==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 17-AUG-10 3OHI . COMPND 2 MOLECULE: PUTATIVE FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GIARDIA INTESTINALIS; . AUTHOR O.HERZBERG,A.GALKIN . 637 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23621.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 472 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 85 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 37 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 247 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.7 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 2 0 2 6 1 4 0 4 0 0 1 2 1 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 8 5 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 2 A P 0 0 55 0, 0.0 76,-2.6 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-179.1 -2.8 -14.3 7.6 2 3 A L B -a 77 0A 51 74,-0.2 2,-0.4 307,-0.1 76,-0.2 -0.425 360.0-168.2 -59.3 138.9 -3.3 -11.1 9.3 3 4 A C - 0 0 1 74,-1.6 76,-0.2 -2,-0.1 96,-0.1 -0.994 19.4-118.2-140.5 132.0 -2.9 -11.7 13.0 4 5 A T > - 0 0 1 306,-0.7 4,-1.3 -2,-0.4 96,-0.2 -0.071 22.9-124.0 -56.2 160.8 -3.6 -9.7 16.2 5 6 A L H > S+ 0 0 1 94,-0.7 4,-2.7 2,-0.2 5,-0.4 0.868 110.1 63.0 -73.2 -33.4 -0.8 -8.7 18.6 6 7 A R H > S+ 0 0 105 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.918 108.2 37.9 -54.1 -54.1 -2.8 -10.5 21.4 7 8 A Q H > S+ 0 0 26 2,-0.2 4,-1.8 3,-0.2 5,-0.2 0.882 116.7 50.7 -66.7 -44.1 -2.6 -14.0 19.8 8 9 A M H X S+ 0 0 0 -4,-1.3 4,-1.9 1,-0.2 -2,-0.2 0.948 119.3 35.8 -61.4 -47.4 1.0 -13.6 18.4 9 10 A L H X S+ 0 0 1 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.817 111.0 61.9 -80.4 -28.6 2.4 -12.5 21.7 10 11 A G H X S+ 0 0 26 -4,-2.1 4,-1.9 -5,-0.4 -1,-0.2 0.872 110.0 42.5 -56.1 -39.3 0.1 -14.8 23.7 11 12 A E H X S+ 0 0 33 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.898 112.8 52.0 -74.5 -44.8 1.7 -17.8 22.0 12 13 A A H X>S+ 0 0 0 -4,-1.9 5,-1.8 -5,-0.2 4,-0.6 0.919 111.6 48.8 -53.8 -44.9 5.2 -16.3 22.3 13 14 A R H ><5S+ 0 0 82 -4,-2.9 3,-1.1 1,-0.2 -2,-0.2 0.955 111.1 47.2 -61.3 -54.2 4.5 -15.9 26.1 14 15 A K H 3<5S+ 0 0 138 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.784 120.0 39.3 -59.5 -33.1 3.2 -19.4 26.7 15 16 A H H 3<5S- 0 0 91 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.381 111.0-118.4 -98.9 2.4 6.1 -21.0 24.8 16 17 A K T <<5 + 0 0 132 -3,-1.1 2,-0.3 -4,-0.6 -3,-0.2 0.987 69.7 116.3 53.0 69.4 8.8 -18.7 26.1 17 18 A Y < - 0 0 6 -5,-1.8 2,-0.3 225,-0.2 282,-0.2 -0.941 53.3-130.0-146.6 169.7 10.0 -17.1 22.8 18 19 A G B -j 299 0B 0 280,-2.7 282,-0.6 -2,-0.3 2,-0.4 -0.909 9.6-140.1-122.7 154.2 10.1 -13.6 21.4 19 20 A V E -b 248 0A 0 228,-2.3 230,-1.8 -2,-0.3 2,-0.2 -0.950 22.4-125.3-114.5 131.3 9.0 -12.2 18.0 20 21 A G E -b 249 0A 2 -2,-0.4 25,-1.2 23,-0.3 2,-0.6 -0.514 15.6-150.3 -77.1 136.2 11.0 -9.6 16.2 21 22 A A E -bc 250 45A 0 228,-4.2 230,-2.5 -2,-0.2 2,-0.5 -0.948 17.8-161.5-107.8 112.5 9.1 -6.5 15.3 22 23 A F E -bc 251 46A 1 23,-2.7 25,-2.6 -2,-0.6 2,-0.3 -0.821 14.1-128.6-105.7 130.2 10.7 -5.0 12.2 23 24 A N E - c 0 47A 6 228,-1.5 2,-0.3 -2,-0.5 25,-0.2 -0.564 25.7-155.2 -74.8 135.4 10.3 -1.4 10.9 24 25 A V + 0 0 0 23,-2.2 25,-0.4 -2,-0.3 3,-0.1 -0.882 30.0 155.3-119.6 143.6 9.3 -1.1 7.3 25 26 A N - 0 0 1 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.551 65.3 -5.6-137.8 -26.6 9.8 1.7 4.8 26 27 A N S >> S- 0 0 1 1,-0.1 4,-2.0 35,-0.1 3,-0.5 -0.931 81.0 -74.1-166.1-177.6 9.8 0.4 1.3 27 28 A M H 3> S+ 0 0 0 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.874 120.8 50.2 -61.6 -48.7 9.7 -2.7 -0.9 28 29 A E H 3> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.761 111.9 52.2 -68.1 -22.4 13.2 -4.1 -0.5 29 30 A Q H <> S+ 0 0 3 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.933 109.0 45.4 -78.1 -49.4 12.7 -3.8 3.3 30 31 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.922 116.0 50.1 -58.4 -40.3 9.5 -5.7 3.5 31 32 A Q H X S+ 0 0 8 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.907 107.7 51.0 -64.3 -51.3 11.0 -8.4 1.2 32 33 A G H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.933 114.4 44.1 -48.3 -53.4 14.2 -8.8 3.1 33 34 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.936 114.9 48.6 -57.6 -49.1 12.3 -9.3 6.4 34 35 A M H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 5,-0.3 0.853 105.3 56.4 -67.8 -33.6 9.7 -11.7 4.8 35 36 A K H X S+ 0 0 94 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.919 111.0 48.0 -62.2 -35.9 12.3 -13.9 3.1 36 37 A A H X S+ 0 0 0 -4,-1.3 4,-1.8 -5,-0.2 -2,-0.2 0.955 114.0 40.9 -70.2 -53.4 13.8 -14.4 6.5 37 38 A V H <>S+ 0 0 1 -4,-2.1 5,-2.8 1,-0.2 -1,-0.2 0.810 115.7 53.0 -68.8 -29.8 10.7 -15.2 8.5 38 39 A V H ><5S+ 0 0 47 -4,-2.1 3,-1.4 -5,-0.2 -2,-0.2 0.946 108.4 48.8 -65.2 -52.5 9.4 -17.4 5.6 39 40 A Q H 3<5S+ 0 0 111 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.863 120.0 38.9 -55.9 -38.0 12.7 -19.4 5.5 40 41 A L T 3<5S- 0 0 22 -4,-1.8 262,-2.3 -5,-0.1 263,-0.3 0.262 105.8-125.8 -97.3 6.6 12.5 -19.9 9.3 41 42 A K T < 5 + 0 0 140 -3,-1.4 263,-2.8 260,-0.2 262,-0.5 0.898 58.4 152.6 47.7 50.5 8.7 -20.4 9.5 42 43 A S < - 0 0 1 -5,-2.8 -1,-0.2 261,-0.2 259,-0.2 -0.817 49.2-115.8-107.6 146.6 8.4 -17.7 12.1 43 44 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 -23,-0.3 -0.409 38.5-153.1 -69.9 162.9 5.6 -15.3 12.9 44 45 A V E - d 0 77A 0 32,-1.8 34,-2.3 -25,-0.1 2,-0.5 -0.983 21.9-151.4-142.9 146.4 6.3 -11.6 12.2 45 46 A I E -cd 21 78A 0 -25,-1.2 -23,-2.7 -2,-0.3 2,-0.6 -0.999 14.8-165.8-112.3 120.2 5.3 -8.1 13.2 46 47 A L E -cd 22 79A 0 32,-2.5 34,-2.0 -2,-0.5 2,-0.4 -0.949 17.1-163.0 -99.2 117.5 5.7 -5.6 10.4 47 48 A Q E -cd 23 80A 0 -25,-2.6 -23,-2.2 -2,-0.6 2,-0.5 -0.877 13.4-156.8-115.6 144.9 5.6 -2.2 12.0 48 49 A C E - d 0 81A 2 32,-2.1 34,-1.5 -2,-0.4 -23,-0.1 -0.961 7.4-153.7-117.4 120.2 5.0 1.3 10.6 49 50 A S > - 0 0 22 -2,-0.5 4,-1.1 -25,-0.4 34,-0.1 -0.291 33.2-111.7 -73.8 169.1 6.1 4.5 12.2 50 51 A R H > S+ 0 0 108 32,-0.3 4,-1.7 2,-0.2 3,-0.2 0.915 122.0 53.3 -63.4 -40.3 4.3 7.7 11.5 51 52 A G H > S+ 0 0 35 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.744 105.5 51.1 -68.2 -29.5 7.5 8.8 9.7 52 53 A A H > S+ 0 0 0 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.740 108.3 53.4 -76.5 -27.5 7.5 5.7 7.5 53 54 A L H <>S+ 0 0 6 -4,-1.1 5,-2.2 -3,-0.2 -2,-0.2 0.872 110.8 47.0 -71.2 -35.3 3.8 6.5 6.7 54 55 A K H ><5S+ 0 0 165 -4,-1.7 3,-2.2 1,-0.2 -2,-0.2 0.989 106.9 56.3 -66.3 -60.2 5.0 10.0 5.7 55 56 A Y H 3<5S+ 0 0 10 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.748 119.7 32.0 -37.0 -36.4 7.9 8.7 3.6 56 57 A S T 3X>S- 0 0 0 -4,-1.0 4,-1.0 -3,-0.1 5,-0.6 -0.014 104.3-115.2-123.4 22.8 5.4 6.6 1.5 57 58 A D T <45 - 0 0 61 -3,-2.2 2,-3.0 1,-0.2 -3,-0.2 0.811 54.6 -97.5 42.5 36.5 2.2 8.6 1.4 58 59 A M T >5S+ 0 0 18 -2,-3.0 4,-3.1 1,-0.3 -1,-0.2 0.877 94.4 54.1 -64.1 -42.2 -1.0 3.8 0.6 60 61 A Y H X5S+ 0 0 1 -4,-1.0 4,-1.9 1,-0.2 -1,-0.3 0.936 114.1 42.7 -54.8 -47.8 2.2 2.6 -0.9 61 62 A L H >< + 0 0 35 -4,-1.9 3,-0.8 1,-0.1 -1,-0.3 -0.700 63.3 161.0-126.2 73.4 2.6 -15.6 2.3 73 74 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.713 73.5 66.3 -66.4 -19.0 -0.8 -16.7 3.6 74 75 A D T 3 S+ 0 0 136 -3,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.783 87.0 78.8 -67.5 -35.9 0.9 -19.4 5.7 75 76 A I S < S- 0 0 10 -3,-0.8 2,-0.4 -6,-0.1 -3,-0.1 -0.600 82.7-124.8 -84.4 128.8 2.7 -16.9 8.0 76 77 A P - 0 0 1 0, 0.0 -32,-1.8 0, 0.0 2,-0.4 -0.675 36.0-171.3 -68.6 129.5 0.9 -15.1 10.9 77 78 A I E -ad 2 44A 0 -76,-2.6 -74,-1.6 -2,-0.4 2,-0.6 -0.941 12.6-163.5-136.8 107.4 1.5 -11.4 10.1 78 79 A C E - d 0 45A 0 -34,-2.3 -32,-2.5 -2,-0.4 2,-0.6 -0.821 9.0-152.3 -94.3 121.1 0.6 -8.6 12.5 79 80 A I E - d 0 46A 5 -2,-0.6 20,-1.5 -34,-0.2 21,-1.3 -0.888 25.9-174.7 -89.9 122.2 0.5 -5.1 11.0 80 81 A H E -ed 100 47A 0 -34,-2.0 -32,-2.1 -2,-0.6 2,-0.8 -0.985 28.1-133.8-131.4 125.2 1.3 -2.8 13.9 81 82 A L E > -ed 101 48A 0 19,-2.7 21,-2.5 -2,-0.4 3,-0.6 -0.705 28.9-149.5 -78.3 110.4 1.4 1.0 14.3 82 83 A D E 3 - 0 0 7 -34,-1.5 -32,-0.3 -2,-0.8 22,-0.0 -0.617 68.2 -2.2 -82.8 137.6 4.6 1.8 16.1 83 84 A H E 3 S- 0 0 33 -2,-0.3 -1,-0.2 1,-0.2 -33,-0.2 0.835 72.5-168.0 52.4 45.5 4.8 4.9 18.4 84 85 A G E < -e 103 0A 0 18,-1.4 20,-3.6 -3,-0.6 -1,-0.2 -0.480 5.1-174.6 -57.0 126.4 1.2 6.2 17.9 85 86 A D + 0 0 74 18,-0.2 2,-0.2 -2,-0.2 -1,-0.2 0.845 61.6 30.4 -89.5 -44.6 1.4 9.7 19.5 86 87 A T S > S- 0 0 61 1,-0.1 4,-0.7 34,-0.0 18,-0.1 -0.590 78.8-115.0-110.4 170.4 -2.3 10.8 19.2 87 88 A L H > S+ 0 0 24 -2,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.731 116.8 55.9 -70.9 -22.1 -5.7 9.0 19.3 88 89 A E H > S+ 0 0 100 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.865 97.5 57.9 -85.4 -38.3 -6.2 10.2 15.7 89 90 A S H > S+ 0 0 14 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.789 107.2 52.4 -56.4 -30.2 -3.0 8.6 14.4 90 91 A V H >X S+ 0 0 0 -4,-0.7 4,-2.3 2,-0.2 3,-1.0 0.964 106.4 51.2 -69.1 -53.9 -4.4 5.3 15.7 91 92 A K H 3X S+ 0 0 69 -4,-1.7 4,-1.5 1,-0.3 -2,-0.2 0.922 105.7 56.6 -45.7 -53.8 -7.7 5.8 13.8 92 93 A M H 3X S+ 0 0 62 -4,-2.4 4,-0.6 1,-0.2 -1,-0.3 0.803 112.3 42.2 -48.8 -36.9 -5.8 6.5 10.6 93 94 A A H <<>S+ 0 0 0 -3,-1.0 5,-2.0 -4,-0.9 3,-0.5 0.880 104.7 58.1 -88.7 -41.9 -4.0 3.1 10.9 94 95 A I H ><5S+ 0 0 15 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.854 109.0 52.2 -48.9 -33.9 -6.9 0.8 12.0 95 96 A D H 3<5S+ 0 0 116 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.754 96.7 62.3 -83.3 -26.9 -8.5 1.9 8.7 96 97 A L T 3<5S- 0 0 28 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.1 -0.043 130.9 -99.6 -76.3 28.5 -5.5 1.1 6.7 97 98 A G T < 5 + 0 0 39 -3,-0.7 -3,-0.2 1,-0.2 -2,-0.2 0.687 64.4 168.8 55.0 29.1 -6.4 -2.4 8.0 98 99 A F < - 0 0 5 -5,-2.0 -1,-0.2 1,-0.1 -18,-0.2 -0.394 29.8-154.3 -65.5 145.9 -3.8 -2.7 10.8 99 100 A S S S+ 0 0 1 -20,-1.5 31,-1.8 1,-0.2 -94,-0.7 0.503 75.0 22.5 -94.7 -5.5 -4.2 -5.5 13.3 100 101 A S E -ef 80 130A 0 -21,-1.3 -19,-2.7 29,-0.3 2,-0.3 -0.991 60.0-162.2-166.6 142.7 -2.4 -3.7 16.2 101 102 A V E -ef 81 131A 0 29,-3.8 31,-2.8 -2,-0.3 2,-0.5 -0.980 10.9-147.4-133.7 146.7 -1.4 -0.3 17.5 102 103 A M E - f 0 132A 0 -21,-2.5 -18,-1.4 -2,-0.3 2,-0.6 -0.952 7.8-162.5-102.2 132.1 0.9 1.3 20.0 103 104 A I E -ef 84 133A 0 29,-2.5 2,-1.0 -2,-0.5 31,-0.6 -0.963 11.6-157.7-106.2 114.2 -0.1 4.4 21.9 104 105 A D + 0 0 39 -20,-3.6 3,-0.3 -2,-0.6 29,-0.1 -0.660 35.6 145.1 -98.7 87.7 3.1 6.0 23.3 105 106 A A > + 0 0 2 -2,-1.0 3,-1.2 29,-0.2 -1,-0.1 -0.038 30.1 121.2-107.1 31.0 2.3 8.2 26.3 106 107 A S T 3 + 0 0 3 1,-0.3 30,-0.2 30,-0.1 -1,-0.2 0.539 68.1 58.9 -76.8 -10.1 5.4 7.5 28.3 107 108 A H T 3 S+ 0 0 147 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.491 94.4 78.9 -98.4 -6.6 6.6 11.1 28.4 108 109 A H S < S- 0 0 92 -3,-1.2 5,-0.0 1,-0.1 -3,-0.0 -0.694 97.2 -89.1 -92.9 152.5 3.4 12.1 30.2 109 110 A P > - 0 0 98 0, 0.0 4,-2.9 0, 0.0 3,-0.2 -0.092 48.3 -95.8 -47.2 157.8 2.8 11.6 33.9 110 111 A F H > S+ 0 0 56 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.919 123.0 45.9 -44.1 -61.1 1.3 8.3 35.0 111 112 A D H > S+ 0 0 127 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.813 115.8 45.2 -61.6 -37.4 -2.3 9.6 35.2 112 113 A E H > S+ 0 0 77 -3,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.842 113.8 52.3 -73.3 -34.8 -2.1 11.4 31.9 113 114 A N H X S+ 0 0 3 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.945 110.4 46.4 -60.2 -50.4 -0.4 8.2 30.4 114 115 A V H X S+ 0 0 12 -4,-3.1 4,-2.7 -5,-0.2 -2,-0.2 0.876 115.0 48.6 -61.3 -36.7 -3.2 6.0 31.7 115 116 A R H X S+ 0 0 123 -4,-1.5 4,-1.3 -5,-0.2 -2,-0.2 0.950 110.2 47.0 -71.8 -54.2 -5.9 8.4 30.4 116 117 A I H X S+ 0 0 19 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.845 117.3 47.8 -53.9 -38.8 -4.5 8.9 26.9 117 118 A T H X S+ 0 0 0 -4,-2.0 4,-3.4 2,-0.2 5,-0.2 0.956 104.7 54.0 -68.1 -57.8 -4.1 5.1 26.7 118 119 A K H X S+ 0 0 118 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.757 108.0 56.2 -50.4 -28.1 -7.5 4.0 27.9 119 120 A E H X S+ 0 0 84 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.968 111.3 39.6 -67.9 -56.7 -8.8 6.2 25.2 120 121 A V H X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.2 5,-0.3 0.840 114.3 56.0 -60.3 -35.9 -6.8 4.4 22.5 121 122 A V H X S+ 0 0 10 -4,-3.4 4,-2.6 2,-0.2 -1,-0.2 0.888 107.6 48.4 -63.9 -39.6 -7.7 1.1 24.2 122 123 A A H X S+ 0 0 64 -4,-1.8 4,-0.9 -5,-0.2 -2,-0.2 0.922 116.2 41.6 -66.1 -50.0 -11.5 1.8 24.0 123 124 A Y H < S+ 0 0 42 -4,-2.0 4,-0.4 2,-0.1 -2,-0.2 0.920 122.1 41.0 -61.7 -47.4 -11.4 2.8 20.3 124 125 A A H ><>S+ 0 0 0 -4,-2.7 5,-1.7 1,-0.2 3,-1.3 0.923 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