==== 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 18-APR-05 1ZEJ . COMPND 2 MOLECULE: 3-HYDROXYACYL-COA DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 282 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15937.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 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 . 17 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 40.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 1 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 PARALLEL BRIDGES PER LADDER . 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 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 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 0 A H 0 0 120 0, 0.0 23,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 118.8 31.0 68.2 -11.9 2 1 A X - 0 0 39 21,-0.1 23,-2.4 61,-0.0 2,-0.4 -0.411 360.0-121.0-100.7 176.4 31.1 64.7 -13.5 3 2 A K E -a 25 0A 31 21,-0.2 61,-2.9 -2,-0.1 62,-0.9 -0.998 27.5-164.9-122.7 126.7 30.3 63.5 -17.1 4 3 A V E -ab 26 65A 0 21,-2.4 23,-2.5 -2,-0.4 2,-0.5 -0.947 11.2-145.1-118.5 130.8 27.5 60.9 -17.3 5 4 A F E -ab 27 66A 0 60,-2.5 62,-3.3 -2,-0.5 2,-0.5 -0.867 15.1-166.3 -96.5 125.4 26.8 58.7 -20.4 6 5 A V E -ab 28 67A 0 21,-3.5 23,-3.1 -2,-0.5 2,-0.7 -0.958 5.4-155.5-116.5 120.4 23.2 58.0 -20.9 7 6 A I E +ab 29 68A 5 60,-2.9 62,-3.1 -2,-0.5 23,-0.2 -0.861 63.7 35.8 -99.7 112.7 22.2 55.2 -23.4 8 7 A G - 0 0 5 21,-3.2 22,-0.2 -2,-0.7 21,-0.1 0.315 57.6-147.9 115.6 118.0 18.8 55.5 -24.9 9 8 A A + 0 0 7 4,-0.2 21,-0.1 19,-0.1 61,-0.1 0.044 60.9 114.4-105.6 23.5 17.0 58.7 -25.9 10 9 A G S > S- 0 0 43 59,-0.3 4,-2.8 4,-0.0 5,-0.3 -0.069 91.1 -71.2 -74.3-173.2 13.4 57.5 -25.2 11 10 A L H > S+ 0 0 92 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.889 134.1 43.4 -50.8 -46.5 11.3 59.0 -22.5 12 11 A X H > S+ 0 0 43 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.953 116.4 45.7 -72.3 -48.0 13.3 57.6 -19.6 13 12 A G H > S+ 0 0 1 56,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.913 114.3 49.6 -56.6 -47.7 16.8 58.3 -21.0 14 13 A R H X S+ 0 0 46 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.910 112.6 47.7 -55.8 -45.7 15.7 61.8 -22.0 15 14 A G H X S+ 0 0 1 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.885 110.8 50.1 -67.3 -40.1 14.4 62.3 -18.4 16 15 A I H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.911 109.5 52.1 -63.3 -43.8 17.5 61.0 -16.8 17 16 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.924 110.7 48.6 -59.9 -40.6 19.7 63.3 -19.0 18 17 A I H X S+ 0 0 11 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.917 111.6 49.0 -65.9 -44.7 17.5 66.2 -17.8 19 18 A A H >< S+ 0 0 7 -4,-2.5 3,-0.7 1,-0.2 4,-0.3 0.927 116.9 41.4 -59.2 -45.0 17.8 65.3 -14.1 20 19 A I H >X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 3,-1.8 0.843 102.4 66.6 -74.7 -34.9 21.6 64.9 -14.4 21 20 A A H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.644 83.3 77.5 -67.1 -14.9 22.2 68.0 -16.5 22 21 A S T << S+ 0 0 58 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.832 120.6 6.2 -55.7 -35.4 21.1 70.1 -13.6 23 22 A K T <4 S+ 0 0 93 -3,-1.8 2,-0.2 -4,-0.3 -2,-0.2 0.549 129.1 38.6-123.9 -19.1 24.5 69.5 -12.0 24 23 A H S < S- 0 0 22 -4,-2.5 2,-0.3 -23,-0.1 -21,-0.2 -0.769 78.6 -95.3-136.3 167.6 26.7 67.5 -14.5 25 24 A E E -a 3 0A 97 -23,-2.4 -21,-2.4 -2,-0.2 2,-0.4 -0.724 41.2-158.4 -84.3 145.5 27.6 67.2 -18.1 26 25 A V E -ac 4 51A 3 24,-3.1 26,-2.7 -2,-0.3 2,-0.5 -0.974 19.9-160.4-127.9 138.7 25.8 64.5 -20.1 27 26 A V E -ac 5 52A 3 -23,-2.5 -21,-3.5 -2,-0.4 2,-0.6 -0.979 18.0-163.0-107.5 118.7 26.4 62.6 -23.3 28 27 A L E -ac 6 53A 0 24,-3.3 26,-2.3 -2,-0.5 2,-0.3 -0.919 11.3-171.2-107.1 117.7 23.0 61.2 -24.5 29 28 A Q E +ac 7 54A 15 -23,-3.1 -21,-3.2 -2,-0.6 2,-0.3 -0.826 16.5 155.9-114.1 142.8 23.4 58.4 -27.0 30 29 A D - 0 0 29 24,-1.7 6,-0.1 -2,-0.3 -2,-0.0 -0.917 44.2-130.3-157.6 144.7 20.9 56.6 -29.3 31 30 A V S S+ 0 0 129 -2,-0.3 2,-0.7 1,-0.1 24,-0.1 0.723 95.3 77.2 -65.7 -20.3 21.4 54.7 -32.5 32 31 A S > - 0 0 46 1,-0.1 4,-1.8 -3,-0.0 3,-0.3 -0.830 60.5-167.8 -97.7 113.3 18.5 56.8 -33.9 33 32 A E H > S+ 0 0 131 -2,-0.7 4,-2.2 1,-0.2 -1,-0.1 0.783 93.4 58.6 -63.9 -28.6 19.3 60.4 -34.9 34 33 A K H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.884 105.1 49.0 -67.3 -41.3 15.5 61.0 -35.1 35 34 A A H > S+ 0 0 28 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.886 110.6 50.9 -63.3 -40.4 15.2 60.0 -31.4 36 35 A L H X S+ 0 0 13 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.885 111.1 48.2 -65.3 -41.4 18.1 62.3 -30.5 37 36 A E H X S+ 0 0 137 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.907 112.1 48.6 -65.6 -41.2 16.3 65.2 -32.4 38 37 A A H X S+ 0 0 45 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.921 112.3 50.1 -64.2 -41.2 13.0 64.5 -30.7 39 38 A A H >X S+ 0 0 3 -4,-2.5 3,-1.1 1,-0.2 4,-0.7 0.917 106.2 55.2 -60.6 -44.2 14.8 64.4 -27.3 40 39 A R H >< S+ 0 0 131 -4,-2.2 3,-0.7 1,-0.3 -1,-0.2 0.849 105.2 51.5 -61.9 -39.0 16.6 67.7 -28.0 41 40 A E H 3< S+ 0 0 149 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.628 109.7 51.1 -75.6 -12.8 13.3 69.5 -28.6 42 41 A Q H << S+ 0 0 109 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.489 91.2 94.9 -96.7 -5.2 11.9 68.2 -25.3 43 42 A I S << S- 0 0 10 -3,-0.7 5,-0.1 -4,-0.7 -28,-0.0 -0.694 89.1-101.1 -91.0 135.3 14.9 69.3 -23.2 44 43 A P >> - 0 0 47 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.278 31.0-125.7 -56.9 138.1 14.8 72.6 -21.3 45 44 A E G >4 S+ 0 0 168 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.853 106.3 59.3 -59.2 -37.7 16.8 75.2 -23.3 46 45 A E G 34 S+ 0 0 145 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.690 105.1 51.5 -62.3 -22.8 19.0 76.2 -20.4 47 46 A L G X4 S+ 0 0 30 -3,-2.0 3,-1.7 1,-0.2 4,-0.4 0.558 84.1 86.7 -89.5 -9.5 20.3 72.6 -20.1 48 47 A L G X< S+ 0 0 29 -3,-1.4 3,-1.0 -4,-0.5 -1,-0.2 0.787 80.0 63.6 -69.2 -24.3 21.2 72.1 -23.8 49 48 A S G 3 S+ 0 0 108 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.732 105.0 47.6 -68.2 -19.3 24.7 73.6 -23.1 50 49 A K G < S+ 0 0 60 -3,-1.7 -24,-3.1 -4,-0.1 2,-0.5 0.483 100.8 76.4 -98.8 -3.6 25.4 70.6 -20.8 51 50 A I E < -c 26 0A 12 -3,-1.0 2,-0.4 -4,-0.4 -24,-0.2 -0.947 56.9-163.7-118.7 125.3 24.1 67.7 -23.1 52 51 A E E -c 27 0A 70 -26,-2.7 -24,-3.3 -2,-0.5 2,-0.5 -0.897 13.6-149.9-100.3 133.1 26.0 66.2 -26.1 53 52 A F E +c 28 0A 43 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.912 29.5 155.8-101.4 134.4 23.8 64.2 -28.4 54 53 A T E -c 29 0A 16 -26,-2.3 -24,-1.7 -2,-0.5 -2,-0.0 -0.992 46.6-146.5-152.9 160.8 25.5 61.3 -30.3 55 54 A T S S+ 0 0 51 -2,-0.3 2,-0.2 -26,-0.2 -26,-0.1 0.496 81.3 68.0-103.6 -3.9 25.0 58.0 -32.0 56 55 A T S S- 0 0 68 1,-0.0 3,-0.3 -25,-0.0 -2,-0.0 -0.598 72.3-130.6-119.1 176.4 28.4 56.6 -31.0 57 56 A L > + 0 0 26 -2,-0.2 3,-1.7 1,-0.2 4,-0.4 0.255 68.7 110.3-112.2 10.7 30.3 55.4 -27.9 58 57 A E T 3 S+ 0 0 109 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.761 78.5 54.4 -63.8 -26.5 33.6 57.2 -28.1 59 58 A K T > S+ 0 0 62 -3,-0.3 3,-1.3 1,-0.2 4,-0.3 0.587 83.0 89.6 -84.3 -7.1 32.8 59.5 -25.1 60 59 A V G X S+ 0 0 0 -3,-1.7 3,-1.9 1,-0.3 -1,-0.2 0.899 84.1 54.6 -55.3 -43.9 32.0 56.5 -22.8 61 60 A K G 3 S+ 0 0 76 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.1 0.718 105.4 54.0 -66.5 -19.8 35.7 56.2 -21.7 62 61 A D G < S+ 0 0 105 -3,-1.3 -1,-0.3 -4,-0.2 2,-0.2 0.448 93.7 94.5 -85.9 -2.0 35.6 59.9 -20.7 63 62 A C < - 0 0 7 -3,-1.9 -59,-0.2 -4,-0.3 27,-0.2 -0.668 62.8-150.4-101.5 155.4 32.5 59.4 -18.4 64 63 A D S S+ 0 0 68 -61,-2.9 2,-0.3 1,-0.3 -60,-0.2 0.619 84.4 15.2 -92.3 -19.6 32.4 58.8 -14.7 65 64 A I E -b 4 0A 0 -62,-0.9 -60,-2.5 25,-0.2 2,-0.5 -0.974 66.3-146.2-155.0 139.3 29.1 56.8 -14.7 66 65 A V E -bd 5 92A 0 25,-2.5 27,-2.7 -2,-0.3 2,-0.5 -0.979 9.8-165.8-112.3 130.0 27.1 55.1 -17.4 67 66 A X E -bd 6 93A 2 -62,-3.3 -60,-2.9 -2,-0.5 2,-0.5 -0.977 7.2-159.5-112.6 124.9 23.2 55.0 -17.2 68 67 A E E +bd 7 94A 0 25,-2.7 27,-3.4 -2,-0.5 -60,-0.1 -0.913 21.1 164.0-108.4 124.8 21.5 52.6 -19.6 69 68 A A + 0 0 13 -62,-3.1 -56,-0.4 -2,-0.5 -59,-0.3 -0.363 27.3 136.0-134.6 58.4 17.8 53.1 -20.4 70 69 A V - 0 0 32 1,-0.2 7,-0.1 -58,-0.1 3,-0.1 -0.305 64.9 -41.6 -96.5-177.9 17.1 51.0 -23.5 71 70 A F - 0 0 156 1,-0.2 2,-1.9 -2,-0.1 -1,-0.2 -0.086 64.2-108.0 -46.0 137.0 14.2 48.6 -24.3 72 71 A E S S+ 0 0 58 -3,-0.1 2,-0.3 4,-0.1 -1,-0.2 -0.509 79.2 114.8 -71.4 77.3 13.1 46.4 -21.4 73 72 A D > - 0 0 62 -2,-1.9 4,-2.2 1,-0.1 5,-0.2 -0.973 65.2-133.1-150.3 132.0 14.4 43.1 -22.7 74 73 A L H > S+ 0 0 34 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.929 104.7 45.0 -55.4 -54.1 17.2 41.0 -21.2 75 74 A N H > S+ 0 0 112 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.865 113.0 51.2 -63.5 -35.7 19.2 40.3 -24.3 76 75 A T H > S+ 0 0 49 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.933 113.7 44.2 -66.2 -45.9 19.0 43.9 -25.5 77 76 A K H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.940 113.8 50.1 -64.6 -45.6 20.3 45.2 -22.2 78 77 A V H X S+ 0 0 16 -4,-2.9 4,-3.0 -5,-0.2 5,-0.2 0.922 109.5 52.7 -57.7 -45.9 23.0 42.6 -21.9 79 78 A E H X S+ 0 0 136 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.946 113.2 41.3 -58.0 -49.3 24.2 43.4 -25.5 80 79 A V H X S+ 0 0 25 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.918 116.7 49.4 -67.4 -41.7 24.6 47.2 -24.9 81 80 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.884 107.7 53.0 -67.0 -40.3 26.1 46.7 -21.4 82 81 A R H X S+ 0 0 95 -4,-3.0 4,-0.8 -5,-0.2 -1,-0.2 0.862 110.4 50.0 -61.0 -34.9 28.6 44.1 -22.7 83 82 A E H >< S+ 0 0 86 -4,-1.6 3,-0.6 -5,-0.2 4,-0.4 0.948 113.3 43.8 -66.6 -48.7 29.7 46.7 -25.3 84 83 A V H >X S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 4,-1.1 0.850 102.8 65.9 -69.3 -30.4 30.1 49.5 -22.9 85 84 A E H 3< S+ 0 0 12 -4,-2.5 -1,-0.2 1,-0.3 3,-0.2 0.816 97.9 55.1 -66.8 -24.7 31.9 47.4 -20.2 86 85 A R T << S+ 0 0 178 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.666 108.1 49.7 -71.4 -21.6 34.9 47.0 -22.6 87 86 A L T <4 S+ 0 0 77 -3,-1.6 2,-0.3 -4,-0.4 -2,-0.2 0.603 119.0 16.0 -96.7 -16.8 35.2 50.8 -23.0 88 87 A T < - 0 0 18 -4,-1.1 -1,-0.2 -3,-0.2 -27,-0.1 -0.997 47.7-145.6-155.0 155.8 35.2 51.8 -19.4 89 88 A N + 0 0 147 -2,-0.3 3,-0.1 -28,-0.1 -4,-0.1 0.231 65.6 122.4 -99.2 4.8 35.6 50.7 -15.8 90 89 A A S S- 0 0 11 -27,-0.2 -25,-0.2 1,-0.1 -2,-0.1 -0.246 78.4 -80.8 -60.1 157.5 33.0 53.2 -14.6 91 90 A P - 0 0 16 0, 0.0 -25,-2.5 0, 0.0 2,-0.5 -0.346 44.4-146.7 -57.4 139.1 29.9 52.1 -12.7 92 91 A L E -de 66 114A 0 21,-2.7 23,-2.2 -27,-0.2 2,-0.5 -0.971 14.4-169.1-115.4 126.7 27.3 50.8 -15.1 93 92 A C E -de 67 115A 1 -27,-2.7 -25,-2.7 -2,-0.5 2,-0.4 -0.933 7.2-158.0-127.4 109.4 23.7 51.5 -14.1 94 93 A S E -de 68 116A 0 21,-2.0 23,-2.4 -2,-0.5 2,-1.2 -0.714 14.5-142.5 -88.8 126.5 20.7 49.9 -15.8 95 94 A N + 0 0 13 -27,-3.4 2,-0.5 -2,-0.4 23,-0.2 -0.782 38.1 174.6 -79.1 98.4 17.3 51.7 -15.5 96 95 A T - 0 0 11 -2,-1.2 5,-0.1 1,-0.2 -27,-0.0 -0.966 27.9-167.1-119.0 124.6 15.4 48.4 -15.3 97 96 A S S S- 0 0 64 -2,-0.5 -1,-0.2 21,-0.1 66,-0.2 0.955 84.4 -26.2 -69.7 -59.4 11.7 48.3 -14.6 98 97 A V S S+ 0 0 112 2,-0.1 2,-0.1 64,-0.1 3,-0.1 0.499 98.5 118.3-135.6 -14.5 11.3 44.6 -13.8 99 98 A I S S- 0 0 41 1,-0.1 2,-0.2 2,-0.1 -26,-0.0 -0.462 76.6-103.8 -61.7 129.3 14.1 42.8 -15.7 100 99 A S > - 0 0 42 -2,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.353 19.6-150.2 -60.2 126.1 16.2 41.1 -13.0 101 100 A V H > S+ 0 0 3 60,-0.6 4,-3.1 1,-0.2 33,-0.2 0.841 99.8 55.7 -66.0 -31.8 19.5 42.8 -12.2 102 101 A D H > S+ 0 0 29 59,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.895 105.2 51.2 -67.0 -38.3 21.0 39.4 -11.2 103 102 A D H 4 S+ 0 0 70 2,-0.2 4,-0.3 1,-0.2 -2,-0.2 0.896 115.2 43.2 -67.6 -37.8 20.0 37.9 -14.6 104 103 A I H >< S+ 0 0 0 -4,-1.8 3,-2.0 1,-0.2 4,-0.3 0.967 113.0 52.2 -64.6 -51.4 21.7 40.9 -16.4 105 104 A A H >< S+ 0 0 0 -4,-3.1 3,-1.4 1,-0.3 -2,-0.2 0.827 101.4 59.1 -57.8 -38.5 24.8 40.8 -14.1 106 105 A E T 3< S+ 0 0 88 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.657 104.2 53.1 -70.6 -10.4 25.5 37.1 -14.6 107 106 A R T < S+ 0 0 100 -3,-2.0 -1,-0.3 -4,-0.3 2,-0.3 0.405 94.1 90.4-102.9 2.4 25.9 37.8 -18.3 108 107 A L S < S- 0 0 14 -3,-1.4 -26,-0.1 -4,-0.3 -30,-0.0 -0.652 72.7-136.1 -95.2 153.9 28.5 40.6 -17.9 109 108 A D S S+ 0 0 129 -2,-0.3 -1,-0.1 1,-0.2 -27,-0.0 0.825 102.2 26.3 -72.6 -34.7 32.2 40.2 -17.8 110 109 A S > + 0 0 31 1,-0.1 3,-1.3 2,-0.0 -1,-0.2 -0.532 67.2 160.0-133.7 69.5 32.7 42.6 -14.9 111 110 A P G > + 0 0 22 0, 0.0 3,-1.5 0, 0.0 23,-0.2 0.552 56.4 87.0 -74.9 -6.6 29.5 42.6 -12.8 112 111 A S G 3 S+ 0 0 53 1,-0.3 26,-2.9 25,-0.2 29,-0.3 0.779 97.5 40.3 -61.9 -23.7 31.1 44.0 -9.6 113 112 A R G < S+ 0 0 21 -3,-1.3 -21,-2.7 24,-0.2 2,-0.4 0.103 98.5 97.1-112.8 22.9 30.5 47.6 -10.9 114 113 A F E < +e 92 0A 0 -3,-1.5 20,-0.5 -23,-0.2 2,-0.3 -0.883 43.1 149.9-110.3 139.5 27.0 46.9 -12.4 115 114 A L E -e 93 0A 0 -23,-2.2 -21,-2.0 -2,-0.4 2,-0.4 -0.974 43.6-101.5-156.9 170.2 23.8 47.8 -10.6 116 115 A G E -eF 94 132A 0 16,-3.1 16,-2.4 -2,-0.3 2,-0.4 -0.751 24.4-168.0 -94.1 140.8 20.2 48.8 -11.3 117 116 A V E - 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