==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-JUL-07 2QHA . COMPND 2 MOLECULE: BETA-1,4-MANNANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR X.X.YAN,D.C.LIANG . 672 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24387.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 443 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.5 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 . 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 . 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 . 39 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 2 2 1 1 2 2 4 0 0 0 0 0 0 0 2 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 4 6 2 0 2 2 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 . 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 0 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 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 H 0 0 143 0, 0.0 2,-0.5 0, 0.0 518,-0.0 0.000 360.0 360.0 360.0 163.6 51.2 48.3 32.9 2 2 A T - 0 0 72 20,-0.0 2,-0.6 2,-0.0 18,-0.0 -0.939 360.0-156.0-109.8 128.1 54.0 50.9 33.0 3 3 A V - 0 0 38 -2,-0.5 19,-0.1 12,-0.1 20,-0.1 -0.928 18.4-158.5-101.7 118.1 54.1 53.5 35.7 4 4 A S - 0 0 78 -2,-0.6 11,-0.1 14,-0.1 12,-0.0 -0.714 22.4-104.3 -97.2 145.1 56.1 56.5 34.5 5 5 A P - 0 0 7 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 -0.327 33.9-117.1 -54.1 149.4 57.8 59.2 36.5 6 6 A V S S+ 0 0 27 207,-0.1 206,-0.1 2,-0.1 3,-0.0 0.796 103.1 81.1 -62.9 -27.8 55.9 62.5 36.5 7 7 A N S > S- 0 0 7 204,-0.3 3,-1.9 1,-0.2 -1,-0.1 -0.726 73.2-157.9 -77.0 110.6 58.8 64.1 34.7 8 8 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.723 90.4 54.5 -65.7 -18.1 58.3 63.0 31.1 9 9 A N T 3 S+ 0 0 124 199,-0.1 3,-0.1 -3,-0.0 200,-0.1 0.206 78.5 145.1-100.4 15.2 62.0 63.5 30.4 10 10 A A < - 0 0 5 -3,-1.9 200,-0.2 -5,-0.1 199,-0.1 -0.174 57.6-100.1 -52.9 141.7 63.3 61.3 33.3 11 11 A Q > - 0 0 40 198,-3.0 4,-2.7 1,-0.1 5,-0.2 -0.241 33.9-109.7 -56.1 151.5 66.5 59.3 32.6 12 12 A Q H > S+ 0 0 66 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.884 118.7 53.3 -53.2 -44.4 66.0 55.7 31.7 13 13 A T H > S+ 0 0 54 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.925 110.4 46.9 -61.0 -42.6 67.3 54.4 35.0 14 14 A T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.911 111.2 51.6 -66.0 -41.5 64.9 56.6 36.9 15 15 A K H X S+ 0 0 67 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.936 112.6 47.0 -56.4 -46.3 62.0 55.4 34.7 16 16 A T H X S+ 0 0 48 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.931 113.0 47.3 -64.4 -47.6 63.0 51.8 35.4 17 17 A V H X S+ 0 0 3 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.925 112.3 49.6 -61.0 -44.2 63.3 52.3 39.2 18 18 A M H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.934 112.8 46.1 -62.6 -46.8 60.0 54.2 39.4 19 19 A N H X S+ 0 0 9 -4,-2.3 4,-1.1 -5,-0.2 -1,-0.2 0.917 113.6 50.1 -61.3 -42.5 58.1 51.5 37.5 20 20 A W H >< S+ 0 0 6 -4,-2.4 3,-0.6 -5,-0.2 4,-0.5 0.931 110.3 49.5 -63.3 -46.7 59.8 48.7 39.5 21 21 A L H >< S+ 0 0 0 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.909 106.3 56.6 -58.5 -43.6 58.9 50.4 42.8 22 22 A A H 3< S+ 0 0 21 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.787 106.0 50.8 -61.4 -28.5 55.3 50.8 41.8 23 23 A H T X< S+ 0 0 2 -4,-1.1 3,-1.7 -3,-0.6 4,-0.3 0.463 79.7 98.6 -90.1 -2.9 54.8 47.1 41.2 24 24 A L G X S+ 0 0 0 -3,-1.4 3,-2.1 -4,-0.5 -1,-0.2 0.880 73.7 60.7 -55.7 -43.2 56.2 45.9 44.5 25 25 A P G 3 S+ 0 0 30 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.612 91.2 70.3 -66.1 -7.1 52.8 45.3 46.2 26 26 A N G < S+ 0 0 77 -3,-1.7 -2,-0.2 309,-0.3 310,-0.1 0.621 86.2 89.8 -75.8 -15.0 51.9 42.8 43.5 27 27 A R S < S- 0 0 24 -3,-2.1 3,-0.1 -4,-0.3 4,-0.1 -0.276 74.4-138.6 -79.0 165.8 54.4 40.4 45.0 28 28 A T S S- 0 0 120 1,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.432 87.8 -1.5-100.4 -3.3 53.9 37.7 47.7 29 29 A E S S+ 0 0 98 -5,-0.2 289,-0.3 1,-0.1 -1,-0.2 -0.927 112.4 51.8-167.3 172.8 57.3 38.6 49.4 30 30 A N S S+ 0 0 57 287,-2.8 289,-0.2 -2,-0.3 288,-0.2 0.927 74.1 123.5 53.4 55.0 60.2 40.9 48.8 31 31 A R + 0 0 28 287,-2.2 2,-0.4 1,-0.2 288,-0.2 0.322 48.2 64.3-136.1 4.3 57.9 43.9 48.5 32 32 A V E -a 319 0A 0 286,-2.2 288,-2.7 -8,-0.1 262,-0.3 -0.949 70.0-141.6-135.6 114.3 58.9 46.6 51.1 33 33 A L E -ab 320 294A 0 260,-2.7 262,-2.2 -2,-0.4 288,-0.2 -0.549 17.3-130.6 -73.8 135.3 62.3 48.3 50.9 34 34 A S - 0 0 0 286,-2.5 29,-2.2 -2,-0.3 2,-0.3 -0.469 30.2-174.3 -75.7 158.5 64.1 49.0 54.2 35 35 A G E -c 63 0B 0 27,-0.2 262,-2.3 26,-0.2 2,-0.3 -0.995 14.9-170.0-157.0 149.1 65.4 52.4 54.7 36 36 A A E -cd 64 297B 0 27,-2.2 29,-2.6 -2,-0.3 2,-0.5 -0.999 26.8-122.0-141.8 141.4 67.5 54.5 57.2 37 37 A F E -c 65 0B 0 260,-2.1 29,-0.1 -2,-0.3 3,-0.1 -0.715 20.6-167.1 -74.6 127.5 68.3 58.2 57.6 38 38 A G E - 0 0 2 27,-2.4 8,-1.3 -2,-0.5 11,-0.3 0.620 44.7-101.3 -90.5 -18.7 72.1 58.6 57.5 39 39 A G E - 0 0 0 26,-0.4 28,-1.6 6,-0.2 2,-0.4 -0.674 45.3 -44.8 127.2 179.3 72.2 62.2 58.9 40 40 A Y E >>> -c 67 0B 37 -2,-0.2 5,-2.9 26,-0.2 4,-2.1 -0.766 68.5 -99.2 -91.8 130.1 72.5 65.9 58.0 41 41 A S T 345S- 0 0 0 26,-2.6 -1,-0.1 -2,-0.4 5,-0.1 -0.182 102.2 -0.7 -55.5 134.2 75.3 66.6 55.5 42 42 A H T 345S+ 0 0 135 3,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.904 132.9 59.6 49.2 49.5 78.5 67.9 57.1 43 43 A D T <45S- 0 0 90 -3,-1.0 -2,-0.2 2,-0.2 -1,-0.2 0.053 129.3 -17.6-158.7 -68.6 76.9 67.7 60.6 44 44 A T T <5S+ 0 0 62 -4,-2.1 -3,-0.2 2,-0.0 -2,-0.0 0.490 93.8 123.0-127.0 -12.4 75.8 64.2 61.4 45 45 A F < + 0 0 26 -5,-2.9 2,-0.3 22,-0.1 -6,-0.2 -0.309 33.1 121.3 -59.4 132.3 75.7 62.4 58.0 46 46 A S S S- 0 0 47 -8,-1.3 3,-0.4 -4,-0.1 4,-0.3 -0.940 74.2 -94.6-166.6-177.3 77.9 59.3 57.8 47 47 A M S > S+ 0 0 47 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.396 93.9 102.0 -88.2 4.5 77.7 55.6 57.2 48 48 A A H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.866 78.5 49.6 -59.6 -41.0 77.5 54.9 60.9 49 49 A E H > S+ 0 0 7 -3,-0.4 4,-2.2 -11,-0.3 -1,-0.2 0.944 111.8 47.7 -65.7 -45.8 73.7 54.3 60.8 50 50 A A H > S+ 0 0 1 -4,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.918 113.4 50.2 -57.8 -41.2 74.0 51.8 57.9 51 51 A D H X S+ 0 0 65 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.877 107.9 51.7 -65.6 -41.0 76.8 50.1 59.9 52 52 A R H X S+ 0 0 86 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.896 111.8 48.3 -59.5 -42.8 74.8 49.9 63.1 53 53 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 6,-0.5 0.926 111.3 48.5 -65.4 -44.1 72.0 48.3 61.1 54 54 A R H X S+ 0 0 113 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.891 111.1 51.5 -64.3 -38.1 74.3 45.8 59.4 55 55 A S H < S+ 0 0 109 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.888 115.3 42.5 -62.2 -39.6 75.8 45.0 62.8 56 56 A A H < S+ 0 0 46 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.840 134.5 13.3 -75.7 -34.7 72.4 44.3 64.2 57 57 A T H < S- 0 0 10 -4,-2.3 -3,-0.2 2,-0.3 -2,-0.2 0.503 90.3-117.9-124.9 -12.3 70.9 42.4 61.3 58 58 A G S < S+ 0 0 48 -4,-2.7 2,-0.3 -5,-0.3 -4,-0.2 0.407 89.2 87.7 78.7 -2.2 73.6 41.3 58.9 59 59 A Q - 0 0 59 -6,-0.5 -2,-0.3 -9,-0.0 -1,-0.3 -0.874 69.7-133.4-129.1 158.1 71.9 43.5 56.3 60 60 A S - 0 0 13 -2,-0.3 262,-2.7 262,-0.3 -26,-0.2 -0.814 37.5 -92.2-110.0 152.3 72.0 47.1 55.1 61 61 A P - 0 0 0 0, 0.0 -26,-0.2 0, 0.0 260,-0.1 -0.341 25.0-138.6 -61.6 141.0 69.0 49.4 54.5 62 62 A A S S+ 0 0 0 258,-0.5 37,-2.4 260,-0.1 2,-0.4 0.899 92.5 43.1 -64.9 -38.5 67.9 49.4 50.9 63 63 A I E S-ce 35 99B 0 -29,-2.2 -27,-2.2 232,-0.2 2,-0.4 -0.895 71.1-166.0-110.0 135.3 67.4 53.2 51.0 64 64 A Y E -ce 36 100B 0 35,-2.0 37,-2.0 -2,-0.4 2,-0.3 -0.987 12.4-146.8-125.0 129.9 69.8 55.6 52.7 65 65 A G E +ce 37 101B 0 -29,-2.6 -27,-2.4 -2,-0.4 -26,-0.4 -0.693 17.3 177.8-102.7 142.3 68.9 59.2 53.5 66 66 A a E - e 0 102B 0 35,-2.6 37,-1.7 -2,-0.3 2,-0.5 -0.977 15.9-151.2-129.7 147.3 70.8 62.4 53.5 67 67 A D E -ce 40 103B 0 -28,-1.6 -26,-2.6 -2,-0.3 37,-0.2 -0.986 3.2-165.2-119.1 121.4 69.5 65.9 54.3 68 68 A Y E + 0 0 0 35,-1.4 15,-2.6 -2,-0.5 2,-0.5 0.644 64.0 77.8 -72.7 -21.3 71.3 68.8 52.6 69 69 A A E -L 82 0C 0 34,-0.4 2,-0.8 13,-0.2 36,-0.7 -0.854 48.6-172.9-114.0 123.5 69.9 71.6 54.7 70 70 A R E > + e 0 105B 19 11,-2.7 3,-2.1 -2,-0.5 36,-0.1 -0.614 19.3 169.3-107.0 70.5 70.9 72.6 58.2 71 71 A G T 3 + 0 0 0 34,-1.7 45,-1.6 -2,-0.8 37,-0.4 0.464 65.1 67.6 -73.3 -2.9 68.2 75.2 58.6 72 72 A W T 3 S+ 0 0 87 42,-0.2 43,-0.3 43,-0.2 2,-0.3 0.609 82.9 96.0 -84.6 -16.4 68.7 75.7 62.4 73 73 A L < - 0 0 60 -3,-2.1 41,-0.6 41,-0.1 2,-0.5 -0.587 70.0-139.9 -79.7 133.9 72.1 77.3 61.7 74 74 A E + 0 0 148 -2,-0.3 2,-0.3 39,-0.1 -2,-0.1 -0.807 35.4 178.5 -84.6 132.4 72.6 81.1 61.5 75 75 A T - 0 0 28 -2,-0.5 3,-0.1 1,-0.1 6,-0.1 -0.909 44.5-112.8-138.3 159.5 75.0 81.7 58.7 76 76 A A S S+ 0 0 79 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.907 112.4 20.7 -60.6 -44.8 76.7 84.6 56.9 77 77 A N S > S- 0 0 92 1,-0.1 3,-2.0 -3,-0.0 4,-0.3 -0.987 84.1-128.4-124.0 138.8 74.7 83.8 53.7 78 78 A I G > S+ 0 0 5 34,-0.4 3,-2.0 -2,-0.4 36,-0.2 0.848 106.4 61.3 -57.1 -36.1 71.6 81.7 54.0 79 79 A E G > S+ 0 0 56 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.645 83.3 79.8 -70.5 -12.9 72.7 79.2 51.3 80 80 A D G < S+ 0 0 62 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.720 79.3 71.6 -60.2 -21.3 75.7 78.3 53.5 81 81 A S G < S+ 0 0 0 -3,-2.0 -11,-2.7 -4,-0.3 2,-0.5 0.649 84.1 83.9 -69.2 -14.8 73.1 76.2 55.3 82 82 A I B < +L 69 0C 1 -3,-2.0 2,-0.4 -13,-0.2 -13,-0.2 -0.796 55.6 172.2 -92.0 127.7 73.1 73.8 52.3 83 83 A D - 0 0 34 -15,-2.6 -42,-0.2 -2,-0.5 3,-0.2 -0.998 15.3-178.6-136.2 134.4 75.9 71.2 52.2 84 84 A V > + 0 0 32 -2,-0.4 3,-2.2 1,-0.1 4,-0.2 0.193 46.8 116.2-119.5 16.1 76.0 68.4 49.6 85 85 A S T > + 0 0 64 1,-0.3 3,-0.9 2,-0.1 4,-0.4 0.680 64.2 73.8 -63.5 -17.2 79.2 66.5 50.7 86 86 A a T 3> S+ 0 0 2 1,-0.2 4,-2.1 -3,-0.2 3,-0.5 0.651 72.9 90.3 -69.4 -12.2 77.0 63.4 51.5 87 87 A N H <> S+ 0 0 1 -3,-2.2 4,-2.9 1,-0.2 5,-0.3 0.850 77.0 58.9 -51.9 -42.1 76.8 62.9 47.7 88 88 A S H <> S+ 0 0 66 -3,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.924 109.9 43.3 -57.9 -43.6 79.9 60.8 47.5 89 89 A D H > S+ 0 0 55 -3,-0.5 4,-2.1 -4,-0.4 -1,-0.2 0.862 112.7 53.0 -70.0 -35.0 78.4 58.2 49.9 90 90 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.920 109.7 47.7 -65.5 -42.6 75.0 58.4 48.2 91 91 A M H X S+ 0 0 23 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.917 112.8 48.7 -64.4 -41.7 76.6 57.6 44.8 92 92 A S H X S+ 0 0 55 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.878 106.7 57.4 -63.8 -35.9 78.5 54.8 46.3 93 93 A Y H <>S+ 0 0 4 -4,-2.1 5,-2.6 1,-0.2 -2,-0.2 0.920 108.8 45.4 -62.0 -43.0 75.3 53.5 47.9 94 94 A W H ><5S+ 0 0 33 -4,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.911 111.7 51.9 -64.5 -44.0 73.7 53.3 44.5 95 95 A K H 3<5S+ 0 0 128 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.846 111.6 49.7 -60.4 -30.1 76.8 51.6 43.0 96 96 A N T 3<5S- 0 0 107 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.177 131.1 -81.3-104.7 15.5 76.6 49.1 45.8 97 97 A G T < 5S+ 0 0 5 -3,-1.3 226,-2.7 1,-0.3 228,-0.5 0.531 93.2 92.0 110.2 12.1 73.0 48.1 45.6 98 98 A G < - 0 0 0 -5,-2.6 -1,-0.3 224,-0.2 -35,-0.2 -0.520 64.0-114.6-123.8-173.7 70.8 50.7 47.4 99 99 A I E -e 63 0B 2 -37,-2.4 -35,-2.0 -2,-0.2 2,-0.2 -0.995 23.1-129.6-131.8 129.4 68.9 53.9 46.6 100 100 A P E -e 64 0B 0 0, 0.0 61,-2.5 0, 0.0 2,-0.4 -0.490 17.8-165.6 -77.5 149.8 69.6 57.4 47.9 101 101 A Q E -ef 65 161B 0 -37,-2.0 -35,-2.6 59,-0.2 2,-0.4 -0.998 2.7-163.5-133.5 134.9 66.9 59.7 49.4 102 102 A I E +ef 66 162B 0 59,-2.6 61,-2.8 -2,-0.4 2,-0.2 -0.983 10.2 173.7-125.3 128.2 67.3 63.4 50.0 103 103 A S E -ef 67 163B 0 -37,-1.7 -35,-1.4 -2,-0.4 2,-0.4 -0.735 21.3-134.2-118.0 173.3 65.2 65.7 52.3 104 104 A L E - 0 0 1 59,-0.6 2,-1.5 -2,-0.2 61,-0.3 -0.922 14.7-167.1-138.1 111.2 65.7 69.3 53.2 105 105 A H E -e 70 0B 14 -36,-0.7 -34,-1.7 -2,-0.4 11,-0.1 -0.546 40.4-157.3 -85.3 68.4 65.5 71.0 56.6 106 106 A L - 0 0 1 -2,-1.5 68,-0.3 -36,-0.1 69,-0.1 -0.206 12.4-121.0 -60.1 131.4 65.4 74.4 54.7 107 107 A A - 0 0 0 -29,-0.2 8,-0.2 1,-0.1 -35,-0.1 -0.239 38.0-100.6 -56.8 158.3 66.4 77.6 56.4 108 108 A N > - 0 0 0 6,-3.2 3,-2.3 -37,-0.4 -1,-0.1 -0.778 26.2-161.9 -96.4 105.6 63.7 80.2 56.5 109 109 A P T 3 S+ 0 0 0 0, 0.0 29,-0.2 0, 0.0 30,-0.1 0.531 84.1 77.5 -74.0 -1.0 64.2 82.9 53.8 110 110 A A T 3 S+ 0 0 14 5,-0.1 2,-0.2 28,-0.1 25,-0.1 0.706 101.0 51.8 -67.4 -19.1 61.9 85.3 55.6 111 111 A F S < S- 0 0 59 -3,-2.3 3,-0.1 3,-0.2 -33,-0.1 -0.711 100.6-106.2-112.9 164.4 65.0 85.8 57.8 112 112 A Q S S- 0 0 98 -2,-0.2 -34,-0.4 1,-0.2 2,-0.3 0.877 96.3 -33.4 -55.8 -38.3 68.6 86.6 57.0 113 113 A S S S+ 0 0 2 -5,-0.1 -1,-0.2 -36,-0.1 -39,-0.1 -0.968 108.7 18.5-167.7 173.9 69.4 82.9 57.8 114 114 A G + 0 0 0 -41,-0.6 -6,-3.2 -2,-0.3 -3,-0.2 -0.187 57.9 120.1 61.2-146.8 68.4 80.0 60.0 115 115 A H > + 0 0 60 -43,-0.3 3,-2.1 -8,-0.2 -43,-0.2 0.724 27.7 159.8 61.3 31.4 65.0 80.0 61.7 116 116 A F T 3 S+ 0 0 27 -45,-1.6 58,-2.2 1,-0.3 59,-0.2 0.689 77.2 37.1 -59.4 -23.3 63.7 76.8 60.0 117 117 A K T 3 S+ 0 0 115 56,-0.2 -1,-0.3 -46,-0.1 -2,-0.1 -0.023 88.1 110.1-119.9 26.6 61.0 76.3 62.7 118 118 A T S < S- 0 0 49 -3,-2.1 54,-0.1 -4,-0.1 2,-0.0 -0.922 70.6-126.5 -97.5 120.3 60.1 80.0 63.2 119 119 A P - 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