==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-DEC-11 3V1U . COMPND 2 MOLECULE: 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR D.DUTTA,S.BHATTACHARYYA,A.K.DAS . 416 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17450.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 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 . 30 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 1 0 1 1 1 1 1 3 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 3 3 2 1 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 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 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 29 A P 0 0 163 0, 0.0 118,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 111.2 61.2 5.5 -11.3 2 30 A Q - 0 0 169 1,-0.0 118,-0.2 0, 0.0 2,-0.1 -0.925 360.0-109.0-128.8 133.8 61.4 2.3 -9.2 3 31 A P - 0 0 41 0, 0.0 2,-0.1 0, 0.0 377,-0.1 -0.320 34.7-134.2 -67.0 132.7 58.9 -0.8 -8.7 4 32 A E - 0 0 42 375,-0.4 2,-0.9 -2,-0.1 117,-0.1 -0.443 20.2-106.3 -82.6 155.9 57.2 -1.2 -5.3 5 33 A T - 0 0 115 -2,-0.1 2,-0.4 115,-0.0 -1,-0.1 -0.752 45.2-135.9 -71.9 109.7 56.8 -4.2 -3.1 6 34 A L - 0 0 12 -2,-0.9 2,-0.6 1,-0.1 115,-0.1 -0.616 8.7-131.3 -78.2 126.1 53.1 -4.8 -3.8 7 35 A R - 0 0 35 -2,-0.4 2,-0.2 114,-0.1 146,-0.2 -0.661 30.4-170.0 -77.0 119.7 51.2 -5.5 -0.7 8 36 A R - 0 0 64 -2,-0.6 143,-0.2 1,-0.1 142,-0.1 -0.534 34.3 -67.3-103.3 174.6 49.0 -8.6 -1.3 9 37 A Y + 0 0 54 141,-0.4 2,-0.3 -2,-0.2 -1,-0.1 -0.320 50.3 168.9 -63.9 142.2 46.3 -10.1 0.8 10 38 A R > - 0 0 155 3,-0.1 3,-1.8 4,-0.1 140,-0.1 -0.865 39.9-105.8-151.6 125.4 47.1 -11.6 4.2 11 39 A A T 3 S+ 0 0 77 -2,-0.3 163,-0.0 1,-0.2 -2,-0.0 -0.111 101.2 17.4 -55.0 131.8 44.5 -12.7 6.8 12 40 A G T 3 S+ 0 0 78 1,-0.4 -1,-0.2 162,-0.0 162,-0.0 0.009 93.6 115.2 98.6 -29.1 44.2 -10.4 9.8 13 41 A E S < S- 0 0 77 -3,-1.8 -1,-0.4 1,-0.1 -3,-0.1 -0.339 79.0 -95.1 -68.6 157.5 46.0 -7.4 8.3 14 42 A P - 0 0 84 0, 0.0 -1,-0.1 0, 0.0 136,-0.1 -0.473 29.8-120.7 -73.1 150.5 43.9 -4.2 7.8 15 43 A P S S+ 0 0 43 0, 0.0 2,-0.3 0, 0.0 135,-0.1 0.859 97.5 37.0 -60.1 -35.0 42.4 -3.8 4.3 16 44 A L S S- 0 0 11 2,-0.2 35,-0.1 133,-0.1 67,-0.1 -0.861 74.1-134.4-117.7 152.3 44.3 -0.5 3.8 17 45 A T S S+ 0 0 68 -2,-0.3 2,-0.2 64,-0.3 64,-0.1 0.537 89.3 2.2 -74.0 -10.0 47.8 0.7 4.9 18 46 A G S S- 0 0 17 62,-0.1 23,-0.4 1,-0.1 31,-0.2 -0.713 98.6 -43.6-155.5-160.5 46.2 4.0 6.2 19 47 A S E -a 49 0A 15 29,-1.1 31,-2.2 28,-0.4 32,-1.6 -0.521 47.0-125.9 -89.5 160.2 43.1 6.0 6.7 20 48 A L E -ab 51 42A 0 21,-2.2 23,-1.9 30,-0.2 2,-0.4 -0.909 19.0-167.5-109.7 108.8 40.3 6.4 4.1 21 49 A L E -a 52 0A 30 30,-1.5 32,-1.8 -2,-0.6 2,-0.4 -0.811 1.5-166.9 -91.3 135.1 39.1 9.9 3.0 22 50 A I E +a 53 0A 1 -2,-0.4 32,-0.2 21,-0.3 11,-0.1 -0.646 22.3 157.3-126.2 75.1 35.8 10.1 1.1 23 51 A G E +a 54 0A 11 30,-0.6 32,-2.1 -2,-0.4 2,-0.1 0.126 23.1 75.4 -81.8-160.9 35.3 13.5 -0.6 24 52 A G E S-a 55 0A 32 30,-0.3 2,-0.3 43,-0.1 32,-0.2 -0.293 71.5 -93.2 85.1-171.4 33.2 14.8 -3.5 25 53 A A + 0 0 65 30,-1.5 33,-1.6 -2,-0.1 2,-0.3 -0.997 64.9 65.2-147.3 135.0 29.5 15.4 -3.6 26 54 A G S > S- 0 0 36 -2,-0.3 4,-0.6 31,-0.2 3,-0.3 -0.930 91.2 -36.2 148.8-167.0 26.4 13.4 -4.6 27 55 A R T 4 S+ 0 0 82 -2,-0.3 -1,-0.0 1,-0.2 -2,-0.0 0.341 124.9 48.7 -70.1 5.3 24.3 10.3 -3.8 28 56 A V T > S+ 0 0 3 60,-0.1 4,-2.0 2,-0.1 5,-0.2 0.779 87.2 73.5-118.1 -35.8 27.3 8.1 -2.8 29 57 A V H > S+ 0 0 17 -3,-0.3 4,-1.6 2,-0.2 5,-0.1 0.875 103.8 42.6 -46.3 -47.4 29.6 10.0 -0.3 30 58 A E H >X S+ 0 0 131 -4,-0.6 4,-2.0 2,-0.2 3,-0.7 0.999 116.3 41.3 -68.2 -66.7 27.2 9.7 2.6 31 59 A P H 3> S+ 0 0 33 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.728 113.6 57.7 -57.8 -22.5 25.9 6.0 2.3 32 60 A L H 3X S+ 0 0 10 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.900 104.4 48.8 -74.3 -47.9 29.5 4.9 1.6 33 61 A R H < S+ 0 0 76 -4,-2.0 3,-0.6 1,-0.2 4,-0.4 0.865 111.4 45.4 -53.5 -43.7 28.0 4.6 6.6 35 63 A A H 3< S+ 0 0 35 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.786 119.8 40.0 -76.9 -24.7 28.8 1.2 5.0 36 64 A L H 3X S+ 0 0 0 -4,-1.8 4,-1.1 -3,-0.3 -1,-0.2 0.210 85.8 92.3-109.7 11.2 32.5 1.5 5.6 37 65 A E T << S+ 0 0 138 -4,-0.7 5,-0.3 -3,-0.6 -1,-0.1 0.945 87.0 54.1 -63.5 -47.6 32.7 3.0 9.1 38 66 A K T 4 S+ 0 0 90 -4,-0.4 -2,-0.1 1,-0.2 -1,-0.1 0.903 120.6 23.2 -54.3 -59.1 32.9 -0.5 10.7 39 67 A D T 4 S+ 0 0 82 -4,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.509 116.2 65.4 -94.2 -9.6 35.9 -2.1 8.8 40 68 A Y S < S- 0 0 21 -4,-1.1 2,-1.0 -25,-0.1 -21,-0.1 -0.745 79.9-118.4-115.2 166.0 37.8 1.0 7.7 41 69 A D - 0 0 104 -23,-0.4 -21,-2.2 -2,-0.3 2,-0.1 -0.775 41.4-154.4-103.7 85.1 39.6 3.8 9.4 42 70 A L B -b 20 0A 32 -2,-1.0 2,-0.4 -5,-0.3 -21,-0.2 -0.322 16.7 -92.9 -69.7 140.1 37.7 6.9 8.4 43 71 A V 0 0 44 -23,-1.9 -21,-0.3 -2,-0.1 -1,-0.1 -0.779 360.0 360.0 -90.2 140.8 39.0 10.5 8.2 44 72 A G 0 0 117 -2,-0.4 -24,-0.0 -23,-0.1 -23,-0.0 -0.491 360.0 360.0-132.9 360.0 39.0 12.6 10.1 45 ! 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 46 80 A A 0 0 123 0, 0.0 2,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -29.0 46.5 15.0 8.5 47 81 A D - 0 0 133 1,-0.1 -28,-0.4 31,-0.0 31,-0.0 -0.970 360.0 -45.6-139.1 134.7 48.5 11.7 8.3 48 82 A S - 0 0 63 -2,-0.4 -29,-1.1 1,-0.1 2,-0.3 0.721 60.7-135.3 2.8 105.0 49.5 9.1 5.6 49 83 A F E -ac 19 79A 11 29,-2.7 31,-4.2 -31,-0.2 -29,-0.2 -0.546 20.2-171.9 -76.6 128.9 46.4 8.2 3.4 50 84 A G E S+ 0 0 0 -31,-2.2 34,-1.1 -2,-0.3 -33,-0.3 0.664 75.3 7.8 -91.0 -19.2 45.7 4.6 2.6 51 85 A G E -ac 20 84A 0 -32,-1.6 -30,-1.5 32,-0.2 2,-0.4 -0.782 55.8-157.9-169.2 122.4 42.9 5.5 0.2 52 86 A L E -ac 21 85A 0 32,-0.8 34,-1.9 -2,-0.2 2,-0.4 -0.839 15.6-174.4 -97.3 136.6 41.2 8.5 -1.5 53 87 A V E -ac 22 86A 2 -32,-1.8 -30,-0.6 -2,-0.4 2,-0.5 -0.963 5.7-165.4-137.9 116.4 37.6 8.2 -2.8 54 88 A F E -ac 23 87A 9 32,-2.1 34,-2.4 -2,-0.4 2,-0.6 -0.897 14.4-144.7-107.1 116.5 35.8 10.9 -4.8 55 89 A D E +ac 24 88A 3 -32,-2.1 -30,-1.5 -2,-0.5 34,-0.2 -0.732 24.4 173.4 -76.7 116.2 32.0 10.7 -5.3 56 90 A A > + 0 0 0 32,-3.3 3,-2.9 -2,-0.6 33,-0.2 0.556 50.4 98.0-105.1 -10.7 31.6 12.1 -8.8 57 91 A T T 3 S+ 0 0 12 31,-0.7 -31,-0.2 1,-0.3 -1,-0.1 0.754 74.6 67.1 -57.7 -30.8 27.9 11.5 -9.2 58 92 A G T 3 S+ 0 0 33 -33,-1.6 2,-0.5 -3,-0.2 -1,-0.3 0.742 75.3 99.9 -56.0 -27.8 27.2 15.1 -8.2 59 93 A I < + 0 0 14 -3,-2.9 45,-0.1 -34,-0.2 44,-0.1 -0.517 40.5 164.5 -75.9 118.2 28.9 16.4 -11.4 60 94 A T + 0 0 58 -2,-0.5 -1,-0.2 1,-0.2 42,-0.1 0.541 60.2 29.4-116.8 -11.5 26.1 17.2 -13.9 61 95 A E S > S- 0 0 88 39,-0.1 3,-2.4 41,-0.1 4,-0.4 -0.977 86.0-104.0-146.7 156.2 27.8 19.3 -16.5 62 96 A P G > S+ 0 0 56 0, 0.0 3,-1.4 0, 0.0 4,-0.1 0.737 116.5 64.0 -52.9 -31.0 31.3 19.5 -17.9 63 97 A A G > S+ 0 0 92 1,-0.3 3,-1.1 2,-0.1 4,-0.1 0.774 92.0 69.0 -64.6 -25.0 32.1 22.7 -15.9 64 98 A G G X S+ 0 0 31 -3,-2.4 3,-3.0 1,-0.2 -1,-0.3 0.792 73.1 86.5 -59.2 -29.7 31.6 20.5 -12.8 65 99 A L G X> + 0 0 44 -3,-1.4 3,-1.2 -4,-0.4 4,-0.7 0.543 65.3 82.6 -59.8 -10.1 34.8 18.6 -13.5 66 100 A K H <> S+ 0 0 46 -3,-1.1 4,-1.7 1,-0.2 3,-0.5 0.801 76.3 78.7 -55.3 -30.1 36.9 21.2 -11.6 67 101 A G H <> S+ 0 0 16 -3,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.789 86.6 52.8 -46.4 -39.6 35.7 19.1 -8.6 68 102 A L H <> S+ 0 0 7 -3,-1.2 4,-2.7 1,-0.2 5,-0.3 0.899 108.8 51.4 -68.7 -41.5 38.3 16.3 -9.2 69 103 A H H X S+ 0 0 116 -4,-0.7 4,-1.7 -3,-0.5 -2,-0.2 0.875 109.5 48.4 -59.7 -41.9 41.1 18.9 -9.2 70 104 A E H < S+ 0 0 133 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.866 118.3 40.1 -74.2 -35.7 40.0 20.5 -6.0 71 105 A F H X S+ 0 0 29 -4,-1.8 4,-0.7 -5,-0.2 -2,-0.2 0.853 122.0 38.6 -79.5 -36.1 39.7 17.2 -4.2 72 106 A F H X S+ 0 0 3 -4,-2.7 4,-1.7 -5,-0.2 -3,-0.2 0.938 100.3 64.8 -88.7 -45.0 42.8 15.5 -5.6 73 107 A T H < S+ 0 0 86 -4,-1.7 4,-0.4 -5,-0.3 -1,-0.1 0.812 107.2 41.8 -51.7 -44.5 45.6 18.1 -5.9 74 108 A P H >4 S+ 0 0 90 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.991 118.5 43.4 -62.1 -58.7 46.0 18.8 -2.1 75 109 A V H >< S+ 0 0 21 -4,-0.7 3,-0.8 1,-0.2 -26,-0.2 0.617 91.9 82.8 -65.9 -17.3 45.7 15.2 -0.9 76 110 A L G >< S+ 0 0 44 -4,-1.7 3,-1.3 1,-0.3 -1,-0.2 0.846 84.9 55.3 -63.2 -42.3 47.9 13.4 -3.5 77 111 A R G < S+ 0 0 87 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 0.805 105.8 58.1 -58.8 -28.6 51.4 14.0 -2.0 78 112 A N G < S+ 0 0 59 -3,-0.8 -29,-2.7 -4,-0.3 2,-0.6 -0.078 78.2 125.9 -92.7 29.9 49.9 12.3 1.2 79 113 A L E < -c 49 0A 13 -3,-1.3 -29,-0.2 -31,-0.2 3,-0.1 -0.834 54.6-126.1 -99.6 123.4 49.0 9.0 -0.5 80 114 A G E > - 0 0 3 -31,-4.2 3,-1.4 -2,-0.6 39,-0.1 0.042 33.0 -75.6 -53.3 156.0 50.3 5.8 1.1 81 115 A R E 3 S+ 0 0 120 1,-0.3 -64,-0.3 -64,-0.1 40,-0.2 -0.382 121.2 3.9 -34.1 124.4 52.3 2.9 -0.2 82 116 A C E 3 S+ 0 0 2 38,-2.2 -1,-0.3 37,-0.2 -65,-0.2 0.839 96.3 168.9 50.1 43.8 49.9 0.8 -2.2 83 117 A G E < - 0 0 0 -3,-1.4 40,-2.5 37,-0.2 2,-0.5 -0.400 28.3-129.8 -82.8 167.7 47.1 3.2 -1.8 84 118 A R E -cd 51 123A 3 -34,-1.1 -32,-0.8 38,-0.2 2,-0.4 -0.969 13.8-165.9-131.8 113.8 43.9 3.1 -3.7 85 119 A V E +cd 52 124A 1 38,-3.8 40,-1.5 -2,-0.5 2,-0.4 -0.859 14.5 178.3 -94.2 132.5 42.2 6.0 -5.6 86 120 A V E -cd 53 125A 2 -34,-1.9 -32,-2.1 -2,-0.4 2,-0.5 -0.991 15.4-165.7-138.0 128.1 38.6 5.4 -6.6 87 121 A V E -cd 54 126A 0 38,-2.2 40,-2.6 -2,-0.4 2,-0.6 -0.976 12.9-157.9-108.4 123.6 36.2 7.8 -8.4 88 122 A V E +cd 55 127A 0 -34,-2.4 -32,-3.3 -2,-0.5 -31,-0.7 -0.927 22.8 162.7-105.8 121.0 32.6 6.7 -8.2 89 123 A G E - d 0 128A 0 38,-2.9 40,-2.6 -2,-0.6 2,-0.5 -0.618 39.1 -89.2-125.9-177.2 30.3 8.0 -10.9 90 124 A G E - d 0 129A 2 38,-0.3 40,-0.2 -2,-0.2 5,-0.1 -0.845 52.2 -92.1 -98.8 134.0 27.0 7.5 -12.5 91 125 A T > - 0 0 20 38,-1.0 3,-1.1 -2,-0.5 4,-0.1 -0.126 38.0-142.2 -35.0 114.8 26.5 5.1 -15.5 92 126 A P G > S+ 0 0 5 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.918 95.3 56.2 -60.9 -42.4 27.0 7.6 -18.4 93 127 A E G 3 S+ 0 0 132 1,-0.3 -2,-0.1 8,-0.1 8,-0.1 0.727 109.4 49.8 -52.0 -27.5 24.2 6.0 -20.7 94 128 A A G < S+ 0 0 52 -3,-1.1 -1,-0.3 7,-0.1 -3,-0.1 0.239 80.9 128.4-105.5 12.3 21.7 6.4 -17.9 95 129 A A < - 0 0 23 -3,-1.8 3,-0.1 -4,-0.1 -35,-0.0 -0.124 64.4-124.1 -70.3 168.3 22.3 10.0 -17.0 96 130 A A S S+ 0 0 99 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.694 91.5 22.5 -92.1 -21.5 19.4 12.5 -16.8 97 131 A S S > S- 0 0 53 1,-0.1 4,-2.0 -37,-0.1 3,-0.4 -0.947 77.2-117.7-139.3 161.2 20.8 14.9 -19.3 98 132 A T H > S+ 0 0 107 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.891 115.4 60.9 -63.6 -42.7 23.4 14.8 -22.1 99 133 A N H > S+ 0 0 74 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.858 105.9 45.6 -49.2 -40.6 25.5 17.2 -20.1 100 134 A E H > S+ 0 0 25 -3,-0.4 4,-2.9 2,-0.2 5,-0.3 0.914 110.4 53.5 -74.7 -42.0 25.8 14.7 -17.3 101 135 A R H X S+ 0 0 136 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.870 108.6 51.0 -56.6 -37.8 26.5 11.9 -19.7 102 136 A I H X S+ 0 0 95 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.897 113.0 44.9 -68.3 -41.6 29.4 14.0 -21.1 103 137 A A H X S+ 0 0 0 -4,-1.6 4,-0.6 -5,-0.2 -2,-0.2 0.913 113.0 48.0 -73.2 -42.6 30.9 14.7 -17.7 104 138 A Q H < S+ 0 0 0 -4,-2.9 3,-0.4 1,-0.2 4,-0.3 0.801 111.3 52.8 -69.1 -27.6 30.6 11.2 -16.3 105 139 A R H >< S+ 0 0 137 -4,-1.5 3,-1.4 -5,-0.3 4,-0.5 0.863 101.4 59.4 -71.5 -39.9 32.2 9.8 -19.5 106 140 A A H >X S+ 0 0 47 -4,-1.5 4,-1.1 1,-0.3 3,-0.5 0.683 86.8 78.2 -66.0 -17.4 35.1 12.1 -19.3 107 141 A L H 3X S+ 0 0 1 -4,-0.6 4,-2.7 -3,-0.4 -1,-0.3 0.824 82.0 64.5 -62.0 -34.0 36.0 10.7 -15.9 108 142 A E H <> S+ 0 0 46 -3,-1.4 4,-2.6 -4,-0.3 5,-0.3 0.903 100.3 52.4 -56.3 -43.3 37.6 7.6 -17.5 109 143 A G H <> S+ 0 0 41 -3,-0.5 4,-1.5 -4,-0.5 -1,-0.3 0.848 111.7 47.7 -59.5 -39.2 40.2 9.9 -19.1 110 144 A F H X S+ 0 0 56 -4,-1.1 4,-2.4 -3,-0.2 5,-0.2 0.940 112.3 45.7 -64.4 -56.2 40.9 11.3 -15.5 111 145 A T H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.913 115.7 46.6 -60.8 -40.9 41.2 8.0 -13.7 112 146 A R H X S+ 0 0 78 -4,-2.6 4,-0.7 -5,-0.2 -1,-0.2 0.868 112.5 49.1 -70.3 -37.2 43.5 6.4 -16.3 113 147 A S H >< S+ 0 0 74 -4,-1.5 3,-0.7 -5,-0.3 -2,-0.2 0.912 112.7 47.9 -66.9 -39.1 45.7 9.4 -16.6 114 148 A L H >X S+ 0 0 8 -4,-2.4 3,-2.7 1,-0.3 4,-2.1 0.879 101.0 63.9 -70.9 -36.7 46.2 9.6 -12.8 115 149 A G H 3< S+ 0 0 3 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.790 100.5 55.3 -50.7 -30.4 46.9 5.9 -12.5 116 150 A K T << S+ 0 0 135 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.379 110.9 44.0 -86.9 1.9 50.0 6.7 -14.6 117 151 A E T <4 S+ 0 0 139 -3,-2.7 -2,-0.2 2,-0.1 -1,-0.2 0.636 84.1 107.2-113.8 -34.6 51.1 9.4 -12.1 118 152 A L < - 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