==== 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 3OIC . 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 . 499 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22218.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 369 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 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 . 28 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 180 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.8 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 1 0 1 1 0 0 2 2 4 0 2 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 3 2 3 0 1 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 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 3 A Q 0 0 178 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-139.8 53.0 66.1 74.7 2 4 A N - 0 0 58 1,-0.1 2,-0.1 25,-0.0 25,-0.1 0.153 360.0-119.2 -59.8 154.9 50.1 64.9 72.2 3 5 A K - 0 0 120 23,-0.4 25,-3.0 78,-0.0 2,-0.4 -0.467 31.1-125.5 -78.4 158.4 50.0 64.0 68.5 4 6 A C E -a 28 0A 0 23,-0.2 78,-3.1 -2,-0.1 79,-1.7 -0.920 21.3-172.0-117.7 131.0 47.8 66.1 66.2 5 7 A A E -ab 29 83A 0 23,-2.9 25,-2.4 -2,-0.4 2,-0.4 -0.984 7.8-158.4-118.1 127.0 45.1 64.9 63.7 6 8 A L E -ab 30 84A 0 77,-2.3 79,-3.0 -2,-0.4 2,-0.4 -0.915 9.7-174.7 -99.7 130.3 43.2 67.1 61.0 7 9 A V E > -ab 31 85A 0 23,-2.0 25,-1.3 -2,-0.4 3,-0.6 -0.993 13.7-147.2-122.6 122.6 39.9 65.8 59.9 8 10 A T T 3 S+ 0 0 14 77,-2.0 25,-0.1 -2,-0.4 52,-0.1 -0.514 81.2 17.9 -83.1 153.9 38.2 67.7 57.0 9 11 A G T 3 S+ 0 0 13 -2,-0.2 6,-0.6 1,-0.1 3,-0.5 0.860 85.0 141.9 58.0 38.4 34.4 68.0 56.9 10 12 A S < + 0 0 0 22,-1.7 23,-0.1 -3,-0.6 -1,-0.1 0.075 33.3 92.4-107.1 27.7 34.2 67.0 60.6 11 13 A S S S- 0 0 12 21,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.647 104.2 -2.7 -88.0 -11.9 31.4 69.1 62.0 12 14 A R S >> S+ 0 0 135 -3,-0.5 4,-1.7 31,-0.0 3,-0.6 -0.935 107.2 18.5-157.2-179.9 29.1 66.2 61.3 13 15 A G H 3> S- 0 0 36 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 -0.144 118.2 -11.7 57.3-131.3 28.7 62.7 59.7 14 16 A V H 3> S+ 0 0 11 75,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.891 134.0 57.9 -79.1 -36.3 31.7 60.5 59.1 15 17 A G H <> S+ 0 0 0 -3,-0.6 4,-3.0 -6,-0.6 -5,-0.3 0.951 107.8 48.4 -53.5 -50.5 34.2 63.3 59.7 16 18 A K H X S+ 0 0 74 -4,-1.7 4,-2.6 -7,-0.4 -1,-0.2 0.937 112.1 47.1 -58.9 -52.9 32.8 63.9 63.2 17 19 A A H X S+ 0 0 31 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.905 113.3 50.1 -58.1 -38.8 32.9 60.2 64.1 18 20 A A H X S+ 0 0 5 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.923 112.5 45.9 -66.3 -43.0 36.4 59.9 62.8 19 21 A A H X S+ 0 0 0 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.838 113.3 51.4 -67.5 -31.5 37.6 63.0 64.8 20 22 A I H >X S+ 0 0 29 -4,-2.6 4,-2.6 -5,-0.3 3,-0.6 0.995 109.8 48.2 -66.1 -60.5 35.8 61.6 67.9 21 23 A R H 3< S+ 0 0 51 -4,-2.6 4,-0.4 1,-0.3 -2,-0.2 0.882 114.2 47.0 -45.1 -47.6 37.5 58.2 67.6 22 24 A L H ><>S+ 0 0 6 -4,-2.2 5,-2.2 1,-0.2 3,-0.7 0.837 108.4 53.8 -68.9 -35.5 40.9 59.8 67.2 23 25 A A H X<5S+ 0 0 3 -4,-1.9 3,-1.6 -3,-0.6 -1,-0.2 0.903 106.2 55.1 -60.2 -38.9 40.3 62.2 70.1 24 26 A E T 3<5S+ 0 0 111 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.577 104.2 54.8 -67.4 -13.7 39.5 59.0 72.1 25 27 A N T < 5S- 0 0 84 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.355 127.7-100.2-104.4 4.7 42.9 57.7 71.0 26 28 A G T < 5S+ 0 0 27 -3,-1.6 -23,-0.4 1,-0.3 2,-0.3 0.618 72.0 142.2 93.1 17.4 44.6 60.8 72.4 27 29 A Y < - 0 0 39 -5,-2.2 -1,-0.3 -25,-0.1 2,-0.3 -0.713 54.0-121.1 -81.1 139.7 45.1 63.1 69.4 28 30 A N E -a 4 0A 6 -25,-3.0 -23,-2.9 -2,-0.3 2,-0.4 -0.628 42.3-135.8 -61.4 134.4 44.7 66.9 69.5 29 31 A I E -ac 5 54A 0 24,-2.0 26,-2.2 -2,-0.3 2,-0.6 -0.854 21.6-158.5-113.2 134.9 42.1 67.5 66.9 30 32 A V E -ac 6 55A 0 -25,-2.4 -23,-2.0 -2,-0.4 2,-0.5 -0.954 18.4-158.2-101.3 111.9 41.7 70.1 64.1 31 33 A I E -ac 7 56A 0 24,-3.1 26,-2.1 -2,-0.6 2,-0.4 -0.803 7.9-166.9 -88.8 127.5 37.9 70.3 63.2 32 34 A N E + c 0 57A 11 -25,-1.3 -22,-1.7 -2,-0.5 -21,-0.3 -0.961 9.5 176.5-115.0 137.0 37.4 71.8 59.7 33 35 A Y E - c 0 58A 27 24,-1.8 26,-2.0 -2,-0.4 2,-0.4 -0.979 26.8-144.7-136.7 150.6 33.9 72.9 58.6 34 36 A A S S- 0 0 19 1,-0.3 -23,-0.1 -2,-0.3 26,-0.1 -0.948 79.6 -28.5-106.6 139.2 32.4 74.5 55.5 35 37 A R S S+ 0 0 153 -2,-0.4 -1,-0.3 1,-0.1 24,-0.0 0.710 108.3 85.1 15.3 129.2 29.5 76.9 56.5 36 38 A S > + 0 0 48 -3,-0.1 4,-1.5 3,-0.1 5,-0.1 0.672 40.1 175.3 119.5 60.5 27.8 75.8 59.8 37 39 A K H > S+ 0 0 132 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.724 76.0 66.9 -56.4 -29.9 29.8 77.2 62.7 38 40 A K H > S+ 0 0 155 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.972 103.2 37.7 -63.5 -66.4 27.1 75.9 65.0 39 41 A A H > S+ 0 0 6 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.872 116.9 56.5 -51.3 -40.4 27.6 72.1 64.5 40 42 A A H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.897 109.4 41.3 -63.5 -46.9 31.3 72.7 64.4 41 43 A L H X S+ 0 0 88 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.897 113.8 53.9 -74.1 -35.1 31.6 74.4 67.8 42 44 A E H X S+ 0 0 124 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.936 111.8 47.0 -53.4 -49.3 29.2 71.9 69.3 43 45 A T H X S+ 0 0 5 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.898 108.6 52.9 -66.3 -38.4 31.5 69.3 68.0 44 46 A A H X S+ 0 0 5 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.875 107.6 53.5 -60.4 -39.6 34.6 71.0 69.3 45 47 A E H X S+ 0 0 116 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.968 107.6 48.8 -63.9 -54.4 33.1 71.1 72.7 46 48 A E H < S+ 0 0 86 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.898 112.7 49.6 -42.3 -53.5 32.3 67.4 72.8 47 49 A I H >< S+ 0 0 0 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.961 107.0 54.8 -53.8 -53.2 35.9 66.7 71.7 48 50 A E H >< S+ 0 0 106 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.772 92.6 72.6 -57.1 -27.7 37.3 69.0 74.4 49 51 A K T 3< S+ 0 0 146 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.1 0.107 90.5 59.3 -80.4 28.2 35.5 67.1 77.1 50 52 A L T < S- 0 0 88 -3,-1.1 -1,-0.3 1,-1.1 -2,-0.1 0.092 119.4-101.6-128.6 19.7 37.9 64.2 76.7 51 53 A G S < S+ 0 0 51 -3,-1.4 -1,-1.1 1,-0.2 -25,-0.1 -0.386 82.8 114.6 69.6-173.3 41.0 66.1 77.6 52 54 A V - 0 0 26 -2,-0.1 -2,-0.3 -3,-0.1 -1,-0.2 0.589 67.6-109.3 82.0 121.2 42.6 66.8 74.2 53 55 A K - 0 0 123 -3,-0.1 -24,-2.0 -30,-0.0 2,-0.3 -0.562 33.3-156.2 -76.9 147.8 43.0 70.3 72.7 54 56 A V E -c 29 0A 25 -2,-0.2 2,-0.4 -26,-0.2 -24,-0.2 -0.929 12.0-165.9-126.0 148.8 40.8 71.3 69.7 55 57 A L E -c 30 0A 27 -26,-2.2 -24,-3.1 -2,-0.3 2,-0.5 -0.998 10.0-154.4-131.1 137.0 41.1 73.9 66.9 56 58 A V E +c 31 0A 37 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.919 19.3 170.6-113.5 129.9 38.2 74.9 64.6 57 59 A V E -c 32 0A 7 -26,-2.1 -24,-1.8 -2,-0.5 2,-0.5 -0.994 23.8-136.8-142.8 140.4 39.0 76.3 61.2 58 60 A K E +c 33 0A 96 -2,-0.3 2,-0.2 -26,-0.2 -24,-0.2 -0.851 39.8 131.3-102.8 133.8 36.7 77.0 58.3 59 61 A A - 0 0 5 -26,-2.0 2,-0.3 -2,-0.5 -2,-0.1 -0.818 29.8-156.4-174.3 148.2 37.5 76.1 54.7 60 62 A N > - 0 0 34 -2,-0.2 3,-1.3 -52,-0.1 7,-0.1 -0.837 38.9 -96.7-122.9 163.2 35.9 74.4 51.7 61 63 A V T 3 S+ 0 0 51 1,-0.3 6,-0.1 -2,-0.3 33,-0.1 0.731 117.2 60.8 -47.6 -32.8 37.2 72.6 48.6 62 64 A G T 3 S+ 0 0 66 1,-0.2 -1,-0.3 2,-0.0 4,-0.0 0.091 89.0 80.5 -89.7 31.2 37.0 75.7 46.4 63 65 A Q <> + 0 0 70 -3,-1.3 4,-1.8 1,-0.1 5,-0.2 -0.639 44.8 171.3-140.1 80.6 39.4 77.8 48.5 64 66 A P H > S+ 0 0 81 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.913 83.7 42.6 -60.9 -48.3 43.1 77.3 47.9 65 67 A A H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.872 113.2 54.0 -69.6 -33.2 44.5 80.2 49.9 66 68 A K H > S+ 0 0 75 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.818 109.0 50.5 -65.3 -30.7 42.1 79.5 52.7 67 69 A I H X S+ 0 0 6 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.941 111.0 46.0 -73.7 -45.7 43.4 75.9 52.8 68 70 A K H X S+ 0 0 120 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.902 112.2 52.6 -57.6 -41.4 47.0 76.9 52.9 69 71 A E H X S+ 0 0 102 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.881 104.3 56.6 -64.8 -40.2 46.0 79.4 55.7 70 72 A M H X S+ 0 0 4 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.923 109.2 45.2 -55.9 -47.4 44.3 76.5 57.6 71 73 A F H X S+ 0 0 14 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.855 109.6 56.1 -67.2 -28.6 47.6 74.6 57.6 72 74 A Q H X S+ 0 0 113 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.818 108.2 48.9 -71.3 -27.6 49.5 77.8 58.6 73 75 A Q H X S+ 0 0 88 -4,-1.7 4,-2.3 -3,-0.2 -2,-0.2 0.907 107.9 52.8 -73.1 -43.8 47.1 78.0 61.6 74 76 A I H X>S+ 0 0 0 -4,-2.1 4,-3.6 1,-0.2 5,-1.3 0.930 109.2 50.5 -56.4 -47.6 47.7 74.4 62.6 75 77 A D H <5S+ 0 0 67 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.860 113.5 45.0 -59.2 -36.6 51.4 75.0 62.5 76 78 A E H <5S+ 0 0 145 -4,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.740 119.2 41.9 -85.6 -22.1 51.0 78.1 64.8 77 79 A T H <5S+ 0 0 74 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.900 140.7 1.3 -84.4 -46.9 48.6 76.3 67.1 78 80 A F T <5S- 0 0 38 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.1 0.554 78.1-139.0-120.0 -17.8 50.4 72.9 67.4 79 81 A G S > - 0 0 91 -2,-0.3 3,-1.0 1,-0.1 4,-0.6 -0.718 22.2-118.3 -88.4 145.8 31.3 74.0 37.0 98 100 A E H >> S+ 0 0 119 -2,-0.3 3,-1.3 1,-0.2 4,-0.5 0.880 112.3 66.1 -53.5 -41.5 29.9 74.2 33.4 99 101 A L H >4 S+ 0 0 16 1,-0.2 3,-2.2 2,-0.2 4,-0.5 0.883 92.7 60.1 -36.6 -51.7 32.6 71.8 32.4 100 102 A E H <4 S+ 0 0 12 -3,-1.0 3,-0.4 1,-0.3 291,-0.3 0.648 87.6 72.3 -66.3 -25.1 31.0 69.0 34.5 101 103 A E H << S+ 0 0 36 -3,-1.3 -1,-0.3 -4,-0.6 290,-0.2 0.872 93.5 57.2 -53.5 -36.4 27.9 69.1 32.6 102 104 A T S << S- 0 0 3 -3,-2.2 288,-0.9 -4,-0.5 2,-0.3 0.804 120.2 -3.6 -75.1 -26.0 29.6 67.5 29.6 103 105 A H B >> -H 389 0C 2 -4,-0.5 3,-1.9 -3,-0.4 4,-0.8 -0.924 54.2-125.9-168.1 137.2 30.9 64.3 31.3 104 106 A W H 3> S+ 0 0 30 284,-1.9 4,-1.9 -2,-0.3 3,-0.4 0.801 105.9 69.9 -50.9 -34.2 31.1 62.6 34.6 105 107 A D H 3> S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.770 92.4 58.0 -57.8 -30.5 34.9 62.3 34.3 106 108 A W H <> S+ 0 0 9 -3,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.879 104.8 49.9 -70.4 -39.7 35.3 66.1 34.8 107 109 A T H X S+ 0 0 8 -4,-0.8 4,-3.0 -3,-0.4 5,-0.3 0.956 113.1 46.8 -55.9 -48.3 33.5 65.9 38.2 108 110 A M H X S+ 0 0 9 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.913 112.3 51.2 -63.7 -44.8 35.9 63.0 39.2 109 111 A N H X S+ 0 0 14 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.949 111.8 45.0 -55.0 -55.9 38.8 65.0 37.9 110 112 A I H X S+ 0 0 44 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.923 117.8 45.0 -54.1 -45.4 37.9 68.2 39.8 111 113 A N H X S+ 0 0 1 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.882 112.3 49.8 -72.2 -36.5 37.3 66.1 43.0 112 114 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.3 -1,-0.2 0.922 109.3 54.3 -66.4 -40.4 40.4 63.9 42.7 113 115 A K H X S+ 0 0 82 -4,-2.6 4,-2.9 -5,-0.3 -1,-0.2 0.906 106.2 50.8 -57.9 -39.9 42.4 67.1 42.2 114 116 A A H X S+ 0 0 20 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.957 109.9 50.1 -67.2 -44.7 41.0 68.5 45.5 115 117 A L H X S+ 0 0 7 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.931 113.5 46.4 -55.3 -45.1 41.9 65.4 47.3 116 118 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.907 109.7 52.2 -65.3 -46.2 45.4 65.6 45.9 117 119 A F H X S+ 0 0 55 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.928 112.6 46.1 -56.3 -45.6 45.9 69.4 46.7 118 120 A C H X S+ 0 0 12 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.934 111.8 50.3 -64.7 -45.0 44.9 68.9 50.3 119 121 A A H X S+ 0 0 0 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.879 111.2 48.8 -63.2 -38.7 47.1 65.8 50.8 120 122 A Q H X S+ 0 0 79 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.889 111.5 49.0 -67.4 -41.7 50.1 67.6 49.3 121 123 A E H >X S+ 0 0 17 -4,-2.0 4,-1.0 1,-0.2 3,-1.0 0.978 111.2 49.9 -61.5 -57.2 49.6 70.7 51.5 122 124 A A H 3X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 3,-0.4 0.835 105.5 59.9 -42.4 -37.9 49.3 68.5 54.6 123 125 A A H 3X S+ 0 0 4 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.835 96.3 59.2 -70.4 -31.0 52.5 66.8 53.5 124 126 A K H << S+ 0 0 89 -4,-1.3 -1,-0.2 -3,-1.0 -2,-0.2 0.851 113.3 38.4 -63.7 -35.5 54.5 70.0 53.7 125 127 A L H >X S+ 0 0 14 -4,-1.0 3,-2.1 -3,-0.4 4,-0.6 0.927 112.8 54.5 -76.8 -55.9 53.6 70.3 57.4 126 128 A M H ><>S+ 0 0 0 -4,-2.6 5,-1.6 1,-0.3 3,-1.3 0.858 97.7 65.2 -44.6 -40.6 53.9 66.6 58.4 127 129 A E G ><5S+ 0 0 74 -4,-2.0 3,-0.7 1,-0.3 -1,-0.3 0.692 91.8 64.6 -69.9 -11.9 57.4 66.4 57.0 128 130 A K G <45S+ 0 0 153 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.793 107.3 40.9 -65.7 -35.3 58.5 68.9 59.7 129 131 A N G <<5S- 0 0 32 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 -0.086 133.3 -85.2-104.5 33.5 57.7 66.4 62.5 130 132 A G T < 5S- 0 0 58 -3,-0.7 -3,-0.2 45,-0.0 -2,-0.1 0.851 74.1 -79.7 64.2 40.5 59.0 63.2 60.6 131 133 A G < - 0 0 4 -5,-1.6 2,-0.3 -8,-0.1 44,-0.3 -0.268 51.1-169.3 70.2-156.0 55.9 62.4 58.5 132 134 A G E - e 0 175A 14 42,-1.5 44,-3.2 2,-0.0 2,-0.4 -0.912 32.9 -47.8 160.7-143.7 52.8 60.6 59.6 133 135 A H E -de 83 176A 24 -51,-2.7 -49,-2.4 -2,-0.3 2,-0.4 -0.974 31.5-166.8-129.9 142.3 49.7 59.1 58.0 134 136 A I E -de 84 177A 0 42,-3.1 44,-2.4 -2,-0.4 2,-0.5 -0.991 6.0-176.6-125.1 126.1 47.1 60.2 55.4 135 137 A V E -de 85 178A 3 -51,-2.3 -49,-1.3 -2,-0.4 2,-0.5 -0.972 10.3-157.7-119.2 120.0 43.9 58.4 54.8 136 138 A S E -de 86 179A 0 42,-2.2 44,-2.5 -2,-0.5 2,-0.3 -0.782 12.8-169.9 -89.4 132.4 41.6 59.6 52.0 137 139 A I E +de 87 180A 1 -51,-2.4 -49,-3.0 -2,-0.5 2,-0.3 -0.931 7.0 175.4-124.3 152.9 38.0 58.6 52.4 138 140 A S E +de 88 181A 0 42,-1.7 44,-2.0 -2,-0.3 -49,-0.3 -1.000 14.4 176.0-157.0 147.8 35.2 59.0 49.9 139 141 A S E - e 0 182A 12 -51,-1.5 2,-0.4 -2,-0.3 -48,-0.2 -0.986 26.7-140.5-150.4 148.3 31.6 58.2 49.2 140 142 A L + 0 0 15 42,-0.6 212,-2.4 -2,-0.3 213,-0.2 -0.507 35.1 170.2-109.6 60.2 29.3 59.1 46.4 141 143 A G - 0 0 23 -2,-0.4 211,-1.1 210,-0.2 -1,-0.1 0.794 47.0 -42.5 -26.3-124.6 26.1 59.8 48.4 142 144 A S - 0 0 45 209,-0.2 9,-0.3 210,-0.1 208,-0.1 0.027 31.6-127.5-105.0-153.9 23.5 61.4 46.1 143 145 A I + 0 0 51 206,-0.2 208,-0.0 7,-0.1 206,-0.0 -0.250 44.6 153.6-150.2 44.1 22.8 64.0 43.3 144 146 A R S S+ 0 0 107 1,-0.2 6,-0.1 205,-0.1 5,-0.0 0.728 72.6 10.1 -37.4 -38.6 20.0 66.0 45.0 145 147 A Y - 0 0 103 4,-0.3 2,-0.4 1,-0.0 -1,-0.2 0.773 54.2-179.3-125.5 -41.5 20.5 69.3 43.1 146 148 A L + 0 0 19 3,-0.8 3,-0.2 1,-0.2 4,-0.1 0.436 58.7 107.8 19.5 15.7 22.8 69.5 40.2 147 149 A E S S- 0 0 146 -2,-0.4 2,-0.3 1,-0.4 -1,-0.2 0.028 118.5 -44.6 -91.1 42.4 22.0 73.3 39.9 148 150 A N S S+ 0 0 53 1,-0.3 -1,-0.4 -54,-0.1 -51,-0.0 -0.414 121.2 94.4 100.5 172.0 25.5 73.7 41.2 149 151 A Y + 0 0 87 -55,-0.5 -3,-0.8 -2,-0.3 -1,-0.3 0.883 40.8 151.4 68.0 97.9 25.9 71.3 44.0 150 152 A T B -G 94 0B 11 -56,-1.8 -56,-2.2 -5,-0.1 -1,-0.1 -0.900 48.9 -76.0-136.3 168.3 27.3 68.1 43.3 151 153 A T - 0 0 17 -9,-0.3 -58,-0.1 -2,-0.3 -1,-0.1 -0.117 17.0-146.5 -50.5 153.0 29.4 65.7 45.5 152 154 A V + 0 0 10 -60,-0.3 -37,-0.1 -13,-0.2 -1,-0.1 0.294 68.0 116.6 -96.0 0.6 33.1 66.2 46.5 153 155 A G - 0 0 0 -14,-0.2 2,-0.3 -15,-0.1 -42,-0.2 -0.252 54.3-147.0 -67.4 154.8 33.3 62.3 46.4 154 156 A V - 0 0 1 -66,-0.1 2,-0.1 -43,-0.1 -2,-0.1 -0.842 20.9-106.6-112.2 160.1 35.5 60.3 44.0 155 157 A S > - 0 0 22 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.369 34.6-107.2 -74.0 164.8 34.9 57.0 42.4 156 158 A K H > S+ 0 0 78 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.900 119.3 53.4 -59.2 -40.7 36.9 54.0 43.6 157 159 A A H > S+ 0 0 41 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.955 112.8 42.0 -63.3 -51.1 39.0 54.0 40.4 158 160 A A H > S+ 0 0 12 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.887 116.1 50.6 -62.7 -38.9 40.1 57.7 40.8 159 161 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.951 111.6 48.0 -63.2 -48.3 40.6 57.1 44.5 160 162 A E H X S+ 0 0 52 -4,-3.3 4,-2.8 2,-0.2 5,-0.3 0.951 115.0 44.8 -54.1 -50.2 42.7 54.1 43.8 161 163 A A H X S+ 0 0 18 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.924 114.4 48.2 -69.6 -41.8 44.8 55.9 41.2 162 164 A L H X S+ 0 0 2 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.903 114.0 46.4 -61.2 -42.1 45.2 59.0 43.4 163 165 A T H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.908 110.6 51.3 -77.6 -32.1 46.2 57.0 46.5 164 166 A R H X S+ 0 0 153 -4,-2.8 4,-1.8 -5,-0.3 5,-0.2 0.971 112.0 49.8 -56.7 -51.0 48.7 54.8 44.6 165 167 A Y H X S+ 0 0 42 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.962 110.8 48.1 -54.2 -54.2 50.2 58.0 43.2 166 168 A L H X S+ 0 0 2 -4,-2.7 4,-2.0 2,-0.2 5,-0.3 0.869 105.6 57.8 -54.5 -40.8 50.5 59.7 46.7 167 169 A A H X S+ 0 0 7 -4,-2.2 4,-3.0 1,-0.2 3,-0.2 0.973 109.7 44.4 -62.9 -45.4 52.1 56.6 48.3 168 170 A V H < S+ 0 0 103 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.816 116.0 47.4 -63.6 -31.3 55.0 56.7 45.8 169 171 A E H < S+ 0 0 85 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.853 125.3 28.6 -72.9 -31.1 55.4 60.5 46.1 170 172 A L H ><>S+ 0 0 7 -4,-2.0 3,-2.4 -3,-0.2 5,-1.8 0.558 91.8 85.7-116.6 -20.0 55.3 60.5 49.9 171 173 A S G ><5S+ 0 0 36 -4,-3.0 3,-1.7 -5,-0.3 -3,-0.1 0.896 89.7 61.3 -50.2 -40.3 56.7 57.2 51.2 172 174 A P G 3 5S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.458 104.2 48.3 -65.8 0.4 60.1 59.0 50.8 173 175 A K G < 5S- 0 0 79 -3,-2.4 -2,-0.2 2,-0.2 3,-0.1 0.197 121.4-105.0-119.5 8.1 59.0 61.6 53.4 174 176 A Q T < 5S+ 0 0 129 -3,-1.7 -42,-1.5 1,-0.2 2,-0.6 0.768 74.5 140.0 70.4 30.7 57.7 59.0 55.9 175 177 A I E < -e 132 0A 0 -5,-1.8 2,-0.7 -44,-0.3 -1,-0.2 -0.917 44.6-147.4-107.8 120.1 54.1 59.7 55.2 176 178 A I E -e 133 0A 11 -44,-3.2 -42,-3.1 -2,-0.6 2,-0.5 -0.813 18.8-164.8 -89.0 111.5 52.0 56.5 55.1 177 179 A V E +e 134 0A 0 -2,-0.7 52,-2.8 -44,-0.2 53,-0.3 -0.874 21.7 141.6-108.7 118.6 49.1 57.0 52.5 178 180 A N E -e 135 0A 4 -44,-2.4 -42,-2.2 -2,-0.5 2,-0.3 -0.753 26.7-145.8-134.6-173.4 46.0 54.8 52.2 179 181 A A E -ef 136 231A 0 51,-1.7 53,-2.4 -44,-0.3 2,-0.4 -0.992 6.5-153.5-153.4 158.4 42.2 55.2 51.4 180 182 A V E -ef 137 232A 0 -44,-2.5 -42,-1.7 -2,-0.3 2,-0.4 -0.999 13.3-172.4-137.5 137.2 38.8 54.0 52.2 181 183 A S E +ef 138 233A 16 51,-2.4 53,-2.3 -2,-0.4 2,-0.2 -0.941 43.8 76.8-128.4 141.5 35.8 54.1 49.8 182 184 A G E -ef 139 234A 5 -44,-2.0 -42,-0.6 -2,-0.4 53,-0.1 -0.756 54.6-152.7 166.0-103.6 32.1 53.3 50.6 183 185 A G - 0 0 9 51,-0.6 24,-0.2 -2,-0.2 -43,-0.1 0.191 16.8-109.1 110.0 134.3 29.9 55.5 52.6 184 186 A A 0 0 34 22,-0.1 24,-0.2 1,-0.0 -2,-0.1 -0.236 360.0 360.0 -84.0-179.4 26.9 54.8 54.7 185 187 A I 0 0 69 22,-0.6 24,-0.1 -2,-0.1 166,-0.1 -0.952 360.0 360.0-130.7 360.0 23.3 55.7 53.9 186 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 187 195 A F > 0 0 123 0, 0.0 3,-0.9 0, 0.0 -43,-0.0 0.000 360.0 360.0 360.0 166.9 15.2 65.4 52.5 188 196 A P T 3 + 0 0 85 0, 0.0 5,-0.1 0, 0.0 0, 0.0 -0.018 360.0 34.7 -67.1 168.6 11.6 64.1 52.3 189 197 A N T >> S+ 0 0 111 3,-0.1 3,-2.1 4,-0.0 4,-2.0 0.396 75.6 153.1 61.6 -0.0 10.5 60.4 52.1 190 198 A R H <> S+ 0 0 144 -3,-0.9 4,-1.3 1,-0.3 5,-0.1 0.721 70.8 42.2 -17.2 -55.5 13.6 60.1 54.4 191 199 A E H 3> S+ 0 0 121 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.846 113.5 52.0 -70.0 -36.8 12.0 56.9 55.9 192 200 A D H <> S+ 0 0 108 -3,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.842 108.3 49.0 -73.8 -34.3 10.8 55.5 52.5 193 201 A L H X S+ 0 0 32 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.860 112.4 51.4 -69.7 -34.3 14.1 55.8 50.8 194 202 A L H X S+ 0 0 61 -4,-1.3 4,-2.3 -5,-0.4 -2,-0.2 0.868 109.6 47.0 -71.1 -40.7 15.7 54.0 53.8 195 203 A E H X S+ 0 0 102 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.875 111.3 53.1 -66.6 -36.8 13.2 51.1 53.8 196 204 A D H X S+ 0 0 38 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.928 112.5 44.8 -57.0 -49.6 13.8 50.8 49.9 197 205 A A H < S+ 0 0 0 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.843 111.8 53.8 -64.5 -38.9 17.5 50.6 50.7 198 206 A R H >< S+ 0 0 133 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.887 109.7 45.5 -62.3 -43.1 16.9 48.1 53.6 199 207 A Q H 3< S+ 0 0 172 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.699 111.5 53.2 -76.1 -20.3 14.9 45.6 51.5 200 208 A N T 3< S+ 0 0 69 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.522 98.9 76.7 -90.2 -6.4 17.4 45.8 48.6 201 209 A T S < S- 0 0 17 -3,-0.6 5,-0.1 -4,-0.5 3,-0.1 -0.874 91.8-105.1-104.3 134.2 20.4 44.9 50.9 202 210 A P > - 0 0 35 0, 0.0 3,-1.9 0, 0.0 -2,-0.1 -0.239 53.2 -92.2 -52.4 143.7 21.2 41.4 52.2 203 211 A A T 3 S+ 0 0 99 1,-0.3 -4,-0.0 2,-0.1 -5,-0.0 -0.265 111.7 18.5 -58.9 148.8 20.3 41.3 55.8 204 212 A G T 3 S+ 0 0 91 1,-0.1 -1,-0.3 -3,-0.1 32,-0.0 0.399 103.5 94.8 74.9 -2.3 23.1 42.2 58.1 205 213 A R < + 0 0 79 -3,-1.9 2,-0.7 2,-0.1 33,-0.2 -0.049 42.6 121.2-118.8 32.7 25.1 43.9 55.3 206 214 A M - 0 0 55 -5,-0.1 2,-0.1 32,-0.0 30,-0.1 -0.867 59.5-132.1 -93.6 117.3 24.2 47.6 55.6 207 215 A V - 0 0 15 -2,-0.7 -22,-0.6 28,-0.2 2,-0.3 -0.463 22.7-164.6 -67.5 143.9 27.3 49.7 56.2 208 216 A E >> - 0 0 110 -24,-0.2 3,-0.9 -2,-0.1 4,-0.9 -0.748 35.5-102.0-120.3 167.5 27.2 52.2 59.0 209 217 A I H >> S+ 0 0 69 -2,-0.3 4,-2.2 1,-0.2 3,-0.7 0.855 118.3 60.4 -56.8 -39.5 29.5 55.1 59.7 210 218 A K H 3> S+ 0 0 100 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.766 96.6 62.1 -67.1 -23.7 31.4 53.2 62.4 211 219 A D H <> S+ 0 0 44 -3,-0.9 4,-1.3 2,-0.2 -1,-0.3 0.885 108.1 41.4 -68.0 -39.4 32.4 50.6 59.9 212 220 A M H < S+ 0 0 94 -4,-3.3 3,-0.8 1,-0.2 5,-0.4 0.954 111.2 50.1 -48.9 -52.9 43.1 50.4 61.9 219 227 A L H 3< S+ 0 0 2 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.780 112.9 47.3 -64.5 -22.2 45.1 52.1 59.1 220 228 A V H 3< S+ 0 0 8 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.670 93.4 88.6-100.1 -13.2 46.2 54.8 61.5 221 229 A S S X< S- 0 0 36 -4,-1.5 3,-0.8 -3,-0.8 -3,-0.0 -0.234 97.3-103.0 -67.4 167.1 47.4 52.6 64.4 222 230 A S T 3 S+ 0 0 103 1,-0.2 3,-0.3 2,-0.1 -1,-0.1 0.303 111.1 84.2 -79.9 16.1 50.9 51.4 64.3 223 231 A K T 3 S+ 0 0 171 -5,-0.4 -1,-0.2 1,-0.2 -3,-0.1 0.172 92.2 42.5 -92.5 17.0 49.5 48.0 63.2 224 232 A A X + 0 0 2 -3,-0.8 3,-1.8 -5,-0.1 -1,-0.2 0.104 67.6 122.0-149.9 20.9 49.4 49.0 59.5 225 233 A D T 3 S+ 0 0 59 -3,-0.3 -2,-0.1 1,-0.3 -3,-0.1 0.689 77.8 54.4 -73.9 -13.1 52.6 50.8 58.9 226 234 A M T 3 S+ 0 0 161 -50,-0.1 2,-0.7 2,-0.0 -1,-0.3 0.436 83.2 97.2-100.1 -1.6 53.5 48.4 56.2 227 235 A I < + 0 0 49 -3,-1.8 2,-0.4 -8,-0.1 -3,-0.1 -0.829 57.2 179.4 -86.2 114.3 50.2 48.9 54.2 228 236 A R - 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