==== 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 15-DEC-92 1GRA . COMPND 2 MOLECULE: GLUTATHIONE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.A.KARPLUS,G.E.SCHULZ . 461 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22494.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 324 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 36 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.2 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 1 0 1 0 0 0 2 2 0 0 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 3 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 PARALLEL BRIDGES PER LADDER . 3 1 2 1 1 1 1 2 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 1 1 1 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 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 18 A V 0 0 113 0, 0.0 2,-0.5 0, 0.0 129,-0.2 0.000 360.0 360.0 360.0 106.6 34.5 50.8 30.5 2 19 A A E -a 130 0A 45 127,-1.6 129,-2.4 1,-0.0 2,-0.3 -0.628 360.0-148.0 -84.5 128.6 36.2 47.5 30.1 3 20 A S E +a 131 0A 85 -2,-0.5 2,-0.3 127,-0.2 129,-0.2 -0.756 19.0 175.1-101.6 144.9 38.6 46.8 33.0 4 21 A Y - 0 0 21 127,-1.9 130,-0.2 -2,-0.3 25,-0.2 -0.840 39.0-122.5-132.1 173.4 41.8 44.8 32.8 5 22 A D S S+ 0 0 70 23,-3.0 2,-0.3 1,-0.3 129,-0.3 0.750 101.1 15.6 -84.3 -31.1 44.6 44.0 35.3 6 23 A Y E -d 29 0B 0 22,-1.7 24,-1.6 125,-0.1 2,-0.5 -0.957 63.2-167.1-149.9 125.1 47.2 45.5 33.0 7 24 A L E -de 30 135B 0 127,-1.8 129,-2.9 -2,-0.3 2,-0.5 -0.978 11.1-161.8-113.7 126.7 46.9 47.8 30.0 8 25 A V E -de 31 136B 0 22,-2.4 24,-3.2 -2,-0.5 2,-0.9 -0.929 6.0-153.6-115.9 118.2 50.0 48.2 27.9 9 26 A I E S+de 32 137B 7 127,-3.2 129,-3.2 -2,-0.5 24,-0.1 -0.860 70.2 28.4 -95.4 105.6 50.2 51.2 25.5 10 27 A G - 0 0 9 22,-2.3 23,-0.2 -2,-0.9 2,-0.1 0.253 64.6-137.6 116.3 126.6 52.4 50.3 22.6 11 28 A G + 0 0 0 4,-0.2 27,-2.7 20,-0.1 28,-0.3 -0.224 66.3 108.1-105.3 45.4 53.2 46.9 21.1 12 29 A G S > S- 0 0 12 126,-0.5 4,-2.8 26,-0.2 5,-0.4 -0.168 89.4 -58.5-103.1-159.7 56.9 47.3 20.7 13 30 A S H > S+ 0 0 26 25,-0.4 4,-1.6 1,-0.2 5,-0.2 0.872 133.8 35.1 -49.6 -54.9 59.8 45.7 22.5 14 31 A G H > S+ 0 0 6 2,-0.2 4,-2.1 3,-0.1 -1,-0.2 0.896 118.9 49.8 -71.2 -42.5 59.0 46.8 26.0 15 32 A G H > S+ 0 0 0 123,-0.3 4,-2.4 2,-0.2 5,-0.2 0.932 113.6 45.1 -62.9 -48.6 55.2 46.6 25.7 16 33 A L H X S+ 0 0 8 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.929 114.7 47.9 -61.6 -50.9 55.2 43.1 24.3 17 34 A A H X S+ 0 0 9 -4,-1.6 4,-1.7 -5,-0.4 -1,-0.2 0.875 114.4 45.5 -57.9 -44.2 57.7 41.8 26.8 18 35 A S H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.932 113.6 48.8 -68.5 -45.0 56.0 43.3 29.8 19 36 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.940 111.4 50.4 -62.2 -42.6 52.5 42.2 28.7 20 37 A R H X S+ 0 0 75 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.890 112.5 45.0 -63.6 -41.0 53.7 38.6 28.1 21 38 A R H X S+ 0 0 55 -4,-1.7 4,-0.8 -5,-0.2 -1,-0.2 0.911 112.1 52.1 -70.6 -41.5 55.4 38.3 31.5 22 39 A A H ><>S+ 0 0 0 -4,-2.4 5,-1.9 1,-0.2 3,-1.2 0.939 108.0 52.6 -59.3 -44.7 52.4 39.8 33.3 23 40 A A H ><5S+ 0 0 20 -4,-2.7 3,-2.0 1,-0.3 -1,-0.2 0.907 104.2 56.0 -60.3 -39.6 50.1 37.3 31.5 24 41 A E H 3<5S+ 0 0 131 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.758 103.9 55.9 -61.3 -26.2 52.3 34.4 32.7 25 42 A L T <<5S- 0 0 53 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.404 129.5 -94.8 -88.7 1.2 51.7 35.7 36.2 26 43 A G T < 5S+ 0 0 62 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.286 75.7 144.9 106.5 -9.0 47.9 35.5 35.9 27 44 A A < - 0 0 11 -5,-1.9 2,-0.9 -6,-0.2 -1,-0.3 -0.330 50.6-132.6 -67.5 143.2 47.3 39.1 34.9 28 45 A R + 0 0 101 78,-0.1 -23,-3.0 -2,-0.1 -22,-1.7 -0.840 44.0 175.4 -93.4 105.9 44.5 39.8 32.4 29 46 A A E -d 6 0B 1 -2,-0.9 78,-2.1 76,-0.3 2,-0.3 -0.812 25.6-164.5-118.6 158.8 46.3 42.1 30.0 30 47 A A E -df 7 107B 0 -24,-1.6 -22,-2.4 -2,-0.3 2,-0.5 -0.976 12.7-145.3-138.5 145.0 45.6 43.9 26.8 31 48 A V E -df 8 108B 0 76,-3.2 78,-2.7 -2,-0.3 2,-0.5 -0.979 9.0-152.0-114.7 123.0 48.1 45.6 24.4 32 49 A V E +df 9 109B 2 -24,-3.2 -22,-2.3 -2,-0.5 2,-0.4 -0.817 22.3 172.2 -91.2 126.1 47.1 48.7 22.5 33 50 A E E - f 0 110B 18 76,-2.6 78,-2.1 -2,-0.5 4,-0.1 -0.960 23.2-173.3-141.9 125.1 48.9 49.1 19.2 34 51 A S S S+ 0 0 53 -2,-0.4 78,-0.2 76,-0.2 -1,-0.1 0.749 78.1 12.1 -89.5 -21.5 48.2 51.6 16.5 35 52 A H S S- 0 0 142 1,-0.1 2,-0.5 76,-0.1 -2,-0.1 0.220 113.5 -22.0-121.7-118.5 50.5 50.3 13.8 36 53 A K > - 0 0 125 1,-0.0 3,-1.5 -2,-0.0 7,-0.2 -0.856 62.1-112.8-107.9 139.7 52.4 47.0 13.5 37 54 A L T 3 S+ 0 0 4 -2,-0.5 -25,-0.2 1,-0.2 60,-0.1 -0.269 100.3 50.3 -63.3 150.9 53.3 44.7 16.3 38 55 A G T 3> S- 0 0 2 -27,-2.7 4,-1.4 59,-0.1 -25,-0.4 0.102 92.5-149.1 105.6 -19.9 57.0 44.4 17.0 39 56 A G H <> - 0 0 15 -3,-1.5 4,-2.0 -28,-0.3 5,-0.4 -0.048 54.5 -20.7 57.7-150.8 57.3 48.2 17.1 40 57 A T H > S+ 0 0 55 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.919 132.9 55.4 -59.7 -47.7 60.5 50.0 16.0 41 58 A a H > S+ 0 0 18 -3,-0.3 6,-2.2 4,-0.2 4,-0.8 0.932 116.2 35.1 -55.2 -50.5 62.9 47.1 16.4 42 59 A V H < S+ 0 0 10 -4,-1.4 -1,-0.2 4,-0.2 -2,-0.2 0.937 127.1 34.3 -70.3 -50.3 61.1 44.7 14.1 43 60 A N H < S- 0 0 28 -4,-2.0 -3,-0.2 -7,-0.2 -2,-0.2 0.883 140.1 -2.7 -78.3 -45.2 59.7 47.1 11.5 44 61 A V H < S+ 0 0 39 -4,-2.1 -3,-0.2 -5,-0.4 -1,-0.1 -0.038 123.2 44.3-140.4 33.1 62.3 49.8 11.1 45 62 A G S X S+ 0 0 17 -4,-0.8 4,-2.1 -5,-0.3 5,-0.3 -0.105 105.6 6.3-143.1-123.4 65.1 49.1 13.6 46 63 A a H > S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.832 124.9 45.6 -42.1 -55.9 67.2 46.2 14.8 47 64 A V H > S+ 0 0 27 -6,-2.2 4,-2.2 2,-0.2 5,-0.2 0.978 116.1 38.1 -61.1 -66.0 65.9 43.6 12.4 48 65 A P H > S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.870 117.6 55.3 -56.2 -33.4 65.9 45.3 8.9 49 66 A K H X S+ 0 0 25 -4,-2.1 4,-2.6 -8,-0.2 -2,-0.2 0.951 106.8 48.0 -61.9 -49.9 69.2 47.0 9.9 50 67 A K H X S+ 0 0 62 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.889 109.8 53.1 -61.7 -42.4 70.9 43.7 10.7 51 68 A V H X S+ 0 0 30 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.924 111.4 45.9 -57.8 -47.7 69.8 42.2 7.4 52 69 A M H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.859 111.5 53.5 -62.7 -36.2 71.2 45.2 5.6 53 70 A W H X S+ 0 0 18 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.929 106.4 50.9 -63.8 -41.2 74.4 44.8 7.6 54 71 A N H X S+ 0 0 84 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.875 110.8 51.6 -64.2 -33.5 74.8 41.2 6.7 55 72 A T H X S+ 0 0 19 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.916 109.7 46.3 -68.1 -46.4 74.4 42.3 3.1 56 73 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.894 108.2 58.2 -65.3 -37.5 77.1 45.0 3.4 57 74 A V H X S+ 0 0 22 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.876 103.2 53.6 -60.1 -35.2 79.3 42.4 5.1 58 75 A H H X S+ 0 0 144 -4,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.875 104.7 54.4 -63.0 -43.9 78.9 40.2 2.0 59 76 A S H X S+ 0 0 17 -4,-1.5 4,-0.6 2,-0.2 -2,-0.2 0.935 111.2 45.3 -56.7 -48.9 80.1 43.1 -0.2 60 77 A E H >X S+ 0 0 22 -4,-2.2 3,-1.2 2,-0.2 4,-0.5 0.919 111.6 49.1 -64.1 -49.2 83.2 43.4 1.9 61 78 A F H >< S+ 0 0 78 -4,-2.4 3,-2.3 1,-0.3 4,-0.3 0.930 104.4 61.2 -59.6 -39.6 84.1 39.8 2.1 62 79 A M H >< S+ 0 0 54 -4,-2.2 3,-0.7 1,-0.3 11,-0.4 0.708 94.5 63.7 -57.8 -23.6 83.6 39.5 -1.7 63 80 A H H << S+ 0 0 116 -3,-1.2 -1,-0.3 -4,-0.6 4,-0.2 0.739 103.5 48.7 -70.2 -23.1 86.5 42.1 -2.0 64 81 A D T S+ 0 0 63 -3,-0.7 5,-1.9 -4,-0.3 3,-0.4 0.906 82.5 47.1 -53.8 -49.5 87.6 36.6 -2.8 66 83 A A T >45S+ 0 0 51 -4,-0.3 3,-1.9 1,-0.2 -1,-0.2 0.909 108.2 55.6 -64.8 -37.0 90.5 36.9 -5.1 67 84 A D T 345S+ 0 0 50 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.818 104.0 56.2 -62.6 -29.5 93.0 37.0 -2.2 68 85 A Y T 3<5S- 0 0 92 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.221 128.0 -93.6 -90.3 12.9 91.6 33.8 -1.0 69 86 A G T < 5S+ 0 0 70 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.617 87.2 117.0 92.9 13.3 92.2 31.9 -4.2 70 87 A F S > - 0 0 86 -2,-0.2 4,-1.0 1,-0.2 3,-0.6 -0.853 14.7-169.3-111.6 106.0 70.8 44.5 -6.7 79 96 A W H 3> S+ 0 0 6 -2,-0.8 4,-2.8 1,-0.2 3,-0.4 0.871 80.0 55.5 -59.1 -46.7 69.0 46.4 -4.1 80 97 A R H 3> S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.818 100.0 60.5 -66.6 -21.1 65.4 45.3 -4.8 81 98 A V H <> S+ 0 0 63 -3,-0.6 4,-1.2 2,-0.2 -1,-0.2 0.925 113.4 35.0 -66.6 -47.7 66.2 41.7 -4.4 82 99 A I H X S+ 0 0 34 -4,-1.0 4,-2.5 -3,-0.4 5,-0.3 0.831 114.0 59.6 -78.3 -32.1 67.4 42.0 -0.9 83 100 A K H X S+ 0 0 23 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.938 105.6 47.6 -61.8 -43.7 64.8 44.6 -0.2 84 101 A E H X S+ 0 0 86 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.887 113.5 47.6 -61.5 -41.2 61.9 42.3 -1.0 85 102 A K H X S+ 0 0 135 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.829 110.6 52.1 -69.3 -36.2 63.4 39.5 1.1 86 103 A R H X S+ 0 0 3 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.912 109.4 49.7 -64.6 -47.4 64.0 41.8 4.0 87 104 A D H X S+ 0 0 61 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.882 109.1 51.7 -60.0 -40.0 60.4 43.0 3.9 88 105 A A H X S+ 0 0 42 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.878 107.5 52.8 -62.6 -41.6 59.0 39.5 3.8 89 106 A Y H X S+ 0 0 92 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.890 107.7 51.0 -62.8 -41.3 61.0 38.5 6.8 90 107 A V H X S+ 0 0 13 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.860 108.1 52.9 -62.4 -37.8 59.6 41.5 8.7 91 108 A S H X S+ 0 0 70 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.876 106.5 53.9 -63.3 -40.3 56.1 40.3 7.7 92 109 A R H X S+ 0 0 144 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.908 109.1 47.9 -58.5 -43.7 56.9 36.9 9.1 93 110 A L H X S+ 0 0 22 -4,-1.9 4,-2.3 1,-0.2 5,-0.3 0.881 106.3 56.7 -69.7 -38.5 57.8 38.5 12.4 94 111 A N H X S+ 0 0 28 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.936 109.3 46.6 -59.2 -38.3 54.7 40.6 12.5 95 112 A A H X S+ 0 0 62 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.898 110.6 52.7 -70.8 -36.9 52.7 37.4 12.2 96 113 A I H X S+ 0 0 81 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.879 108.5 49.4 -61.0 -43.3 54.7 35.6 14.9 97 114 A Y H X S+ 0 0 73 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.839 109.1 52.4 -71.6 -32.6 54.3 38.4 17.4 98 115 A Q H X S+ 0 0 85 -4,-1.5 4,-2.3 -5,-0.3 -1,-0.2 0.946 111.1 47.4 -65.9 -44.0 50.6 38.5 16.9 99 116 A N H X S+ 0 0 79 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.909 107.0 57.8 -62.1 -39.9 50.5 34.8 17.5 100 117 A N H X S+ 0 0 28 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.875 108.6 45.7 -60.1 -36.5 52.6 35.2 20.6 101 118 A L H ><>S+ 0 0 0 -4,-1.7 5,-2.6 -3,-0.2 3,-0.8 0.943 112.2 50.9 -72.0 -45.4 50.1 37.5 22.1 102 119 A T H ><5S+ 0 0 68 -4,-2.3 3,-2.1 1,-0.3 -2,-0.2 0.935 106.8 52.5 -60.6 -44.8 47.1 35.3 21.2 103 120 A K H 3<5S+ 0 0 130 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.739 109.6 51.0 -61.6 -24.5 48.6 32.2 22.7 104 121 A S T <<5S- 0 0 37 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.386 115.2-117.7 -92.4 -2.9 49.2 34.1 25.9 105 122 A H T < 5 + 0 0 153 -3,-2.1 2,-0.5 -4,-0.3 -76,-0.3 0.820 60.5 154.3 68.7 34.8 45.6 35.3 25.9 106 123 A I < - 0 0 8 -5,-2.6 -1,-0.3 -6,-0.1 -76,-0.2 -0.816 42.0-129.0 -94.6 131.3 46.6 38.9 25.7 107 124 A E E -f 30 0B 80 -78,-2.1 -76,-3.2 -2,-0.5 2,-0.6 -0.528 14.9-147.4 -77.7 142.4 44.0 41.1 24.1 108 125 A I E -f 31 0B 38 -78,-0.2 2,-0.6 -2,-0.2 -76,-0.2 -0.968 8.8-166.1-113.6 114.9 45.1 43.3 21.2 109 126 A I E -f 32 0B 12 -78,-2.7 -76,-2.6 -2,-0.6 2,-0.5 -0.921 14.1-148.3-101.4 116.8 43.4 46.6 20.9 110 127 A R E +f 33 0B 117 -2,-0.6 2,-0.2 -78,-0.2 -76,-0.2 -0.763 53.0 49.4 -91.9 126.9 44.1 48.1 17.5 111 128 A G S S- 0 0 19 -78,-2.1 2,-0.5 -2,-0.5 -76,-0.1 -0.794 90.3 -49.8 140.4-178.5 44.2 51.9 17.3 112 129 A H - 0 0 98 -2,-0.2 14,-0.5 -78,-0.2 2,-0.3 -0.780 49.8-148.4 -98.1 124.7 45.7 55.0 18.9 113 130 A A + 0 0 5 -2,-0.5 2,-0.3 12,-0.1 12,-0.2 -0.689 18.6 173.4 -92.2 149.9 45.4 55.4 22.7 114 131 A A E -B 124 0A 21 10,-1.2 10,-2.8 -2,-0.3 168,-0.2 -0.976 33.2-109.3-148.5 146.1 45.1 58.6 24.6 115 132 A F E -B 123 0A 4 166,-3.0 8,-0.3 -2,-0.3 2,-0.2 -0.392 33.8-134.9 -71.3 157.4 44.4 59.3 28.3 116 133 A T - 0 0 10 6,-2.4 6,-0.3 2,-0.1 -1,-0.1 -0.625 21.7-111.8-109.3 173.2 41.1 60.7 29.3 117 134 A S S S+ 0 0 91 -2,-0.2 -1,-0.1 4,-0.1 -2,-0.0 0.689 76.8 127.5 -73.3 -20.8 40.0 63.5 31.7 118 135 A D - 0 0 48 4,-0.1 4,-0.3 1,-0.1 -2,-0.1 -0.006 67.9-125.0 -46.7 140.4 38.5 60.8 33.9 119 136 A P S S+ 0 0 118 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.953 98.4 55.6 -52.6 -71.1 39.6 60.7 37.5 120 137 A K S S- 0 0 126 1,-0.1 -2,-0.0 11,-0.0 0, 0.0 -0.528 114.8 -90.3 -69.1 132.9 40.8 57.1 37.6 121 138 A P + 0 0 30 0, 0.0 11,-0.7 0, 0.0 2,-0.3 -0.202 64.7 163.0 -49.7 117.4 43.4 56.7 34.9 122 139 A T E - C 0 131A 3 -4,-0.3 -6,-2.4 -6,-0.3 2,-0.3 -0.989 23.8-150.1-140.0 146.2 41.5 55.6 31.8 123 140 A I E -BC 115 130A 0 7,-2.4 7,-2.3 -2,-0.3 2,-0.4 -0.863 4.8-146.0-116.6 159.0 42.3 55.5 28.1 124 141 A E E +BC 114 129A 81 -10,-2.8 -10,-1.2 -2,-0.3 2,-0.4 -0.960 14.0 178.5-122.7 135.9 40.2 55.9 25.0 125 142 A V E > S- C 0 128A 3 3,-2.4 3,-1.3 -2,-0.4 -12,-0.1 -0.929 77.1 -19.8-137.8 107.8 40.9 54.0 21.7 126 143 A S T 3 S- 0 0 106 -14,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.935 127.4 -48.9 63.2 46.8 38.4 54.6 18.9 127 144 A G T 3 S+ 0 0 57 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.207 116.2 109.4 80.2 -18.8 35.6 55.9 21.1 128 145 A K E < - 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0 0 45 -3,-0.7 29,-2.2 -4,-0.5 2,-0.3 0.973 27.4-164.1 63.2 54.7 91.8 45.8 39.3 412 429 A K E < -UT 439 407G 94 -5,-2.6 -5,-2.0 27,-0.2 2,-0.8 -0.554 23.9-116.3 -67.9 133.7 88.1 45.4 39.1 413 430 A V E + T 0 406G 2 25,-2.3 -7,-0.2 -2,-0.3 24,-0.1 -0.601 45.9 162.5 -75.6 110.8 87.1 45.3 35.4 414 431 A V E + 0 0 8 -9,-2.5 -49,-2.8 -2,-0.8 2,-0.3 0.522 61.4 18.9-107.6 -6.0 84.8 48.4 35.1 415 432 A G E -RT 364 405G 0 -10,-1.2 -10,-2.8 -51,-0.3 2,-0.4 -0.954 51.9-169.2-164.1 142.4 84.8 48.8 31.3 416 433 A I E +RT 363 404G 0 -53,-2.5 -53,-2.4 -2,-0.3 2,-0.4 -0.996 13.8 175.8-133.1 132.3 85.5 46.9 28.1 417 434 A H E +RT 362 403G 0 -14,-2.4 -14,-2.8 -2,-0.4 2,-0.3 -0.999 9.2 153.4-139.9 133.7 85.7 48.6 24.7 418 435 A M E -RT 361 402G 0 -57,-2.2 -57,-2.1 -2,-0.4 2,-0.3 -0.993 24.9-164.0-158.0 159.3 86.6 47.0 21.4 419 436 A Q E +RT 360 401G 0 -18,-2.2 -18,-2.2 -2,-0.3 2,-0.2 -0.987 43.7 92.4-144.1 134.5 86.2 47.2 17.6 420 437 A G S > S- 0 0 0 -61,-2.4 3,-2.0 -2,-0.3 4,-0.3 -0.841 75.5 -47.5 159.5 162.9 87.1 44.4 15.3 421 438 A L T 3 S+ 0 0 35 1,-0.3 32,-0.1 -2,-0.2 -2,-0.1 -0.330 124.0 18.1 -54.5 132.3 85.9 41.3 13.3 422 439 A G T >> S+ 0 0 39 31,-0.1 4,-1.2 30,-0.0 3,-0.9 0.276 88.5 118.0 90.3 -15.2 83.9 39.0 15.6 423 440 A C H <> + 0 0 0 -3,-2.0 4,-1.0 1,-0.2 -2,-0.1 0.723 65.0 64.2 -61.1 -26.1 83.3 41.8 18.2 424 441 A D H 34 S+ 0 0 35 -4,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.880 113.3 32.2 -65.0 -36.1 79.5 41.6 17.8 425 442 A E H <4 S+ 0 0 152 -3,-0.9 4,-0.3 1,-0.1 -2,-0.2 0.587 112.6 64.9 -95.7 -12.0 79.3 38.0 19.1 426 443 A M H X S+ 0 0 24 -4,-1.2 4,-0.8 1,-0.2 3,-0.2 0.769 87.7 67.8 -82.1 -30.1 82.2 38.3 21.5 427 444 A L H X S+ 0 0 4 -4,-1.0 4,-2.1 1,-0.2 3,-0.2 0.848 80.3 73.5 -62.0 -46.2 80.8 40.9 23.9 428 445 A Q H > S+ 0 0 130 -4,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.869 98.9 42.0 -43.1 -56.5 78.0 39.0 25.5 429 446 A G H > S+ 0 0 48 -4,-0.3 4,-1.8 -3,-0.2 3,-0.4 0.894 112.7 52.5 -68.0 -36.2 79.9 36.7 27.8 430 447 A F H X S+ 0 0 34 -4,-0.8 4,-2.8 -3,-0.2 -1,-0.2 0.889 104.8 58.5 -65.4 -26.6 82.4 39.3 28.9 431 448 A A H X S+ 0 0 6 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.864 103.8 51.9 -67.3 -31.5 79.4 41.4 29.8 432 449 A V H X S+ 0 0 80 -4,-1.2 4,-1.8 -3,-0.4 -1,-0.2 0.948 110.9 47.1 -65.4 -47.7 78.3 38.6 32.2 433 450 A A H <>S+ 0 0 28 -4,-1.8 5,-2.1 1,-0.2 4,-0.3 0.891 112.3 49.2 -61.5 -43.7 81.7 38.6 33.8 434 451 A V H ><5S+ 0 0 5 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.928 108.9 52.9 -66.3 -38.7 81.7 42.4 34.2 435 452 A K H 3<5S+ 0 0 114 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.858 106.2 54.5 -62.5 -35.4 78.3 42.3 35.7 436 453 A M T 3<5S- 0 0 160 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.429 121.4-107.8 -78.0 -7.8 79.5 39.7 38.2 437 454 A G T < 5 - 0 0 32 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.836 50.9-177.4 85.2 36.5 82.3 42.0 39.3 438 455 A A < - 0 0 9 -5,-2.1 -25,-2.3 -25,-0.1 2,-0.2 -0.223 12.5-146.9 -66.0 157.1 85.2 40.2 37.8 439 456 A T B >> -U 412 0G 34 -27,-0.3 4,-1.3 -33,-0.1 3,-0.8 -0.701 34.3 -96.3-111.8 175.2 88.7 41.5 38.3 440 457 A K H 3> S+ 0 0 7 -29,-2.2 4,-3.3 -30,-0.4 5,-0.2 0.858 123.8 61.0 -61.3 -34.5 91.6 41.3 35.9 441 458 A A H 3> S+ 0 0 48 -31,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.864 100.0 54.1 -59.5 -38.7 92.8 38.1 37.7 442 459 A D H <4 S+ 0 0 86 -3,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.903 112.7 43.0 -64.2 -40.8 89.6 36.4 36.8 443 460 A F H >< S+ 0 0 5 -4,-1.3 3,-2.2 1,-0.2 -2,-0.2 0.951 113.9 51.0 -65.8 -51.2 90.1 37.1 33.1 444 461 A D H 3< S+ 0 0 68 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.766 105.9 56.2 -60.9 -26.6 93.8 36.3 33.3 445 462 A N T 3< S+ 0 0 131 -4,-1.8 2,-0.6 -5,-0.2 -1,-0.3 0.334 85.9 96.3 -89.5 7.4 93.0 33.0 35.0 446 463 A T S < S- 0 0 82 -3,-2.2 2,-0.1 12,-0.2 -3,-0.0 -0.859 82.5-119.2 -97.6 124.0 90.7 31.9 32.2 447 464 A V - 0 0 133 -2,-0.6 -2,-0.1 1,-0.1 2,-0.0 -0.409 34.3-114.9 -64.0 138.9 92.5 29.7 29.6 448 465 A A - 0 0 37 -4,-0.1 2,-0.5 10,-0.1 -1,-0.1 -0.254 10.6-131.5 -75.4 159.8 92.5 31.2 26.2 449 466 A I - 0 0 115 -2,-0.0 6,-0.4 3,-0.0 3,-0.4 -0.973 38.1-123.9-111.2 116.2 90.9 29.9 23.0 450 467 A H S S+ 0 0 138 -2,-0.5 3,-0.1 1,-0.3 4,-0.0 -0.919 79.7 17.0-122.4 136.9 93.4 29.9 20.1 451 468 A P S S+ 0 0 79 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.427 96.8 104.4 -98.5 129.1 93.3 31.1 17.4 452 469 A T - 0 0 54 -3,-0.4 4,-0.1 1,-0.1 -30,-0.0 -0.930 69.8-120.9-147.5 172.5 90.6 33.7 17.9 453 470 A S S > S+ 0 0 21 -2,-0.3 3,-2.2 1,-0.1 4,-0.3 0.858 108.1 66.5 -82.2 -37.6 90.3 37.5 18.4 454 471 A S G > S+ 0 0 32 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.766 85.6 68.6 -55.4 -31.6 88.6 36.9 21.8 455 472 A E G > S+ 0 0 26 -6,-0.4 3,-1.3 1,-0.3 4,-0.4 0.744 84.3 73.8 -61.1 -22.4 91.6 35.4 23.4 456 473 A E G X S+ 0 0 54 -3,-2.2 3,-0.8 1,-0.3 -1,-0.3 0.823 90.0 57.5 -63.3 -29.0 93.3 38.8 23.3 457 474 A L G < S+ 0 0 0 -3,-1.5 3,-0.3 -4,-0.3 -1,-0.3 0.662 107.2 47.4 -74.9 -22.0 91.1 40.1 26.1 458 475 A V G < S+ 0 0 16 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.382 111.8 49.3-100.3 2.3 92.2 37.3 28.4 459 476 A T S < S+ 0 0 73 -3,-0.8 2,-0.2 -4,-0.4 -1,-0.2 -0.074 74.4 140.8-129.0 28.2 96.0 37.8 27.7 460 477 A L 0 0 6 -3,-0.3 -76,-0.1 1,-0.2 -3,-0.0 -0.544 360.0 360.0 -73.1 138.5 96.4 41.6 28.2 461 478 A R 0 0 276 -2,-0.2 -1,-0.2 -78,-0.2 -77,-0.1 0.550 360.0 360.0-135.7 360.0 99.6 42.7 29.9