==== 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 3RC2 . COMPND 2 MOLECULE: SUGAR 3-KETOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACTINOMADURA KIJANIATA; . AUTHOR H.M.HOLDEN,R.L.KUBIAK . 316 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14791.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 14.9 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 . 19 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.8 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 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 2 2 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 0 193 0, 0.0 3,-0.1 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 101.2 -12.7 -37.9 -45.8 2 9 A P - 0 0 48 0, 0.0 2,-0.4 0, 0.0 26,-0.3 -0.085 360.0-100.8 -60.7 159.5 -10.3 -37.9 -42.8 3 10 A I E -a 28 0A 7 24,-3.1 26,-3.0 63,-0.0 2,-0.6 -0.657 36.5-125.1 -84.1 139.9 -9.1 -34.5 -41.7 4 11 A R E -a 29 0A 87 -2,-0.4 62,-2.8 24,-0.2 63,-1.7 -0.746 29.0-157.9 -89.7 122.7 -5.6 -33.9 -43.1 5 12 A V E -ab 30 67A 3 24,-3.8 26,-2.6 -2,-0.6 27,-1.2 -0.846 11.2-167.0-111.5 134.7 -3.2 -33.0 -40.3 6 13 A G E -ab 32 68A 0 61,-2.5 63,-3.0 -2,-0.4 2,-0.5 -0.924 12.4-147.5-113.2 146.4 0.1 -31.2 -40.5 7 14 A V E -ab 33 69A 0 25,-2.2 27,-2.9 -2,-0.4 2,-0.6 -0.941 3.7-159.6-116.0 126.1 2.5 -31.1 -37.6 8 15 A I E +a 34 0A 0 61,-2.3 27,-0.1 -2,-0.5 64,-0.1 -0.910 69.5 24.4-105.1 108.8 4.8 -28.1 -37.0 9 16 A G S S- 0 0 5 25,-2.1 2,-1.9 -2,-0.6 26,-0.2 0.323 75.0-121.5 109.9 112.9 7.7 -29.1 -34.8 10 17 A C + 0 0 10 23,-0.1 2,-0.1 4,-0.1 -1,-0.1 -0.533 52.5 176.1 -86.0 75.9 9.2 -32.6 -34.5 11 18 A A > - 0 0 22 -2,-1.9 4,-2.3 1,-0.1 5,-0.2 -0.391 45.9-120.5 -87.2 159.8 8.7 -32.7 -30.8 12 19 A D H > S+ 0 0 97 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.940 117.9 50.7 -58.7 -50.5 9.2 -35.5 -28.2 13 20 A I H >>S+ 0 0 34 1,-0.2 5,-2.1 2,-0.2 4,-2.0 0.801 109.7 51.5 -59.3 -30.3 5.5 -35.4 -27.3 14 21 A A H 4>S+ 0 0 0 3,-0.2 5,-2.9 4,-0.2 -1,-0.2 0.937 112.3 44.5 -70.1 -46.1 4.7 -35.7 -31.0 15 22 A W H <5S+ 0 0 60 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.923 122.9 35.9 -66.9 -39.8 6.9 -38.7 -31.5 16 23 A R H <5S- 0 0 117 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.851 135.6 -0.4 -87.3 -36.9 5.7 -40.5 -28.4 17 24 A R T X5S+ 0 0 63 -4,-2.0 4,-1.6 -5,-0.3 -3,-0.2 0.761 122.9 44.8-121.2 -60.8 2.0 -39.7 -28.1 18 25 A A H > S+ 0 0 49 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.920 113.5 48.9 -62.5 -34.7 1.0 -42.5 -33.0 21 28 A A H X S+ 0 0 6 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.936 112.6 46.1 -60.2 -50.3 -2.5 -41.4 -32.2 22 29 A L H < S+ 0 0 3 -4,-2.7 6,-0.3 1,-0.2 -1,-0.2 0.936 112.1 51.1 -60.3 -44.6 -2.9 -39.5 -35.4 23 30 A E H < S+ 0 0 114 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.899 116.2 40.1 -64.2 -39.5 -1.5 -42.3 -37.5 24 31 A A H < S+ 0 0 71 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.739 93.7 96.7 -76.8 -32.8 -3.8 -44.9 -36.0 25 32 A E >< - 0 0 9 -4,-2.2 3,-1.7 -5,-0.2 -4,-0.0 -0.469 64.3-151.4 -70.1 123.3 -7.0 -42.7 -35.9 26 33 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.821 93.5 59.8 -65.0 -25.9 -9.2 -43.3 -39.0 27 34 A L T 3 S+ 0 0 51 -25,-0.1 -24,-3.1 -26,-0.0 2,-0.4 0.556 103.0 55.9 -80.4 -5.6 -10.5 -39.7 -38.8 28 35 A T E < -a 3 0A 6 -3,-1.7 2,-0.5 -6,-0.3 -24,-0.2 -0.984 60.5-165.3-133.4 137.1 -7.1 -38.1 -39.2 29 36 A E E -a 4 0A 97 -26,-3.0 -24,-3.8 -2,-0.4 2,-0.9 -0.978 22.0-133.8-119.3 126.2 -4.4 -38.4 -41.9 30 37 A V E +a 5 0A 14 -2,-0.5 -24,-0.2 18,-0.2 3,-0.1 -0.655 35.0 166.0 -73.2 107.3 -0.9 -37.2 -41.3 31 38 A T E + 0 0 11 -26,-2.6 20,-2.8 -2,-0.9 2,-0.3 0.752 58.9 5.9 -97.7 -25.9 -0.2 -35.3 -44.5 32 39 A A E -ac 6 51A 0 -27,-1.2 -25,-2.2 18,-0.3 2,-0.4 -0.990 51.4-163.4-155.9 146.7 2.9 -33.2 -43.7 33 40 A I E -ac 7 52A 0 18,-2.5 20,-2.5 -2,-0.3 2,-0.3 -0.990 17.0-160.1-136.7 128.9 5.4 -32.9 -40.8 34 41 A A E +ac 8 53A 0 -27,-2.9 -25,-2.1 -2,-0.4 2,-0.3 -0.792 13.0 170.7-111.4 149.5 7.7 -29.8 -40.7 35 42 A S E - c 0 54A 7 18,-2.2 20,-3.0 -2,-0.3 3,-0.0 -0.985 47.4-115.0-148.0 152.7 10.9 -29.2 -38.9 36 43 A R S S+ 0 0 209 -2,-0.3 2,-0.5 18,-0.2 3,-0.1 0.726 114.1 49.5 -50.6 -27.7 13.7 -26.6 -38.7 37 44 A R S >> S- 0 0 164 1,-0.1 4,-1.9 16,-0.1 3,-1.2 -0.964 77.2-150.1-119.9 116.7 15.8 -29.4 -40.1 38 45 A W H 3> S+ 0 0 106 -2,-0.5 4,-2.8 1,-0.2 5,-0.3 0.876 96.9 59.2 -42.3 -47.4 14.5 -31.3 -43.1 39 46 A D H 3> S+ 0 0 92 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.818 104.7 49.3 -57.7 -36.0 16.4 -34.5 -42.0 40 47 A R H <> S+ 0 0 93 -3,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.915 111.5 48.8 -71.3 -41.0 14.5 -34.5 -38.7 41 48 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.935 110.3 52.1 -60.5 -42.8 11.2 -34.1 -40.5 42 49 A K H X S+ 0 0 77 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.902 107.1 52.4 -66.9 -35.2 12.1 -36.9 -42.9 43 50 A R H X S+ 0 0 117 -4,-1.7 4,-1.5 -5,-0.3 -1,-0.2 0.951 111.3 47.0 -64.4 -43.1 12.9 -39.2 -40.0 44 51 A F H X S+ 0 0 1 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.870 112.9 48.6 -60.2 -42.3 9.4 -38.4 -38.5 45 52 A T H X S+ 0 0 7 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.785 105.1 58.1 -71.8 -23.8 7.7 -39.0 -41.9 46 53 A E H < S+ 0 0 132 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.915 115.1 39.1 -70.1 -38.1 9.6 -42.3 -42.3 47 54 A R H < S+ 0 0 145 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.920 134.5 16.7 -72.3 -47.4 8.0 -43.3 -39.0 48 55 A F H < S- 0 0 18 -4,-3.0 -18,-0.2 1,-0.3 -3,-0.2 0.487 100.0-119.9-117.1 -0.1 4.5 -41.9 -39.4 49 56 A G < + 0 0 33 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.1 -0.228 60.7 100.3 88.1 174.8 3.9 -41.0 -43.1 50 57 A G S S- 0 0 29 -19,-0.1 -18,-0.3 -18,-0.1 -19,-0.2 -0.201 79.0 -56.9 96.5 174.1 3.1 -37.7 -44.7 51 58 A E E -c 32 0A 112 -20,-2.8 -18,-2.5 -2,-0.1 2,-0.3 -0.777 48.4-127.7 -90.6 132.5 5.5 -35.3 -46.6 52 59 A P E -c 33 0A 26 0, 0.0 2,-0.4 0, 0.0 -18,-0.2 -0.583 30.0-164.7 -73.6 139.5 8.5 -34.0 -44.8 53 60 A V E -c 34 0A 12 -20,-2.5 -18,-2.2 -2,-0.3 2,-0.7 -0.977 18.3-132.0-133.6 138.3 8.7 -30.2 -44.9 54 61 A E E S-c 35 0A 138 -2,-0.4 4,-0.3 -20,-0.2 -18,-0.2 -0.788 77.2 -5.9 -88.9 116.8 11.5 -27.7 -44.2 55 62 A G S > S- 0 0 22 -20,-3.0 4,-0.6 -2,-0.7 -20,-0.2 0.212 80.3 -97.6 83.5 158.5 10.4 -24.9 -42.0 56 63 A Y H > S+ 0 0 24 2,-0.2 4,-1.8 1,-0.2 3,-0.5 0.838 110.9 63.1 -84.1 -36.7 6.9 -24.2 -40.7 57 64 A P H > S+ 0 0 46 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.923 100.0 56.5 -59.5 -36.7 5.7 -21.5 -43.1 58 65 A A H 4 S+ 0 0 43 -4,-0.3 4,-0.2 1,-0.2 -2,-0.2 0.901 107.1 48.9 -61.2 -34.7 5.9 -23.9 -46.0 59 66 A L H >< S+ 0 0 0 -4,-0.6 3,-1.6 -3,-0.5 -1,-0.2 0.893 106.9 54.5 -69.1 -38.9 3.6 -26.4 -44.2 60 67 A L H 3< S+ 0 0 11 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.801 102.5 60.8 -65.9 -27.6 1.0 -23.7 -43.4 61 68 A E T 3< S+ 0 0 150 -4,-1.7 -1,-0.3 -5,-0.2 2,-0.3 0.494 81.2 115.8 -73.8 -6.2 0.9 -22.9 -47.1 62 69 A R X - 0 0 63 -3,-1.6 3,-1.0 -4,-0.2 -56,-0.0 -0.498 54.6-157.1 -81.4 134.1 -0.3 -26.4 -48.0 63 70 A D T 3 S+ 0 0 151 -2,-0.3 -1,-0.2 1,-0.2 -3,-0.0 0.690 93.9 63.0 -73.2 -19.1 -3.7 -27.0 -49.6 64 71 A D T 3 S+ 0 0 49 -33,-0.0 2,-0.5 2,-0.0 -1,-0.2 0.154 86.6 86.7 -94.5 25.6 -3.6 -30.6 -48.4 65 72 A V < + 0 0 1 -3,-1.0 -60,-0.2 1,-0.1 3,-0.1 -0.987 40.7 168.1-120.3 124.7 -3.5 -29.6 -44.7 66 73 A D S S+ 0 0 50 -62,-2.8 24,-2.0 -2,-0.5 2,-0.3 0.674 72.3 18.8-100.4 -26.7 -6.9 -28.9 -42.8 67 74 A A E -bd 5 90A 0 -63,-1.7 -61,-2.5 22,-0.3 2,-0.4 -0.983 67.2-145.2-147.1 149.7 -5.6 -28.8 -39.3 68 75 A V E -bd 6 91A 1 22,-2.8 24,-2.0 -2,-0.3 2,-0.5 -0.979 6.9-146.5-126.4 133.3 -2.2 -28.2 -37.7 69 76 A Y E -bd 7 92A 2 -63,-3.0 -61,-2.3 -2,-0.4 24,-0.2 -0.850 15.0-160.4 -95.1 128.4 -0.8 -29.9 -34.5 70 77 A V E + d 0 93A 0 22,-2.7 24,-2.3 -2,-0.5 -61,-0.1 -0.795 26.8 158.4-117.9 89.6 1.5 -27.5 -32.6 71 78 A P + 0 0 9 0, 0.0 -58,-0.2 0, 0.0 -57,-0.2 -0.103 33.4 135.2 -97.4 36.3 3.8 -29.2 -30.1 72 79 A L - 0 0 10 1,-0.2 5,-0.1 -64,-0.1 22,-0.1 -0.305 69.7 -74.1 -71.7 167.2 6.3 -26.3 -30.1 73 80 A P > - 0 0 67 0, 0.0 3,-1.6 0, 0.0 4,-0.5 -0.303 52.0-106.5 -57.9 151.2 7.8 -25.0 -26.8 74 81 A A G > S+ 0 0 1 1,-0.3 3,-1.3 2,-0.2 4,-0.5 0.791 116.5 57.3 -47.9 -44.9 5.3 -22.9 -24.9 75 82 A V G 3 S+ 0 0 99 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.748 108.7 47.8 -68.7 -20.8 6.9 -19.5 -25.6 76 83 A L G <> S+ 0 0 70 -3,-1.6 4,-1.5 1,-0.2 -1,-0.3 0.456 87.3 90.2 -97.3 -0.6 6.5 -20.1 -29.4 77 84 A H H <> S+ 0 0 1 -3,-1.3 4,-3.0 -4,-0.5 5,-0.3 0.943 82.4 52.4 -58.1 -49.1 2.9 -21.3 -29.3 78 85 A A H > S+ 0 0 9 -4,-0.5 4,-2.2 1,-0.2 5,-0.2 0.918 109.0 47.9 -64.3 -45.0 1.2 -17.9 -29.7 79 86 A E H > S+ 0 0 98 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.931 119.0 38.6 -57.6 -45.5 3.2 -16.9 -32.8 80 87 A W H X S+ 0 0 28 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.788 114.9 51.7 -85.3 -26.9 2.6 -20.2 -34.7 81 88 A I H X S+ 0 0 0 -4,-3.0 4,-2.8 -5,-0.2 5,-0.2 0.942 110.5 50.5 -69.4 -49.5 -1.0 -20.8 -33.6 82 89 A D H X S+ 0 0 45 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.927 113.6 45.3 -49.0 -49.3 -1.8 -17.2 -34.7 83 90 A R H X S+ 0 0 96 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.888 111.8 50.6 -67.9 -38.0 -0.2 -18.0 -38.1 84 91 A A H <>S+ 0 0 0 -4,-2.1 5,-2.2 2,-0.2 -1,-0.2 0.916 112.0 47.8 -68.1 -40.2 -1.8 -21.4 -38.6 85 92 A L H ><5S+ 0 0 0 -4,-2.8 3,-2.3 1,-0.2 -2,-0.2 0.935 109.6 52.4 -67.8 -41.7 -5.3 -19.9 -37.8 86 93 A R H 3<5S+ 0 0 142 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.806 104.6 57.5 -62.8 -27.4 -4.7 -17.0 -40.3 87 94 A A T 3<5S- 0 0 44 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.328 124.8-106.9 -79.7 6.4 -3.8 -19.6 -42.9 88 95 A G T < 5S+ 0 0 42 -3,-2.3 2,-0.4 1,-0.3 -3,-0.2 0.661 74.6 135.9 79.3 19.4 -7.2 -21.2 -42.3 89 96 A K < - 0 0 21 -5,-2.2 -22,-0.3 -6,-0.1 -1,-0.3 -0.814 54.6-127.0-105.9 135.7 -6.1 -24.3 -40.4 90 97 A H E -d 67 0A 32 -24,-2.0 -22,-2.8 -2,-0.4 2,-0.4 -0.478 34.5-139.5 -63.5 158.8 -7.8 -25.6 -37.3 91 98 A V E -de 68 118A 0 26,-2.8 28,-2.4 -24,-0.2 2,-0.6 -0.989 25.5-166.9-139.6 130.2 -5.2 -26.1 -34.5 92 99 A L E -de 69 119A 2 -24,-2.0 -22,-2.7 -2,-0.4 2,-0.4 -0.987 28.4-170.1-104.7 110.5 -4.5 -28.7 -31.8 93 100 A A E -de 70 120A 0 26,-2.7 28,-3.0 -2,-0.6 4,-0.1 -0.852 19.4-120.6-108.2 139.2 -2.0 -26.8 -29.6 94 101 A E - 0 0 6 -24,-2.3 28,-0.1 -2,-0.4 -22,-0.1 -0.323 51.8 -58.1 -71.4 163.2 -0.1 -28.5 -26.8 95 102 A K S S+ 0 0 17 26,-0.4 -1,-0.1 1,-0.2 -21,-0.1 -0.445 120.1 49.1 -74.3 154.6 -0.5 -27.3 -23.2 96 103 A P S S- 0 0 6 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.624 78.1-154.3 -79.1 142.6 0.0 -24.9 -22.1 97 104 A L S S- 0 0 3 -4,-0.1 2,-0.2 200,-0.1 -3,-0.1 0.881 73.8 -28.4 -39.9 -58.4 -2.0 -23.3 -24.9 98 105 A T S S- 0 0 8 -21,-0.1 -23,-0.1 -5,-0.1 -24,-0.1 -0.805 70.7 -90.3-147.5-158.2 -0.0 -20.1 -24.4 99 106 A T S S+ 0 0 34 -2,-0.2 2,-0.3 -25,-0.2 -24,-0.1 0.572 96.0 6.8-101.1 -14.4 1.9 -18.2 -21.8 100 107 A D S > S- 0 0 39 1,-0.1 4,-2.1 204,-0.0 5,-0.2 -0.992 72.2-102.3-159.2 170.0 -0.9 -16.0 -20.4 101 108 A R H > S+ 0 0 64 200,-0.4 4,-2.7 -2,-0.3 5,-0.2 0.951 113.2 52.4 -67.0 -49.6 -4.6 -15.2 -20.4 102 109 A P H > S+ 0 0 60 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.925 112.6 47.9 -50.2 -48.1 -4.7 -12.0 -22.6 103 110 A Q H > S+ 0 0 51 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.884 109.6 52.0 -59.4 -44.3 -2.7 -13.9 -25.3 104 111 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.909 108.8 51.1 -56.9 -43.5 -5.0 -16.9 -25.0 105 112 A E H X S+ 0 0 91 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.910 108.2 52.4 -63.1 -38.5 -8.0 -14.6 -25.5 106 113 A R H X S+ 0 0 136 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.911 110.0 49.1 -62.9 -39.5 -6.3 -13.0 -28.6 107 114 A L H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.938 111.1 47.6 -68.5 -46.0 -5.8 -16.5 -30.1 108 115 A F H X S+ 0 0 22 -4,-2.4 4,-3.2 2,-0.2 -1,-0.2 0.881 109.5 55.1 -59.9 -35.1 -9.4 -17.6 -29.5 109 116 A A H X S+ 0 0 30 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.925 109.0 47.4 -65.5 -41.8 -10.7 -14.3 -31.1 110 117 A V H X S+ 0 0 16 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.903 114.9 45.2 -63.5 -40.7 -8.6 -15.0 -34.2 111 118 A A H ><>S+ 0 0 3 -4,-2.3 5,-2.3 2,-0.2 3,-1.4 0.940 112.3 53.7 -66.5 -43.6 -10.0 -18.6 -34.4 112 119 A R H ><5S+ 0 0 169 -4,-3.2 3,-2.0 1,-0.3 -2,-0.2 0.933 102.2 55.7 -61.1 -47.1 -13.5 -17.3 -33.7 113 120 A E H 3<5S+ 0 0 153 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.705 115.4 41.2 -55.2 -23.5 -13.5 -14.8 -36.5 114 121 A R T <<5S- 0 0 96 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.339 109.6-117.6-108.2 2.5 -12.7 -17.7 -38.9 115 122 A G T < 5 + 0 0 50 -3,-2.0 2,-0.3 -4,-0.5 -3,-0.2 0.770 67.0 147.2 64.6 21.7 -15.0 -20.3 -37.4 116 123 A L < - 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