -16.3 59.0 -11.4 43 45 A L T 3> S+ 0 0 29 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.546 100.8 82.8 -72.4 -6.5 -15.9 56.2 -13.9 44 46 A D H 3> S+ 0 0 94 2,-0.2 4,-3.2 1,-0.2 -1,-0.3 0.776 80.4 64.3 -61.4 -26.0 -19.7 56.0 -13.7 45 47 A V H <> S+ 0 0 0 -3,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.961 104.2 44.0 -63.7 -49.6 -19.8 58.8 -16.2 46 48 A Y H 4 S+ 0 0 43 -4,-0.5 4,-0.4 1,-0.2 3,-0.2 0.925 113.8 52.7 -57.6 -46.3 -18.2 56.6 -18.8 47 49 A R H >< S+ 0 0 116 -4,-1.8 3,-1.2 1,-0.2 -2,-0.2 0.934 110.8 43.8 -60.2 -48.6 -20.4 53.7 -17.9 48 50 A R H 3< S+ 0 0 101 -4,-3.2 3,-0.3 1,-0.2 -1,-0.2 0.775 120.6 42.0 -73.7 -16.4 -23.7 55.6 -18.2 49 51 A L T >< S+ 0 0 25 -4,-1.7 3,-1.8 -3,-0.2 -1,-0.2 0.274 80.6 116.7-104.1 13.4 -22.5 57.3 -21.5 50 52 A K T < S+ 0 0 123 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.1 0.720 76.6 44.1 -58.9 -33.4 -21.0 54.0 -22.9 51 53 A D T 3 S+ 0 0 155 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.469 89.5 103.4 -96.8 -5.6 -23.4 53.8 -25.8 52 54 A K S < S- 0 0 124 -3,-1.8 2,-0.1 1,-0.1 -3,-0.0 -0.379 84.0 -94.5 -64.1 155.6 -23.2 57.5 -26.9 53 55 A P - 0 0 112 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.413 38.4-112.7 -74.3 149.5 -21.1 58.2 -29.9 54 56 A D - 0 0 81 1,-0.1 237,-0.2 -2,-0.1 3,-0.1 -0.578 26.6-126.4 -75.7 142.8 -17.4 59.3 -29.5 55 57 A G - 0 0 15 235,-2.2 2,-0.3 238,-0.4 240,-0.3 -0.015 46.0 -68.0 -69.5-176.3 -16.3 62.8 -30.5 56 58 A K E -c 295 0A 80 238,-2.8 240,-3.0 267,-0.1 2,-0.6 -0.622 47.7-140.3 -78.0 139.4 -13.5 63.4 -32.8 57 59 A L E -c 296 0A 3 265,-0.3 267,-2.2 -2,-0.3 268,-1.6 -0.894 17.3-174.0-109.3 119.1 -10.0 62.5 -31.6 58 60 A I E -cd 297 325A 0 238,-3.3 240,-2.5 -2,-0.6 2,-0.4 -0.926 7.7-158.9-116.4 111.2 -7.1 64.8 -32.3 59 61 A L E -cd 298 326A 0 266,-2.0 268,-2.5 -2,-0.6 2,-0.5 -0.770 5.1-152.7 -86.4 136.0 -3.6 63.7 -31.4 60 62 A V E +cd 299 327A 0 238,-3.1 240,-1.3 -2,-0.4 2,-0.2 -0.938 28.0 151.9-105.4 128.7 -0.9 66.3 -31.0 61 63 A T E - d 0 328A 0 266,-3.0 268,-2.2 -2,-0.5 2,-0.3 -0.653 24.1-139.6-136.1-170.4 2.7 65.3 -31.6 62 64 A A E - d 0 329A 4 240,-0.3 242,-2.3 266,-0.3 243,-0.2 -0.930 22.7 -88.1-149.3 169.6 6.0 66.9 -32.8 63 65 A I S S- 0 0 0 266,-1.9 266,-0.1 -2,-0.3 3,-0.1 -0.187 75.8 -56.9 -68.7 174.4 9.1 66.6 -34.8 64 66 A T - 0 0 0 239,-0.1 -1,-0.2 1,-0.1 428,-0.1 -0.362 69.7-109.5 -58.3 125.1 12.2 65.1 -33.3 65 67 A P + 0 0 27 0, 0.0 -1,-0.1 0, 0.0 238,-0.1 -0.222 44.0 175.6 -61.6 148.4 13.0 67.1 -30.2 66 68 A T > - 0 0 11 -3,-0.1 3,-1.6 435,-0.0 268,-0.1 -0.942 48.9 -92.8-142.3 163.2 16.1 69.4 -30.2 67 69 A P T 3 S+ 0 0 84 0, 0.0 267,-0.1 0, 0.0 -1,-0.0 0.818 119.7 65.7 -51.9 -29.3 17.8 71.9 -27.9 68 70 A A T 3 S- 0 0 33 265,-0.1 266,-0.1 266,-0.1 265,-0.1 0.717 102.3-133.7 -65.6 -26.3 15.8 74.7 -29.7 69 71 A G < - 0 0 35 -3,-1.6 265,-0.3 1,-0.1 264,-0.1 0.242 12.6-142.5 84.5 150.9 12.4 73.4 -28.4 70 72 A E - 0 0 16 263,-0.1 310,-0.3 264,-0.1 260,-0.1 0.557 29.7-124.6-124.6 -17.1 9.2 72.9 -30.4 71 73 A G > + 0 0 29 258,-0.1 4,-2.0 3,-0.1 5,-0.1 0.821 46.2 159.8 72.2 39.2 6.3 74.0 -28.1 72 74 A K H > + 0 0 34 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.929 69.7 39.7 -59.0 -61.7 4.1 70.8 -28.1 73 75 A T H > S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.870 114.1 56.8 -60.5 -34.2 1.8 71.0 -25.0 74 76 A T H > S+ 0 0 14 37,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.919 107.4 49.0 -59.6 -43.8 1.4 74.7 -25.6 75 77 A T H X S+ 0 0 1 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.927 108.7 52.8 -62.8 -44.3 0.1 73.8 -28.9 76 78 A S H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.899 114.8 40.4 -53.7 -49.0 -2.3 71.2 -27.5 77 79 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 38,-0.2 -1,-0.2 0.926 116.1 51.5 -69.3 -42.2 -3.8 73.7 -25.0 78 80 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 339,-0.2 0.867 109.0 49.5 -61.7 -44.4 -3.8 76.5 -27.6 79 81 A L H X S+ 0 0 1 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.873 110.2 52.2 -57.4 -43.1 -5.6 74.3 -30.2 80 82 A T H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.923 110.9 46.5 -62.3 -48.9 -8.2 73.4 -27.5 81 83 A D H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.853 110.9 52.6 -62.3 -40.7 -8.8 77.0 -26.7 82 84 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.937 109.1 49.3 -61.7 -48.3 -9.1 78.0 -30.3 83 85 A L H <>S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 3,-0.3 0.927 110.1 51.3 -57.3 -48.2 -11.7 75.2 -30.9 84 86 A A H ><5S+ 0 0 34 -4,-2.5 3,-2.1 1,-0.2 -2,-0.2 0.930 107.4 52.4 -50.9 -50.1 -13.6 76.5 -27.9 85 87 A R H 3<5S+ 0 0 124 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.798 104.0 59.1 -56.1 -30.2 -13.6 80.1 -29.3 86 88 A L T 3<5S- 0 0 42 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.290 126.6-103.8 -84.6 8.0 -14.9 78.6 -32.6 87 89 A G T < 5S+ 0 0 68 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.458 72.1 146.5 90.8 6.2 -17.9 77.4 -30.6 88 90 A K < - 0 0 73 -5,-2.2 2,-0.9 -6,-0.2 -1,-0.3 -0.419 55.0-122.2 -80.9 147.9 -16.9 73.7 -30.4 89 91 A R + 0 0 109 -2,-0.1 205,-1.6 2,-0.0 206,-1.5 -0.770 56.4 159.0 -87.5 103.3 -17.6 71.4 -27.5 90 92 A V E -e 295 0A 7 -2,-0.9 2,-0.3 203,-0.2 206,-0.2 -0.930 31.1-174.0-137.8 148.3 -14.0 70.4 -26.7 91 93 A M E -e 296 0A 0 204,-1.9 206,-2.3 -2,-0.3 2,-0.4 -0.978 15.6-143.8-134.5 152.1 -11.7 69.0 -24.0 92 94 A V E -ef 297 266A 0 173,-1.2 175,-2.3 -2,-0.3 2,-0.4 -0.927 10.3-155.3-109.6 140.8 -8.0 68.5 -23.8 93 95 A C E +ef 298 267A 0 204,-3.0 206,-0.6 -2,-0.4 2,-0.3 -0.963 21.7 170.1-114.3 132.0 -6.4 65.5 -22.0 94 96 A L E - f 0 268A 4 173,-2.5 175,-1.9 -2,-0.4 188,-0.2 -0.908 31.7 -99.5-137.6 165.0 -2.9 65.7 -20.7 95 97 A R - 0 0 65 -2,-0.3 176,-0.3 173,-0.2 175,-0.1 -0.528 31.9-119.8 -83.3 149.2 -0.3 64.0 -18.5 96 98 A E - 0 0 5 174,-2.4 2,-0.1 -2,-0.2 28,-0.1 -0.752 34.0-124.9 -83.8 127.3 0.5 64.8 -14.9 97 99 A P - 0 0 44 0, 0.0 2,-0.1 0, 0.0 173,-0.1 -0.417 23.8-103.8 -70.1 154.2 4.1 65.8 -14.5 98 100 A S - 0 0 18 1,-0.1 4,-0.3 -2,-0.1 72,-0.0 -0.455 21.6-134.0 -67.2 146.1 6.4 64.2 -12.1 99 101 A L S > S+ 0 0 2 1,-0.2 3,-1.3 2,-0.1 4,-0.5 0.856 92.4 76.2 -68.4 -35.7 7.1 66.2 -8.9 100 102 A G T >> S+ 0 0 2 69,-0.7 3,-1.9 1,-0.3 4,-0.5 0.826 83.6 58.2 -51.0 -51.1 10.9 65.6 -9.1 101 103 A P H >>>S+ 0 0 47 0, 0.0 5,-1.0 0, 0.0 3,-0.9 0.772 92.0 71.8 -54.5 -27.8 11.9 68.0 -11.9 102 104 A S H <45S+ 0 0 2 -3,-1.3 -2,-0.2 -4,-0.3 -3,-0.1 0.839 104.9 39.5 -52.5 -35.6 10.5 70.9 -9.9 103 105 A F H <45S+ 0 0 1 -3,-1.9 439,-2.3 -4,-0.5 -1,-0.2 0.541 121.8 43.4 -96.8 -1.0 13.4 70.6 -7.5 104 106 A G H <<5S- 0 0 2 -3,-0.9 437,-2.4 -4,-0.5 -2,-0.1 0.838 134.8 -34.4-106.3 -81.8 16.0 69.8 -10.2 105 107 A I T <5S+ 0 0 133 -4,-0.8 -3,-0.1 435,-0.2 431,-0.0 0.769 110.0 13.2-111.2 -48.5 15.7 72.0 -13.2 106 108 A K < + 0 0 41 -5,-1.0 2,-0.1 2,-0.0 -4,-0.1 0.475 20.4 171.7 -76.1-144.6 12.0 72.8 -13.8 107 109 A G + 0 0 15 1,-0.1 2,-0.3 -4,-0.1 -8,-0.0 0.637 36.2 162.3 -86.2-163.9 9.1 73.0 -13.1 108 110 A G - 0 0 34 -2,-0.1 4,-0.1 12,-0.1 -1,-0.1 -0.951 41.3 -60.5-162.8 174.3 7.1 74.9 -15.8 109 111 A A - 0 0 18 -2,-0.3 2,-1.6 1,-0.1 9,-0.1 -0.147 45.4-112.0 -61.1 157.7 3.5 75.4 -17.0 110 112 A A E S-G 117 0A 17 7,-0.7 7,-2.0 -37,-0.1 2,-0.4 -0.784 108.9 -8.8 -82.6 84.5 1.4 72.7 -18.3 111 113 A G E S-G 116 0A 16 -2,-1.6 -37,-0.3 5,-0.2 2,-0.3 -0.965 100.1-101.1 121.9-136.3 1.7 74.5 -21.6 112 114 A G E > -G 115 0A 3 3,-2.1 3,-2.7 -2,-0.4 -2,-0.0 -0.933 65.7 -10.3-177.8 157.2 3.3 77.9 -21.7 113 115 A G T 3 S- 0 0 0 -2,-0.3 298,-0.2 1,-0.3 297,-0.1 -0.099 130.3 -8.2 45.2-126.9 2.5 81.6 -22.0 114 116 A Y T 3 S+ 0 0 79 296,-3.5 2,-0.5 295,-0.2 300,-0.3 0.333 126.9 75.0 -84.1 9.6 -1.2 82.2 -22.8 115 117 A A E < S+G 112 0A 0 -3,-2.7 -3,-2.1 295,-0.2 2,-0.3 -0.753 70.1 130.2-119.3 81.0 -1.8 78.4 -23.4 116 118 A Q E -G 111 0A 0 -2,-0.5 145,-1.4 -5,-0.2 2,-0.4 -0.953 51.7-133.8-133.3 157.0 -1.8 76.7 -20.0 117 119 A V E -GH 110 260A 0 -7,-2.0 -7,-0.7 -2,-0.3 143,-0.3 -0.895 47.5-101.8-105.8 140.9 -3.8 74.4 -17.8 118 120 A V E S+ H 0 259A 3 141,-2.9 141,-1.4 -2,-0.4 2,-0.0 -0.875 87.0 39.9-139.3 159.0 -4.3 75.5 -14.2 119 121 A P > - 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