==== 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 3RCB . 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) . 14543.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 76.1 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 . 1 0.3 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 . 21 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 29.9 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 1 1 1 1 0 0 1 2 0 1 1 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,-0.1 0.000 360.0 360.0 360.0 95.3 -22.8 -13.9 -45.5 2 9 A P - 0 0 43 0, 0.0 2,-0.3 0, 0.0 26,-0.3 -0.099 360.0-102.6 -65.2 151.1 -25.4 -14.2 -42.7 3 10 A I E -a 28 0A 6 24,-2.8 26,-2.6 1,-0.1 2,-0.7 -0.571 34.6-122.1 -78.0 137.8 -26.8 -17.6 -41.8 4 11 A R E -a 29 0A 85 -2,-0.3 62,-2.3 24,-0.2 63,-1.8 -0.681 30.3-157.4 -85.4 117.7 -30.2 -18.2 -43.2 5 12 A V E -ab 30 67A 1 24,-3.6 26,-1.6 -2,-0.7 27,-1.4 -0.787 11.7-167.8-100.8 130.5 -32.7 -18.9 -40.4 6 13 A G E -ab 32 68A 0 61,-3.0 63,-2.8 -2,-0.5 2,-0.5 -0.933 12.7-149.3-107.8 141.0 -35.9 -20.8 -40.6 7 14 A V E -ab 33 69A 0 25,-2.7 27,-2.8 -2,-0.4 2,-0.6 -0.911 4.4-157.8-104.4 127.4 -38.4 -20.7 -37.7 8 15 A I E +a 34 0A 0 61,-2.9 64,-0.2 -2,-0.5 27,-0.2 -0.904 69.2 22.1-110.3 121.0 -40.7 -23.6 -37.0 9 16 A G S S- 0 0 7 25,-2.0 2,-1.6 -2,-0.6 26,-0.2 0.389 79.0-120.9 98.7 115.6 -43.8 -22.9 -35.0 10 17 A C - 0 0 8 23,-0.1 -1,-0.1 4,-0.1 25,-0.1 -0.568 50.9-176.5 -79.3 70.7 -44.9 -19.3 -34.9 11 18 A A > - 0 0 20 -2,-1.6 4,-2.5 1,-0.1 5,-0.1 -0.281 40.3-122.4 -69.1 152.7 -44.6 -19.1 -31.1 12 19 A D H > S+ 0 0 93 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.932 116.4 51.1 -48.3 -50.3 -45.4 -16.3 -28.8 13 20 A I H >>S+ 0 0 44 1,-0.3 4,-2.8 2,-0.2 5,-1.5 0.821 109.2 48.8 -70.0 -31.0 -41.8 -16.3 -27.6 14 21 A A H 4>S+ 0 0 0 3,-0.2 5,-2.5 2,-0.2 -1,-0.3 0.889 112.2 50.6 -69.8 -40.4 -40.5 -16.2 -31.2 15 22 A W H <5S+ 0 0 72 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.929 121.5 32.8 -62.0 -43.6 -42.9 -13.3 -31.8 16 23 A R H <5S+ 0 0 117 -4,-3.0 -2,-0.2 -5,-0.1 -3,-0.2 0.850 137.3 2.3 -86.6 -35.7 -41.7 -11.4 -28.7 17 24 A R T X5S+ 0 0 67 -4,-2.8 4,-1.8 -5,-0.2 -3,-0.2 0.806 121.6 45.1-116.4 -55.5 -38.0 -12.3 -28.3 18 25 A A H > S+ 0 0 48 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.972 116.3 45.1 -51.2 -44.2 -37.1 -9.4 -33.3 21 28 A A H X S+ 0 0 8 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.927 111.9 48.9 -61.7 -47.6 -33.5 -10.5 -32.4 22 29 A L H < S+ 0 0 2 -4,-3.2 6,-0.2 1,-0.2 -1,-0.2 0.898 112.7 52.0 -54.7 -37.6 -33.0 -12.7 -35.5 23 30 A E H < S+ 0 0 110 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.915 112.9 40.8 -73.2 -40.4 -34.2 -9.7 -37.5 24 31 A A H < S+ 0 0 75 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.652 93.3 97.9 -85.0 -19.9 -31.9 -7.1 -36.0 25 32 A E >< - 0 0 12 -4,-1.9 3,-1.4 -5,-0.2 -4,-0.0 -0.604 61.3-155.2 -80.1 121.2 -28.8 -9.4 -36.0 26 33 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.853 93.1 61.2 -59.4 -35.5 -26.6 -8.8 -39.0 27 34 A L T 3 S+ 0 0 53 -25,-0.1 -24,-2.8 1,-0.1 2,-0.4 0.574 104.8 57.1 -75.5 -6.9 -25.2 -12.4 -38.7 28 35 A T E < -a 3 0A 6 -3,-1.4 2,-0.5 -26,-0.3 -24,-0.2 -0.983 58.3-167.8-135.8 143.5 -28.7 -13.8 -39.3 29 36 A E E -a 4 0A 100 -26,-2.6 -24,-3.6 -2,-0.4 2,-1.1 -0.982 23.2-133.8-125.1 122.4 -31.3 -13.6 -41.9 30 37 A V E +a 5 0A 14 -2,-0.5 -24,-0.2 18,-0.2 3,-0.1 -0.642 35.4 163.6 -73.4 101.2 -34.9 -14.8 -41.5 31 38 A T E + 0 0 8 -26,-1.6 20,-3.0 -2,-1.1 2,-0.3 0.808 60.6 13.1 -89.6 -30.0 -35.4 -16.7 -44.7 32 39 A A E -ac 6 51A 0 -27,-1.4 -25,-2.7 18,-0.3 2,-0.4 -0.984 50.0-166.1-154.6 136.6 -38.5 -18.8 -43.7 33 40 A I E -ac 7 52A 0 18,-1.9 20,-3.1 -2,-0.3 2,-0.4 -0.994 17.2-159.6-120.4 126.8 -41.2 -19.0 -41.1 34 41 A A E +ac 8 53A 0 -27,-2.8 -25,-2.0 -2,-0.4 2,-0.3 -0.844 12.6 173.4-109.2 144.0 -43.4 -22.2 -40.8 35 42 A S E - c 0 54A 6 18,-1.7 20,-2.5 -2,-0.4 7,-0.0 -0.983 45.6-121.3-142.2 148.1 -46.8 -22.5 -39.2 36 43 A R S S+ 0 0 207 -2,-0.3 2,-0.5 18,-0.2 -1,-0.1 0.789 112.4 50.2 -57.4 -23.5 -49.4 -25.2 -38.9 37 44 A R S >> S- 0 0 160 1,-0.1 4,-2.5 16,-0.1 3,-0.8 -0.972 77.7-148.2-121.6 123.9 -51.5 -22.4 -40.5 38 45 A W H 3> S+ 0 0 111 -2,-0.5 4,-3.3 1,-0.3 5,-0.2 0.878 100.5 57.0 -52.7 -42.0 -50.3 -20.6 -43.6 39 46 A D H 3> S+ 0 0 81 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.855 107.6 46.9 -58.8 -40.9 -52.1 -17.4 -42.4 40 47 A R H <> S+ 0 0 83 -3,-0.8 4,-2.6 2,-0.2 5,-0.2 0.962 110.9 51.8 -66.7 -51.4 -50.2 -17.5 -39.1 41 48 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.944 113.5 47.1 -41.3 -53.9 -46.9 -18.1 -41.0 42 49 A K H X S+ 0 0 68 -4,-3.3 4,-2.4 2,-0.2 5,-0.3 0.891 105.0 54.9 -62.7 -46.6 -47.9 -15.1 -43.1 43 50 A R H X S+ 0 0 124 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.932 113.7 47.9 -49.7 -41.7 -48.9 -12.8 -40.1 44 51 A F H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 3,-0.3 0.920 109.8 47.3 -71.2 -48.2 -45.3 -13.6 -39.0 45 52 A T H X S+ 0 0 9 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.841 105.9 59.7 -63.8 -26.6 -43.4 -13.0 -42.2 46 53 A E H < S+ 0 0 137 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.898 113.4 40.7 -65.5 -33.6 -45.2 -9.7 -42.7 47 54 A R H < S+ 0 0 156 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.914 134.3 14.6 -76.0 -44.6 -43.7 -8.6 -39.4 48 55 A F H < S- 0 0 22 -4,-2.4 -18,-0.2 1,-0.3 -3,-0.2 0.420 101.5-117.5-123.5 -2.1 -40.2 -10.0 -39.7 49 56 A G < + 0 0 34 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.1 -0.194 61.1 101.5 90.2 179.0 -39.6 -10.9 -43.3 50 57 A G S S- 0 0 31 -18,-0.1 -18,-0.3 -4,-0.1 -19,-0.2 -0.109 79.1 -58.6 93.0 171.4 -38.9 -14.3 -45.0 51 58 A E E -c 32 0A 112 -20,-3.0 -18,-1.9 -2,-0.1 2,-0.4 -0.770 48.7-129.8 -88.5 128.3 -41.2 -16.7 -46.9 52 59 A P E -c 33 0A 23 0, 0.0 2,-0.4 0, 0.0 -18,-0.2 -0.639 29.3-165.9 -74.0 128.9 -44.2 -17.9 -45.0 53 60 A V E -c 34 0A 12 -20,-3.1 -18,-1.7 -2,-0.4 2,-0.5 -0.912 16.2-135.5-119.3 143.5 -44.3 -21.7 -45.3 54 61 A E E S+c 35 0A 136 -2,-0.4 4,-0.3 -20,-0.2 -18,-0.2 -0.889 76.7 8.0-100.0 128.1 -47.3 -24.0 -44.4 55 62 A G S > S- 0 0 24 -20,-2.5 4,-0.5 -2,-0.5 -20,-0.2 0.177 80.7-107.4 80.1 153.3 -46.2 -27.1 -42.4 56 63 A Y H >> S+ 0 0 23 2,-0.2 4,-2.3 1,-0.1 3,-0.6 0.874 109.1 64.3 -87.6 -39.9 -42.7 -27.7 -41.0 57 64 A P H 3> S+ 0 0 46 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.913 99.1 57.5 -46.8 -44.3 -41.4 -30.4 -43.3 58 65 A A H 3> S+ 0 0 42 -4,-0.3 4,-0.6 1,-0.2 3,-0.4 0.894 107.3 46.9 -60.2 -37.6 -41.6 -28.0 -46.2 59 66 A L H X< S+ 0 0 0 -3,-0.6 3,-1.6 -4,-0.5 -1,-0.2 0.924 106.7 57.0 -72.1 -36.2 -39.3 -25.6 -44.4 60 67 A L H 3< S+ 0 0 9 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.812 104.0 57.1 -62.1 -22.9 -36.9 -28.4 -43.5 61 68 A E H 3< S+ 0 0 146 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.669 81.6 109.8 -81.4 -17.8 -36.6 -29.0 -47.2 62 69 A R << - 0 0 59 -3,-1.6 3,-0.3 -4,-0.6 -30,-0.0 -0.238 55.3-156.1 -67.0 152.1 -35.5 -25.6 -48.2 63 70 A D S S+ 0 0 142 1,-0.2 -1,-0.2 3,-0.0 -4,-0.0 0.601 91.0 70.1 -96.4 -18.2 -32.0 -25.0 -49.5 64 71 A D S S+ 0 0 54 1,-0.1 2,-0.4 -33,-0.1 -1,-0.2 0.063 86.8 84.3 -84.2 32.7 -32.2 -21.4 -48.5 65 72 A V + 0 0 1 -3,-0.3 -60,-0.2 1,-0.1 3,-0.1 -0.947 41.3 167.6-136.6 115.8 -32.1 -22.4 -44.8 66 73 A D S S+ 0 0 51 -62,-2.3 24,-2.3 -2,-0.4 2,-0.3 0.668 72.5 19.2 -97.7 -20.2 -28.9 -23.2 -42.8 67 74 A A E -bd 5 90A 0 -63,-1.8 -61,-3.0 22,-0.3 2,-0.4 -0.993 65.3-144.1-157.1 148.4 -30.4 -23.3 -39.3 68 75 A V E -bd 6 91A 0 22,-2.7 24,-2.5 -2,-0.3 2,-0.5 -0.958 5.7-148.4-125.1 133.6 -33.7 -23.7 -37.7 69 76 A Y E -bd 7 92A 2 -63,-2.8 -61,-2.9 -2,-0.4 24,-0.2 -0.911 15.5-162.4 -95.3 126.8 -35.1 -22.0 -34.6 70 77 A V E + d 0 93A 0 22,-2.6 24,-1.8 -2,-0.5 -61,-0.1 -0.802 23.9 161.1-112.8 85.8 -37.5 -24.4 -32.9 71 78 A P + 0 0 10 0, 0.0 -58,-0.2 0, 0.0 -57,-0.2 0.009 35.9 131.5 -90.3 28.4 -39.8 -22.5 -30.4 72 79 A L S S- 0 0 8 -64,-0.2 5,-0.1 1,-0.2 22,-0.1 -0.276 70.9 -70.8 -65.0 167.0 -42.3 -25.4 -30.3 73 80 A P >> - 0 0 51 0, 0.0 3,-3.4 0, 0.0 4,-0.6 -0.285 50.4-110.9 -55.4 138.3 -43.7 -26.9 -27.1 74 81 A A H >> S+ 0 0 2 1,-0.3 3,-1.3 2,-0.2 4,-0.6 0.786 115.0 55.7 -41.9 -43.7 -41.2 -29.0 -25.1 75 82 A V H 34 S+ 0 0 68 83,-0.8 -1,-0.3 1,-0.3 4,-0.3 0.675 109.6 49.3 -75.7 -5.4 -42.8 -32.3 -25.8 76 83 A L H <> S+ 0 0 58 -3,-3.4 4,-1.2 82,-0.2 -1,-0.3 0.477 86.2 87.6-110.6 -2.4 -42.6 -31.7 -29.5 77 84 A H H S+ 0 0 95 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.918 119.5 39.7 -58.3 -42.3 -39.3 -34.9 -33.3 80 87 A W H X S+ 0 0 25 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.809 114.1 49.7 -89.6 -28.3 -38.5 -31.6 -35.0 81 88 A I H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.925 113.7 49.1 -72.0 -42.5 -35.0 -31.1 -33.8 82 89 A D H X S+ 0 0 39 -4,-2.1 4,-2.1 -5,-0.5 -2,-0.2 0.932 113.8 45.8 -64.9 -41.7 -34.2 -34.6 -34.9 83 90 A R H X S+ 0 0 103 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.2 0.873 112.9 50.2 -66.2 -32.6 -35.9 -34.0 -38.2 84 91 A A H <>S+ 0 0 0 -4,-2.2 5,-2.6 2,-0.2 -2,-0.2 0.915 110.9 48.1 -74.6 -40.5 -34.1 -30.6 -38.7 85 92 A L H ><5S+ 0 0 0 -4,-3.0 3,-2.0 1,-0.2 -1,-0.2 0.912 109.4 54.1 -62.8 -40.4 -30.7 -32.1 -37.9 86 93 A R H 3<5S+ 0 0 137 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.859 103.7 55.5 -68.3 -28.9 -31.4 -34.9 -40.3 87 94 A A T 3<5S- 0 0 42 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.290 126.0-104.3 -77.8 13.3 -32.2 -32.4 -43.0 88 95 A G T < 5S+ 0 0 41 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.814 75.3 139.4 72.2 25.0 -28.7 -30.9 -42.4 89 96 A K < - 0 0 19 -5,-2.6 -22,-0.3 -8,-0.1 -1,-0.2 -0.883 52.4-127.9-104.1 133.7 -29.9 -27.8 -40.4 90 97 A H E -d 67 0A 35 -24,-2.3 -22,-2.7 -2,-0.4 2,-0.4 -0.543 34.8-132.8 -70.6 154.9 -28.1 -26.6 -37.4 91 98 A V E -de 68 118A 0 26,-2.7 28,-3.0 -24,-0.2 2,-0.6 -0.907 28.0-173.2-122.4 131.1 -30.6 -26.2 -34.5 92 99 A L E -de 69 119A 1 -24,-2.5 -22,-2.6 -2,-0.4 2,-0.5 -0.945 25.4-169.7-112.4 108.4 -31.4 -23.5 -31.9 93 100 A A E -de 70 120A 0 26,-3.0 28,-3.5 -2,-0.6 4,-0.1 -0.852 21.3-121.5-107.9 126.0 -33.9 -25.1 -29.6 94 101 A E E - e 0 121A 13 -24,-1.8 28,-0.1 -2,-0.5 -22,-0.1 -0.291 58.2 -55.0 -59.7 155.8 -35.9 -23.2 -27.0 95 102 A E S S+ 0 0 16 26,-1.1 -21,-0.1 25,-0.1 2,-0.1 -0.471 121.7 46.5 -69.7 144.0 -35.4 -24.4 -23.4 96 103 A P S S- 0 0 7 0, 0.0 -19,-0.1 0, 0.0 -2,-0.1 0.639 74.8-152.7 -79.9 150.1 -35.8 -27.0 -22.4 97 104 A L S S- 0 0 4 -2,-0.1 2,-0.2 -4,-0.1 -16,-0.1 0.943 73.9 -32.5 -40.9 -56.3 -34.0 -28.8 -25.3 98 105 A T - 0 0 10 -21,-0.1 -23,-0.1 -5,-0.1 -24,-0.1 -0.755 69.2 -85.7-154.5-164.1 -36.2 -31.8 -24.6 99 106 A T S S+ 0 0 35 -2,-0.2 2,-0.3 -25,-0.2 -24,-0.1 0.614 94.9 11.8 -98.5 -12.7 -38.1 -33.7 -22.0 100 107 A D S > S- 0 0 42 1,-0.1 4,-1.6 202,-0.0 200,-0.1 -0.992 72.6-104.3-161.5 163.8 -35.5 -36.1 -20.5 101 108 A R H > S+ 0 0 72 198,-0.4 4,-2.4 -2,-0.3 5,-0.2 0.879 114.0 50.8 -64.5 -42.3 -31.8 -37.0 -20.4 102 109 A P H > S+ 0 0 62 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.863 111.2 48.2 -68.7 -31.8 -31.9 -40.0 -22.7 103 110 A Q H > S+ 0 0 42 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.850 110.1 54.2 -70.9 -30.9 -33.8 -38.1 -25.4 104 111 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.947 106.6 50.1 -71.3 -46.2 -31.3 -35.2 -25.0 105 112 A E H X S+ 0 0 88 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.921 109.4 52.6 -52.7 -46.1 -28.3 -37.5 -25.6 106 113 A R H X S+ 0 0 131 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.920 109.1 48.3 -62.8 -41.6 -29.9 -39.0 -28.7 107 114 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.923 112.6 49.2 -64.9 -41.2 -30.5 -35.5 -30.2 108 115 A F H X S+ 0 0 19 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.882 110.0 51.4 -63.4 -34.6 -26.8 -34.6 -29.4 109 116 A A H X S+ 0 0 27 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.889 108.8 50.4 -66.4 -43.1 -25.6 -37.8 -31.1 110 117 A V H X S+ 0 0 13 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.884 114.7 45.1 -62.3 -37.9 -27.6 -37.1 -34.2 111 118 A A H >X>S+ 0 0 3 -4,-1.8 5,-2.3 -5,-0.2 3,-0.7 0.907 110.7 52.7 -74.9 -40.6 -26.1 -33.6 -34.3 112 119 A R H ><5S+ 0 0 167 -4,-2.8 3,-2.2 1,-0.3 -2,-0.2 0.963 104.3 55.9 -60.4 -50.3 -22.6 -34.9 -33.5 113 120 A E H 3<5S+ 0 0 148 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.760 115.3 38.8 -53.9 -24.2 -22.6 -37.4 -36.4 114 121 A R H <<5S- 0 0 96 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.388 108.9-120.1-111.5 5.4 -23.4 -34.6 -38.8 115 122 A G T <<5 + 0 0 51 -3,-2.2 2,-0.3 -4,-0.5 -3,-0.2 0.752 63.8 146.7 66.5 22.6 -21.2 -32.0 -37.3 116 123 A L < - 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