==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-NOV-06 2O2Y . COMPND 2 MOLECULE: ENOYL-ACYL CARRIER REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR S.P.MUENCH,S.T.PRIGGE,R.MCLEOD,J.B.RAFFERTY,M.J.KIRISITS,C.W . 1160 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42273.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 847 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 153 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.0 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 2 0.2 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 . 68 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 146 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 384 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.0 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 8 3 1 0 0 1 4 8 14 1 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 10 10 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 15 A D 0 0 109 0, 0.0 27,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 97.8 -8.3 3.1 11.2 2 16 A I E -a 28 0A 25 25,-0.2 111,-2.1 109,-0.1 112,-2.1 -0.985 360.0-166.8-120.3 129.7 -7.4 -0.3 9.5 3 17 A C E -ab 29 114A 0 25,-2.8 27,-2.7 -2,-0.4 2,-0.6 -0.963 11.7-152.1-117.6 131.2 -4.7 -2.6 10.8 4 18 A F E -ab 30 115A 0 110,-1.7 112,-2.9 -2,-0.4 2,-0.7 -0.917 14.0-164.1 -96.8 117.6 -3.2 -5.6 9.0 5 19 A I E -ab 31 116A 0 25,-3.3 27,-3.0 -2,-0.6 2,-0.6 -0.912 3.1-164.3-105.9 107.8 -2.0 -8.1 11.6 6 20 A A E +ab 32 117A 0 110,-2.9 112,-3.2 -2,-0.7 27,-0.1 -0.834 65.3 40.4 -95.2 119.7 0.4 -10.6 10.1 7 21 A G + 0 0 27 25,-2.5 2,-0.5 -2,-0.6 8,-0.4 0.730 63.8 142.4 116.0 37.7 1.0 -13.8 12.2 8 22 A I + 0 0 3 24,-1.3 26,-0.4 -3,-0.4 -1,-0.3 -0.914 3.9 153.2-100.1 128.8 -2.2 -14.9 13.7 9 23 A G S S- 0 0 21 -2,-0.5 2,-0.2 1,-0.3 -1,-0.1 0.483 71.0 -18.5-121.3 -20.2 -2.6 -18.7 13.9 10 24 A D S S- 0 0 20 31,-0.0 -1,-0.3 40,-0.0 3,-0.3 -0.823 78.0 -82.9-164.8-164.5 -4.9 -19.1 16.9 11 25 A T S S+ 0 0 16 -2,-0.2 -3,-0.0 1,-0.2 209,-0.0 0.282 107.0 77.3-103.3 12.5 -6.0 -17.1 20.0 12 26 A N S S+ 0 0 96 4,-0.1 -1,-0.2 239,-0.0 2,-0.1 0.421 81.0 72.8-104.3 0.9 -3.0 -17.9 22.1 13 27 A G S > S- 0 0 13 -3,-0.3 4,-1.1 207,-0.1 3,-0.2 -0.313 92.2 -95.0-107.5-173.3 -0.3 -15.6 20.8 14 28 A Y H > S+ 0 0 30 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.798 116.9 65.8 -73.6 -30.7 0.6 -11.9 20.8 15 29 A G H > S+ 0 0 3 -8,-0.4 4,-2.2 103,-0.3 -1,-0.2 0.857 101.3 49.2 -57.0 -39.3 -1.2 -11.3 17.5 16 30 A W H > S+ 0 0 7 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.917 109.9 50.9 -69.7 -43.0 -4.6 -12.1 19.1 17 31 A G H X S+ 0 0 0 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.837 111.0 48.5 -59.8 -37.4 -3.9 -9.8 22.0 18 32 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.933 111.4 50.4 -68.8 -46.7 -3.0 -6.9 19.7 19 33 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.948 111.9 48.8 -48.6 -54.7 -6.2 -7.7 17.6 20 34 A K H X S+ 0 0 50 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.917 113.5 44.0 -55.7 -53.3 -8.3 -7.6 20.8 21 35 A E H X S+ 0 0 14 -4,-2.2 4,-0.7 2,-0.2 3,-0.4 0.903 113.4 50.0 -64.2 -43.5 -6.9 -4.3 22.2 22 36 A L H ><>S+ 0 0 0 -4,-2.7 5,-1.7 1,-0.2 3,-1.4 0.902 106.1 57.4 -62.4 -39.0 -7.0 -2.5 18.8 23 37 A S H ><5S+ 0 0 4 -4,-2.5 3,-1.9 -5,-0.3 -1,-0.2 0.834 96.3 64.2 -56.9 -34.1 -10.7 -3.7 18.5 24 38 A K H 3<5S+ 0 0 87 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.775 103.5 47.7 -58.3 -30.4 -11.2 -1.9 21.8 25 39 A R T <<5S- 0 0 84 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.110 121.4-108.4 -98.0 17.5 -10.4 1.4 19.9 26 40 A N T < 5 + 0 0 127 -3,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.778 64.1 157.0 59.6 29.4 -12.7 0.5 17.0 27 41 A V < - 0 0 7 -5,-1.7 2,-0.2 -8,-0.1 -1,-0.2 -0.713 46.3-121.1 -78.0 130.2 -9.8 -0.2 14.6 28 42 A K E -a 2 0A 117 -27,-2.9 -25,-2.8 -2,-0.4 2,-0.4 -0.580 33.8-150.2 -66.3 138.0 -10.8 -2.4 11.7 29 43 A I E -ac 3 64A 0 34,-0.7 36,-1.6 -2,-0.2 37,-1.2 -0.953 17.5-170.6-123.4 134.1 -8.6 -5.5 11.8 30 44 A I E -ac 4 66A 0 -27,-2.7 -25,-3.3 -2,-0.4 2,-0.4 -0.983 17.0-143.6-121.4 125.3 -7.4 -7.8 9.1 31 45 A F E -ac 5 67A 0 35,-2.6 37,-3.2 -2,-0.5 2,-0.7 -0.711 3.4-154.2 -90.0 137.3 -5.6 -11.1 9.9 32 46 A G E -ac 6 68A 1 -27,-3.0 -25,-2.5 -2,-0.4 -24,-1.3 -0.939 22.4-166.3-105.8 108.1 -2.7 -12.5 7.9 33 47 A I E - c 0 69A 0 35,-3.8 37,-2.5 -2,-0.7 -24,-0.1 -0.874 23.5-117.8-109.1 123.2 -2.8 -16.2 8.5 34 48 A W >> - 0 0 107 -2,-0.5 3,-2.3 -26,-0.4 4,-0.8 -0.277 29.7-124.2 -55.1 124.3 0.0 -18.6 7.6 35 49 A P H >> S+ 0 0 3 0, 0.0 3,-0.7 0, 0.0 4,-0.6 0.774 104.8 64.3 -49.9 -35.5 -1.4 -21.1 5.0 36 50 A P H 34 S+ 0 0 15 0, 0.0 4,-0.1 0, 0.0 -2,-0.1 0.710 118.6 27.6 -62.1 -18.3 -0.5 -24.3 6.9 37 51 A V H <> S+ 0 0 25 -3,-2.3 4,-2.6 2,-0.1 5,-0.2 0.354 96.6 97.3-117.6 1.2 -3.0 -23.2 9.6 38 52 A Y H S+ 0 0 102 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.919 111.4 47.3 -66.9 -46.1 -8.0 -24.8 10.5 41 55 A F H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.938 111.6 50.4 -58.8 -48.2 -8.3 -21.3 11.8 42 56 A M H X S+ 0 0 35 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.861 110.9 49.2 -63.0 -36.9 -11.2 -20.5 9.4 43 57 A K H X S+ 0 0 134 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.929 111.2 48.1 -68.0 -47.0 -13.1 -23.7 10.5 44 58 A N H <>S+ 0 0 50 -4,-2.3 5,-3.2 2,-0.2 6,-0.4 0.887 114.4 47.1 -60.1 -40.8 -12.7 -23.0 14.2 45 59 A Y H ><5S+ 0 0 72 -4,-2.4 3,-1.6 3,-0.2 -2,-0.2 0.916 111.9 49.0 -66.8 -46.4 -13.8 -19.4 13.8 46 60 A K H 3<5S+ 0 0 176 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.769 111.6 51.1 -63.3 -29.5 -16.8 -20.5 11.6 47 61 A N T 3<5S- 0 0 131 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.090 117.9-113.7 -95.8 19.7 -17.7 -23.1 14.3 48 62 A G T X 5S+ 0 0 27 -3,-1.6 3,-0.6 1,-0.1 4,-0.4 0.666 70.9 140.0 64.3 21.7 -17.6 -20.4 17.1 49 63 A K T 3 > S+ 0 0 6 -6,-0.4 4,-1.6 1,-0.2 3,-0.9 0.432 81.7 107.5 -98.0 -4.2 -13.0 -18.5 19.5 51 65 A D G X4 S+ 0 0 93 -3,-0.6 3,-0.6 1,-0.3 4,-0.4 0.868 83.1 47.1 -48.0 -43.8 -16.3 -16.7 20.3 52 66 A N G >4 S+ 0 0 123 -4,-0.4 3,-1.0 1,-0.2 -1,-0.3 0.853 110.0 53.8 -64.8 -35.6 -15.3 -16.5 24.0 53 67 A D G <4 S+ 0 0 56 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.684 101.2 61.1 -72.0 -18.7 -11.9 -15.3 23.1 54 68 A M G << S+ 0 0 20 -4,-1.6 8,-2.3 -3,-0.6 2,-0.3 0.569 80.2 109.4 -82.9 -9.2 -13.4 -12.5 21.1 55 69 A I B < +G 61 0B 80 -3,-1.0 6,-0.2 -4,-0.4 3,-0.1 -0.526 36.7 173.7 -73.0 130.1 -15.2 -11.0 24.1 56 70 A I - 0 0 36 4,-2.2 2,-0.2 1,-0.4 5,-0.2 0.844 63.8 -56.5 -94.7 -57.9 -13.8 -7.7 25.4 57 71 A D S S- 0 0 87 3,-1.7 -1,-0.4 0, 0.0 3,-0.4 -0.726 86.2 -36.6-157.6-151.3 -16.4 -7.0 28.1 58 72 A K S S+ 0 0 108 -2,-0.2 3,-0.1 1,-0.2 -3,-0.0 0.696 132.1 14.2 -45.4 -30.4 -20.2 -6.6 28.4 59 73 A D S S+ 0 0 93 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.154 111.2 67.5-158.1 8.8 -20.8 -4.9 25.1 60 74 A K + 0 0 56 -3,-0.4 -4,-2.2 2,-0.0 -3,-1.7 -0.961 46.6 172.3-132.6 131.6 -17.9 -5.1 22.8 61 75 A K B -G 55 0B 32 -2,-0.3 -6,-0.2 -6,-0.2 2,-0.1 -0.787 48.7 -78.9-112.7 170.0 -16.7 -8.3 21.2 62 76 A M - 0 0 8 -8,-2.3 2,-0.5 -2,-0.3 -42,-0.1 -0.373 36.9-151.8 -69.6 147.0 -14.0 -8.2 18.5 63 77 A N - 0 0 112 -36,-0.2 -34,-0.7 -43,-0.1 2,-0.7 -0.961 7.6-162.0-123.3 112.8 -14.9 -7.3 14.9 64 78 A I E -c 29 0A 23 -2,-0.5 -34,-0.1 1,-0.2 3,-0.1 -0.846 7.0-167.3-102.1 111.6 -12.7 -8.9 12.2 65 79 A L E - 0 0 61 -36,-1.6 2,-0.3 -2,-0.7 -35,-0.2 0.883 69.1 -14.6 -66.2 -41.6 -12.9 -7.2 8.8 66 80 A D E -c 30 0A 30 -37,-1.2 -35,-2.6 2,-0.0 2,-0.5 -0.984 49.1-145.9-161.7 152.8 -11.1 -10.0 6.9 67 81 A M E -c 31 0A 7 -2,-0.3 -35,-0.2 -37,-0.2 -37,-0.0 -0.963 26.7-176.0-126.0 115.4 -8.9 -13.1 7.3 68 82 A L E -c 32 0A 12 -37,-3.2 -35,-3.8 -2,-0.5 2,-0.4 -0.844 31.0-115.7-117.8 142.8 -6.3 -13.7 4.6 69 83 A P E +c 33 0A 12 0, 0.0 2,-0.4 0, 0.0 -35,-0.2 -0.647 45.6 177.0 -74.2 130.3 -3.9 -16.5 3.9 70 84 A F - 0 0 5 -37,-2.5 2,-0.5 -2,-0.4 27,-0.2 -0.979 25.0-178.4-147.6 121.9 -0.4 -15.0 4.2 71 85 A D > - 0 0 7 25,-3.0 3,-1.4 -2,-0.4 27,-0.4 -0.951 9.2-165.9-124.2 107.9 3.2 -16.3 4.0 72 86 A A T 3 S+ 0 0 7 -2,-0.5 78,-0.1 1,-0.3 79,-0.1 0.376 80.1 76.4 -75.8 1.8 5.8 -13.6 4.6 73 87 A S T 3 S+ 0 0 16 1,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.549 89.8 65.4 -82.9 -11.2 8.6 -15.8 3.2 74 88 A F < - 0 0 14 -3,-1.4 24,-2.5 22,-0.2 -3,-0.2 -0.965 57.2-177.5-116.4 122.0 7.4 -15.0 -0.3 75 89 A D S S+ 0 0 13 -2,-0.5 24,-2.8 1,-0.2 2,-0.3 0.901 74.5 3.9 -81.9 -47.6 7.6 -11.5 -1.6 76 90 A T S > S- 0 0 17 22,-0.2 3,-1.6 23,-0.1 4,-0.2 -0.874 80.5-101.3-133.7 169.0 6.0 -12.1 -5.0 77 91 A A G > S+ 0 0 52 -2,-0.3 3,-1.4 1,-0.3 -1,-0.0 0.797 118.8 63.9 -63.4 -30.8 4.3 -15.0 -6.7 78 92 A N G 3 S+ 0 0 159 1,-0.2 -1,-0.3 -4,-0.0 -4,-0.0 0.722 95.7 61.8 -63.9 -22.1 7.5 -15.6 -8.8 79 93 A D G < S+ 0 0 72 -3,-1.6 2,-0.3 2,-0.0 -1,-0.2 0.538 73.7 114.2 -81.2 -8.1 9.3 -16.4 -5.4 80 94 A I < - 0 0 25 -3,-1.4 2,-0.0 -4,-0.2 -6,-0.0 -0.507 61.8-138.9 -71.0 123.7 7.1 -19.4 -4.6 81 95 A D > - 0 0 68 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.280 16.6-114.1 -80.2 167.9 9.2 -22.6 -4.6 82 96 A E H > S+ 0 0 103 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.843 115.0 59.4 -72.8 -36.9 8.3 -26.0 -6.0 83 97 A E H 4 S+ 0 0 164 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.913 111.1 44.3 -52.5 -41.8 8.3 -27.7 -2.6 84 98 A T H >4 S+ 0 0 20 1,-0.2 3,-1.3 2,-0.2 6,-0.2 0.828 108.7 53.9 -76.0 -37.5 5.6 -25.2 -1.6 85 99 A K H 3< S+ 0 0 101 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.726 107.6 54.8 -66.1 -24.1 3.5 -25.4 -4.8 86 100 A N T 3< S+ 0 0 113 -4,-1.4 2,-0.5 -5,-0.1 -1,-0.3 0.127 85.9 103.5 -97.1 18.8 3.4 -29.2 -4.1 87 101 A N X> - 0 0 50 -3,-1.3 4,-1.0 1,-0.1 3,-0.9 -0.919 67.7-141.6-108.7 123.4 2.0 -28.8 -0.6 88 102 A K H 3> S+ 0 0 193 -2,-0.5 4,-0.8 1,-0.3 3,-0.3 0.757 97.3 54.2 -55.8 -36.9 -1.7 -29.5 -0.2 89 103 A R H 34 S+ 0 0 136 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.873 112.1 45.3 -68.0 -36.7 -2.5 -26.7 2.3 90 104 A Y H <4 S+ 0 0 16 -3,-0.9 3,-0.3 -6,-0.2 -1,-0.2 0.666 99.6 72.2 -75.9 -20.1 -1.1 -24.1 -0.0 91 105 A N H < S+ 0 0 100 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.814 93.0 50.6 -75.7 -33.3 -2.8 -25.4 -3.2 92 106 A M S < S+ 0 0 109 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.1 0.795 104.4 83.0 -63.4 -27.9 -6.3 -24.4 -2.4 93 107 A L - 0 0 19 -4,-0.4 2,-0.3 -3,-0.3 3,-0.1 -0.409 55.8-172.1 -97.2 152.7 -5.1 -20.9 -1.7 94 108 A Q + 0 0 152 -2,-0.1 -2,-0.0 1,-0.1 -3,-0.0 -0.921 60.4 21.7-132.7 158.5 -4.2 -17.8 -3.8 95 109 A N + 0 0 78 -2,-0.3 9,-0.1 1,-0.1 -1,-0.1 0.820 69.4 138.6 61.7 40.5 -2.6 -14.4 -3.4 96 110 A Y + 0 0 17 4,-0.1 -25,-3.0 -3,-0.1 -22,-0.2 0.332 35.6 101.4-103.3 6.7 -0.7 -15.2 -0.2 97 111 A T S > S- 0 0 0 -27,-0.2 4,-2.8 1,-0.1 5,-0.3 -0.505 86.8-105.8 -87.7 160.7 2.6 -13.5 -1.0 98 112 A I H > S+ 0 0 0 -24,-2.5 4,-1.8 -27,-0.4 5,-0.2 0.917 121.8 45.1 -53.5 -49.2 3.5 -10.1 0.5 99 113 A E H > S+ 0 0 69 -24,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.907 113.6 50.3 -60.2 -43.8 2.8 -8.3 -2.7 100 114 A D H > S+ 0 0 27 -25,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.909 111.0 46.9 -64.8 -46.8 -0.4 -10.2 -3.4 101 115 A V H X S+ 0 0 1 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.830 111.8 51.8 -62.5 -36.8 -1.9 -9.5 0.1 102 116 A A H X S+ 0 0 4 -4,-1.8 4,-2.3 -5,-0.3 -2,-0.2 0.922 112.2 45.9 -65.7 -44.3 -1.0 -5.8 -0.2 103 117 A N H X S+ 0 0 67 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.862 113.9 49.2 -63.0 -41.0 -2.7 -5.6 -3.6 104 118 A L H X S+ 0 0 48 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.968 112.4 46.1 -64.9 -53.7 -5.8 -7.4 -2.3 105 119 A I H X>S+ 0 0 0 -4,-2.4 4,-3.5 1,-0.2 5,-0.7 0.927 115.2 47.9 -55.5 -48.5 -6.2 -5.3 0.8 106 120 A H H X5S+ 0 0 67 -4,-2.3 4,-1.3 3,-0.2 -1,-0.2 0.890 115.0 42.9 -61.1 -46.2 -5.7 -2.1 -1.2 107 121 A Q H <5S+ 0 0 142 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.884 122.6 40.6 -69.0 -35.2 -8.1 -3.0 -4.0 108 122 A K H <5S+ 0 0 122 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.872 137.3 7.3 -80.9 -40.0 -10.7 -4.3 -1.4 109 123 A Y H <5S- 0 0 67 -4,-3.5 -3,-0.2 1,-0.3 -2,-0.2 0.502 94.2-128.5-123.8 -10.6 -10.4 -1.7 1.4 110 124 A G << - 0 0 27 -4,-1.3 -1,-0.3 -5,-0.7 -2,-0.1 -0.377 61.8 -9.9 80.0-168.0 -8.2 1.1 0.2 111 125 A K - 0 0 97 -2,-0.1 48,-0.2 1,-0.1 2,-0.2 -0.269 68.5-144.1 -70.1 147.9 -5.2 2.4 2.1 112 126 A I E - d 0 159A 0 46,-2.4 48,-1.9 43,-0.2 -109,-0.1 -0.574 11.4-147.3-114.6 175.4 -4.6 1.3 5.7 113 127 A N E S+ 0 0 18 -111,-2.1 51,-1.6 -2,-0.2 2,-0.3 0.603 72.5 35.0-118.4 -26.6 -3.3 3.0 8.9 114 128 A M E -bd 3 164A 8 -112,-2.1 -110,-1.7 49,-0.2 2,-0.4 -0.962 53.4-163.4-140.4 152.0 -1.5 0.4 11.0 115 129 A L E -bd 4 165A 0 49,-1.5 51,-2.4 -2,-0.3 2,-0.5 -0.989 3.3-168.2-141.8 129.9 0.7 -2.7 10.4 116 130 A V E -bd 5 166A 0 -112,-2.9 -110,-2.9 -2,-0.4 2,-0.6 -0.983 7.4-164.5-122.4 127.2 1.6 -5.4 12.8 117 131 A H E +bd 6 167A 1 49,-2.5 51,-0.8 -2,-0.5 -110,-0.2 -0.961 23.0 159.5-106.5 108.1 4.4 -8.0 12.2 118 132 A S + 0 0 18 -112,-3.2 2,-0.3 -2,-0.6 -103,-0.3 -0.295 39.4 94.8-131.0 47.7 3.7 -10.7 14.7 119 133 A L + 0 0 38 25,-0.1 2,-0.3 49,-0.1 49,-0.2 -0.930 35.5 164.0-141.3 157.0 5.5 -13.7 13.2 120 134 A A - 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