==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-MAY-13 4KOA . COMPND 2 MOLECULE: 1,5-ANHYDRO-D-FRUCTOSE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR M.SCHU,A.FAUST,B.STOSIK,G.-W.KOHRING,F.GIFFHORN,A.J.SCHEIDIG . 333 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15182.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 15.6 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 . 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 . 28 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.3 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 2 0 1 0 0 2 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 1 0 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 . 2 1 0 1 2 1 1 0 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 0 1 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 1 A M 0 0 169 0, 0.0 2,-0.4 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 147.4 29.1 34.6 -27.3 2 2 A I - 0 0 37 23,-0.2 25,-1.8 19,-0.1 2,-0.5 -0.667 360.0-146.0 -68.5 127.7 25.8 33.2 -25.9 3 3 A R E -a 27 0A 81 -2,-0.4 62,-3.0 23,-0.2 63,-1.8 -0.873 11.7-155.9-109.9 126.5 24.9 35.7 -23.2 4 4 A W E -ab 28 66A 0 23,-3.3 25,-2.4 -2,-0.5 26,-1.1 -0.832 8.2-156.8-106.9 141.9 23.2 34.5 -20.1 5 5 A G E -ab 30 67A 0 61,-2.9 63,-2.4 -2,-0.4 2,-0.5 -0.940 18.3-137.8-108.7 138.4 20.9 36.2 -17.6 6 6 A L E -ab 31 68A 0 24,-2.6 26,-3.0 -2,-0.4 2,-0.6 -0.812 9.7-162.8 -97.6 131.6 20.6 34.9 -14.1 7 7 A I E S+ab 32 69A 0 61,-3.0 63,-2.6 -2,-0.5 64,-0.3 -0.964 76.4 29.9-108.5 109.3 17.4 34.6 -12.3 8 8 A G S S- 0 0 8 24,-2.5 2,-1.6 -2,-0.6 25,-0.2 0.450 73.8-130.4 106.1 114.7 18.4 34.2 -8.6 9 9 A A + 0 0 24 22,-0.1 2,-0.1 -3,-0.1 -1,-0.1 -0.643 57.1 166.2 -90.4 80.1 21.6 35.6 -7.1 10 10 A S > - 0 0 20 -2,-1.6 4,-1.7 1,-0.1 5,-0.1 -0.436 55.2-121.5-105.4 164.2 22.4 32.2 -5.7 11 11 A T H > S+ 0 0 75 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.838 114.2 55.2 -74.1 -30.0 25.3 30.3 -4.1 12 12 A I H >>S+ 0 0 30 2,-0.2 4,-2.6 1,-0.2 5,-2.0 0.930 108.4 47.7 -67.9 -40.0 25.1 27.6 -6.8 13 13 A A H 4>S+ 0 0 0 3,-0.2 5,-2.8 4,-0.2 6,-0.4 0.905 117.6 43.9 -63.1 -39.3 25.5 30.3 -9.6 14 14 A R H <5S+ 0 0 99 -4,-1.7 5,-0.3 3,-0.2 -2,-0.2 0.948 119.8 39.1 -69.0 -49.6 28.4 31.8 -7.6 15 15 A E H <5S- 0 0 106 -4,-3.1 -2,-0.2 -5,-0.1 -3,-0.2 0.830 139.3 -6.2 -70.3 -36.0 30.1 28.5 -6.7 16 16 A W T X5S+ 0 0 46 -4,-2.6 4,-1.7 -5,-0.3 -3,-0.2 0.722 119.1 54.7-128.7 -54.0 29.6 26.7 -10.0 17 17 A V H > S+ 0 0 43 -6,-0.4 4,-3.0 -5,-0.3 -1,-0.2 0.894 113.1 53.1 -65.4 -36.3 32.4 30.1 -14.0 20 20 A A H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 6,-0.2 0.933 107.0 51.1 -65.4 -43.2 31.0 27.2 -16.0 21 21 A I H <>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 -1,-0.2 0.943 114.3 43.9 -57.9 -48.9 29.2 29.5 -18.4 22 22 A R H ><5S+ 0 0 85 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.896 111.1 54.0 -64.4 -41.1 32.4 31.5 -19.0 23 23 A A H 3<5S+ 0 0 60 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.852 107.6 52.0 -59.6 -35.0 34.5 28.3 -19.3 24 24 A A T 3<5S- 0 0 31 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.254 128.0 -97.4 -92.8 9.2 32.2 27.1 -22.0 25 25 A G T < 5S+ 0 0 31 -3,-1.6 -23,-0.2 1,-0.3 -3,-0.2 0.509 87.4 111.3 100.0 5.8 32.5 30.3 -24.0 26 26 A G < - 0 0 2 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.3 -0.287 54.4-136.0 -97.8-170.9 29.4 32.2 -22.9 27 27 A E E -a 3 0A 69 -25,-1.8 -23,-3.3 -2,-0.1 2,-0.7 -0.988 9.3-131.9-149.0 147.2 29.1 35.3 -20.7 28 28 A V E +a 4 0A 3 -2,-0.3 21,-0.5 -25,-0.2 -23,-0.2 -0.918 29.9 170.5-105.3 114.7 26.9 36.3 -17.9 29 29 A V E + 0 0 32 -25,-2.4 21,-0.8 -2,-0.7 2,-0.3 0.652 56.8 15.5-105.0 -18.3 25.5 39.8 -18.6 30 30 A S E -ac 5 50A 0 -26,-1.1 -24,-2.6 19,-0.2 2,-0.4 -0.994 53.1-155.2-157.1 154.5 22.9 40.3 -16.0 31 31 A V E -ac 6 51A 0 19,-1.6 21,-2.9 -2,-0.3 2,-0.5 -0.997 9.3-152.6-137.6 130.4 21.5 39.1 -12.7 32 32 A M E +ac 7 52A 18 -26,-3.0 -24,-2.5 -2,-0.4 2,-0.3 -0.887 20.5 168.3-102.3 128.4 18.0 39.4 -11.3 33 33 A S - 0 0 4 19,-2.1 6,-0.1 -2,-0.5 7,-0.1 -0.979 42.7-127.5-133.6 143.4 17.5 39.4 -7.6 34 34 A S S S+ 0 0 96 -2,-0.3 2,-0.5 1,-0.1 19,-0.1 0.747 100.2 64.3 -60.8 -23.4 14.3 40.4 -5.7 35 35 A S S > S- 0 0 33 1,-0.1 4,-2.6 17,-0.1 5,-0.2 -0.900 71.0-154.4-107.0 126.8 16.6 42.7 -3.7 36 36 A A H > S+ 0 0 40 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.900 98.1 48.0 -58.7 -42.8 18.3 45.7 -5.4 37 37 A E H > S+ 0 0 141 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.929 113.0 45.6 -68.1 -48.1 21.1 45.7 -2.8 38 38 A R H > S+ 0 0 137 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.954 113.9 50.5 -59.0 -49.0 21.8 42.0 -2.9 39 39 A G H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.927 112.2 46.1 -58.4 -46.7 21.7 42.0 -6.8 40 40 A E H X S+ 0 0 115 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.946 114.6 46.6 -58.8 -50.5 24.2 44.9 -7.1 41 41 A A H X S+ 0 0 64 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.921 115.2 47.7 -58.3 -43.3 26.6 43.5 -4.5 42 42 A Y H X S+ 0 0 24 -4,-2.9 4,-2.2 -5,-0.3 -2,-0.2 0.940 110.3 51.7 -66.1 -43.3 26.4 40.1 -6.2 43 43 A A H <>S+ 0 0 6 -4,-3.1 5,-2.6 -5,-0.2 4,-0.4 0.959 112.7 45.2 -56.7 -50.7 26.9 41.6 -9.6 44 44 A A H ><5S+ 0 0 83 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.941 113.5 49.9 -59.1 -44.9 30.1 43.5 -8.4 45 45 A E H 3<5S+ 0 0 142 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.876 117.8 38.5 -68.0 -29.1 31.4 40.5 -6.6 46 46 A N T 3<5S- 0 0 23 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.213 112.0-110.0-109.1 15.2 31.0 38.1 -9.6 47 47 A G T < 5 + 0 0 57 -3,-1.1 2,-0.5 -4,-0.4 -3,-0.2 0.853 63.1 151.8 66.4 38.2 32.0 40.5 -12.4 48 48 A I < - 0 0 10 -5,-2.6 -1,-0.2 -6,-0.2 -19,-0.2 -0.902 41.9-143.7-106.4 130.9 28.5 40.8 -13.9 49 49 A A S S+ 0 0 105 -21,-0.5 2,-0.4 -2,-0.5 -19,-0.2 0.775 76.3 34.9 -66.3 -29.7 27.8 44.1 -15.8 50 50 A K E -c 30 0A 86 -21,-0.8 -19,-1.6 -7,-0.1 2,-0.4 -0.974 53.8-167.4-137.0 140.5 24.2 44.5 -14.7 51 51 A A E +c 31 0A 33 -2,-0.4 2,-0.3 -21,-0.2 -19,-0.2 -0.972 16.2 177.0-119.7 137.5 21.8 43.9 -11.8 52 52 A V E -c 32 0A 17 -21,-2.9 -19,-2.1 -2,-0.4 -17,-0.1 -0.887 27.0-150.6-130.0 169.5 18.0 44.1 -12.1 53 53 A T S S+ 0 0 72 -2,-0.3 2,-0.4 -21,-0.2 -21,-0.1 0.295 74.2 72.3-126.6 11.0 15.1 43.5 -9.8 54 54 A S > - 0 0 40 1,-0.1 4,-0.9 0, 0.0 3,-0.1 -0.987 68.6-140.8-124.7 143.8 12.4 42.4 -12.2 55 55 A V H >> S+ 0 0 28 -2,-0.4 4,-2.8 1,-0.2 3,-0.9 0.917 105.8 55.3 -62.0 -41.9 12.1 39.1 -14.0 56 56 A D H 3> S+ 0 0 82 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.852 103.2 53.2 -65.0 -33.8 10.8 40.9 -17.1 57 57 A D H 34 S+ 0 0 97 2,-0.2 -1,-0.3 3,-0.2 -2,-0.2 0.696 114.9 45.0 -69.1 -21.3 13.9 43.2 -17.2 58 58 A L H X< S+ 0 0 0 -3,-0.9 3,-0.8 -4,-0.9 -2,-0.2 0.929 120.3 34.2 -81.8 -55.4 16.0 40.1 -17.1 59 59 A V H 3< S+ 0 0 1 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.801 119.8 52.4 -74.6 -29.1 14.2 37.9 -19.7 60 60 A G T 3< S+ 0 0 45 -4,-2.1 -1,-0.2 -5,-0.4 -3,-0.2 0.498 76.3 117.4 -83.5 -5.1 13.3 40.9 -21.8 61 61 A D X - 0 0 20 -3,-0.8 3,-1.8 1,-0.2 -56,-0.0 -0.459 64.0-142.2 -65.2 122.7 16.8 42.3 -22.1 62 62 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.752 98.2 57.8 -60.4 -20.2 17.6 42.2 -25.8 63 63 A D T 3 S+ 0 0 93 -34,-0.0 2,-0.5 2,-0.0 -34,-0.1 0.355 85.8 90.5 -98.3 12.1 21.2 41.2 -25.0 64 64 A V < + 0 0 1 -3,-1.8 -60,-0.2 1,-0.1 3,-0.1 -0.928 44.2 174.0-102.6 127.2 20.2 38.1 -23.0 65 65 A D + 0 0 45 -62,-3.0 24,-1.5 -2,-0.5 2,-0.3 0.739 66.9 19.7 -95.8 -34.7 20.1 34.9 -25.1 66 66 A A E -bd 4 89A 0 -63,-1.8 -61,-2.9 22,-0.2 2,-0.4 -0.953 66.0-141.6-143.7 152.6 19.5 32.3 -22.3 67 67 A V E -bd 5 90A 0 22,-2.7 24,-2.7 -2,-0.3 2,-0.5 -0.963 2.5-159.2-123.6 132.7 18.4 32.3 -18.7 68 68 A Y E -bd 6 91A 0 -63,-2.4 -61,-3.0 -2,-0.4 2,-0.6 -0.959 14.5-159.2-112.6 126.5 19.6 30.2 -15.7 69 69 A I E +bd 7 92A 0 22,-2.1 24,-2.7 -2,-0.5 -61,-0.2 -0.914 30.5 149.3-113.8 119.0 17.1 29.9 -12.9 70 70 A S + 0 0 14 -63,-2.6 -58,-0.2 -2,-0.6 -62,-0.2 -0.028 32.9 126.0-137.5 34.8 18.3 29.0 -9.4 71 71 A T S S- 0 0 24 -64,-0.3 5,-0.1 1,-0.2 -63,-0.0 -0.082 75.9 -52.4 -77.5-177.4 15.7 30.8 -7.2 72 72 A T >> - 0 0 87 1,-0.1 3,-2.0 3,-0.1 4,-0.6 -0.265 63.9-107.3 -60.1 148.2 13.6 29.2 -4.4 73 73 A N G >4 S+ 0 0 38 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.806 114.8 57.8 -52.3 -41.6 11.8 26.1 -5.8 74 74 A E G 34 S+ 0 0 105 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.706 102.6 56.7 -67.2 -18.2 8.3 27.5 -5.9 75 75 A L G <> S+ 0 0 81 -3,-2.0 4,-2.1 1,-0.2 5,-0.3 0.672 85.8 84.4 -83.8 -18.4 9.5 30.4 -8.2 76 76 A H H S+ 0 0 35 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.921 115.5 40.8 -57.7 -52.6 7.8 27.4 -13.0 78 78 A G H > S+ 0 0 43 -4,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.865 115.1 50.1 -69.4 -34.9 6.6 31.0 -13.4 79 79 A Q H X S+ 0 0 20 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.890 110.8 50.8 -69.8 -37.6 10.0 32.5 -14.0 80 80 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.920 108.6 52.7 -63.7 -42.2 10.7 29.8 -16.7 81 81 A L H X S+ 0 0 34 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.890 107.6 51.0 -60.5 -39.9 7.3 30.6 -18.3 82 82 A A H X S+ 0 0 13 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.930 111.0 48.1 -61.4 -46.0 8.3 34.3 -18.5 83 83 A A H <>S+ 0 0 0 -4,-1.9 5,-2.9 1,-0.2 4,-0.2 0.914 112.4 49.2 -58.1 -41.9 11.6 33.5 -20.2 84 84 A I H ><5S+ 0 0 10 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.883 108.1 52.8 -70.1 -35.5 9.9 31.2 -22.6 85 85 A R H 3<5S+ 0 0 187 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.812 108.1 52.3 -67.8 -35.4 7.3 34.0 -23.4 86 86 A A T 3<5S- 0 0 39 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.433 121.0-114.3 -78.4 -2.1 10.3 36.3 -24.1 87 87 A G T < 5 + 0 0 40 -3,-1.1 2,-0.3 1,-0.3 -3,-0.2 0.835 68.5 142.5 71.7 36.4 11.6 33.6 -26.5 88 88 A K < - 0 0 28 -5,-2.9 -1,-0.3 -6,-0.1 -22,-0.2 -0.861 54.2-112.6-110.1 147.0 14.7 32.8 -24.3 89 89 A H E -d 66 0A 34 -24,-1.5 -22,-2.7 -2,-0.3 2,-0.5 -0.424 34.8-147.2 -71.3 151.5 16.3 29.4 -23.7 90 90 A V E -de 67 117A 0 26,-2.5 28,-3.2 -24,-0.2 2,-0.6 -0.981 23.1-175.3-133.4 120.5 16.0 28.2 -20.2 91 91 A L E -de 68 118A 6 -24,-2.7 -22,-2.1 -2,-0.5 2,-0.5 -0.980 24.4-169.4-106.3 117.7 18.3 26.1 -18.0 92 92 A C E -de 69 119A 0 26,-3.0 28,-3.0 -2,-0.6 -22,-0.2 -0.914 20.9-129.1-115.4 124.6 16.4 25.5 -14.8 93 93 A E - 0 0 18 -24,-2.7 28,-0.1 -2,-0.5 -22,-0.1 -0.415 63.1 -51.7 -56.9 143.1 17.8 24.1 -11.6 94 94 A K S S+ 0 0 25 26,-0.3 -1,-0.1 -2,-0.1 2,-0.1 -0.256 113.9 52.2 -56.0 147.4 15.5 21.3 -10.4 95 95 A P - 0 0 18 0, 0.0 3,-0.1 0, 0.0 -19,-0.1 0.654 53.4-169.4 -88.7 160.2 12.6 21.3 -10.0 96 96 A L S S- 0 0 2 211,-0.3 2,-0.3 1,-0.2 -16,-0.2 0.860 77.3 -17.9 -65.4 -37.1 11.0 22.6 -13.1 97 97 A A - 0 0 1 210,-0.2 -1,-0.2 -21,-0.1 3,-0.1 -0.885 60.9-110.3-161.6 176.1 7.7 22.9 -11.2 98 98 A M S S+ 0 0 73 -2,-0.3 2,-0.3 -24,-0.1 -24,-0.1 0.556 98.8 30.5-101.3 -10.6 5.8 21.7 -8.1 99 99 A N S > S- 0 0 64 1,-0.1 4,-1.7 216,-0.0 5,-0.1 -0.961 80.0-114.3-148.4 164.6 3.4 19.5 -10.0 100 100 A L H > S+ 0 0 44 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.838 109.8 57.4 -73.3 -35.4 3.2 17.5 -13.1 101 101 A N H > S+ 0 0 125 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.950 110.8 45.4 -56.9 -48.7 0.7 19.5 -15.0 102 102 A D H > S+ 0 0 37 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.839 112.8 50.3 -64.9 -35.8 2.9 22.5 -14.7 103 103 A G H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.943 112.0 47.0 -70.6 -42.3 6.0 20.6 -15.7 104 104 A C H X S+ 0 0 18 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.885 109.2 55.5 -64.7 -34.9 4.4 19.2 -18.7 105 105 A E H X S+ 0 0 56 -4,-2.1 4,-2.9 -5,-0.3 -1,-0.2 0.899 105.7 52.2 -64.7 -41.9 3.1 22.6 -19.6 106 106 A M H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.915 107.8 50.4 -56.9 -48.5 6.6 24.0 -19.6 107 107 A V H X S+ 0 0 13 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.913 113.5 46.0 -60.0 -45.2 8.0 21.4 -21.9 108 108 A L H X S+ 0 0 102 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.945 113.3 48.3 -62.6 -50.4 5.1 22.0 -24.4 109 109 A K H X S+ 0 0 83 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.898 111.8 49.5 -62.1 -39.4 5.4 25.8 -24.2 110 110 A A H X>S+ 0 0 3 -4,-2.8 5,-2.2 2,-0.2 4,-0.7 0.893 112.5 48.1 -62.4 -41.9 9.2 25.7 -24.7 111 111 A C H ><5S+ 0 0 99 -4,-2.0 3,-0.9 -5,-0.3 -2,-0.2 0.944 113.9 46.5 -63.4 -45.9 8.7 23.4 -27.7 112 112 A E H 3<5S+ 0 0 152 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.828 111.8 52.0 -65.0 -32.4 6.0 25.8 -29.0 113 113 A A H 3<5S- 0 0 45 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.619 109.3-124.5 -73.6 -18.5 8.3 28.8 -28.4 114 114 A G T <<5 + 0 0 64 -3,-0.9 2,-0.3 -4,-0.7 -3,-0.2 0.776 66.8 130.7 75.4 24.9 11.2 27.1 -30.3 115 115 A V < - 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