==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-AUG-10 3OID . COMPND 2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH]; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR K.-H.KIM,B.H.HA,S.J.KIM,S.K.HONG,K.Y.HWANG,E.E.KIM . 996 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 784 78.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 148 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 66 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 371 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 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 0 0 0 0 0 0 12 8 0 3 4 1 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 4 12 4 0 0 4 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 0 0 0 0 0 0 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 . 0 0 0 0 0 4 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 3 A Q 0 0 154 0, 0.0 2,-0.2 0, 0.0 77,-0.0 0.000 360.0 360.0 360.0-169.1 -24.1 98.8 95.9 2 4 A N - 0 0 104 1,-0.1 25,-0.1 24,-0.0 24,-0.1 -0.609 360.0 -87.7 -95.6 158.7 -21.4 100.6 94.0 3 5 A K - 0 0 112 -2,-0.2 25,-2.7 23,-0.1 2,-0.4 -0.204 41.4-142.3 -60.2 156.5 -19.0 99.1 91.4 4 6 A C E -a 28 0A 0 23,-0.2 78,-2.9 25,-0.0 79,-1.7 -0.951 12.1-164.6-128.5 143.7 -15.7 97.5 92.7 5 7 A A E -ab 29 83A 0 23,-2.9 25,-2.7 -2,-0.4 2,-0.5 -0.987 5.1-158.3-130.7 137.9 -12.2 97.5 91.2 6 8 A L E -ab 30 84A 0 77,-2.6 79,-3.3 -2,-0.4 2,-0.5 -0.943 6.7-174.1-111.8 136.5 -9.2 95.4 91.8 7 9 A V E -ab 31 85A 0 23,-1.9 25,-0.9 -2,-0.5 3,-0.5 -0.984 19.6-139.2-125.7 115.4 -5.7 96.6 90.9 8 10 A T S S+ 0 0 0 77,-2.6 79,-0.2 -2,-0.5 25,-0.1 -0.512 85.8 15.6 -73.6 146.3 -2.9 94.1 91.4 9 11 A G S S+ 0 0 19 -2,-0.2 6,-0.4 78,-0.1 7,-0.3 0.966 79.9 148.8 58.8 56.3 0.4 95.5 92.9 10 12 A S + 0 0 0 22,-2.3 23,-0.1 -3,-0.5 -1,-0.1 0.084 35.6 98.0-112.7 23.8 -1.3 98.7 94.1 11 13 A S S S- 0 0 8 21,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.742 100.2 -9.5 -78.2 -24.8 0.8 99.5 97.2 12 14 A R S >> S+ 0 0 106 -3,-0.3 4,-1.4 31,-0.0 3,-0.5 -0.936 106.9 22.0-154.0 177.4 2.9 102.0 95.2 13 15 A G H 3> S- 0 0 24 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 -0.183 115.9 -11.3 64.8-148.0 3.6 103.3 91.7 14 16 A V H 3> S+ 0 0 19 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.888 136.2 52.9 -55.4 -48.1 1.2 103.0 88.8 15 17 A G H <> S+ 0 0 0 -3,-0.5 4,-2.2 -6,-0.4 -5,-0.2 0.909 108.8 48.7 -58.3 -46.3 -1.1 100.5 90.6 16 18 A K H X S+ 0 0 57 -4,-1.4 4,-2.4 -7,-0.3 -1,-0.2 0.944 113.4 47.0 -58.9 -44.1 -1.5 102.8 93.6 17 19 A A H X S+ 0 0 30 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.894 111.5 51.4 -69.7 -35.4 -2.3 105.8 91.5 18 20 A A H X S+ 0 0 2 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.920 109.1 50.0 -65.9 -42.1 -4.7 103.8 89.4 19 21 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.920 111.8 49.0 -61.9 -40.8 -6.6 102.6 92.5 20 22 A I H X S+ 0 0 26 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.916 109.9 50.9 -65.3 -46.1 -6.8 106.2 93.8 21 23 A R H X S+ 0 0 41 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.930 112.0 47.2 -58.3 -45.9 -8.1 107.4 90.4 22 24 A L H <>S+ 0 0 9 -4,-2.4 5,-2.3 1,-0.2 3,-0.5 0.915 111.4 51.2 -64.0 -38.6 -10.8 104.7 90.4 23 25 A A H ><5S+ 0 0 3 -4,-2.5 3,-2.0 1,-0.2 -1,-0.2 0.887 104.5 56.8 -63.8 -39.7 -11.7 105.5 94.0 24 26 A E H 3<5S+ 0 0 117 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.777 105.2 53.8 -62.4 -24.8 -12.1 109.2 93.0 25 27 A N T 3<5S- 0 0 119 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.286 130.1 -95.0 -93.8 9.2 -14.6 108.0 90.5 26 28 A G T < 5S+ 0 0 36 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.447 76.1 141.0 101.6 1.3 -16.7 106.2 93.2 27 29 A Y < - 0 0 23 -5,-2.3 -1,-0.3 -6,-0.1 -23,-0.2 -0.596 51.6-128.3 -74.1 136.7 -15.3 102.6 92.9 28 30 A N E -a 4 0A 7 -25,-2.7 -23,-2.9 -2,-0.3 2,-0.4 -0.562 38.3-137.5 -67.6 150.9 -14.8 100.4 96.0 29 31 A I E -ac 5 54A 0 24,-2.3 26,-2.8 -25,-0.2 2,-0.6 -0.923 22.8-156.0-126.4 139.6 -11.2 99.2 95.8 30 32 A V E -ac 6 55A 0 -25,-2.7 -23,-1.9 -2,-0.4 2,-0.4 -0.961 21.0-158.9-107.3 116.6 -9.2 96.0 96.4 31 33 A I E -ac 7 56A 0 24,-2.6 26,-3.0 -2,-0.6 2,-0.4 -0.814 11.5-169.3 -89.5 138.1 -5.6 96.8 97.1 32 34 A N E + c 0 57A 3 -25,-0.9 -22,-2.3 -2,-0.4 -21,-0.5 -0.956 14.0 156.0-131.7 146.9 -3.1 94.0 96.5 33 35 A Y E - c 0 58A 14 24,-1.4 26,-2.4 -2,-0.4 4,-0.0 -0.956 32.7-146.0-154.9 173.3 0.5 93.5 97.3 34 36 A A S S- 0 0 53 -2,-0.3 26,-0.1 24,-0.2 -1,-0.1 0.769 90.3 -16.3-111.7 -43.3 3.1 90.8 98.0 35 37 A R S S+ 0 0 228 24,-0.1 2,-2.1 1,-0.1 3,-0.3 0.589 108.2 88.5-133.7 -27.6 5.4 92.2 100.6 36 38 A S > + 0 0 31 1,-0.2 4,-2.2 2,-0.1 5,-0.2 -0.423 46.7 155.9 -84.8 64.4 5.1 96.0 101.0 37 39 A K H > + 0 0 117 -2,-2.1 4,-2.6 2,-0.2 5,-0.2 0.899 66.4 54.3 -62.4 -42.0 2.3 95.8 103.6 38 40 A K H > S+ 0 0 150 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.955 110.2 45.7 -62.9 -44.3 2.9 99.1 105.2 39 41 A A H > S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.893 112.3 53.4 -61.2 -38.4 2.6 101.0 101.9 40 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.910 110.5 45.5 -62.3 -44.5 -0.5 98.9 101.1 41 43 A L H X S+ 0 0 89 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.902 113.2 51.0 -69.7 -34.3 -2.2 99.9 104.5 42 44 A E H X S+ 0 0 95 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.901 109.9 49.1 -67.5 -40.3 -1.2 103.6 103.9 43 45 A T H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.888 110.4 51.8 -62.9 -43.5 -2.7 103.6 100.4 44 46 A A H X S+ 0 0 6 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.900 108.6 50.5 -59.7 -43.9 -5.9 102.0 101.8 45 47 A E H X S+ 0 0 122 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.919 110.3 49.8 -62.2 -44.7 -6.1 104.8 104.4 46 48 A E H < S+ 0 0 91 -4,-2.4 3,-0.5 1,-0.2 4,-0.3 0.913 112.8 46.8 -53.1 -47.8 -5.7 107.5 101.8 47 49 A I H ><>S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.2 5,-0.7 0.879 102.6 62.5 -71.1 -32.9 -8.4 106.0 99.6 48 50 A E H ><5S+ 0 0 106 -4,-2.3 3,-2.2 1,-0.3 -1,-0.2 0.818 88.9 71.7 -64.5 -22.2 -10.9 105.5 102.5 49 51 A K T 3<5S+ 0 0 172 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.777 88.8 64.0 -60.1 -26.5 -10.8 109.3 102.9 50 52 A L T < 5S- 0 0 83 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.418 118.6-109.8 -78.6 -0.5 -12.8 109.3 99.6 51 53 A G T < 5S+ 0 0 70 -3,-2.2 2,-0.2 1,-0.3 -3,-0.1 0.674 78.1 121.1 85.1 15.3 -15.7 107.5 101.2 52 54 A V < - 0 0 17 -5,-0.7 -1,-0.3 -25,-0.1 2,-0.3 -0.725 65.4-106.7-105.3 168.2 -15.3 104.2 99.4 53 55 A K - 0 0 139 -2,-0.2 -24,-2.3 -3,-0.1 2,-0.4 -0.661 33.2-162.4 -93.7 144.0 -14.7 100.8 100.9 54 56 A V E -c 29 0A 24 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.992 10.4-165.3-130.8 133.0 -11.3 99.2 100.5 55 57 A L E -c 30 0A 26 -26,-2.8 -24,-2.6 -2,-0.4 2,-0.5 -0.981 11.9-154.3-111.5 130.8 -10.2 95.6 100.9 56 58 A V E -c 31 0A 40 -2,-0.4 2,-0.5 -26,-0.2 -24,-0.2 -0.944 15.3-176.4-109.9 124.5 -6.4 94.9 101.3 57 59 A V E -c 32 0A 2 -26,-3.0 -24,-1.4 -2,-0.5 2,-0.6 -0.975 21.5-148.4-127.8 119.2 -5.3 91.5 100.2 58 60 A K E +c 33 0A 132 -2,-0.5 2,-0.3 -26,-0.2 -24,-0.2 -0.773 40.0 148.0 -77.4 122.0 -1.8 90.1 100.4 59 61 A A - 0 0 2 -26,-2.4 2,-0.8 -2,-0.6 -24,-0.1 -0.852 46.3-139.3-160.9 112.8 -1.5 87.7 97.4 60 62 A N > - 0 0 43 -2,-0.3 3,-2.2 1,-0.2 6,-0.3 -0.701 19.1-154.4 -68.8 111.2 1.6 86.9 95.3 61 63 A V T 3 S+ 0 0 7 -2,-0.8 -1,-0.2 1,-0.3 57,-0.1 0.591 86.3 75.5 -77.5 -6.3 -0.1 86.9 92.0 62 64 A G T 3 S+ 0 0 4 1,-0.1 -1,-0.3 51,-0.1 48,-0.1 0.524 89.9 68.9 -71.9 -5.6 2.6 84.5 90.6 63 65 A Q X> - 0 0 93 -3,-2.2 4,-2.0 1,-0.1 3,-1.0 -0.910 69.2-159.5-119.5 109.3 0.8 81.8 92.6 64 66 A P H 3> S+ 0 0 12 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.809 92.6 61.2 -56.4 -29.4 -2.6 80.8 91.3 65 67 A A H 3> S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.896 107.2 46.3 -63.3 -33.8 -3.6 79.3 94.7 66 68 A K H <> S+ 0 0 78 -3,-1.0 4,-2.7 -6,-0.3 -1,-0.2 0.851 109.3 55.0 -76.0 -34.8 -3.1 82.9 96.2 67 69 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 -7,-0.2 -2,-0.2 0.936 108.5 47.8 -54.8 -48.6 -5.1 84.4 93.3 68 70 A K H X S+ 0 0 124 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.919 111.4 50.2 -64.3 -41.8 -8.0 82.1 94.1 69 71 A E H X S+ 0 0 80 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.938 110.2 51.1 -59.7 -45.5 -7.8 83.0 97.9 70 72 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.905 110.6 47.5 -56.8 -48.0 -7.8 86.7 97.0 71 73 A F H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.858 106.7 56.8 -69.9 -30.7 -10.9 86.4 94.8 72 74 A Q H X S+ 0 0 115 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.923 108.8 48.8 -58.3 -42.6 -12.7 84.4 97.5 73 75 A Q H X S+ 0 0 56 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.909 111.0 49.2 -63.0 -39.7 -12.1 87.4 99.8 74 76 A I H X>S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-1.2 0.922 112.1 47.9 -65.8 -43.8 -13.4 89.8 97.1 75 77 A D H X5S+ 0 0 62 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.942 114.7 46.3 -64.5 -40.3 -16.5 87.7 96.6 76 78 A E H <5S+ 0 0 138 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.878 121.2 37.6 -68.3 -36.1 -17.1 87.5 100.5 77 79 A T H <5S+ 0 0 77 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.920 137.6 8.5 -86.6 -44.8 -16.5 91.1 101.0 78 80 A F H <5S- 0 0 6 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.1 0.653 77.0-143.6-110.3 -25.2 -18.1 92.8 97.9 79 81 A G S < - 0 0 44 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.287 49.4-117.3 -64.3 150.6 22.1 89.1 80.3 96 98 A V G > S+ 0 0 1 1,-0.3 3,-1.4 2,-0.2 774,-0.1 0.790 111.8 61.8 -59.1 -34.5 20.3 86.2 78.6 97 99 A M G 3 S+ 0 0 59 1,-0.3 -1,-0.3 822,-0.1 823,-0.0 0.669 104.3 50.5 -67.3 -15.6 23.4 83.9 78.9 98 100 A E G < S+ 0 0 109 -3,-2.1 2,-0.3 2,-0.1 -1,-0.3 0.329 82.0 119.3-101.3 2.6 23.1 84.2 82.8 99 101 A L < - 0 0 4 -3,-1.4 2,-0.2 -4,-0.2 771,-0.0 -0.562 45.3-160.9 -77.1 139.6 19.4 83.4 83.1 100 102 A E >> - 0 0 108 -2,-0.3 4,-1.6 1,-0.1 3,-0.7 -0.713 32.9-104.2-110.9 163.9 18.4 80.3 85.1 101 103 A E H 3> S+ 0 0 71 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.877 119.7 54.8 -56.9 -41.5 15.2 78.4 85.1 102 104 A T H 3> S+ 0 0 92 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.849 104.5 55.2 -59.3 -35.0 14.0 79.9 88.4 103 105 A H H <> S+ 0 0 25 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.890 111.4 44.9 -62.7 -45.6 14.5 83.4 87.0 104 106 A W H X S+ 0 0 5 -4,-1.6 4,-3.1 2,-0.2 5,-0.4 0.949 115.0 46.0 -62.3 -52.8 12.2 82.6 84.0 105 107 A D H X S+ 0 0 51 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.916 112.1 51.1 -60.8 -44.3 9.5 80.9 86.1 106 108 A W H X S+ 0 0 123 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.943 116.9 40.3 -56.1 -47.6 9.4 83.7 88.7 107 109 A T H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 5,-0.3 0.926 117.7 44.8 -73.7 -47.6 9.0 86.4 86.1 108 110 A M H X>S+ 0 0 3 -4,-3.1 5,-2.5 1,-0.2 4,-1.8 0.867 112.9 52.8 -67.6 -36.9 6.6 84.6 83.8 109 111 A N H <>S+ 0 0 37 -4,-2.6 5,-1.1 -5,-0.4 -2,-0.2 0.950 117.0 35.9 -65.3 -46.2 4.5 83.4 86.7 110 112 A I H <5S+ 0 0 13 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.908 125.1 37.8 -70.2 -38.2 4.0 86.9 88.2 111 113 A N H <5S+ 0 0 0 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.770 133.8 6.6 -94.8 -27.3 3.8 89.0 85.0 112 114 A A T >X5S+ 0 0 0 -4,-1.8 4,-1.2 -5,-0.3 3,-0.9 0.700 122.3 54.7-125.9 -53.4 1.9 86.9 82.5 113 115 A K H 3> S+ 0 0 0 -3,-0.9 4,-2.5 1,-0.2 -1,-0.2 0.907 105.0 51.8 -67.1 -38.9 -3.4 87.6 84.1 116 118 A L H X S+ 0 0 0 -4,-1.2 4,-2.0 -3,-0.3 -1,-0.2 0.965 117.2 36.8 -63.8 -47.5 -4.8 84.3 83.0 117 119 A F H X S+ 0 0 19 -4,-1.8 4,-2.0 2,-0.2 5,-0.2 0.913 117.7 49.3 -75.8 -36.9 -5.9 83.2 86.5 118 120 A C H X S+ 0 0 0 -4,-2.9 4,-3.3 -5,-0.2 5,-0.2 0.905 111.3 52.5 -61.8 -42.0 -6.9 86.6 87.7 119 121 A A H X S+ 0 0 1 -4,-2.5 4,-2.8 -5,-0.3 -2,-0.2 0.902 108.0 50.3 -62.1 -44.1 -9.0 87.0 84.5 120 122 A Q H X S+ 0 0 18 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.947 115.6 41.1 -56.1 -49.2 -10.8 83.7 85.0 121 123 A E H X S+ 0 0 37 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.881 115.4 52.0 -69.6 -39.6 -11.7 84.6 88.6 122 124 A A H X S+ 0 0 0 -4,-3.3 4,-3.4 -5,-0.2 -1,-0.2 0.916 107.2 52.7 -60.5 -44.2 -12.6 88.2 87.6 123 125 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.890 104.8 54.4 -61.7 -39.3 -14.9 87.0 84.8 124 126 A K H X S+ 0 0 105 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.909 115.1 41.2 -61.2 -41.4 -16.8 84.7 87.2 125 127 A L H >< S+ 0 0 11 -4,-1.7 3,-0.8 1,-0.2 -44,-0.5 0.895 114.1 52.4 -70.7 -39.5 -17.4 87.8 89.5 126 128 A M H ><>S+ 0 0 1 -4,-3.4 5,-2.8 1,-0.2 3,-1.2 0.826 96.9 65.7 -66.1 -32.8 -18.1 90.2 86.5 127 129 A E H ><5S+ 0 0 122 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.808 88.5 71.7 -62.6 -24.8 -20.8 87.9 85.0 128 130 A K T <<5S+ 0 0 106 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.829 110.4 27.4 -60.0 -33.8 -23.0 88.6 88.1 129 131 A N T < 5S- 0 0 85 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.096 127.0 -85.4-120.4 20.0 -23.7 92.2 87.0 130 132 A G T < 5S- 0 0 52 -3,-1.1 2,-0.3 -4,-0.2 -3,-0.2 0.624 80.6 -47.3 99.2 15.4 -23.4 91.9 83.3 131 133 A G < - 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0 0 10 -4,-1.0 3,-2.6 -5,-0.3 36,-0.1 -0.672 63.7-143.3 -74.5 118.1 11.3 111.6 74.1 208 210 A P T 3 S+ 0 0 25 0, 0.0 35,-0.2 0, 0.0 -1,-0.2 0.853 96.8 67.0 -53.2 -37.2 9.8 113.8 71.4 209 211 A A T 3 S- 0 0 4 33,-1.8 3,-0.1 2,-0.2 34,-0.1 0.690 109.4-123.9 -55.1 -24.9 7.2 115.2 73.9 210 212 A G S < S+ 0 0 63 -3,-2.6 2,-0.3 1,-0.2 -1,-0.1 0.523 81.7 58.1 92.3 9.4 10.1 116.8 75.6 211 213 A R S S- 0 0 91 31,-0.1 -1,-0.2 -8,-0.1 -2,-0.2 -0.952 88.5 -90.9-157.3 166.0 9.5 115.2 79.1 212 214 A M - 0 0 11 -2,-0.3 2,-0.1 1,-0.1 -27,-0.1 -0.484 46.5 -95.7 -78.6 157.8 9.2 111.7 80.6 213 215 A V B -h 185 0C 3 -29,-0.7 -27,-0.5 -2,-0.1 2,-0.3 -0.451 44.4-152.6 -59.6 141.8 6.0 109.7 80.9 214 216 A E >> - 0 0 108 -29,-0.1 4,-1.3 -2,-0.1 3,-1.2 -0.785 28.1-106.3-116.0 161.8 4.6 110.2 84.4 215 217 A I H 3> S+ 0 0 44 -2,-0.3 4,-2.5 1,-0.3 3,-0.3 0.888 119.1 62.3 -51.5 -41.1 2.3 107.8 86.4 216 218 A K H 3> S+ 0 0 130 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.832 98.4 56.2 -54.5 -37.4 -0.6 110.1 85.7 217 219 A D H <> S+ 0 0 18 -3,-1.2 4,-1.3 2,-0.2 -1,-0.2 0.908 109.4 44.9 -65.2 -41.1 -0.3 109.5 81.9 218 220 A M H X S+ 0 0 2 -4,-1.3 4,-2.6 -3,-0.3 3,-0.2 0.941 114.3 49.7 -64.8 -47.2 -0.6 105.7 82.4 219 221 A V H X S+ 0 0 4 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.869 105.3 57.6 -58.3 -42.8 -3.5 106.2 84.8 220 222 A D H X S+ 0 0 2 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.897 109.3 44.5 -56.6 -40.7 -5.3 108.5 82.3 221 223 A T H X S+ 0 0 1 -4,-1.3 4,-2.7 -3,-0.2 -2,-0.2 0.925 112.2 52.1 -73.2 -39.2 -5.3 105.8 79.6 222 224 A V H X S+ 0 0 3 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.930 108.6 51.9 -55.0 -47.8 -6.4 103.1 82.1 223 225 A E H < S+ 0 0 47 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.908 110.5 47.5 -55.8 -45.5 -9.3 105.4 83.1 224 226 A F H >< S+ 0 0 12 -4,-1.8 3,-1.6 1,-0.2 5,-0.4 0.938 108.9 54.0 -60.3 -46.9 -10.3 105.8 79.5 225 227 A L H 3< S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.728 114.9 40.3 -70.2 -19.2 -10.1 102.1 78.8 226 228 A V T 3< S+ 0 0 6 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.373 95.2 88.8 -98.6 4.4 -12.5 101.3 81.8 227 229 A S S < S- 0 0 47 -3,-1.6 -2,-0.1 -4,-0.4 -1,-0.1 0.441 96.9-112.8 -87.0 -4.7 -14.9 104.2 81.2 228 230 A S S > S+ 0 0 75 -4,-0.2 3,-0.6 -3,-0.2 -3,-0.1 0.189 105.1 91.0 79.9 -10.7 -17.6 102.8 78.7 229 231 A K T 3 S+ 0 0 73 -5,-0.4 247,-0.1 1,-0.2 3,-0.1 0.427 87.8 46.8 -86.4 -0.5 -16.1 105.3 76.1 230 232 A A T > S+ 0 0 2 -6,-0.2 3,-1.8 -5,-0.1 -1,-0.2 0.064 70.3 123.8-129.2 23.6 -13.8 102.5 75.0 231 233 A D T < S+ 0 0 44 -3,-0.6 -1,-0.1 1,-0.3 -2,-0.1 0.667 76.1 48.9 -68.1 -15.0 -16.1 99.5 74.7 232 234 A M T 3 S+ 0 0 2 -3,-0.1 262,-2.8 237,-0.1 261,-0.9 0.278 86.6 93.7-108.2 11.9 -15.3 98.8 71.0 233 235 A I < + 0 0 0 -3,-1.8 2,-0.4 259,-0.2 259,-0.1 -0.929 60.9 171.5 -92.6 121.3 -11.5 98.9 71.5 234 236 A R - 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