==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-JUL-07 2QHX . COMPND 2 MOLECULE: PTERIDINE REDUCTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR F.GIBELLINI,K.MCLUSKEY,L.TULLOCH,W.N.HUNTER . 1041 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37303.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 753 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 133 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 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 . 68 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 374 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.5 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 2 0 0 2 7 3 4 0 8 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 12 7 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 . 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 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 5 A T 0 0 162 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.2 11.5 30.9 31.6 2 6 A V - 0 0 73 1,-0.1 25,-0.1 88,-0.1 24,-0.1 -0.630 360.0-121.6 -88.0 129.6 8.8 31.1 34.3 3 7 A P - 0 0 40 0, 0.0 25,-2.8 0, 0.0 2,-0.4 -0.344 23.2-136.5 -74.0 155.5 9.6 31.5 38.0 4 8 A V E -a 28 0A 0 23,-0.2 91,-2.3 -2,-0.1 90,-2.2 -0.922 13.7-166.5-120.8 133.0 8.5 29.0 40.7 5 9 A A E -ab 29 95A 0 23,-2.7 25,-3.1 -2,-0.4 2,-0.6 -0.958 9.1-154.2-118.0 134.3 7.1 29.6 44.2 6 10 A L E -ab 30 96A 0 89,-3.0 91,-3.0 -2,-0.4 2,-0.5 -0.945 15.4-174.3-102.8 121.1 6.7 27.0 46.9 7 11 A V E > -ab 31 97A 0 23,-2.2 25,-2.5 -2,-0.6 3,-0.6 -0.970 12.6-148.2-118.5 115.7 3.9 27.9 49.3 8 12 A T T 3 S+ 0 0 2 89,-2.3 91,-0.2 -2,-0.5 25,-0.1 -0.597 82.9 15.3 -82.6 144.9 3.4 25.7 52.4 9 13 A G T 3 S+ 0 0 23 -2,-0.2 6,-0.4 90,-0.2 3,-0.3 0.925 82.5 154.2 57.7 48.9 -0.2 25.3 53.7 10 14 A A < + 0 0 0 22,-2.6 23,-0.2 -3,-0.6 9,-0.1 0.427 36.0 93.8 -89.3 -1.8 -1.5 26.6 50.4 11 15 A A S S- 0 0 6 21,-0.5 2,-0.2 4,-0.1 -1,-0.2 0.884 92.3 -7.3 -66.8 -43.8 -4.9 25.0 50.4 12 16 A K S >> S+ 0 0 97 -3,-0.3 4,-1.5 4,-0.0 3,-0.8 -0.791 103.8 12.7-142.5-178.9 -7.1 27.7 51.9 13 17 A R H 3> S- 0 0 130 -2,-0.2 4,-1.8 1,-0.2 5,-0.1 -0.124 122.5 -4.3 50.5-127.8 -7.3 31.1 53.6 14 18 A L H 3> S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.885 134.8 53.8 -68.6 -41.4 -4.0 33.1 53.5 15 19 A G H <> S+ 0 0 0 -3,-0.8 4,-2.8 -6,-0.4 -1,-0.2 0.888 110.2 48.1 -58.3 -42.7 -1.8 30.4 51.9 16 20 A R H X S+ 0 0 108 -4,-1.5 4,-3.1 -7,-0.2 -1,-0.2 0.915 111.4 50.0 -61.4 -45.1 -4.3 30.1 49.0 17 21 A S H X S+ 0 0 13 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.864 112.1 48.1 -64.0 -37.8 -4.4 33.9 48.6 18 22 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.933 112.5 48.2 -66.9 -47.1 -0.6 34.0 48.6 19 23 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.928 115.1 45.6 -57.0 -46.4 -0.6 31.2 46.0 20 24 A E H X S+ 0 0 50 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.904 112.0 51.5 -64.0 -43.7 -3.2 33.0 43.9 21 25 A G H X S+ 0 0 12 -4,-2.5 4,-0.5 2,-0.2 -2,-0.2 0.905 113.2 44.2 -61.1 -43.9 -1.4 36.3 44.2 22 26 A L H ><>S+ 0 0 1 -4,-2.6 5,-2.0 1,-0.2 3,-0.9 0.892 112.1 52.6 -68.2 -40.3 1.9 34.8 43.1 23 27 A H H ><5S+ 0 0 2 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.878 103.7 57.8 -61.7 -38.2 0.2 32.9 40.3 24 28 A A H 3<5S+ 0 0 75 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.669 102.8 54.8 -67.1 -18.9 -1.4 36.2 39.1 25 29 A E T <<5S- 0 0 116 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.415 131.3 -93.2 -94.0 -2.5 2.1 37.6 38.7 26 30 A G T < 5S+ 0 0 26 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.390 77.2 142.1 109.4 -1.9 3.2 34.8 36.5 27 31 A Y < - 0 0 21 -5,-2.0 2,-0.3 -6,-0.1 -1,-0.3 -0.429 49.9-132.1 -68.9 140.2 4.7 32.3 38.9 28 32 A A E -a 4 0A 2 -25,-2.8 -23,-2.7 -2,-0.1 2,-0.5 -0.733 34.9-145.0 -79.3 144.8 4.2 28.6 38.6 29 33 A V E -ac 5 55A 0 25,-2.6 27,-1.8 -2,-0.3 2,-0.7 -0.958 19.3-153.5-128.5 125.9 3.2 27.5 42.1 30 34 A C E -ac 6 56A 0 -25,-3.1 -23,-2.2 -2,-0.5 2,-0.8 -0.868 23.4-151.1 -92.0 114.2 3.9 24.3 44.1 31 35 A L E -ac 7 57A 0 25,-3.6 27,-2.0 -2,-0.7 2,-0.3 -0.764 8.3-159.7 -94.3 104.9 0.9 24.0 46.5 32 36 A H E + c 0 58A 4 -25,-2.5 -22,-2.6 -2,-0.8 -21,-0.5 -0.624 16.6 169.7 -82.1 141.5 1.8 22.2 49.8 33 37 A Y E - c 0 59A 39 25,-2.3 27,-2.1 -2,-0.3 4,-0.1 -0.972 24.9-169.9-143.0 159.1 -0.9 20.7 51.9 34 38 A H S S- 0 0 56 -2,-0.3 -1,-0.1 25,-0.2 3,-0.1 0.725 88.2 -7.5-108.7 -67.5 -1.1 18.4 54.9 35 39 A R S S+ 0 0 202 1,-0.1 2,-1.3 25,-0.1 3,-0.3 0.605 114.2 83.9-107.2 -15.8 -4.8 17.4 55.4 36 40 A S > + 0 0 23 1,-0.2 4,-2.2 2,-0.1 5,-0.2 -0.403 43.6 145.5 -93.9 60.9 -6.6 19.5 52.9 37 41 A A H > S+ 0 0 36 -2,-1.3 4,-3.0 2,-0.2 5,-0.3 0.925 71.4 50.6 -59.3 -49.1 -6.1 17.4 49.7 38 42 A A H > S+ 0 0 74 -3,-0.3 4,-2.4 1,-0.2 5,-0.2 0.949 113.6 43.4 -55.5 -55.8 -9.5 18.3 48.2 39 43 A E H > S+ 0 0 84 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.878 115.3 49.4 -59.2 -44.0 -9.0 22.1 48.6 40 44 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.946 112.9 46.1 -61.4 -50.9 -5.4 22.0 47.4 41 45 A N H X S+ 0 0 77 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.832 111.6 52.4 -62.4 -34.4 -6.3 19.9 44.3 42 46 A A H X S+ 0 0 56 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.903 110.5 47.7 -66.6 -42.6 -9.3 22.2 43.5 43 47 A L H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.900 110.8 51.4 -63.3 -42.1 -7.0 25.2 43.7 44 48 A S H X S+ 0 0 12 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.892 108.3 53.1 -60.5 -42.0 -4.5 23.5 41.5 45 49 A A H X S+ 0 0 59 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.924 108.6 48.6 -59.1 -49.3 -7.2 22.7 39.0 46 50 A T H X S+ 0 0 59 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.920 114.8 45.0 -57.2 -47.0 -8.3 26.4 38.8 47 51 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.895 112.0 50.4 -69.3 -42.0 -4.8 27.6 38.3 48 52 A N H < S+ 0 0 47 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.804 108.2 55.4 -64.7 -30.4 -3.9 25.0 35.7 49 53 A A H < S+ 0 0 85 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.904 110.3 44.0 -66.8 -42.6 -7.1 25.9 33.8 50 54 A R H < S+ 0 0 159 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.875 137.6 8.6 -66.2 -39.3 -6.0 29.6 33.7 51 55 A R S >< S- 0 0 79 -4,-2.2 3,-0.9 -5,-0.1 -1,-0.3 -0.909 87.3-122.4-149.2 107.6 -2.5 28.7 32.7 52 56 A P T 3 S+ 0 0 109 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.253 93.3 9.6 -56.2 140.4 -1.6 25.0 31.8 53 57 A N T 3 S+ 0 0 93 2,-0.1 -5,-0.1 1,-0.1 3,-0.1 0.852 91.5 118.5 57.2 43.0 1.2 23.5 33.9 54 58 A S < + 0 0 3 -3,-0.9 -25,-2.6 -10,-0.2 2,-0.3 0.310 67.2 44.1-116.2 6.1 1.3 26.4 36.4 55 59 A A E +c 29 0A 4 -27,-0.2 2,-0.3 -4,-0.1 -25,-0.2 -0.989 51.4 170.7-153.6 140.2 0.4 24.5 39.6 56 60 A I E -c 30 0A 28 -27,-1.8 -25,-3.6 -2,-0.3 2,-0.4 -0.933 22.2-135.0-137.4 164.3 1.2 21.2 41.4 57 61 A T E -c 31 0A 40 -2,-0.3 2,-0.4 -27,-0.2 -25,-0.2 -0.975 16.0-175.0-123.9 139.8 0.3 19.8 44.8 58 62 A V E -c 32 0A 35 -27,-2.0 -25,-2.3 -2,-0.4 2,-0.4 -0.995 15.9-141.0-132.8 139.3 2.6 18.1 47.3 59 63 A Q E +c 33 0A 94 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.829 30.8 153.6-102.2 135.3 1.6 16.5 50.6 60 64 A A - 0 0 6 -27,-2.1 2,-0.7 -2,-0.4 -25,-0.1 -0.897 40.9-136.5-161.6 134.8 3.7 16.7 53.8 61 65 A D - 0 0 35 -2,-0.3 4,-0.2 1,-0.1 17,-0.1 -0.833 19.9-168.9 -83.5 117.8 3.4 16.6 57.5 62 66 A L + 0 0 8 -2,-0.7 66,-0.4 2,-0.1 -1,-0.1 0.274 45.9 120.4 -97.9 9.5 5.6 19.5 58.7 63 67 A S S S- 0 0 8 60,-0.2 2,-2.6 1,-0.1 57,-0.3 -0.432 82.0-102.9 -68.4 148.1 5.4 18.4 62.3 64 68 A N S S+ 0 0 51 55,-2.6 2,-0.3 52,-0.1 -1,-0.1 -0.330 85.5 106.7 -76.1 61.8 8.8 17.6 63.9 65 69 A V S S- 0 0 55 -2,-2.6 2,-0.3 -4,-0.2 -4,-0.1 -0.939 73.0-108.7-135.1 155.3 8.3 13.8 63.7 66 70 A A - 0 0 63 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.624 37.3-154.7 -76.1 143.7 9.5 10.8 61.7 67 71 A T B -G 73 0B 40 6,-3.0 6,-3.1 -2,-0.3 11,-0.0 -0.752 23.9 -88.1-115.1 168.4 7.0 9.4 59.3 68 72 A A 0 0 88 -2,-0.3 -1,-0.0 4,-0.2 0, 0.0 -0.510 360.0 360.0 -72.7 139.2 6.5 5.9 57.7 69 73 A P 0 0 131 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.937 360.0 360.0 -72.2 360.0 8.3 5.1 54.4 70 ! 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 71 81 A A 0 0 117 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.7 13.8 3.4 57.8 72 82 A P - 0 0 93 0, 0.0 2,-0.5 0, 0.0 -4,-0.2 -0.430 360.0-116.9 -72.0 151.8 11.4 6.2 59.0 73 83 A V B -G 67 0B 33 -6,-3.1 -6,-3.0 -2,-0.1 2,-0.1 -0.805 27.7-141.3 -95.2 124.1 11.4 9.4 57.1 74 84 A T > - 0 0 41 -2,-0.5 4,-2.2 -8,-0.2 -8,-0.2 -0.338 21.8-112.2 -80.2 163.1 12.6 12.5 59.0 75 85 A L H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.892 117.6 56.3 -59.5 -42.3 11.1 16.0 58.8 76 86 A F H > S+ 0 0 49 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.944 107.6 47.4 -54.9 -52.2 14.3 17.3 57.2 77 87 A T H > S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.926 111.3 51.4 -53.6 -49.4 14.0 14.7 54.4 78 88 A R H X S+ 0 0 17 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.857 111.2 48.5 -58.4 -37.6 10.3 15.6 53.9 79 89 A C H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 3,-0.3 0.899 108.9 52.4 -68.6 -42.3 11.3 19.3 53.7 80 90 A A H X S+ 0 0 32 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.864 106.7 53.9 -60.7 -37.6 14.1 18.6 51.2 81 91 A E H X S+ 0 0 117 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.789 102.3 58.0 -71.7 -27.4 11.6 16.7 49.0 82 92 A L H X S+ 0 0 2 -4,-1.1 4,-0.8 -3,-0.3 -1,-0.2 0.928 112.0 40.3 -63.2 -46.4 9.2 19.7 48.9 83 93 A V H >X S+ 0 0 0 -4,-1.6 4,-1.4 1,-0.2 3,-1.0 0.940 113.8 55.0 -68.0 -43.8 12.0 21.9 47.4 84 94 A A H 3X S+ 0 0 26 -4,-2.7 4,-3.3 1,-0.3 5,-0.2 0.852 98.2 62.9 -54.5 -39.3 13.1 19.0 45.2 85 95 A A H 3X S+ 0 0 23 -4,-2.1 4,-1.8 1,-0.2 -1,-0.3 0.823 102.3 51.1 -58.6 -34.0 9.6 18.6 43.8 86 96 A C H S+ 0 0 0 -3,-1.0 4,-2.6 -4,-0.8 6,-0.9 0.912 113.0 44.5 -67.8 -43.9 9.9 22.2 42.4 87 97 A Y H X5S+ 0 0 25 -4,-1.4 4,-1.6 4,-0.3 -2,-0.2 0.909 113.1 50.5 -68.3 -43.1 13.2 21.3 40.7 88 98 A T H <5S+ 0 0 124 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.910 120.7 34.5 -59.1 -44.6 12.0 18.0 39.4 89 99 A H H <5S+ 0 0 88 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.870 139.7 9.4 -82.7 -38.2 8.9 19.5 37.8 90 100 A W H <5S- 0 0 44 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.407 91.1-118.6-127.2 -4.2 10.1 23.0 36.7 91 101 A G S < 0 0 205 0, 0.0 4,-0.7 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 20.0 0.4 11.8 74.6 113 135 A A H > + 0 0 78 1,-0.2 4,-1.5 2,-0.1 5,-0.0 0.899 360.0 48.9 -62.7 -48.3 -1.3 15.2 74.1 114 136 A M H 4 S+ 0 0 63 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.315 110.0 49.1 -98.7 -1.1 1.3 17.6 75.1 115 137 A E H > S+ 0 0 67 -3,-0.4 4,-1.5 2,-0.3 -1,-0.2 0.758 106.0 50.0-149.1 -62.2 4.0 16.2 73.0 116 138 A T H X S+ 0 0 78 -4,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.746 110.5 57.9 -6.8 -64.1 2.5 15.8 69.8 117 139 A A H X S+ 0 0 8 -4,-1.5 4,-2.8 2,-0.2 5,-0.4 0.925 105.2 48.7 -59.4 -45.8 1.5 19.4 70.5 118 140 A T H > S+ 0 0 5 -4,-0.4 4,-2.4 1,-0.2 5,-0.3 0.935 116.0 42.2 -59.2 -48.9 5.2 20.4 70.9 119 141 A A H X S+ 0 0 15 -4,-1.5 -55,-2.6 2,-0.2 4,-1.5 0.840 117.1 47.5 -70.6 -35.4 6.3 18.7 67.7 120 142 A D H X S+ 0 0 43 -4,-2.5 4,-2.0 -57,-0.3 -18,-0.3 0.951 118.2 39.0 -69.3 -51.1 3.3 19.9 65.7 121 143 A L H X S+ 0 0 0 -4,-2.8 4,-1.6 -5,-0.2 -19,-0.2 0.922 123.5 39.7 -70.3 -45.2 3.5 23.6 66.8 122 144 A F H X>S+ 0 0 6 -4,-2.4 5,-2.6 -5,-0.4 4,-1.5 0.842 115.8 52.5 -72.5 -34.9 7.3 23.9 66.7 123 145 A G H <>S+ 0 0 0 -4,-1.5 5,-3.3 -5,-0.3 -60,-0.2 0.968 115.3 37.1 -63.2 -56.2 7.7 21.8 63.6 124 146 A S H <5S+ 0 0 10 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.1 0.891 124.5 39.2 -67.2 -42.1 5.2 23.7 61.4 125 147 A N H <5S- 0 0 1 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.703 137.1 -4.0 -82.9 -23.5 6.0 27.2 62.7 126 148 A A T X5S+ 0 0 0 -4,-1.5 4,-1.8 -5,-0.2 -3,-0.2 0.640 123.0 49.5-138.5 -59.7 9.8 27.0 63.1 127 149 A I H > S+ 0 0 3 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.901 108.7 51.8 -50.6 -42.8 10.8 26.5 57.8 130 152 A Y H X S+ 0 0 7 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.966 113.7 41.5 -57.6 -54.5 14.5 26.1 58.9 131 153 A F H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.873 114.8 52.6 -61.5 -39.9 14.9 22.8 56.9 132 154 A L H X S+ 0 0 1 -4,-3.4 4,-2.6 2,-0.2 -1,-0.2 0.912 111.0 46.3 -61.8 -44.1 12.9 24.3 54.0 133 155 A I H X S+ 0 0 0 -4,-2.9 4,-3.1 -5,-0.2 5,-0.2 0.949 112.0 51.9 -63.5 -47.7 15.2 27.4 53.9 134 156 A K H X S+ 0 0 42 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.935 113.5 43.3 -51.5 -53.6 18.3 25.1 54.2 135 157 A A H X S+ 0 0 9 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.900 113.8 51.5 -59.1 -45.6 17.1 23.0 51.3 136 158 A F H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.905 114.0 44.2 -57.1 -45.3 16.1 26.1 49.3 137 159 A A H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 5,-0.2 0.901 109.3 55.5 -69.2 -43.6 19.5 27.6 49.8 138 160 A H H X S+ 0 0 103 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.889 107.8 50.0 -56.0 -43.1 21.4 24.4 49.1 139 161 A R H X S+ 0 0 87 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.857 111.6 47.4 -65.4 -38.7 19.7 24.2 45.7 140 162 A V H >< S+ 0 0 0 -4,-1.5 3,-0.9 2,-0.2 -2,-0.2 0.925 112.9 48.5 -67.1 -46.2 20.6 27.8 44.8 141 163 A A H 3< S+ 0 0 39 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.867 110.0 53.2 -59.7 -38.0 24.2 27.3 45.9 142 164 A G H 3< S+ 0 0 62 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.607 92.8 89.3 -73.7 -15.3 24.4 24.1 43.8 143 165 A T S << S- 0 0 29 -3,-0.9 5,-0.1 -4,-0.6 2,-0.1 -0.716 90.5-109.4 -84.9 131.4 23.2 25.9 40.8 144 166 A P >> - 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