==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 30-MAR-11 3RC9 . COMPND 2 MOLECULE: SUGAR 3-KETOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACTINOMADURA KIJANIATA; . AUTHOR H.M.HOLDEN,R.L.KUBIAK . 314 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14617.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 3 0 1 0 0 1 3 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 1 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 PARALLEL BRIDGES PER LADDER . 0 0 1 0 1 1 1 1 1 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 1 0 0 1 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 8 A N 0 0 196 0, 0.0 3,-0.1 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 113.8 -23.4 -14.3 -45.5 2 9 A P - 0 0 49 0, 0.0 2,-0.3 0, 0.0 26,-0.3 -0.153 360.0-106.7 -62.0 148.3 -26.1 -14.4 -42.8 3 10 A I E -a 28 0A 6 24,-3.1 26,-2.9 1,-0.1 2,-0.6 -0.563 36.4-123.8 -73.0 137.8 -27.2 -17.8 -41.7 4 11 A R E -a 29 0A 89 -2,-0.3 62,-2.6 24,-0.2 63,-1.8 -0.737 29.5-157.7 -89.4 120.8 -30.6 -18.3 -43.1 5 12 A V E -ab 30 67A 0 24,-4.2 26,-2.4 -2,-0.6 27,-1.2 -0.820 12.2-168.4-105.8 133.5 -33.1 -19.1 -40.3 6 13 A G E -ab 32 68A 0 61,-2.7 63,-2.3 -2,-0.5 2,-0.5 -0.913 13.5-146.4-112.3 145.0 -36.5 -20.9 -40.6 7 14 A V E -ab 33 69A 0 25,-2.2 27,-2.9 -2,-0.4 2,-0.7 -0.913 2.8-156.1-107.6 127.5 -38.9 -20.9 -37.7 8 15 A I E +a 34 0A 0 61,-2.5 64,-0.2 -2,-0.5 27,-0.1 -0.863 69.8 19.7-104.2 110.6 -41.2 -23.9 -36.9 9 16 A G S S- 0 0 5 25,-2.3 2,-1.8 -2,-0.7 26,-0.2 0.382 76.2-118.0 103.7 119.2 -44.3 -22.8 -35.0 10 17 A C + 0 0 8 23,-0.1 2,-0.1 4,-0.1 -1,-0.1 -0.527 51.6 179.0 -82.5 64.8 -45.7 -19.3 -34.8 11 18 A A > - 0 0 21 -2,-1.8 4,-2.5 1,-0.1 3,-0.2 -0.391 40.9-124.6 -76.9 149.9 -45.2 -19.2 -31.1 12 19 A D H > S+ 0 0 92 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.910 114.9 52.6 -53.4 -44.4 -46.0 -16.2 -28.8 13 20 A I H >>S+ 0 0 50 1,-0.2 4,-3.0 2,-0.2 5,-1.3 0.821 106.8 51.7 -67.8 -32.0 -42.4 -16.3 -27.6 14 21 A A H 4>S+ 0 0 0 -3,-0.2 5,-2.8 3,-0.2 -1,-0.2 0.947 111.2 47.7 -67.7 -46.6 -41.1 -16.2 -31.1 15 22 A W H <5S+ 0 0 91 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.932 121.9 36.0 -61.5 -42.7 -43.2 -13.2 -31.9 16 23 A R H <5S+ 0 0 116 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.870 135.7 2.7 -83.6 -35.5 -42.1 -11.5 -28.8 17 24 A R T X5S+ 0 0 70 -4,-3.0 4,-1.5 -5,-0.2 -3,-0.2 0.796 124.2 39.6-117.6 -63.4 -38.5 -12.4 -28.3 18 25 A A H > S+ 0 0 40 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.911 112.8 51.5 -65.4 -28.9 -37.3 -9.6 -33.4 21 28 A A H X S+ 0 0 9 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.964 110.8 46.5 -66.2 -51.2 -33.8 -10.7 -32.4 22 29 A L H < S+ 0 0 3 -4,-3.0 6,-0.3 1,-0.2 -1,-0.2 0.914 111.2 53.4 -51.7 -43.8 -33.3 -12.7 -35.6 23 30 A E H < S+ 0 0 109 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.918 114.5 39.1 -64.0 -43.1 -34.7 -9.7 -37.6 24 31 A A H < S+ 0 0 73 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.636 93.4 98.4 -80.2 -20.8 -32.2 -7.2 -36.1 25 32 A E >< - 0 0 10 -4,-1.7 3,-2.1 -3,-0.2 -4,-0.0 -0.643 62.8-152.8 -79.5 116.6 -29.2 -9.5 -36.0 26 33 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.818 93.1 59.5 -52.1 -33.8 -26.9 -8.9 -39.0 27 34 A L T 3 S+ 0 0 54 -25,-0.1 -24,-3.1 -3,-0.1 2,-0.4 0.564 103.5 54.0 -82.6 -2.8 -25.7 -12.5 -38.9 28 35 A T E < -a 3 0A 8 -3,-2.1 2,-0.4 -6,-0.3 -24,-0.2 -0.983 59.3-164.1-132.8 148.7 -29.1 -14.1 -39.3 29 36 A E E -a 4 0A 96 -26,-2.9 -24,-4.2 -2,-0.4 2,-0.9 -0.992 22.6-131.9-127.5 126.6 -31.8 -13.8 -42.0 30 37 A V E +a 5 0A 13 -2,-0.4 -24,-0.2 18,-0.2 3,-0.1 -0.691 35.8 165.6 -77.2 110.1 -35.4 -15.0 -41.4 31 38 A T E + 0 0 12 -26,-2.4 20,-2.1 -2,-0.9 2,-0.3 0.697 58.6 9.0-101.8 -18.8 -36.0 -17.0 -44.6 32 39 A A E -ac 6 51A 0 -27,-1.2 -25,-2.2 18,-0.3 2,-0.4 -0.977 51.8-163.9-160.7 140.9 -39.2 -19.1 -43.8 33 40 A I E -ac 7 52A 0 18,-2.0 20,-2.9 -2,-0.3 2,-0.3 -0.985 17.1-159.4-129.3 121.4 -41.8 -19.3 -41.0 34 41 A A E +ac 8 53A 0 -27,-2.9 -25,-2.3 -2,-0.4 2,-0.3 -0.814 14.2 169.8-102.7 145.9 -44.0 -22.4 -40.8 35 42 A S E - c 0 54A 5 18,-1.8 20,-3.5 -2,-0.3 -2,-0.0 -0.954 47.0-118.5-137.5 153.1 -47.4 -22.8 -39.0 36 43 A R S S+ 0 0 207 -2,-0.3 2,-0.5 18,-0.2 3,-0.1 0.700 113.1 51.9 -53.7 -23.1 -50.1 -25.5 -38.9 37 44 A R S >> S- 0 0 162 1,-0.1 4,-1.9 16,-0.1 3,-0.6 -0.977 76.3-152.4-120.9 123.7 -52.2 -22.6 -40.4 38 45 A W H 3> S+ 0 0 109 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.866 97.3 60.6 -58.1 -38.5 -50.9 -20.8 -43.4 39 46 A D H 3> S+ 0 0 89 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.849 104.0 49.2 -56.2 -39.5 -52.8 -17.7 -42.3 40 47 A R H <> S+ 0 0 83 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.951 110.7 49.5 -69.8 -46.4 -50.8 -17.6 -39.0 41 48 A A H X S+ 0 0 0 -4,-1.9 4,-3.4 1,-0.2 5,-0.3 0.895 109.0 53.9 -51.0 -42.7 -47.5 -17.9 -40.8 42 49 A K H X S+ 0 0 73 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.899 105.6 51.4 -69.1 -39.7 -48.5 -15.1 -43.2 43 50 A R H X S+ 0 0 121 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.910 113.3 47.0 -58.9 -43.1 -49.2 -12.8 -40.2 44 51 A F H X S+ 0 0 3 -4,-2.1 4,-3.1 2,-0.2 3,-0.3 0.928 113.4 46.4 -65.1 -46.7 -45.8 -13.6 -38.8 45 52 A T H X S+ 0 0 8 -4,-3.4 4,-2.6 1,-0.2 -2,-0.2 0.873 106.7 58.1 -66.6 -27.8 -44.0 -13.1 -42.2 46 53 A E H < S+ 0 0 135 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.869 115.5 39.4 -66.9 -29.9 -45.8 -9.9 -42.8 47 54 A R H < S+ 0 0 129 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.904 134.0 16.9 -82.1 -45.2 -44.3 -8.8 -39.5 48 55 A F H < S- 0 0 12 -4,-3.1 -18,-0.2 1,-0.3 -3,-0.2 0.414 100.1-121.0-117.2 -1.3 -40.8 -10.3 -39.7 49 56 A G < + 0 0 33 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.1 -0.329 60.6 101.8 87.4-175.6 -40.2 -11.1 -43.4 50 57 A G S S- 0 0 32 -19,-0.1 -18,-0.3 -4,-0.1 -19,-0.2 -0.099 80.0 -57.4 80.7 178.0 -39.3 -14.5 -45.0 51 58 A E E -c 32 0A 104 -20,-2.1 -18,-2.0 -2,-0.1 2,-0.3 -0.792 49.6-126.9 -93.5 129.1 -41.7 -16.9 -46.8 52 59 A P E -c 33 0A 21 0, 0.0 2,-0.4 0, 0.0 -18,-0.2 -0.564 29.8-162.8 -77.7 135.5 -44.8 -18.1 -45.0 53 60 A V E -c 34 0A 12 -20,-2.9 -18,-1.8 -2,-0.3 2,-0.6 -0.960 16.6-135.9-127.4 138.3 -45.0 -21.9 -45.0 54 61 A E E S-c 35 0A 134 -2,-0.4 4,-0.3 -20,-0.2 -18,-0.2 -0.794 77.0 -0.3 -91.9 120.1 -47.9 -24.3 -44.4 55 62 A G S > S- 0 0 22 -20,-3.5 4,-0.7 -2,-0.6 -20,-0.1 0.210 80.5-100.1 81.2 150.1 -46.8 -27.2 -42.2 56 63 A Y H >> S+ 0 0 24 2,-0.2 4,-1.8 1,-0.2 3,-0.6 0.896 111.1 61.3 -77.5 -43.9 -43.4 -27.9 -40.7 57 64 A P H 3> S+ 0 0 49 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.889 99.2 57.5 -51.3 -39.3 -42.1 -30.6 -43.1 58 65 A A H >4 S+ 0 0 43 -4,-0.3 3,-0.8 1,-0.2 4,-0.5 0.932 106.6 49.2 -61.0 -38.2 -42.3 -28.2 -46.1 59 66 A L H X< S+ 0 0 0 -4,-0.7 3,-1.6 -3,-0.6 -1,-0.2 0.912 106.6 55.1 -67.1 -38.9 -39.9 -25.7 -44.2 60 67 A L H 3< S+ 0 0 13 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.670 103.2 58.6 -68.2 -20.4 -37.4 -28.5 -43.4 61 68 A E T << S+ 0 0 148 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.580 81.1 112.5 -80.3 -13.0 -37.3 -29.3 -47.1 62 69 A R X - 0 0 63 -3,-1.6 3,-0.7 -4,-0.5 -56,-0.0 -0.345 55.7-156.0 -69.1 140.7 -36.1 -25.8 -48.1 63 70 A D T 3 S+ 0 0 146 1,-0.2 -1,-0.2 -2,-0.1 -3,-0.0 0.600 92.8 67.1 -86.5 -12.6 -32.6 -25.3 -49.5 64 71 A D T 3 S+ 0 0 52 -33,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.142 85.1 85.3 -92.4 29.6 -32.7 -21.7 -48.4 65 72 A V < + 0 0 2 -3,-0.7 -60,-0.2 1,-0.1 3,-0.1 -0.990 41.7 169.0-124.5 122.8 -32.8 -22.7 -44.6 66 73 A D S S+ 0 0 49 -62,-2.6 24,-2.2 -2,-0.4 2,-0.3 0.660 72.4 15.7 -96.8 -26.9 -29.5 -23.4 -42.8 67 74 A A E -bd 5 90A 0 -63,-1.8 -61,-2.7 22,-0.3 2,-0.4 -0.993 66.3-144.5-150.4 151.2 -30.8 -23.5 -39.3 68 75 A V E -bd 6 91A 0 22,-2.8 24,-2.3 -2,-0.3 2,-0.5 -0.974 5.5-148.3-128.2 133.1 -34.2 -23.8 -37.6 69 76 A Y E -bd 7 92A 3 -63,-2.3 -61,-2.5 -2,-0.4 24,-0.2 -0.870 14.8-159.1 -93.9 132.0 -35.5 -22.2 -34.4 70 77 A V E + d 0 93A 0 22,-2.8 24,-2.2 -2,-0.5 -61,-0.1 -0.865 25.7 161.6-116.9 93.5 -38.0 -24.5 -32.6 71 78 A P + 0 0 12 0, 0.0 -58,-0.2 0, 0.0 -57,-0.1 0.011 36.3 134.0 -95.3 26.9 -40.3 -22.7 -30.1 72 79 A L S S- 0 0 10 -64,-0.2 5,-0.1 1,-0.2 -2,-0.1 -0.253 71.1 -74.5 -67.1 162.1 -42.8 -25.6 -30.0 73 80 A P > - 0 0 56 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.294 52.6-110.7 -53.4 141.0 -44.4 -27.0 -26.9 74 81 A A G >> S+ 0 0 1 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.783 114.2 59.1 -44.5 -43.3 -41.8 -29.1 -25.1 75 82 A V G 34 S+ 0 0 66 83,-0.6 4,-0.3 1,-0.3 -1,-0.3 0.739 106.5 51.1 -70.2 -14.9 -43.3 -32.4 -25.6 76 83 A L G <> S+ 0 0 55 -3,-2.0 4,-1.5 1,-0.1 -1,-0.3 0.504 86.1 89.3 -99.6 -2.6 -43.1 -31.8 -29.4 77 84 A H H <> S+ 0 0 3 -3,-1.4 4,-2.7 -4,-0.4 5,-0.4 0.934 81.3 54.5 -57.2 -48.8 -39.4 -30.8 -29.4 78 85 A A H X S+ 0 0 13 -4,-0.5 4,-2.2 1,-0.2 5,-0.2 0.922 107.5 46.7 -60.7 -46.1 -38.0 -34.2 -29.8 79 86 A E H > S+ 0 0 97 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.937 119.5 40.5 -56.6 -47.6 -39.8 -35.2 -33.0 80 87 A W H X S+ 0 0 26 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.795 114.1 48.9 -80.9 -32.4 -39.1 -31.9 -34.7 81 88 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.903 112.3 51.8 -68.4 -46.3 -35.5 -31.3 -33.7 82 89 A D H X S+ 0 0 42 -4,-2.2 4,-2.4 -5,-0.4 -2,-0.2 0.957 113.7 43.5 -53.1 -50.7 -34.8 -34.9 -34.8 83 90 A R H X S+ 0 0 99 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.869 112.4 52.5 -63.1 -40.1 -36.4 -34.2 -38.2 84 91 A A H <>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 -1,-0.2 0.925 111.9 46.0 -61.5 -44.3 -34.7 -30.8 -38.5 85 92 A L H ><5S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.910 111.1 51.5 -68.2 -41.0 -31.3 -32.4 -37.9 86 93 A R H 3<5S+ 0 0 141 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.808 104.3 58.0 -66.3 -27.6 -32.0 -35.2 -40.3 87 94 A A T 3<5S- 0 0 40 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.319 125.1-108.6 -75.2 4.5 -32.9 -32.6 -42.9 88 95 A G T < 5S+ 0 0 45 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.706 74.6 134.6 78.3 26.2 -29.4 -31.2 -42.3 89 96 A K < - 0 0 19 -5,-2.3 -22,-0.3 -6,-0.1 -1,-0.2 -0.853 55.8-124.9-111.5 140.0 -30.3 -28.0 -40.4 90 97 A H E -d 67 0A 34 -24,-2.2 -22,-2.8 -2,-0.4 2,-0.4 -0.480 35.5-136.7 -73.8 164.0 -28.6 -26.8 -37.3 91 98 A V E -de 68 118A 0 26,-2.6 28,-2.8 -24,-0.2 2,-0.6 -0.978 26.3-169.0-136.6 127.1 -31.2 -26.3 -34.4 92 99 A L E -de 69 119A 3 -24,-2.3 -22,-2.8 -2,-0.4 2,-0.5 -0.975 25.0-169.0-103.1 114.1 -31.9 -23.7 -31.8 93 100 A A E -de 70 120A 0 26,-2.8 28,-3.2 -2,-0.6 4,-0.1 -0.921 22.3-120.7-112.0 120.7 -34.5 -25.3 -29.5 94 101 A E E - e 0 121A 17 -24,-2.2 28,-0.1 -2,-0.5 -17,-0.0 -0.339 58.3 -58.9 -55.1 138.2 -36.3 -23.3 -26.8 95 102 A A S S+ 0 0 13 26,-1.5 -1,-0.1 1,-0.1 -21,-0.1 -0.326 119.5 52.5 -62.7 144.1 -35.7 -24.6 -23.3 96 103 A P S S- 0 0 5 0, 0.0 -19,-0.1 0, 0.0 -2,-0.1 0.514 73.3-154.7 -83.6 151.1 -36.3 -27.2 -22.3 97 104 A L S S- 0 0 4 -4,-0.1 2,-0.2 -2,-0.1 -16,-0.1 0.927 70.9 -33.4 -51.2 -59.0 -34.4 -29.0 -25.0 98 105 A T - 0 0 13 -21,-0.1 -23,-0.1 -5,-0.1 -24,-0.1 -0.694 66.8 -86.8-146.6-157.9 -36.6 -32.1 -24.5 99 106 A T S S+ 0 0 34 -2,-0.2 2,-0.3 1,-0.1 -24,-0.1 0.644 95.6 9.7 -99.6 -19.0 -38.5 -34.1 -21.8 100 107 A D S > S- 0 0 45 1,-0.1 4,-2.2 202,-0.0 5,-0.2 -0.984 72.2-104.5-159.3 165.3 -35.9 -36.5 -20.5 101 108 A R H > S+ 0 0 68 198,-0.4 4,-2.6 -2,-0.3 5,-0.2 0.931 114.0 51.5 -67.5 -43.2 -32.2 -37.3 -20.4 102 109 A P H > S+ 0 0 61 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.917 112.1 49.4 -61.7 -37.0 -32.2 -40.4 -22.7 103 110 A Q H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.946 110.2 49.9 -65.2 -44.0 -34.1 -38.3 -25.3 104 111 A A H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.911 108.8 53.0 -61.6 -38.1 -31.7 -35.4 -25.1 105 112 A E H X S+ 0 0 91 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.937 109.6 48.5 -61.8 -46.3 -28.7 -37.9 -25.5 106 113 A R H X S+ 0 0 132 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.892 109.9 51.7 -61.6 -42.4 -30.2 -39.3 -28.7 107 114 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.931 111.9 46.2 -60.7 -42.1 -30.9 -35.8 -30.1 108 115 A F H X S+ 0 0 19 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.862 110.2 54.9 -71.5 -29.6 -27.2 -34.8 -29.5 109 116 A A H X S+ 0 0 30 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.915 107.5 49.0 -66.3 -43.1 -26.1 -38.1 -31.1 110 117 A V H X S+ 0 0 13 -4,-2.2 4,-0.6 1,-0.2 6,-0.2 0.929 115.2 45.3 -61.3 -46.2 -28.0 -37.4 -34.2 111 118 A A H ><>S+ 0 0 3 -4,-2.2 5,-1.8 1,-0.2 3,-1.6 0.947 110.7 52.4 -57.8 -53.3 -26.5 -33.9 -34.3 112 119 A R H ><5S+ 0 0 164 -4,-3.1 3,-1.6 1,-0.3 -2,-0.2 0.910 104.0 56.8 -56.1 -42.8 -23.0 -35.1 -33.6 113 120 A E H 3<5S+ 0 0 153 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.726 114.8 39.3 -65.5 -15.4 -23.0 -37.7 -36.4 114 121 A R T <<5S- 0 0 98 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.329 109.5-116.4-116.4 5.8 -23.8 -34.9 -38.8 115 122 A G T < 5 + 0 0 50 -3,-1.6 2,-0.2 -4,-0.5 -3,-0.2 0.638 66.6 144.7 70.0 15.0 -21.6 -32.1 -37.5 116 123 A L < - 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