==== 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 14-JUL-05 2AAQ . COMPND 2 MOLECULE: GLUTATHIONE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.URIG,K.FRITZ-WOLF,R.REAU,C.HEROLD-MENDE,K.TOTH,E.DAVIOUD-C . 461 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22297.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 8.7 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 . 45 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 24.5 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 1 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 5 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 0 4 0 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 0 148 0, 0.0 129,-0.2 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 74.4 2.2 30.1 87.6 2 19 A A E -a 130 0A 44 127,-1.1 129,-2.1 1,-0.0 2,-0.4 -0.322 360.0-144.6 -72.1 157.9 0.7 30.3 84.1 3 20 A S E +a 131 0A 91 127,-0.2 2,-0.3 119,-0.0 129,-0.2 -0.986 19.1 174.7-131.3 139.1 -1.7 33.1 83.2 4 21 A Y - 0 0 25 127,-2.4 130,-0.3 -2,-0.4 3,-0.2 -0.851 39.4-122.1-133.8 169.5 -4.8 33.1 81.0 5 22 A D S S+ 0 0 83 23,-1.3 129,-0.6 1,-0.3 2,-0.4 0.859 103.8 22.6 -79.1 -37.3 -7.6 35.5 80.1 6 23 A Y E -de 29 134B 0 22,-1.2 24,-1.6 127,-0.1 2,-0.5 -0.988 65.4-172.5-137.2 123.6 -10.2 33.1 81.3 7 24 A L E -de 30 135B 0 127,-1.9 129,-2.7 -2,-0.4 2,-0.4 -0.977 11.6-163.4-116.7 120.3 -9.8 30.3 83.8 8 25 A V E -de 31 136B 0 22,-1.8 24,-2.7 -2,-0.5 2,-0.7 -0.898 9.3-152.4-109.7 132.4 -12.8 28.0 84.3 9 26 A I E S+de 32 137B 4 127,-3.5 129,-3.6 -2,-0.4 24,-0.1 -0.885 73.9 29.3-105.0 107.8 -13.2 25.7 87.3 10 27 A G - 0 0 9 22,-2.6 2,-0.5 -2,-0.7 23,-0.2 0.270 68.4-139.1 112.0 118.5 -15.3 22.7 86.3 11 28 A G + 0 0 0 4,-0.2 27,-2.8 20,-0.1 28,-0.5 -0.460 63.8 101.5-106.1 60.3 -15.4 21.3 82.8 12 29 A G S >>S- 0 0 9 -2,-0.5 4,-2.6 126,-0.4 5,-0.6 -0.413 89.2 -47.6-121.8-159.7 -19.1 20.6 82.4 13 30 A S H >5S+ 0 0 15 25,-0.4 4,-1.6 1,-0.2 5,-0.2 0.861 134.5 30.2 -38.6 -61.1 -22.2 22.1 80.7 14 31 A G H >5S+ 0 0 7 2,-0.2 4,-2.9 3,-0.2 5,-0.3 0.936 121.3 48.7 -71.1 -48.3 -21.7 25.6 82.0 15 32 A G H >5S+ 0 0 0 123,-0.4 4,-3.3 2,-0.2 5,-0.3 0.969 116.2 41.9 -56.3 -57.8 -17.9 25.8 82.2 16 33 A L H X5S+ 0 0 7 -4,-2.6 4,-3.3 2,-0.2 5,-0.3 0.927 115.0 51.7 -56.0 -48.1 -17.3 24.4 78.8 17 34 A A H X<>S+ 0 0 0 -4,-1.7 3,-1.8 -3,-0.4 5,-0.9 0.969 107.2 46.2 -64.7 -56.4 -14.8 33.0 75.2 23 40 A A H ><5S+ 0 0 25 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.831 107.9 59.5 -55.8 -31.2 -12.1 31.5 72.9 24 41 A E H 3<5S+ 0 0 131 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.799 107.3 46.9 -65.7 -27.0 -14.6 32.2 70.1 25 42 A L T <<5S- 0 0 55 -3,-1.8 -1,-0.3 -4,-0.7 -2,-0.2 0.416 131.2 -96.7 -93.1 -2.7 -14.3 35.8 71.2 26 43 A G T < 5S+ 0 0 48 -3,-1.1 -3,-0.2 -4,-0.4 -4,-0.1 -0.226 79.1 135.9 116.6 -43.5 -10.5 35.6 71.3 27 44 A A < - 0 0 7 -5,-0.9 2,-1.0 1,-0.1 -1,-0.4 0.049 57.0-128.0 -38.9 142.8 -10.0 35.0 75.0 28 45 A R - 0 0 122 78,-0.0 -23,-1.3 2,-0.0 -22,-1.2 -0.814 38.3-170.8-100.8 92.3 -7.4 32.3 75.8 29 46 A A E -d 6 0B 3 -2,-1.0 78,-1.4 -10,-0.2 2,-0.3 -0.421 20.0-169.7 -86.6 159.2 -9.3 30.1 78.1 30 47 A A E -df 7 107B 0 -24,-1.6 -22,-1.8 76,-0.2 2,-0.3 -0.853 10.1-161.7-149.5 104.9 -8.2 27.2 80.3 31 48 A V E -df 8 108B 1 76,-1.4 78,-3.0 -2,-0.3 2,-0.5 -0.688 8.8-143.8 -92.4 145.0 -10.9 25.0 81.9 32 49 A V E +df 9 109B 4 -24,-2.7 -22,-2.6 -2,-0.3 2,-0.4 -0.937 19.2 178.4-112.1 124.9 -10.0 22.7 84.8 33 50 A E E - f 0 110B 19 76,-2.7 78,-1.8 -2,-0.5 4,-0.1 -0.989 19.2-171.4-128.5 135.3 -11.7 19.3 85.2 34 51 A S S S+ 0 0 52 -2,-0.4 78,-0.2 76,-0.2 -1,-0.1 0.615 79.3 8.4 -95.9 -18.3 -11.1 16.8 87.9 35 52 A H S S- 0 0 140 1,-0.2 2,-0.3 76,-0.1 76,-0.1 -0.160 115.7 -13.7-131.7-134.2 -13.1 14.0 86.3 36 53 A K > - 0 0 151 -2,-0.1 3,-1.2 1,-0.1 2,-0.2 -0.617 67.7-115.3 -81.7 134.4 -14.8 13.4 83.0 37 54 A L T 3 S+ 0 0 11 -2,-0.3 -25,-0.2 1,-0.2 61,-0.1 -0.501 100.0 47.5 -67.3 130.0 -15.4 16.4 80.7 38 55 A G T 3> S- 0 0 0 -27,-2.8 4,-1.5 -2,-0.2 -25,-0.4 0.280 90.3-147.3 120.3 -8.0 -19.1 17.0 80.4 39 56 A G H <> - 0 0 23 -3,-1.2 4,-1.0 -28,-0.5 5,-0.4 0.138 57.1 -26.2 46.0-157.6 -20.1 16.8 84.0 40 57 A T H > S+ 0 0 55 1,-0.2 4,-1.4 3,-0.2 -1,-0.2 0.870 128.6 70.9 -52.5 -43.4 -23.4 15.6 85.3 41 58 A C H > S+ 0 0 31 -3,-0.2 4,-0.8 4,-0.2 6,-0.3 0.899 108.6 22.8 -37.5 -74.2 -25.0 16.5 82.0 42 59 A V H < S+ 0 0 24 -4,-1.5 3,-0.4 2,-0.2 -2,-0.1 0.979 125.8 41.9 -64.2 -64.6 -23.6 14.0 79.7 43 60 A N H < S+ 0 0 49 -4,-1.0 -3,-0.2 1,-0.2 -2,-0.1 0.853 135.4 2.8 -57.2 -49.6 -22.5 11.0 81.8 44 61 A V H < S+ 0 0 34 -4,-1.4 -1,-0.2 -5,-0.4 -3,-0.2 0.001 122.1 55.2-134.3 30.8 -25.3 10.6 84.3 45 62 A G S X S+ 0 0 14 -4,-0.8 4,-1.9 -3,-0.4 5,-0.2 0.049 94.7 4.3-124.5-127.6 -27.9 13.2 83.4 46 63 A C H > S+ 0 0 53 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.837 122.0 34.4 -28.3 -80.9 -30.0 14.4 80.5 47 64 A V H > S+ 0 0 41 -6,-0.3 4,-3.1 1,-0.2 3,-0.4 0.969 118.3 48.5 -55.3 -63.3 -29.4 12.0 77.6 48 65 A P H > S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.830 115.9 49.5 -48.2 -29.6 -29.0 8.7 79.5 49 66 A K H X S+ 0 0 29 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.894 110.2 47.7 -75.0 -42.4 -32.1 9.8 81.3 50 67 A K H X S+ 0 0 57 -4,-2.7 4,-3.4 -3,-0.4 5,-0.2 0.920 110.5 52.4 -65.3 -42.4 -34.1 10.6 78.1 51 68 A V H X S+ 0 0 27 -4,-3.1 4,-2.7 1,-0.3 -1,-0.2 0.957 112.0 46.2 -55.9 -50.7 -33.1 7.3 76.6 52 69 A M H X S+ 0 0 1 -4,-1.7 4,-1.4 -5,-0.3 -1,-0.3 0.786 111.5 52.6 -62.8 -29.9 -34.3 5.5 79.7 53 70 A W H X S+ 0 0 17 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.932 108.9 49.3 -72.4 -43.5 -37.4 7.6 79.5 54 71 A N H X S+ 0 0 72 -4,-3.4 4,-3.0 1,-0.2 -2,-0.2 0.920 108.2 53.1 -59.3 -45.4 -38.0 6.6 75.9 55 72 A T H X S+ 0 0 21 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.892 111.3 47.7 -57.3 -39.6 -37.5 2.9 76.8 56 73 A A H X S+ 0 0 0 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.882 110.2 50.4 -70.1 -39.5 -40.2 3.3 79.5 57 74 A V H X S+ 0 0 25 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.926 109.6 52.4 -64.1 -42.5 -42.6 5.1 77.2 58 75 A H H X S+ 0 0 124 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.953 106.6 53.1 -55.4 -50.9 -42.1 2.4 74.7 59 76 A S H < S+ 0 0 33 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.845 110.4 48.3 -53.0 -38.8 -42.9 -0.2 77.4 60 77 A E H >< S+ 0 0 24 -4,-1.7 3,-2.8 1,-0.2 4,-0.3 0.963 107.8 51.4 -69.6 -52.7 -46.2 1.7 78.1 61 78 A F H >X S+ 0 0 67 -4,-2.9 3,-1.7 1,-0.3 4,-0.5 0.830 103.3 63.3 -54.5 -29.3 -47.3 2.0 74.6 62 79 A M T 3< S+ 0 0 73 -4,-2.0 11,-0.4 1,-0.3 4,-0.3 0.583 89.5 64.3 -73.0 -9.3 -46.7 -1.7 74.4 63 80 A H T <4 S+ 0 0 114 -3,-2.8 -1,-0.3 -4,-0.2 4,-0.2 0.457 105.5 50.0 -86.8 -2.0 -49.4 -2.3 77.0 64 81 A D T <> S+ 0 0 0 -3,-1.7 4,-2.3 -4,-0.3 -2,-0.2 0.592 78.3 98.7-107.7 -18.4 -51.6 -0.9 74.3 65 82 A H T <>S+ 0 0 53 -4,-0.5 5,-2.0 1,-0.3 3,-0.1 0.850 89.1 43.6 -36.5 -55.4 -50.5 -3.1 71.3 66 83 A A T >45S+ 0 0 43 -4,-0.3 3,-1.8 1,-0.2 -1,-0.3 0.933 109.6 55.9 -61.0 -48.2 -53.5 -5.3 71.7 67 84 A D T 345S+ 0 0 44 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.863 103.6 58.0 -51.1 -38.2 -55.9 -2.4 72.2 68 85 A Y T 3<5S- 0 0 92 -4,-2.3 -1,-0.3 -3,-0.1 -2,-0.2 0.025 131.2 -89.9 -85.6 28.1 -54.6 -1.1 68.9 69 86 A G T < 5S+ 0 0 74 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.2 0.558 89.9 120.0 79.9 9.7 -55.6 -4.2 66.9 70 87 A F S > - 0 0 90 1,-0.2 4,-1.2 90,-0.1 3,-1.0 -0.868 13.0-170.9-113.4 103.4 -33.7 -6.7 79.0 79 96 A W H 3> S+ 0 0 7 -2,-0.7 4,-2.9 1,-0.3 5,-0.2 0.885 85.7 61.8 -54.0 -46.3 -32.1 -3.8 80.8 80 97 A R H 3> S+ 0 0 102 1,-0.2 4,-2.2 87,-0.2 -1,-0.3 0.823 100.7 56.5 -54.0 -32.2 -28.6 -4.8 79.9 81 98 A V H <> S+ 0 0 62 -3,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.963 111.9 38.3 -66.0 -52.5 -29.5 -4.4 76.3 82 99 A I H X S+ 0 0 33 -4,-1.2 4,-3.5 2,-0.2 5,-0.2 0.896 113.5 57.2 -65.8 -40.3 -30.6 -0.7 76.6 83 100 A K H X S+ 0 0 28 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.960 106.1 50.3 -54.0 -53.9 -27.8 0.1 79.0 84 101 A E H X S+ 0 0 110 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.924 114.2 43.8 -50.2 -51.3 -25.2 -1.1 76.5 85 102 A K H X S+ 0 0 134 -4,-1.8 4,-3.4 2,-0.2 5,-0.2 0.929 111.4 54.1 -62.2 -45.5 -26.8 1.1 73.8 86 103 A R H X S+ 0 0 6 -4,-3.5 4,-2.9 1,-0.2 -2,-0.2 0.938 109.1 48.2 -53.4 -50.8 -27.1 4.0 76.1 87 104 A D H X S+ 0 0 67 -4,-3.1 4,-2.3 -5,-0.2 5,-0.3 0.903 112.8 50.3 -57.6 -41.2 -23.4 3.8 77.0 88 105 A A H X S+ 0 0 43 -4,-2.2 4,-3.1 -5,-0.3 -2,-0.2 0.988 110.4 47.3 -60.5 -59.7 -22.7 3.6 73.3 89 106 A Y H X S+ 0 0 88 -4,-3.4 4,-2.3 2,-0.2 5,-0.3 0.898 112.4 52.1 -47.8 -48.4 -24.8 6.6 72.4 90 107 A V H >X S+ 0 0 22 -4,-2.9 4,-3.9 -5,-0.2 3,-0.9 0.983 113.6 39.5 -53.2 -68.8 -23.2 8.6 75.3 91 108 A S H 3X S+ 0 0 64 -4,-2.3 4,-2.0 1,-0.3 -1,-0.2 0.838 111.5 61.7 -51.7 -33.7 -19.6 8.0 74.3 92 109 A R H 3X S+ 0 0 148 -4,-3.1 4,-1.1 -5,-0.3 -1,-0.3 0.923 114.3 32.7 -59.1 -45.3 -20.7 8.4 70.7 93 110 A L H X S+ 0 0 53 -4,-3.2 4,-2.2 1,-0.2 3,-0.6 0.956 108.5 45.5 -44.0 -66.4 -18.1 16.7 72.2 98 115 A Q H 3X S+ 0 0 69 -4,-2.2 4,-2.8 1,-0.3 -1,-0.2 0.862 106.5 59.6 -46.5 -48.0 -14.3 16.2 72.7 99 116 A N H 3X S+ 0 0 90 -4,-2.4 4,-2.5 1,-0.2 -1,-0.3 0.932 110.0 43.3 -48.9 -51.1 -13.6 16.9 69.1 100 117 A N H <>S+ 0 0 5 -4,-2.2 5,-1.1 1,-0.2 3,-0.8 0.883 112.3 52.6 -50.3 -38.2 -13.5 21.2 72.8 102 119 A T H ><5S+ 0 0 82 -4,-2.8 3,-1.5 -5,-0.3 -2,-0.2 0.956 107.2 47.2 -64.5 -52.5 -10.3 20.2 71.0 103 120 A K H 3<5S+ 0 0 104 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.435 98.6 73.9 -72.0 4.4 -10.7 22.5 68.0 104 121 A S T <<5S- 0 0 15 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.231 101.0-131.5 -98.6 12.0 -11.6 25.3 70.4 105 122 A H T < 5 + 0 0 126 -3,-1.5 2,-0.5 1,-0.2 -3,-0.1 0.752 53.8 152.0 43.8 32.1 -7.9 25.5 71.4 106 123 A I < - 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0 0 18 6,-0.9 -1,-0.1 -2,-0.4 6,-0.1 0.186 33.4 -84.2 -77.9-158.3 -5.2 29.1 97.5 117 134 A S S S+ 0 0 90 169,-0.1 -1,-0.1 6,-0.0 6,-0.1 -0.013 89.3 110.6-102.5 29.9 -4.4 31.7 100.2 118 135 A D - 0 0 59 4,-0.3 4,-0.2 2,-0.1 0, 0.0 -0.636 62.7-141.2-102.4 161.0 -3.1 34.4 97.8 119 136 A P S S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.830 79.5 83.0 -88.3 -36.0 -4.7 37.8 96.9 120 137 A K S S- 0 0 160 1,-0.2 2,-0.6 11,-0.0 -2,-0.1 -0.521 107.6 -81.8 -73.3 136.7 -3.9 37.8 93.2 121 138 A P S S+ 0 0 44 0, 0.0 11,-1.1 0, 0.0 2,-0.3 -0.082 81.6 139.0 -37.7 85.0 -6.4 35.8 91.0 122 139 A T E - C 0 131A 19 -2,-0.6 -6,-0.9 -4,-0.2 2,-0.3 -0.994 34.1-175.7-148.0 143.5 -5.1 32.3 91.5 123 140 A I E -BC 115 130A 0 7,-2.2 7,-2.5 -2,-0.3 2,-0.6 -0.903 24.2-128.6-127.7 156.4 -6.0 28.7 92.1 124 141 A E E -BC 114 129A 65 -10,-2.8 2,-0.7 -2,-0.3 -10,-0.7 -0.921 19.2-176.1-114.7 114.0 -3.9 25.6 92.7 125 142 A V E S-B 113 0A 0 3,-1.8 3,-0.2 -2,-0.6 -12,-0.2 -0.919 74.8 -33.6-109.3 108.8 -4.4 22.5 90.7 126 143 A S S S- 0 0 89 -2,-0.7 2,-1.8 -14,-0.6 -1,-0.2 0.945 122.7 -43.6 43.0 80.6 -2.2 19.6 91.9 127 144 A G S S+ 0 0 51 -3,-0.2 -1,-0.2 1,-0.0 -2,-0.1 -0.521 121.4 91.3 73.2 -87.4 0.8 21.7 92.9 128 145 A K - 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0 0 53 -3,-1.0 29,-2.0 1,-0.2 -3,-0.2 0.945 26.7-159.6 56.4 52.2 -54.7 38.9 80.8 412 429 A K E < -UT 439 407G 76 -5,-2.4 -5,-1.6 27,-0.2 2,-0.9 -0.443 21.5-117.7 -64.3 129.8 -51.0 38.6 80.1 413 430 A V E + T 0 406G 2 25,-2.2 -7,-0.2 -7,-0.2 24,-0.2 -0.608 48.6 159.2 -71.1 105.4 -50.0 35.0 80.0 414 431 A V E + 0 0 10 -9,-3.0 -49,-2.4 -2,-0.9 2,-0.3 0.500 61.7 32.7-105.6 -8.2 -47.5 34.9 82.9 415 432 A G E -RT 364 405G 0 -10,-1.5 -10,-3.4 -51,-0.3 2,-0.4 -0.966 51.2-179.3-155.4 136.4 -47.8 31.1 83.4 416 433 A I E +RT 363 404G 0 -53,-3.2 -53,-1.9 -2,-0.3 2,-0.4 -0.970 13.6 168.3-136.0 119.6 -48.3 27.9 81.5 417 434 A H E +RT 362 403G 1 -14,-2.2 -14,-2.2 -2,-0.4 2,-0.3 -0.996 8.3 153.9-132.8 135.3 -48.4 24.5 83.2 418 435 A M E -RT 361 402G 0 -57,-2.7 -57,-3.7 -2,-0.4 2,-0.4 -0.995 24.6-160.4-158.7 158.1 -49.4 21.2 81.8 419 436 A Q E +RT 360 401G 0 -18,-2.2 -18,-2.4 -2,-0.3 2,-0.3 -0.994 44.7 82.0-141.6 135.9 -49.1 17.4 81.9 420 437 A G S > S- 0 0 0 -61,-2.2 3,-1.2 -2,-0.4 4,-0.3 -0.862 77.4 -32.9 153.8 172.5 -50.0 15.0 79.2 421 438 A L T 3 S+ 0 0 36 -2,-0.3 32,-0.1 1,-0.2 -2,-0.0 -0.301 123.9 9.6 -57.0 134.2 -49.0 13.2 76.0 422 439 A G T >> S+ 0 0 38 1,-0.1 3,-2.6 31,-0.1 4,-1.0 0.009 89.4 117.2 86.7 -29.8 -46.8 15.4 73.8 423 440 A C H <> + 0 0 0 -3,-1.2 4,-1.2 1,-0.3 -2,-0.1 0.720 67.1 65.9 -44.3 -28.8 -46.3 18.2 76.4 424 441 A D H 34 S+ 0 0 34 -4,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.887 115.2 29.0 -64.6 -34.4 -42.6 17.5 76.4 425 442 A E H <4 S+ 0 0 150 -3,-2.6 4,-0.2 1,-0.1 -2,-0.2 0.420 114.2 66.5-103.1 1.6 -42.4 18.7 72.8 426 443 A M H X S+ 0 0 22 -4,-1.0 4,-0.7 2,-0.1 3,-0.2 0.696 88.9 64.2 -93.9 -21.8 -45.4 21.1 73.1 427 444 A L H X S+ 0 0 3 -4,-1.2 4,-2.5 -5,-0.2 3,-0.5 0.896 81.1 70.9 -73.0 -46.1 -43.9 23.7 75.5 428 445 A Q H > S+ 0 0 125 -4,-0.3 4,-1.8 1,-0.3 -1,-0.2 0.827 100.5 48.7 -42.5 -46.7 -41.0 25.3 73.7 429 446 A G H > S+ 0 0 52 -4,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.913 112.9 46.2 -63.8 -44.9 -43.2 27.2 71.3 430 447 A F H X S+ 0 0 37 -4,-0.7 4,-2.8 -3,-0.5 -1,-0.2 0.835 106.8 58.8 -68.2 -31.8 -45.5 28.5 74.0 431 448 A A H X S+ 0 0 6 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.937 103.9 53.1 -61.5 -43.6 -42.5 29.5 76.1 432 449 A V H X S+ 0 0 84 -4,-1.8 4,-1.0 -5,-0.2 -1,-0.2 0.933 110.6 45.9 -54.7 -49.3 -41.4 31.7 73.3 433 450 A A H ><>S+ 0 0 29 -4,-1.6 5,-1.9 1,-0.2 3,-0.8 0.923 110.6 54.2 -60.7 -45.0 -44.8 33.4 73.1 434 451 A V H ><5S+ 0 0 6 -4,-2.8 3,-0.7 1,-0.3 -1,-0.2 0.820 105.7 51.6 -60.7 -34.1 -44.8 33.8 76.9 435 452 A K H 3<5S+ 0 0 116 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.702 103.8 58.6 -77.8 -18.2 -41.4 35.6 77.0 436 453 A M T <<5S- 0 0 159 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.570 125.1-103.9 -83.3 -10.1 -42.7 38.0 74.3 437 454 A G T < 5 - 0 0 25 -3,-0.7 -3,-0.2 -4,-0.5 -2,-0.1 0.764 51.2-170.1 92.7 29.9 -45.5 39.0 76.7 438 455 A A < - 0 0 4 -5,-1.9 -25,-2.2 -26,-0.1 2,-0.3 -0.021 6.5-147.4 -50.5 155.1 -48.3 37.1 75.0 439 456 A T B > -U 412 0G 21 -27,-0.3 4,-1.7 1,-0.1 3,-0.3 -0.763 32.6-100.5-121.0 168.2 -51.8 37.7 76.3 440 457 A K H > S+ 0 0 10 -29,-2.0 4,-2.6 -30,-0.5 5,-0.1 0.890 127.8 54.9 -55.9 -34.4 -54.8 35.4 76.5 441 458 A A H > S+ 0 0 44 -31,-0.4 4,-1.9 1,-0.2 -1,-0.3 0.877 99.7 57.9 -65.9 -39.9 -55.8 37.2 73.2 442 459 A D H 4 S+ 0 0 81 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.896 111.4 43.1 -58.6 -38.5 -52.6 36.3 71.5 443 460 A F H >< S+ 0 0 9 -4,-1.7 3,-1.6 1,-0.2 -2,-0.2 0.951 114.5 49.6 -70.2 -49.8 -53.3 32.7 72.2 444 461 A D H 3< S+ 0 0 49 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.649 102.8 59.5 -66.3 -17.9 -57.0 33.0 71.2 445 462 A N T 3< S+ 0 0 130 -4,-1.9 2,-0.6 -5,-0.1 -1,-0.3 0.500 88.5 94.3 -87.8 -1.9 -56.2 34.8 67.9 446 463 A T S < S- 0 0 80 -3,-1.6 2,-0.1 -5,-0.2 -4,-0.0 -0.796 83.1-120.4 -94.8 123.7 -54.2 31.8 66.8 447 464 A V - 0 0 129 -2,-0.6 -2,-0.1 1,-0.1 12,-0.1 -0.388 32.8-111.0 -64.6 133.3 -56.0 29.2 64.8 448 465 A A - 0 0 35 -2,-0.1 2,-1.0 10,-0.1 -1,-0.1 -0.283 13.9-132.9 -65.8 145.7 -56.1 25.8 66.3 449 466 A I - 0 0 114 -2,-0.0 6,-0.5 4,-0.0 3,-0.2 -0.841 43.0-127.3-100.3 93.2 -54.2 22.8 64.9 450 467 A H S S+ 0 0 140 -2,-1.0 3,-0.1 1,-0.3 4,-0.0 -0.737 78.0 21.9 -98.6 140.0 -56.9 20.2 64.9 451 468 A P S S+ 0 0 70 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.357 97.7 94.5-103.7 122.3 -56.8 17.5 66.0 452 469 A T S S- 0 0 59 -3,-0.2 4,-0.1 1,-0.1 -63,-0.1 -0.836 73.5-115.0-146.2-177.3 -54.0 17.7 68.6 453 470 A S S > S+ 0 0 23 -2,-0.3 3,-2.5 2,-0.1 4,-0.4 0.822 109.0 68.1 -91.9 -38.3 -53.7 18.4 72.3 454 471 A S G >> S+ 0 0 31 1,-0.3 3,-2.2 2,-0.2 4,-0.5 0.816 87.4 67.2 -47.3 -40.0 -51.8 21.6 71.7 455 472 A E G >4 S+ 0 0 22 -6,-0.5 3,-0.8 1,-0.3 -1,-0.3 0.749 85.2 71.5 -57.3 -24.9 -54.9 23.2 70.2 456 473 A E G X4 S+ 0 0 51 -3,-2.5 3,-0.8 1,-0.2 -1,-0.3 0.767 89.7 62.0 -63.3 -23.9 -56.5 23.1 73.7 457 474 A L G <4 S+ 0 0 0 -3,-2.2 3,-0.5 -4,-0.4 -1,-0.2 0.814 105.4 43.9 -72.5 -30.1 -54.0 25.8 74.7 458 475 A V G << S+ 0 0 14 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.268 115.0 50.6 -97.4 11.5 -55.4 28.3 72.2 459 476 A T S < S+ 0 0 37 -3,-0.8 2,-0.3 -4,-0.2 -1,-0.2 0.054 70.7 141.5-133.8 25.1 -59.0 27.4 73.0 460 477 A L 0 0 4 -3,-0.5 -76,-0.1 -20,-0.1 -16,-0.1 -0.560 360.0 360.0 -71.8 127.4 -59.1 27.7 76.8 461 478 A R 0 0 192 -2,-0.3 -78,-0.4 -78,-0.1 -2,-0.1 -0.749 360.0 360.0-121.5 360.0 -62.4 29.2 77.9