==== 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 1GRE . COMPND 2 MOLECULE: GLUTATHIONE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.A.KARPLUS,G.E.SCHULZ . 461 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22573.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 69.8 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 . 35 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 1 2 0 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,-0.4 0, 0.0 129,-0.2 0.000 360.0 360.0 360.0 106.3 34.5 50.9 30.5 2 19 A A E -a 130 0A 44 127,-1.6 129,-2.5 130,-0.0 2,-0.3 -0.610 360.0-149.0 -80.3 131.2 36.2 47.6 30.1 3 20 A S E +a 131 0A 82 -2,-0.4 2,-0.3 127,-0.2 129,-0.2 -0.799 19.0 173.2-107.1 144.7 38.6 46.8 32.9 4 21 A Y - 0 0 22 127,-1.7 130,-0.2 -2,-0.3 25,-0.2 -0.837 40.1-120.9-134.5 172.6 41.8 44.7 32.8 5 22 A D S S+ 0 0 72 23,-2.7 129,-0.4 1,-0.3 2,-0.4 0.758 101.9 18.0 -83.1 -32.7 44.6 44.0 35.3 6 23 A Y E -d 29 0B 0 22,-1.7 24,-1.7 127,-0.1 2,-0.5 -0.977 62.8-168.0-148.1 126.7 47.1 45.5 33.0 7 24 A L E -de 30 135B 0 127,-1.8 129,-2.9 -2,-0.4 2,-0.5 -0.980 10.8-164.3-115.1 120.8 46.8 47.8 30.1 8 25 A V E -de 31 136B 0 22,-2.5 24,-3.4 -2,-0.5 2,-0.8 -0.901 6.5-154.5-112.3 121.0 49.9 48.3 27.9 9 26 A I E +de 32 137B 6 127,-3.0 129,-3.2 -2,-0.5 24,-0.1 -0.888 69.2 31.0 -98.0 105.2 50.1 51.2 25.4 10 27 A G - 0 0 8 22,-2.5 23,-0.2 -2,-0.8 22,-0.1 0.239 65.5-136.8 119.4 126.8 52.4 50.4 22.6 11 28 A G + 0 0 0 4,-0.1 27,-2.5 20,-0.1 28,-0.2 -0.137 66.1 106.9-105.1 42.1 53.1 47.0 21.0 12 29 A G S > S- 0 0 13 126,-0.5 4,-3.1 25,-0.2 5,-0.3 -0.157 90.6 -63.1 -98.2-160.4 56.9 47.3 20.7 13 30 A S H > S+ 0 0 23 25,-0.4 4,-2.0 1,-0.2 5,-0.2 0.855 133.0 42.5 -51.2 -55.3 59.7 45.6 22.6 14 31 A G H > S+ 0 0 6 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.917 118.9 43.4 -61.8 -48.8 59.0 47.0 25.9 15 32 A G H > S+ 0 0 0 123,-0.3 4,-2.3 2,-0.2 5,-0.2 0.900 115.7 46.8 -66.2 -47.8 55.1 46.7 25.7 16 33 A L H X S+ 0 0 10 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.919 114.0 48.1 -61.2 -49.6 55.1 43.2 24.3 17 34 A A H X S+ 0 0 8 -4,-2.0 4,-1.6 -5,-0.3 -2,-0.2 0.898 114.4 45.6 -59.7 -44.9 57.7 41.9 26.8 18 35 A S H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.931 114.2 48.0 -65.8 -47.2 55.9 43.4 29.8 19 36 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.920 111.7 49.9 -62.3 -42.7 52.4 42.2 28.7 20 37 A R H X S+ 0 0 77 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.856 113.1 45.6 -62.9 -39.7 53.7 38.6 28.0 21 38 A R H X S+ 0 0 58 -4,-1.6 4,-1.0 -5,-0.2 -2,-0.2 0.926 112.5 50.4 -73.4 -40.2 55.4 38.3 31.4 22 39 A A H ><>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 3,-0.8 0.915 107.6 54.5 -62.8 -43.0 52.4 39.8 33.3 23 40 A A H ><5S+ 0 0 20 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.901 104.2 55.1 -58.6 -38.2 50.1 37.3 31.5 24 41 A E H 3<5S+ 0 0 131 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.785 103.7 55.5 -62.9 -28.6 52.3 34.4 32.7 25 42 A L T <<5S- 0 0 55 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.405 130.0 -94.5 -85.2 -1.4 51.7 35.7 36.2 26 43 A G T < 5S+ 0 0 62 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.340 75.4 146.1 108.6 -6.6 47.9 35.5 35.8 27 44 A A < - 0 0 11 -5,-2.2 2,-0.9 -6,-0.2 -1,-0.3 -0.403 49.8-133.7 -67.6 142.8 47.2 39.1 34.8 28 45 A R + 0 0 100 -2,-0.1 -23,-2.7 78,-0.1 -22,-1.7 -0.858 43.7 177.5 -93.1 103.7 44.4 39.7 32.4 29 46 A A E -d 6 0B 1 -2,-0.9 78,-2.0 76,-0.3 2,-0.3 -0.820 25.7-165.0-115.6 157.2 46.2 42.1 30.0 30 47 A A E -df 7 107B 0 -24,-1.7 -22,-2.5 -2,-0.3 2,-0.5 -0.978 11.5-148.1-136.6 144.0 45.5 44.0 26.8 31 48 A V E -df 8 108B 0 76,-2.8 78,-2.9 -2,-0.3 2,-0.5 -0.982 9.1-150.5-115.9 122.9 48.1 45.7 24.4 32 49 A V E +df 9 109B 2 -24,-3.4 -22,-2.5 -2,-0.5 2,-0.4 -0.808 22.2 173.2 -90.9 125.1 47.0 48.8 22.5 33 50 A E E - f 0 110B 21 76,-2.6 78,-2.3 -2,-0.5 4,-0.1 -0.981 23.1-174.0-138.5 125.4 48.8 49.2 19.1 34 51 A S S S+ 0 0 52 -2,-0.4 78,-0.2 76,-0.2 -1,-0.1 0.696 79.2 12.0 -90.7 -19.2 48.1 51.7 16.5 35 52 A H S S- 0 0 150 1,-0.1 2,-0.4 76,-0.1 -2,-0.1 0.182 112.8 -21.9-122.7-115.7 50.5 50.3 13.8 36 53 A K > - 0 0 124 -2,-0.0 3,-1.6 1,-0.0 7,-0.2 -0.856 59.7-114.7-111.7 142.5 52.4 47.1 13.5 37 54 A L T 3 S+ 0 0 14 -2,-0.4 -25,-0.2 1,-0.2 60,-0.1 -0.360 101.0 48.4 -68.6 152.8 53.3 44.8 16.3 38 55 A G T 3> S- 0 0 2 -27,-2.5 4,-1.5 59,-0.1 3,-0.4 0.006 90.7-156.9 103.5 -21.9 57.0 44.4 16.9 39 56 A G H <> - 0 0 16 -3,-1.6 4,-2.1 -28,-0.2 5,-0.4 -0.063 58.9 -17.2 53.6-139.0 57.2 48.3 16.9 40 57 A T H >>S+ 0 0 54 1,-0.2 4,-1.3 3,-0.2 5,-0.7 0.929 133.7 60.4 -65.9 -43.1 60.6 49.8 16.1 41 58 A C H 45S+ 0 0 24 -3,-0.4 6,-2.5 1,-0.2 4,-0.4 0.925 118.8 27.3 -50.2 -51.1 62.7 46.6 16.7 42 59 A V H <5S+ 0 0 4 -4,-1.5 -1,-0.2 4,-0.2 -2,-0.2 0.908 128.6 35.9 -78.7 -51.2 60.9 44.6 14.0 43 60 A N H <5S+ 0 0 28 -4,-2.1 -3,-0.2 -7,-0.2 -2,-0.1 0.867 134.1 0.1 -77.4 -46.7 59.7 47.2 11.5 44 61 A V T <5S+ 0 0 40 -4,-1.3 -3,-0.2 -5,-0.4 -1,-0.1 0.035 122.3 35.7-138.5 30.2 62.2 49.9 11.2 45 62 A G S > S+ 0 0 51 1,-0.2 4,-2.3 2,-0.2 -4,-0.2 0.816 123.6 41.2 -36.7 -66.9 67.1 46.2 14.8 47 64 A V H > S+ 0 0 29 -6,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.970 118.5 40.2 -58.0 -63.6 65.9 43.5 12.4 48 65 A P H > S+ 0 0 1 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.864 117.0 53.6 -57.4 -33.5 65.8 45.3 9.0 49 66 A K H X S+ 0 0 25 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.943 107.8 49.0 -62.2 -48.1 69.1 47.0 10.0 50 67 A K H X S+ 0 0 60 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.864 109.3 52.1 -62.4 -42.3 70.9 43.7 10.8 51 68 A V H X S+ 0 0 28 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.908 111.1 47.3 -58.2 -45.5 69.7 42.2 7.5 52 69 A M H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.853 111.0 52.9 -63.3 -36.6 71.2 45.2 5.6 53 70 A W H X S+ 0 0 17 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.943 106.2 51.3 -65.0 -45.2 74.4 44.8 7.7 54 71 A N H X S+ 0 0 80 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.852 110.8 51.9 -58.0 -36.1 74.7 41.1 6.8 55 72 A T H X S+ 0 0 20 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.919 109.0 46.7 -67.7 -46.7 74.3 42.3 3.2 56 73 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 3,-0.3 0.909 108.1 58.6 -63.8 -35.9 77.1 45.0 3.4 57 74 A V H X S+ 0 0 24 -4,-2.7 4,-2.4 1,-0.3 -1,-0.2 0.880 102.2 53.3 -60.1 -39.0 79.3 42.3 5.1 58 75 A H H X S+ 0 0 150 -4,-1.3 4,-2.4 1,-0.2 -1,-0.3 0.862 104.5 56.8 -60.6 -42.0 78.9 40.1 2.0 59 76 A S H X S+ 0 0 19 -4,-1.4 4,-0.5 -3,-0.3 -2,-0.2 0.911 110.3 43.3 -55.6 -52.5 80.1 43.1 -0.1 60 77 A E H >X S+ 0 0 24 -4,-1.9 3,-1.2 2,-0.2 4,-0.6 0.899 112.6 49.9 -61.9 -50.4 83.4 43.4 1.9 61 78 A F H >< S+ 0 0 75 -4,-2.4 3,-2.4 1,-0.3 4,-0.5 0.957 104.0 60.5 -57.5 -43.0 84.1 39.7 2.1 62 79 A M H 3< S+ 0 0 60 -4,-2.4 3,-0.4 1,-0.3 11,-0.4 0.710 96.0 63.0 -55.7 -20.2 83.6 39.6 -1.7 63 80 A H H << S+ 0 0 116 -3,-1.2 -1,-0.3 -4,-0.5 4,-0.3 0.735 104.4 48.2 -74.3 -23.2 86.5 42.1 -2.0 64 81 A D S S+ 0 0 67 -4,-0.5 5,-2.1 -3,-0.4 3,-0.4 0.891 82.5 46.4 -51.8 -49.1 87.6 36.7 -2.8 66 83 A A T >45S+ 0 0 51 -4,-0.3 3,-2.0 1,-0.2 -1,-0.2 0.917 108.2 56.5 -66.9 -39.1 90.6 36.9 -5.1 67 84 A D T 345S+ 0 0 50 1,-0.3 -1,-0.2 -4,-0.3 -2,-0.2 0.798 104.2 55.7 -59.4 -29.7 93.1 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 0.323 128.1 -93.9 -91.6 10.9 91.7 33.8 -1.0 69 86 A G T < 5S+ 0 0 70 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.580 87.5 118.6 94.8 11.7 92.2 31.9 -4.2 70 87 A F S > - 0 0 85 -2,-0.2 4,-1.0 1,-0.2 3,-0.6 -0.853 14.5-170.5-109.7 104.7 70.8 44.4 -6.7 79 96 A W H 3> S+ 0 0 8 -2,-0.8 4,-2.5 1,-0.2 3,-0.2 0.880 80.3 59.7 -60.8 -42.3 69.0 46.4 -4.0 80 97 A R H 3> S+ 0 0 104 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.846 98.5 58.9 -61.9 -26.9 65.5 45.2 -4.9 81 98 A V H <> S+ 0 0 63 -3,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.935 113.5 34.9 -64.4 -50.4 66.3 41.6 -4.3 82 99 A I H X S+ 0 0 33 -4,-1.0 4,-2.6 -3,-0.2 5,-0.3 0.828 113.3 60.6 -80.0 -29.5 67.3 42.0 -0.8 83 100 A K H X S+ 0 0 22 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.959 106.2 46.2 -62.4 -41.7 64.8 44.6 -0.1 84 101 A E H X S+ 0 0 88 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.889 114.3 47.3 -66.3 -39.0 62.0 42.3 -1.0 85 102 A K H X S+ 0 0 136 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.843 110.4 52.9 -70.6 -35.9 63.4 39.4 1.1 86 103 A R H X S+ 0 0 3 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.927 109.0 49.4 -63.9 -48.8 63.9 41.8 4.0 87 104 A D H X S+ 0 0 61 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.860 109.4 52.1 -58.6 -39.7 60.3 43.0 3.9 88 105 A A H X S+ 0 0 42 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.889 107.4 52.4 -63.0 -41.7 59.0 39.5 3.8 89 106 A Y H X S+ 0 0 89 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.902 108.5 50.2 -64.3 -40.2 61.0 38.6 6.8 90 107 A V H X S+ 0 0 14 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.877 108.5 53.2 -61.3 -42.5 59.6 41.5 8.6 91 108 A S H X S+ 0 0 71 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.847 106.7 53.1 -60.1 -40.0 56.1 40.3 7.6 92 109 A R H X S+ 0 0 142 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.887 109.4 48.6 -62.8 -40.7 56.9 36.9 9.1 93 110 A L H X S+ 0 0 19 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.861 106.0 55.6 -69.4 -40.0 57.9 38.5 12.4 94 111 A N H X S+ 0 0 27 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.920 110.2 47.3 -58.7 -39.3 54.7 40.6 12.6 95 112 A A H X S+ 0 0 62 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.899 110.6 51.5 -71.0 -35.1 52.7 37.4 12.3 96 113 A I H X S+ 0 0 81 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.880 110.3 48.0 -64.8 -44.1 54.7 35.6 14.9 97 114 A Y H X S+ 0 0 74 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.824 109.5 52.8 -69.8 -32.9 54.3 38.4 17.5 98 115 A Q H X S+ 0 0 87 -4,-1.6 4,-2.2 -5,-0.2 3,-0.2 0.950 111.5 47.1 -65.7 -43.2 50.6 38.6 16.9 99 116 A N H X S+ 0 0 75 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.896 106.1 57.9 -64.7 -38.6 50.5 34.8 17.5 100 117 A N H X S+ 0 0 29 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.893 108.1 47.7 -60.6 -37.5 52.6 35.2 20.6 101 118 A L H ><>S+ 0 0 0 -4,-1.6 5,-2.4 -3,-0.2 3,-1.1 0.967 111.6 49.9 -68.7 -50.1 50.0 37.6 22.1 102 119 A T H ><5S+ 0 0 69 -4,-2.2 3,-2.0 1,-0.3 -2,-0.2 0.909 107.4 51.8 -56.1 -48.8 47.1 35.3 21.2 103 120 A K H 3<5S+ 0 0 129 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.726 110.0 51.1 -63.7 -21.0 48.6 32.1 22.7 104 121 A S T <<5S- 0 0 37 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.430 115.7-118.2 -92.2 -5.8 49.1 34.1 25.9 105 122 A H T < 5 + 0 0 151 -3,-2.0 2,-0.6 -4,-0.4 -76,-0.3 0.800 60.0 154.5 72.2 31.1 45.5 35.3 25.9 106 123 A I < - 0 0 6 -5,-2.4 -1,-0.3 -6,-0.1 -76,-0.2 -0.789 41.8-130.0 -90.5 130.5 46.5 38.9 25.6 107 124 A E E -f 30 0B 83 -78,-2.0 -76,-2.8 -2,-0.6 2,-0.5 -0.502 14.4-146.6 -77.7 142.7 43.9 41.0 24.0 108 125 A I E -f 31 0B 27 -78,-0.2 2,-0.6 -2,-0.2 -76,-0.2 -0.950 8.5-164.1-111.3 115.2 45.1 43.3 21.1 109 126 A I E -f 32 0B 12 -78,-2.9 -76,-2.6 -2,-0.5 2,-0.5 -0.924 13.4-149.1-102.2 112.9 43.3 46.6 20.9 110 127 A R E +f 33 0B 165 -2,-0.6 -76,-0.2 -78,-0.2 2,-0.2 -0.763 52.7 52.0 -88.7 127.3 44.0 48.2 17.5 111 128 A G S S- 0 0 18 -78,-2.3 2,-0.5 -2,-0.5 -76,-0.1 -0.804 90.1 -53.2 141.5-179.0 44.1 52.0 17.3 112 129 A H - 0 0 99 -2,-0.2 14,-0.5 -78,-0.2 2,-0.3 -0.792 50.0-146.7 -98.3 124.1 45.7 55.1 18.8 113 130 A A + 0 0 5 -2,-0.5 2,-0.3 12,-0.1 12,-0.2 -0.699 19.4 174.0 -90.0 150.9 45.3 55.4 22.6 114 131 A A E -B 124 0A 22 10,-1.1 10,-2.8 -2,-0.3 168,-0.2 -0.974 32.8-111.0-150.0 142.6 45.0 58.7 24.6 115 132 A F E -B 123 0A 4 166,-3.1 8,-0.3 -2,-0.3 2,-0.2 -0.389 33.9-134.9 -70.2 154.5 44.3 59.4 28.3 116 133 A T - 0 0 10 6,-3.1 6,-0.3 2,-0.1 -1,-0.1 -0.609 21.1-110.2-106.8 177.0 41.0 60.8 29.3 117 134 A S S S+ 0 0 91 -2,-0.2 -1,-0.1 4,-0.1 6,-0.0 0.682 77.2 125.7 -74.1 -21.7 39.9 63.6 31.7 118 135 A D - 0 0 52 4,-0.1 4,-0.3 1,-0.1 -2,-0.1 -0.029 68.2-125.6 -47.9 141.8 38.5 60.9 34.0 119 136 A P S S+ 0 0 117 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.952 98.0 56.4 -55.4 -69.4 39.6 60.8 37.5 120 137 A K S S- 0 0 125 1,-0.1 -2,-0.0 11,-0.0 0, 0.0 -0.551 116.0 -89.2 -70.6 129.6 40.8 57.2 37.7 121 138 A P + 0 0 30 0, 0.0 11,-0.6 0, 0.0 2,-0.3 -0.158 64.6 165.4 -45.7 118.9 43.3 56.8 34.9 122 139 A T E - C 0 131A 2 -4,-0.3 -6,-3.1 -6,-0.3 2,-0.3 -0.992 21.7-154.3-141.5 140.5 41.4 55.8 31.8 123 140 A I E -BC 115 130A 0 7,-2.1 7,-2.5 -2,-0.3 2,-0.4 -0.847 5.8-146.2-113.4 160.5 42.3 55.7 28.1 124 141 A E E -BC 114 129A 81 -10,-2.8 -10,-1.1 -2,-0.3 2,-0.4 -0.971 12.7-178.7-125.2 134.5 40.2 55.9 25.0 125 142 A V E > S- C 0 128A 3 3,-2.8 3,-1.4 -2,-0.4 -12,-0.1 -0.943 76.8 -20.9-136.3 110.3 40.8 54.1 21.7 126 143 A S T 3 S- 0 0 106 -14,-0.5 3,-0.1 -2,-0.4 -1,-0.1 0.902 128.0 -48.1 59.7 44.6 38.4 54.7 18.8 127 144 A G T 3 S+ 0 0 56 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.138 116.7 107.6 85.9 -21.1 35.5 55.9 21.1 128 145 A K E < - 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0 0 47 -3,-0.8 29,-1.7 -4,-0.5 -3,-0.2 0.954 27.5-162.6 63.4 56.2 91.8 45.9 39.3 412 429 A K E < -UT 439 407G 93 -5,-2.4 -5,-2.0 27,-0.2 2,-0.9 -0.460 22.9-115.5 -67.3 137.2 88.2 45.4 39.1 413 430 A V E + T 0 406G 3 25,-2.7 -7,-0.2 -7,-0.2 24,-0.1 -0.630 46.5 161.5 -77.7 108.1 87.0 45.4 35.5 414 431 A V E + 0 0 9 -9,-2.4 -49,-2.8 -2,-0.9 2,-0.3 0.526 61.5 17.5-105.2 -5.2 84.8 48.4 35.1 415 432 A G E -RT 364 405G 0 -10,-1.2 -10,-3.1 -51,-0.3 2,-0.4 -0.933 51.7-168.4-167.9 139.4 84.8 48.8 31.3 416 433 A I E +RT 363 404G 0 -53,-2.1 -53,-2.2 -2,-0.3 2,-0.4 -0.996 13.2 178.0-129.8 131.8 85.6 46.9 28.1 417 434 A H E +RT 362 403G 0 -14,-2.1 -14,-3.0 -2,-0.4 2,-0.3 -0.998 10.2 154.8-139.4 130.2 85.8 48.6 24.7 418 435 A M E -RT 361 402G 0 -57,-2.1 -57,-2.0 -2,-0.4 2,-0.3 -0.987 24.2-166.9-153.9 158.6 86.6 47.0 21.4 419 436 A Q E +RT 360 401G 1 -18,-2.0 -18,-2.3 -2,-0.3 2,-0.3 -0.981 43.3 90.4-144.6 133.4 86.3 47.2 17.6 420 437 A G S > S- 0 0 0 -61,-2.1 3,-2.1 -2,-0.3 4,-0.3 -0.859 76.0 -45.1 159.5 166.0 87.1 44.4 15.3 421 438 A L T 3 S+ 0 0 37 1,-0.3 32,-0.1 -2,-0.3 -2,-0.1 -0.336 124.0 16.6 -54.5 129.9 86.0 41.3 13.4 422 439 A G T >> S+ 0 0 39 1,-0.1 4,-1.1 31,-0.1 3,-0.9 0.288 88.0 118.3 89.1 -13.1 83.9 39.1 15.7 423 440 A C H <> + 0 0 0 -3,-2.1 4,-1.1 1,-0.2 -2,-0.1 0.708 65.4 64.8 -61.3 -24.0 83.3 41.8 18.3 424 441 A D H 34 S+ 0 0 35 -4,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.875 113.0 32.0 -66.2 -36.7 79.6 41.6 17.8 425 442 A E H <4 S+ 0 0 151 -3,-0.9 4,-0.3 1,-0.1 -2,-0.2 0.542 113.1 64.3 -95.3 -10.0 79.3 38.0 19.1 426 443 A M H X S+ 0 0 25 -4,-1.1 4,-0.8 1,-0.1 3,-0.3 0.770 87.9 67.9 -84.3 -31.5 82.2 38.3 21.6 427 444 A L H X S+ 0 0 3 -4,-1.1 4,-2.2 1,-0.2 3,-0.4 0.837 80.6 72.6 -61.2 -45.6 80.8 40.9 23.9 428 445 A Q H > S+ 0 0 132 -4,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.870 100.1 41.2 -43.3 -57.8 77.9 39.0 25.6 429 446 A G H > S+ 0 0 49 -4,-0.3 4,-1.9 -3,-0.3 -1,-0.2 0.840 113.0 52.7 -68.2 -32.6 79.8 36.7 27.9 430 447 A F H X S+ 0 0 33 -4,-0.8 4,-2.9 -3,-0.4 5,-0.2 0.891 105.3 57.5 -69.9 -26.6 82.4 39.3 28.9 431 448 A A H X S+ 0 0 7 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.855 103.8 52.7 -67.0 -32.3 79.4 41.4 29.8 432 449 A V H X S+ 0 0 81 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.947 111.0 46.3 -62.9 -48.4 78.3 38.6 32.2 433 450 A A H <>S+ 0 0 27 -4,-1.9 5,-2.0 2,-0.2 4,-0.4 0.897 112.2 50.2 -62.1 -41.4 81.7 38.6 33.8 434 451 A V H ><5S+ 0 0 5 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.931 109.7 51.3 -65.4 -43.2 81.7 42.4 34.1 435 452 A K H 3<5S+ 0 0 112 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.855 106.8 54.2 -57.9 -38.3 78.2 42.3 35.7 436 453 A M T 3<5S- 0 0 160 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.477 121.2-108.6 -77.0 -8.4 79.5 39.7 38.2 437 454 A G T < 5 - 0 0 34 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.856 49.7-177.1 85.0 40.9 82.3 42.0 39.3 438 455 A A < - 0 0 9 -5,-2.0 -25,-2.7 -25,-0.1 2,-0.2 -0.262 12.4-146.5 -68.2 156.3 85.3 40.2 37.8 439 456 A T B > -U 412 0G 33 -27,-0.3 4,-1.4 -33,-0.1 3,-0.4 -0.628 34.5 -95.6-111.2 177.5 88.7 41.5 38.3 440 457 A K H > S+ 0 0 6 -29,-1.7 4,-2.9 -30,-0.5 5,-0.2 0.874 124.1 59.6 -66.5 -31.2 91.6 41.3 35.9 441 458 A A H > S+ 0 0 48 -31,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.873 100.2 56.2 -65.4 -32.0 92.9 38.2 37.7 442 459 A D H 4 S+ 0 0 86 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.935 111.8 42.6 -66.4 -41.1 89.6 36.5 36.8 443 460 A F H >< S+ 0 0 7 -4,-1.4 3,-1.6 1,-0.2 -2,-0.2 0.922 114.4 50.5 -64.6 -48.1 90.2 37.2 33.2 444 461 A D H 3< S+ 0 0 69 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.767 105.5 57.4 -64.8 -26.9 93.8 36.3 33.4 445 462 A N T 3< S+ 0 0 132 -4,-2.2 2,-0.5 -5,-0.2 -1,-0.3 0.417 85.8 94.0 -86.3 2.1 93.0 33.0 35.1 446 463 A T S < S- 0 0 86 -3,-1.6 2,-0.1 -4,-0.2 -4,-0.0 -0.817 83.0-119.0 -95.2 125.0 90.7 31.8 32.2 447 464 A V - 0 0 131 -2,-0.5 -2,-0.1 1,-0.1 12,-0.1 -0.465 34.0-115.0 -63.6 138.4 92.5 29.7 29.6 448 465 A A - 0 0 38 -2,-0.1 2,-0.5 -4,-0.1 -1,-0.1 -0.215 11.0-130.1 -73.3 160.6 92.6 31.2 26.1 449 466 A I - 0 0 116 -2,-0.0 6,-0.4 3,-0.0 3,-0.4 -0.978 38.5-121.5-114.0 117.1 91.0 29.9 23.0 450 467 A H S S+ 0 0 140 -2,-0.5 3,-0.1 1,-0.3 0, 0.0 -0.930 81.0 14.7-120.5 137.6 93.5 29.9 20.1 451 468 A P S S+ 0 0 80 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.435 96.8 107.3 -96.9 129.3 93.4 31.1 17.4 452 469 A T - 0 0 52 -3,-0.4 4,-0.1 1,-0.1 -30,-0.0 -0.921 69.2-122.3-147.2 169.8 90.7 33.7 18.0 453 470 A S S > S+ 0 0 23 -2,-0.3 3,-2.2 1,-0.2 4,-0.3 0.846 107.6 67.6 -80.0 -36.9 90.4 37.5 18.4 454 471 A S G > S+ 0 0 32 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.762 84.4 68.6 -53.7 -33.9 88.6 36.9 21.7 455 472 A E G > S+ 0 0 25 -6,-0.4 3,-1.2 1,-0.2 4,-0.4 0.736 83.8 74.6 -61.7 -19.3 91.7 35.4 23.4 456 473 A E G X S+ 0 0 55 -3,-2.2 3,-0.8 1,-0.3 -1,-0.2 0.831 90.8 56.1 -64.8 -29.1 93.3 38.9 23.3 457 474 A L G < S+ 0 0 0 -3,-1.3 3,-0.3 -4,-0.3 -1,-0.3 0.671 107.4 47.6 -76.3 -19.6 91.1 40.1 26.1 458 475 A V G < S+ 0 0 16 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.389 112.3 48.9-102.0 2.3 92.3 37.3 28.4 459 476 A T S < S+ 0 0 74 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 -0.003 75.0 142.5-129.9 27.1 96.0 37.8 27.7 460 477 A L 0 0 6 -3,-0.3 -76,-0.1 1,-0.2 -3,-0.1 -0.445 360.0 360.0 -68.7 141.1 96.4 41.5 28.2 461 478 A R 0 0 272 -78,-0.2 -1,-0.2 -2,-0.1 -77,-0.1 0.559 360.0 360.0-140.2 360.0 99.6 42.7 29.9