==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-JUL-10 3NT4 . COMPND 2 MOLECULE: INOSITOL 2-DEHYDROGENASE/D-CHIRO-INOSITOL 3-DEHYD . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR K.E.VAN STRAATEN,D.R.J.PALMER,D.A.R.SANDERS . 674 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29935.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 499 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 10.8 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 63 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.1 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 4 1 1 0 0 0 3 5 3 1 0 0 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 4 0 2 2 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 1 5 0 0 4 0 2 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 . 2 0 0 0 2 2 0 0 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 0 223 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.3 -40.4 -28.7 4.0 2 2 A S - 0 0 38 1,-0.1 2,-0.4 26,-0.1 26,-0.3 -0.350 360.0-101.3 -90.3 157.8 -42.7 -26.2 5.7 3 3 A L E -a 28 0A 8 24,-2.3 26,-2.4 -2,-0.1 2,-0.7 -0.591 35.5-136.2 -74.4 126.5 -43.1 -25.0 9.3 4 4 A R E -a 29 0A 86 -2,-0.4 64,-2.5 24,-0.2 65,-1.2 -0.774 25.8-164.3 -96.0 114.1 -46.2 -26.6 10.9 5 5 A I E -ab 30 69A 0 24,-3.4 26,-1.8 -2,-0.7 27,-1.2 -0.817 15.4-158.3-113.7 131.6 -48.2 -24.1 12.8 6 6 A G E -ab 32 70A 0 63,-2.6 65,-2.4 -2,-0.4 2,-0.7 -0.903 14.2-147.3-105.0 131.7 -50.9 -24.4 15.4 7 7 A V E -ab 33 71A 0 25,-2.7 27,-1.3 -2,-0.5 2,-0.8 -0.864 6.7-164.4-104.9 112.8 -53.2 -21.5 16.0 8 8 A I E S+ab 34 72A 9 63,-2.6 65,-2.7 -2,-0.7 27,-0.2 -0.832 74.4 26.1 -93.9 107.1 -54.6 -20.9 19.6 9 9 A G - 0 0 1 25,-2.6 2,-0.3 -2,-0.8 26,-0.2 0.615 64.4-158.6 103.9 98.1 -57.5 -18.5 19.2 10 10 A T + 0 0 5 4,-0.1 64,-0.1 24,-0.1 34,-0.1 -0.340 47.4 122.4-107.6 51.2 -59.4 -18.5 15.9 11 11 A G S > S- 0 0 34 62,-0.6 4,-2.1 -2,-0.3 5,-0.2 0.129 83.1 -59.8 -87.8-153.2 -61.1 -15.1 16.1 12 12 A A H > S+ 0 0 79 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.908 137.4 37.2 -62.5 -45.3 -60.8 -12.1 13.7 13 13 A I H > S+ 0 0 54 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.861 115.1 53.9 -77.2 -36.2 -57.0 -11.7 14.0 14 14 A G H > S+ 0 0 0 59,-0.4 4,-1.8 1,-0.2 -2,-0.2 0.875 108.8 51.6 -62.9 -36.6 -56.3 -15.4 14.3 15 15 A K H X S+ 0 0 67 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.877 107.1 51.5 -68.0 -39.8 -58.2 -15.8 11.0 16 16 A E H X S+ 0 0 81 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.884 111.4 47.2 -65.2 -38.6 -56.2 -13.1 9.3 17 17 A H H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.848 112.1 50.9 -68.4 -34.2 -53.0 -14.8 10.3 18 18 A I H X S+ 0 0 0 -4,-1.8 4,-1.1 -5,-0.2 -2,-0.2 0.906 111.4 48.9 -67.3 -41.1 -54.4 -18.1 9.1 19 19 A N H X S+ 0 0 36 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.896 113.0 44.4 -65.9 -44.3 -55.3 -16.5 5.8 20 20 A R H X>S+ 0 0 11 -4,-2.2 5,-3.3 1,-0.2 4,-2.0 0.928 113.5 50.2 -69.9 -43.0 -52.0 -14.9 5.1 21 21 A I H <5S+ 0 0 6 -4,-2.0 7,-0.3 -5,-0.2 -1,-0.2 0.778 119.9 39.6 -61.7 -25.6 -50.0 -18.0 6.2 22 22 A T H <5S+ 0 0 52 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.846 131.7 16.8 -94.8 -37.1 -52.2 -20.0 3.9 23 23 A N H <5S+ 0 0 104 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.343 131.6 26.9-123.8 4.6 -52.7 -17.8 0.8 24 24 A K T <5S+ 0 0 118 -4,-2.0 -3,-0.2 -5,-0.2 -4,-0.1 0.622 102.8 60.1-135.0 -46.8 -50.0 -15.2 0.8 25 25 A L S > S- 0 0 81 1,-0.2 3,-1.5 -3,-0.1 4,-1.3 -0.711 79.7-175.2 -97.1 78.3 -65.7 -21.6 20.8 38 38 A Q H 3> S+ 0 0 74 -2,-1.0 4,-1.5 -3,-0.3 -1,-0.2 0.766 79.8 59.1 -49.4 -31.8 -64.7 -25.0 19.5 39 39 A E H 3> S+ 0 0 119 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.921 102.9 52.1 -62.4 -43.0 -67.5 -24.9 16.9 40 40 A A H <> S+ 0 0 23 -3,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.835 105.9 54.8 -63.7 -33.9 -66.0 -21.6 15.5 41 41 A A H X S+ 0 0 0 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.877 104.9 53.7 -64.0 -39.6 -62.6 -23.3 15.1 42 42 A Q H X S+ 0 0 94 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.870 107.3 51.2 -64.6 -37.2 -64.2 -26.1 13.1 43 43 A K H X S+ 0 0 92 -4,-1.6 4,-4.0 2,-0.2 5,-0.2 0.908 104.9 55.8 -67.4 -42.7 -65.7 -23.6 10.7 44 44 A V H X S+ 0 0 4 -4,-1.8 4,-3.1 1,-0.2 6,-0.3 0.938 105.2 53.1 -53.2 -49.8 -62.3 -21.8 10.2 45 45 A V H <>S+ 0 0 22 -4,-1.8 5,-2.0 2,-0.2 -1,-0.2 0.866 115.6 39.8 -54.8 -41.2 -60.8 -25.2 9.1 46 46 A E H ><5S+ 0 0 149 -4,-1.4 3,-1.6 3,-0.2 -2,-0.2 0.942 113.2 54.9 -72.1 -49.4 -63.5 -25.6 6.5 47 47 A Q H 3<5S+ 0 0 111 -4,-4.0 -2,-0.2 1,-0.3 -3,-0.2 0.883 119.7 32.7 -48.3 -44.4 -63.5 -21.9 5.5 48 48 A Y T 3<5S- 0 0 38 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.242 104.6-124.1-104.0 13.2 -59.8 -22.1 4.8 49 49 A Q T < 5 + 0 0 156 -3,-1.6 -3,-0.2 -5,-0.2 -4,-0.1 0.821 48.9 177.1 52.1 35.8 -59.6 -25.7 3.6 50 50 A L < - 0 0 18 -5,-2.0 2,-0.4 -6,-0.3 -1,-0.1 -0.226 39.2-139.9 -71.3 158.1 -57.0 -26.5 6.2 51 51 A N + 0 0 145 -21,-0.6 2,-0.3 2,-0.0 -1,-0.1 -0.602 61.4 132.9-105.3 64.8 -55.5 -29.9 6.8 52 52 A A - 0 0 23 -2,-0.4 2,-0.3 -7,-0.1 -20,-0.3 -0.863 59.2-120.3-126.5 152.7 -55.5 -29.4 10.6 53 53 A T E -c 32 0A 62 -22,-2.8 -20,-2.6 -2,-0.3 2,-0.8 -0.678 23.3-140.8 -82.1 138.8 -56.5 -31.1 13.8 54 54 A V E -c 33 0A 37 -2,-0.3 -20,-0.2 -22,-0.2 -12,-0.1 -0.795 24.3-168.6-104.6 91.7 -59.2 -29.3 15.9 55 55 A Y - 0 0 42 -22,-1.9 -20,-0.5 -2,-0.8 3,-0.1 -0.312 27.5-130.4 -75.8 160.8 -58.2 -29.7 19.6 56 56 A P S S- 0 0 75 0, 0.0 2,-0.3 0, 0.0 -18,-0.1 0.687 84.9 -2.8 -83.0 -20.9 -60.4 -28.9 22.6 57 57 A N S > S- 0 0 61 -24,-0.1 4,-2.2 1,-0.0 5,-0.2 -0.971 76.6 -92.6-161.5 174.1 -57.7 -26.8 24.2 58 58 A D H > S+ 0 0 21 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.783 117.8 58.2 -66.7 -29.8 -54.1 -25.5 24.1 59 59 A D H > S+ 0 0 86 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.930 109.7 44.2 -64.1 -46.3 -52.7 -28.4 26.2 60 60 A S H > S+ 0 0 33 2,-0.2 4,-1.2 1,-0.2 3,-0.4 0.944 116.0 46.8 -61.5 -50.2 -54.0 -30.9 23.7 61 61 A L H >< S+ 0 0 0 -4,-2.2 3,-0.5 1,-0.3 -2,-0.2 0.900 111.8 49.6 -63.3 -43.0 -52.7 -28.9 20.8 62 62 A L H 3< S+ 0 0 10 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.734 104.1 62.4 -67.3 -22.1 -49.3 -28.3 22.3 63 63 A A H 3< S+ 0 0 70 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.843 79.9 99.0 -71.2 -33.8 -49.2 -32.1 23.0 64 64 A D X< - 0 0 23 -4,-1.2 3,-0.7 -3,-0.5 -32,-0.0 -0.362 62.2-158.4 -57.7 123.6 -49.3 -32.8 19.2 65 65 A E T 3 S+ 0 0 176 1,-0.2 -1,-0.2 -2,-0.1 -4,-0.0 0.745 83.5 68.2 -79.7 -25.1 -45.7 -33.4 18.1 66 66 A N T 3 S+ 0 0 60 -35,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.491 87.4 79.7 -78.3 -1.1 -46.3 -32.6 14.4 67 67 A V < + 0 0 1 -3,-0.7 -62,-0.2 -6,-0.2 3,-0.1 -0.906 52.0 172.3-100.6 135.1 -46.8 -29.0 15.4 68 68 A D + 0 0 49 -64,-2.5 24,-1.6 -2,-0.4 2,-0.3 0.414 63.5 28.3-124.0 -2.2 -43.6 -27.1 16.0 69 69 A A E -bd 5 92A 0 -65,-1.2 -63,-2.6 22,-0.2 2,-0.3 -0.967 65.3-156.0-158.2 146.4 -44.7 -23.5 16.4 70 70 A V E -bd 6 93A 0 22,-3.6 24,-2.6 -2,-0.3 2,-0.6 -0.929 13.4-140.5-130.2 150.2 -47.9 -21.8 17.5 71 71 A L E -bd 7 94A 0 -65,-2.4 -63,-2.6 -2,-0.3 2,-1.0 -0.938 14.6-154.6-105.3 115.0 -49.8 -18.5 17.1 72 72 A V E +bd 8 95A 0 22,-2.3 24,-1.9 -2,-0.6 -63,-0.2 -0.774 36.9 144.8 -90.0 99.3 -51.4 -17.2 20.3 73 73 A T + 0 0 6 -65,-2.7 -62,-0.6 -2,-1.0 -59,-0.4 -0.255 29.3 118.5-130.7 45.5 -54.2 -15.0 19.1 74 74 A S S S- 0 0 29 1,-0.2 5,-0.1 -66,-0.1 -65,-0.1 -0.236 76.1 -40.8-100.7-170.5 -57.0 -15.5 21.6 75 75 A W >> - 0 0 204 1,-0.1 3,-3.3 -2,-0.1 4,-0.8 -0.345 67.4-113.6 -54.8 125.4 -58.9 -13.3 24.0 76 76 A G G >4 S+ 0 0 21 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.739 112.7 50.9 -30.6 -58.9 -56.3 -10.9 25.5 77 77 A P G 34 S+ 0 0 67 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.639 106.1 58.7 -61.4 -16.2 -56.4 -12.1 29.1 78 78 A A G X> S+ 0 0 38 -3,-3.3 4,-1.3 1,-0.1 3,-0.9 0.747 83.1 84.3 -85.0 -26.9 -55.9 -15.7 27.9 79 79 A H H S+ 0 0 29 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.808 104.9 52.9 -39.5 -46.0 -50.4 -15.4 29.2 81 81 A S H <> S+ 0 0 52 -3,-0.9 4,-1.9 -4,-0.3 -1,-0.2 0.955 110.8 43.5 -60.1 -55.0 -51.6 -18.9 29.9 82 82 A S H X S+ 0 0 6 -4,-1.3 4,-3.1 -3,-0.4 -1,-0.2 0.862 109.7 57.5 -61.1 -39.3 -51.0 -20.4 26.5 83 83 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.898 107.0 48.1 -60.3 -43.0 -47.5 -18.7 26.2 84 84 A L H X S+ 0 0 29 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.929 113.5 47.3 -62.4 -46.9 -46.3 -20.4 29.4 85 85 A K H X S+ 0 0 58 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.943 110.7 51.9 -59.6 -48.7 -47.6 -23.8 28.3 86 86 A A H <>S+ 0 0 0 -4,-3.1 5,-2.7 1,-0.2 -1,-0.2 0.866 108.6 51.5 -57.8 -39.8 -46.0 -23.4 24.8 87 87 A I H ><5S+ 0 0 0 -4,-2.0 3,-1.0 3,-0.2 -1,-0.2 0.928 111.5 45.7 -63.6 -46.5 -42.7 -22.5 26.4 88 88 A K H 3<5S+ 0 0 130 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.806 110.3 53.5 -69.3 -29.9 -42.7 -25.6 28.6 89 89 A A T 3<5S- 0 0 39 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.521 115.3-126.7 -76.3 -6.0 -43.8 -27.7 25.6 90 90 A Q T < 5 + 0 0 141 -3,-1.0 2,-0.3 -5,-0.2 -3,-0.2 0.872 59.1 142.2 61.5 42.8 -40.7 -26.2 24.0 91 91 A K < - 0 0 23 -5,-2.7 2,-0.3 -6,-0.1 -22,-0.2 -0.740 57.5-102.1-106.2 158.3 -42.6 -24.8 20.9 92 92 A Y E -d 69 0A 35 -24,-1.6 -22,-3.6 -2,-0.3 2,-0.4 -0.620 41.8-159.9 -76.3 139.1 -42.0 -21.6 19.0 93 93 A V E -de 70 121A 0 27,-3.2 29,-2.4 -2,-0.3 2,-0.6 -0.977 21.8-168.0-132.3 126.9 -44.7 -19.0 19.9 94 94 A F E -de 71 122A 0 -24,-2.6 -22,-2.3 -2,-0.4 2,-0.6 -0.939 21.9-168.2-104.8 110.0 -45.9 -15.8 18.2 95 95 A C E -de 72 123A 0 27,-2.2 29,-2.6 -2,-0.6 -22,-0.2 -0.879 14.0-141.0-108.6 118.7 -48.0 -13.9 20.7 96 96 A E - 0 0 14 -24,-1.9 -22,-0.1 -2,-0.6 29,-0.1 -0.298 54.8 -48.2 -60.3 155.5 -50.2 -11.0 19.7 97 97 A K S S+ 0 0 50 27,-0.3 -1,-0.1 2,-0.1 2,-0.1 -0.480 115.6 52.9 -70.7 144.5 -50.3 -8.1 22.2 98 98 A P - 0 0 31 0, 0.0 3,-0.2 0, 0.0 -19,-0.1 0.565 57.8-168.5 -82.1 155.8 -50.7 -8.2 25.1 99 99 A L S S- 0 0 6 1,-0.4 2,-0.3 206,-0.2 -16,-0.2 0.861 84.6 -19.9 -66.1 -36.3 -48.0 -10.8 26.1 100 100 A A - 0 0 6 205,-0.2 -1,-0.4 -21,-0.1 6,-0.1 -0.942 61.8-120.8-166.0 154.3 -49.8 -10.7 29.4 101 101 A T S S+ 0 0 78 -2,-0.3 2,-0.3 -24,-0.2 3,-0.0 0.679 95.0 49.1 -77.5 -16.2 -52.2 -8.2 31.2 102 102 A T S > S- 0 0 51 1,-0.1 4,-1.8 -3,-0.0 5,-0.1 -0.894 79.2-125.6-125.2 153.6 -49.8 -7.8 34.2 103 103 A A H > S+ 0 0 12 -2,-0.3 4,-2.1 206,-0.2 207,-0.1 0.866 116.2 53.3 -60.4 -36.5 -46.1 -7.0 34.6 104 104 A E H > S+ 0 0 114 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 103.5 55.4 -63.4 -46.4 -46.0 -10.1 36.8 105 105 A G H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.892 109.6 47.2 -52.9 -42.9 -47.5 -12.2 34.0 106 106 A C H X S+ 0 0 1 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.901 108.3 54.9 -66.7 -42.1 -44.7 -11.0 31.7 107 107 A M H X S+ 0 0 24 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.894 104.5 53.7 -58.7 -41.9 -42.0 -11.8 34.3 108 108 A R H X S+ 0 0 119 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.885 111.3 47.0 -59.3 -37.6 -43.2 -15.4 34.6 109 109 A I H X S+ 0 0 0 -4,-1.2 4,-1.9 -5,-0.2 -2,-0.2 0.868 112.1 48.3 -74.9 -38.7 -42.9 -15.7 30.9 110 110 A V H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.963 111.9 50.0 -61.4 -51.6 -39.4 -14.1 30.7 111 111 A E H X S+ 0 0 105 -4,-2.9 4,-0.7 1,-0.2 -2,-0.2 0.793 111.0 49.9 -60.8 -30.6 -38.2 -16.3 33.6 112 112 A E H X S+ 0 0 45 -4,-1.4 4,-1.6 -5,-0.2 -1,-0.2 0.881 111.5 48.0 -73.4 -39.1 -39.6 -19.4 31.8 113 113 A E H < S+ 0 0 0 -4,-1.9 4,-0.3 1,-0.2 -2,-0.2 0.897 103.3 59.6 -69.9 -41.1 -37.9 -18.5 28.5 114 114 A I H >< S+ 0 0 59 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.813 106.1 52.5 -57.8 -29.4 -34.5 -17.8 30.1 115 115 A K H 3< S+ 0 0 159 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.974 99.0 59.3 -66.2 -57.4 -34.6 -21.4 31.3 116 116 A V T 3< S- 0 0 42 -4,-1.6 2,-1.3 1,-0.2 -1,-0.2 0.394 105.8-129.3 -63.5 6.0 -35.3 -23.0 27.9 117 117 A G S < S+ 0 0 52 -3,-0.6 2,-0.2 -4,-0.3 -1,-0.2 -0.113 72.2 50.1 84.6 -42.1 -32.1 -21.5 26.7 118 118 A K S S- 0 0 86 -2,-1.3 2,-0.6 -5,-0.1 -2,-0.1 -0.709 91.9 -77.8-127.5 178.5 -33.2 -19.8 23.5 119 119 A R + 0 0 53 -2,-0.2 178,-1.3 1,-0.2 3,-0.1 -0.675 50.1 149.3 -82.2 119.6 -35.8 -17.4 22.0 120 120 A L + 0 0 3 -2,-0.6 -27,-3.2 176,-0.2 2,-0.6 0.550 54.4 80.4-116.5 -23.6 -39.1 -19.0 21.4 121 121 A V E +e 93 0A 1 -29,-0.2 2,-0.4 176,-0.1 181,-0.4 -0.796 47.1 173.1 -98.9 120.2 -41.3 -16.0 22.0 122 122 A Q E -e 94 0A 0 -29,-2.4 -27,-2.2 -2,-0.6 2,-0.3 -0.995 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