==== 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 12-FEB-97 4GRT . COMPND 2 MOLECULE: GLUTATHIONE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.S.STOLL,S.J.SIMPSON,R.L.KRAUTH-SIEGEL,C.T.WALSH,E.F.PAI . 461 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22243.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 14.1 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 . 42 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.0 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 3 2 0 2 0 0 0 0 2 0 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 1 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 0 1 3 1 1 3 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 . 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 0 114 0, 0.0 2,-0.6 0, 0.0 129,-0.2 0.000 360.0 360.0 360.0 113.8 35.4 51.2 30.8 2 19 A A E -a 130 0A 40 127,-1.4 129,-2.2 130,-0.0 2,-0.3 -0.775 360.0-148.8 -86.9 116.4 37.1 47.8 30.6 3 20 A S E +a 131 0A 85 -2,-0.6 129,-0.2 127,-0.2 2,-0.2 -0.707 22.7 167.9 -89.9 137.0 39.2 47.2 33.7 4 21 A Y - 0 0 18 127,-1.7 25,-0.2 -2,-0.3 3,-0.1 -0.658 42.8-123.8-130.0-173.2 42.4 45.2 33.6 5 22 A D S S+ 0 0 79 23,-3.1 129,-0.6 1,-0.4 2,-0.4 0.585 100.3 26.1-105.7 -26.9 45.3 44.6 35.9 6 23 A Y E -de 29 134B 0 22,-1.8 24,-1.0 125,-0.1 2,-0.4 -0.997 59.4-178.9-142.7 136.5 47.8 45.7 33.4 7 24 A L E -de 30 135B 0 127,-1.6 129,-2.5 -2,-0.4 2,-0.5 -0.986 10.5-170.7-135.2 114.9 47.4 48.2 30.5 8 25 A V E -de 31 136B 0 22,-1.7 24,-2.7 -2,-0.4 2,-0.4 -0.972 9.6-152.3-115.0 116.7 50.6 48.6 28.4 9 26 A I E +de 32 137B 6 127,-3.3 129,-2.7 -2,-0.5 24,-0.2 -0.793 69.0 32.2 -87.6 135.9 50.5 51.5 25.8 10 27 A G S S- 0 0 11 22,-2.8 22,-0.2 -2,-0.4 23,-0.2 0.232 70.1-137.1 91.0 134.8 52.8 50.9 22.8 11 28 A G + 0 0 0 25,-0.2 27,-2.0 20,-0.1 28,-0.4 -0.164 63.3 108.6-118.8 40.0 53.4 47.3 21.5 12 29 A G S > S- 0 0 13 126,-0.5 4,-2.0 2,-0.4 5,-0.3 -0.073 88.6 -60.3 -95.0-157.3 57.2 47.4 20.9 13 30 A S H > S+ 0 0 26 25,-0.3 4,-1.9 2,-0.2 5,-0.3 0.955 124.8 52.7 -54.0 -66.9 60.0 45.8 22.7 14 31 A G H 4 S+ 0 0 6 1,-0.2 2,-0.8 2,-0.2 -2,-0.4 -0.574 120.3 26.7 -67.3 134.1 59.6 47.3 26.2 15 32 A G H > S+ 0 0 0 310,-0.3 4,-2.9 -2,-0.2 5,-0.5 -0.561 110.9 62.7 112.3 -73.9 56.0 46.6 26.9 16 33 A L H X S+ 0 0 13 -4,-2.0 4,-2.8 -2,-0.8 5,-0.2 0.984 110.5 47.8 -48.3 -52.6 55.4 43.4 24.8 17 34 A E H X S+ 0 0 30 -4,-1.9 4,-1.5 -5,-0.3 -1,-0.3 0.785 115.0 43.9 -56.1 -37.2 58.0 42.0 27.1 18 35 A S H >> S+ 0 0 0 -5,-0.3 4,-2.8 2,-0.2 3,-0.9 0.989 112.6 48.1 -74.1 -60.0 56.3 43.4 30.2 19 36 A A H 3X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.3 -2,-0.2 0.847 112.0 55.0 -46.8 -37.2 52.7 42.5 29.4 20 37 A W H 3X S+ 0 0 56 -4,-2.8 4,-2.0 -5,-0.5 -1,-0.3 0.901 108.4 44.4 -65.6 -45.3 54.1 39.1 28.6 21 38 A R H < S+ 0 0 8 -4,-2.6 3,-1.9 -5,-0.2 4,-0.5 0.928 109.2 58.0 -62.0 -39.9 50.3 37.4 31.8 24 41 A E H 3< S+ 0 0 125 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.807 105.1 47.6 -58.0 -37.2 52.9 34.8 32.9 25 42 A L T 3< S- 0 0 63 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.384 132.8 -90.7 -88.1 7.8 52.4 35.7 36.6 26 43 A G S < S+ 0 0 58 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.806 71.5 148.1 82.7 97.7 48.6 35.5 36.0 27 44 A A - 0 0 25 -4,-0.5 2,-1.1 2,-0.1 -1,-0.2 -0.910 53.9-118.9-166.6 136.9 47.2 38.9 35.0 28 45 A R + 0 0 95 -2,-0.3 -23,-3.1 78,-0.1 -22,-1.8 -0.671 55.8 170.2 -76.4 98.0 44.4 40.4 32.9 29 46 A A E -d 6 0B 2 -2,-1.1 78,-2.2 76,-0.3 2,-0.3 -0.872 23.9-177.4-119.2 155.9 46.5 42.3 30.5 30 47 A A E -df 7 107B 0 -24,-1.0 -22,-1.7 -2,-0.3 2,-0.4 -0.933 13.6-150.3-142.0 159.9 46.2 44.3 27.3 31 48 A V E -d 8 0B 0 76,-1.9 2,-0.8 -2,-0.3 78,-0.4 -0.996 11.6-147.3-135.4 124.7 48.6 46.0 25.0 32 49 A V E -d 9 0B 3 -24,-2.7 -22,-2.8 -2,-0.4 2,-0.4 -0.862 21.5-177.3 -98.8 104.2 47.5 49.0 23.0 33 50 A E B -i 110 0C 16 76,-1.7 78,-2.9 -2,-0.8 4,-0.1 -0.883 22.5-157.4-105.1 134.5 49.3 49.1 19.6 34 51 A S S S- 0 0 62 -2,-0.4 78,-0.1 76,-0.2 -1,-0.1 0.732 74.3 -38.4 -79.4 -24.2 48.9 51.9 17.1 35 52 A H S S+ 0 0 148 1,-0.2 2,-0.5 76,-0.1 -2,-0.1 -0.149 114.5 31.5-161.8 -98.5 50.1 49.9 14.1 36 53 A K > - 0 0 111 3,-0.0 3,-0.8 2,-0.0 -25,-0.2 -0.720 65.0-142.9 -89.6 123.1 52.8 47.3 13.7 37 54 A L T 3 S+ 0 0 17 -2,-0.5 -25,-0.2 1,-0.2 6,-0.1 -0.453 84.9 58.9 -73.4 157.1 53.6 45.2 16.7 38 55 A G T 3> S- 0 0 3 -27,-2.0 4,-1.7 -2,-0.1 -25,-0.3 0.176 93.3-148.5 102.5 -14.9 57.3 44.3 17.2 39 56 A G H <> - 0 0 21 -3,-0.8 4,-0.8 -28,-0.4 5,-0.3 -0.255 54.8 -26.0 57.5-129.1 57.8 48.0 17.3 40 57 A T H >>S+ 0 0 51 3,-0.2 4,-1.0 2,-0.1 5,-0.7 0.867 130.7 66.2 -84.9 -43.0 61.1 49.4 16.1 41 58 A C H 45S+ 0 0 24 -3,-0.3 6,-2.4 4,-0.2 4,-0.4 0.881 116.0 26.4 -45.7 -51.1 63.2 46.3 16.7 42 59 A V H <5S+ 0 0 4 -4,-1.7 3,-0.3 4,-0.2 -2,-0.1 0.989 129.3 36.4 -76.4 -66.4 61.3 44.3 14.1 43 60 A N H <5S- 0 0 18 -4,-0.8 -3,-0.2 1,-0.2 -2,-0.1 0.857 133.6 -3.1 -60.2 -56.6 59.9 46.9 11.6 44 61 A V T <5S+ 0 0 38 -4,-1.0 -1,-0.2 -5,-0.3 -3,-0.2 -0.090 121.3 38.2-139.3 48.3 62.5 49.6 11.2 45 62 A G S > S+ 0 0 48 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.924 125.3 39.2 -49.4 -63.1 67.5 46.2 14.7 47 64 A V H > S+ 0 0 30 -6,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.882 116.2 45.2 -62.4 -50.3 66.3 43.5 12.3 48 65 A P H > S+ 0 0 1 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.923 116.4 52.8 -62.1 -34.6 66.0 45.3 9.0 49 66 A K H X S+ 0 0 25 -4,-2.1 4,-2.6 1,-0.2 3,-0.5 0.954 104.5 49.8 -61.2 -60.1 69.4 46.8 9.9 50 67 A K H X S+ 0 0 60 -4,-2.7 4,-3.1 1,-0.2 -1,-0.2 0.825 107.1 58.2 -52.6 -31.9 71.3 43.5 10.6 51 68 A V H X S+ 0 0 26 -4,-1.6 4,-1.6 -5,-0.2 -1,-0.2 0.949 110.9 41.1 -63.9 -45.2 70.1 42.1 7.3 52 69 A M H X S+ 0 0 0 -4,-1.4 4,-2.6 -3,-0.5 -2,-0.2 0.840 113.1 53.0 -68.6 -39.8 71.6 45.0 5.4 53 70 A W H X S+ 0 0 16 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.974 109.0 51.2 -59.5 -51.5 74.8 44.9 7.6 54 71 A N H < S+ 0 0 81 -4,-3.1 4,-0.4 1,-0.2 -2,-0.2 0.849 108.3 51.4 -52.2 -39.9 75.0 41.3 6.7 55 72 A T H >X S+ 0 0 24 -4,-1.6 3,-1.3 1,-0.2 4,-0.6 0.934 109.3 51.5 -64.4 -43.6 74.7 42.2 3.0 56 73 A A H >X S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.3 4,-1.6 0.916 99.7 61.7 -61.0 -44.0 77.5 44.7 3.4 57 74 A V H 3X S+ 0 0 33 -4,-2.6 4,-0.8 1,-0.3 -1,-0.3 0.692 98.2 61.8 -58.5 -14.2 79.8 42.2 5.1 58 75 A H H <> S+ 0 0 145 -3,-1.3 4,-2.5 -4,-0.4 -1,-0.3 0.772 99.6 50.5 -83.4 -27.7 79.5 40.3 1.8 59 76 A S H X S+ 0 0 89 -4,-0.8 3,-2.2 -5,-0.2 4,-1.0 0.914 106.3 59.9 -82.0 -40.3 84.5 39.6 1.3 62 79 A M H 3< S+ 0 0 51 -4,-2.5 4,-0.3 1,-0.3 3,-0.3 0.795 102.8 57.4 -54.9 -27.3 83.9 39.7 -2.4 63 80 A H T 3< S+ 0 0 107 -4,-2.0 -1,-0.3 1,-0.2 4,-0.2 0.685 111.1 41.8 -75.9 -20.8 86.8 42.2 -2.4 64 81 A D T <> S+ 0 0 2 -3,-2.2 4,-1.9 -4,-0.3 -2,-0.2 0.413 84.0 99.8-105.1 -1.6 89.1 39.5 -0.8 65 82 A H T <>S+ 0 0 72 -4,-1.0 5,-2.2 -3,-0.3 -2,-0.1 0.871 83.7 49.7 -53.5 -39.4 87.9 36.6 -2.9 66 83 A A T >45S+ 0 0 60 -4,-0.3 3,-1.8 1,-0.2 -1,-0.2 0.896 106.9 54.3 -67.1 -43.1 91.0 36.8 -5.2 67 84 A D T 345S+ 0 0 49 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.852 103.8 56.4 -61.1 -36.6 93.4 36.9 -2.3 68 85 A Y T 3<5S- 0 0 94 -4,-1.9 -1,-0.3 3,-0.1 -2,-0.2 0.282 128.0 -98.3 -81.5 11.7 92.0 33.7 -0.9 69 86 A G T < 5S+ 0 0 67 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.603 88.2 109.0 89.4 9.9 92.7 32.0 -4.2 70 87 A F < - 0 0 110 -5,-2.2 -1,-0.3 1,-0.3 -2,-0.0 -0.643 69.9-108.8-109.2 169.9 89.4 32.1 -6.0 71 88 A P - 0 0 109 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.348 42.6-111.0 -73.1-142.0 88.6 34.3 -9.1 72 89 A S - 0 0 82 1,-0.2 -9,-0.1 -7,-0.1 -10,-0.0 -0.727 7.3-130.3-142.4-169.2 86.3 37.3 -8.7 73 90 A C - 0 0 65 -11,-0.2 -1,-0.2 -2,-0.2 -10,-0.0 0.445 29.9-120.7-114.3-105.0 82.9 38.6 -9.6 74 91 A E - 0 0 167 1,-0.2 2,-0.4 0, 0.0 -2,-0.0 0.243 40.1 -99.4-175.6 -41.1 82.4 42.2 -11.1 75 92 A G + 0 0 31 1,-0.2 -1,-0.2 -13,-0.0 -13,-0.0 -0.955 66.7 124.2 145.8-118.4 80.2 44.4 -9.0 76 93 A K - 0 0 216 -2,-0.4 2,-0.5 1,-0.1 -1,-0.2 0.764 36.7-171.1 14.5 85.3 76.5 45.2 -9.7 77 94 A F - 0 0 70 115,-0.1 2,-1.0 4,-0.0 92,-0.2 -0.817 19.6-135.1 -94.2 128.6 74.7 44.3 -6.5 78 95 A N > - 0 0 96 -2,-0.5 4,-1.2 1,-0.2 3,-0.4 -0.787 21.6-177.7 -92.1 102.1 71.0 44.4 -6.9 79 96 A W H > S+ 0 0 5 -2,-1.0 4,-2.5 1,-0.2 5,-0.2 0.893 77.6 70.3 -59.3 -41.8 69.5 46.2 -3.9 80 97 A R H > S+ 0 0 116 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.878 100.8 46.1 -43.7 -49.0 66.0 45.6 -5.2 81 98 A V H > S+ 0 0 64 -3,-0.4 4,-1.9 2,-0.2 5,-0.3 0.977 111.9 44.8 -62.4 -65.5 66.3 41.9 -4.4 82 99 A I H X S+ 0 0 30 -4,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.818 111.7 58.1 -52.3 -30.6 67.8 41.9 -0.9 83 100 A K H X S+ 0 0 32 -4,-2.5 4,-1.8 2,-0.2 3,-0.5 0.988 105.4 47.8 -61.1 -59.5 65.3 44.6 -0.1 84 101 A E H X S+ 0 0 95 -4,-2.1 4,-1.5 1,-0.3 3,-0.3 0.886 112.4 48.2 -47.0 -54.8 62.3 42.4 -1.0 85 102 A K H X S+ 0 0 128 -4,-1.9 4,-1.1 1,-0.2 -1,-0.3 0.836 106.1 57.0 -60.0 -36.2 63.6 39.4 1.0 86 103 A R H X S+ 0 0 6 -4,-1.9 4,-1.6 -3,-0.5 3,-0.3 0.903 107.3 51.1 -64.3 -35.1 64.3 41.5 4.1 87 104 A D H X S+ 0 0 53 -4,-1.8 4,-2.5 -3,-0.3 -2,-0.2 0.851 103.4 55.2 -69.1 -39.2 60.6 42.5 4.0 88 105 A A H X S+ 0 0 52 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.780 108.5 52.1 -66.0 -23.6 59.2 39.0 3.8 89 106 A Y H X S+ 0 0 87 -4,-1.1 4,-2.8 -3,-0.3 -2,-0.2 0.863 106.5 50.3 -78.4 -41.5 61.2 38.3 6.9 90 107 A V H X S+ 0 0 15 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.929 111.4 51.7 -63.3 -37.6 59.8 41.3 8.7 91 108 A S H X S+ 0 0 72 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.936 108.7 48.2 -63.2 -47.6 56.4 39.8 7.6 92 109 A R H X S+ 0 0 158 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.955 112.8 50.8 -56.9 -45.9 57.2 36.4 9.0 93 110 A L H X S+ 0 0 23 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.828 108.4 50.4 -59.1 -41.1 58.3 38.0 12.2 94 111 A N H X S+ 0 0 36 -4,-2.2 4,-3.2 2,-0.2 -1,-0.2 0.940 110.0 50.0 -64.5 -45.9 55.1 40.1 12.5 95 112 A A H X S+ 0 0 60 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.805 108.6 53.3 -61.8 -35.1 52.9 37.0 12.0 96 113 A I H X S+ 0 0 87 -4,-1.9 4,-3.5 -5,-0.2 -1,-0.2 0.946 112.7 44.6 -65.6 -45.7 55.0 35.2 14.7 97 114 A Y H X S+ 0 0 81 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.910 109.9 54.4 -64.9 -40.5 54.2 38.1 17.0 98 115 A Q H X S+ 0 0 77 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.965 116.7 38.4 -55.3 -54.5 50.6 38.2 16.0 99 116 A N H X S+ 0 0 80 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.915 112.8 55.5 -63.2 -51.0 50.2 34.5 16.9 100 117 A N H X S+ 0 0 59 -4,-3.5 4,-2.2 2,-0.2 -1,-0.2 0.895 111.0 44.9 -50.3 -49.0 52.5 34.6 20.0 101 118 A L H <>S+ 0 0 1 -4,-2.6 5,-0.8 1,-0.2 4,-0.4 0.981 112.7 49.1 -62.3 -56.4 50.5 37.3 21.6 102 119 A T H <5S+ 0 0 75 -4,-2.1 3,-0.3 -5,-0.3 -1,-0.2 0.753 113.4 49.8 -56.7 -23.9 47.1 35.8 20.8 103 120 A K H <5S+ 0 0 151 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.868 103.8 54.6 -84.1 -36.7 48.4 32.5 22.2 104 121 A S T <5S- 0 0 24 -4,-2.2 -1,-0.2 -3,-0.3 -2,-0.2 0.453 118.7-117.3 -74.6 4.4 49.8 33.8 25.5 105 122 A H T 5 + 0 0 142 -4,-0.4 2,-0.4 -3,-0.3 -76,-0.3 0.981 58.0 154.2 54.5 70.8 46.2 35.2 25.8 106 123 A I < - 0 0 12 -5,-0.8 2,-1.1 -78,-0.1 -76,-0.2 -0.992 48.4-119.5-127.8 128.0 46.7 39.0 25.9 107 124 A E B -f 30 0B 90 -78,-2.2 -76,-1.9 -2,-0.4 2,-1.9 -0.518 25.3-161.7 -68.5 98.3 44.1 41.5 24.8 108 125 A I - 0 0 15 -2,-1.1 2,-0.3 -78,-0.2 -76,-0.2 -0.555 7.2-168.3 -83.0 77.5 45.8 43.3 22.0 109 126 A I - 0 0 19 -2,-1.9 -76,-1.7 -78,-0.4 2,-0.4 -0.538 13.5-150.2 -65.3 128.2 43.6 46.4 21.8 110 127 A R B +i 33 0C 168 -2,-0.3 2,-0.3 -78,-0.2 -76,-0.2 -0.883 46.6 56.6-110.2 132.7 44.6 48.1 18.6 111 128 A G S S- 0 0 16 -78,-2.9 2,-0.6 -2,-0.4 -76,-0.1 -0.890 89.5 -42.6 145.7-170.2 44.5 51.8 17.9 112 129 A H - 0 0 79 -2,-0.3 14,-1.1 -78,-0.1 2,-0.2 -0.826 53.7-154.8 -98.2 122.3 45.9 55.1 19.3 113 130 A A E +B 125 0A 5 -2,-0.6 2,-0.3 12,-0.2 12,-0.2 -0.473 18.0 165.5 -91.4 162.6 45.9 55.5 23.1 114 131 A A E -B 124 0A 10 10,-1.4 10,-2.8 -2,-0.2 2,-0.3 -0.955 35.8-101.4-168.7 157.7 45.8 58.6 25.2 115 132 A F E -B 123 0A 4 166,-2.5 8,-0.2 -2,-0.3 170,-0.2 -0.705 33.3-160.5 -90.9 144.7 45.2 59.8 28.7 116 133 A T - 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0 0 53 -3,-0.5 29,-2.3 -4,-0.4 2,-0.3 0.934 31.3-158.6 57.2 52.3 92.4 45.8 39.1 412 429 A K E < -VU 439 407H 59 -5,-2.3 -5,-1.7 27,-0.2 2,-0.7 -0.444 18.1-125.2 -64.3 119.8 88.7 45.5 38.8 413 430 A V E + U 0 406H 2 25,-1.8 -7,-0.2 -2,-0.3 25,-0.1 -0.598 45.4 159.8 -69.3 109.5 87.7 45.3 35.1 414 431 A V E + 0 0 14 -9,-2.8 -49,-2.1 -2,-0.7 2,-0.2 0.332 60.9 26.7-115.4 3.7 85.2 48.2 35.0 415 432 A G E -SU 364 405H 0 -10,-0.9 -10,-3.1 -51,-0.3 2,-0.4 -0.826 55.7-172.7-169.9 124.2 85.2 48.9 31.3 416 433 A I E +SU 363 404H 0 -53,-3.1 -53,-2.5 -2,-0.2 2,-0.4 -0.989 11.4 178.9-122.2 125.6 86.0 46.9 28.1 417 434 A H E +SU 362 403H 2 -14,-2.5 -14,-2.7 -2,-0.4 2,-0.3 -0.980 9.7 156.0-129.9 137.1 86.2 48.7 24.7 418 435 A M E -SU 361 402H 0 -57,-2.4 -57,-3.3 -2,-0.4 2,-0.4 -0.999 24.4-167.4-158.8 155.8 87.0 47.1 21.3 419 436 A Q E +SU 360 401H 0 -18,-1.5 -18,-2.0 -2,-0.3 2,-0.3 -0.985 44.1 88.0-144.0 133.0 86.7 47.3 17.5 420 437 A G S > S- 0 0 0 -61,-2.2 3,-1.7 -2,-0.4 -20,-0.2 -0.919 73.8 -35.1 160.7 176.0 87.5 44.5 15.2 421 438 A L T 3 S+ 0 0 47 -22,-0.5 32,-0.1 -2,-0.3 -2,-0.0 -0.304 123.0 7.8 -62.5 138.1 86.4 41.4 13.3 422 439 A G T >> S+ 0 0 41 1,-0.1 4,-1.1 31,-0.1 3,-0.9 0.486 85.0 132.4 69.7 1.5 84.0 39.2 15.2 423 440 A C H <> + 0 0 0 -3,-1.7 4,-0.7 1,-0.2 -1,-0.1 0.530 61.9 68.1 -61.5 -4.4 83.6 41.8 17.9 424 441 A D H 34 S+ 0 0 32 2,-0.2 -1,-0.2 1,-0.1 -3,-0.1 0.883 112.6 25.4 -81.8 -43.0 79.8 41.4 17.6 425 442 A E H <4 S+ 0 0 150 -3,-0.9 4,-0.2 1,-0.1 -2,-0.2 0.420 112.1 74.7 -99.9 -2.3 79.7 37.9 19.0 426 443 A M H < S+ 0 0 25 -4,-1.1 4,-0.5 2,-0.1 3,-0.4 0.857 87.1 66.5 -75.6 -40.7 82.9 38.4 21.0 427 444 A L S < S+ 0 0 7 -4,-0.7 -74,-0.0 1,-0.2 -65,-0.0 -0.661 77.8 61.7 -86.2 142.2 81.3 40.6 23.6 428 445 A Q S > S+ 0 0 120 -2,-0.3 4,-2.1 -65,-0.0 5,-0.2 -0.456 92.5 64.5 140.3 -52.0 78.7 39.2 25.9 429 446 A G H > S+ 0 0 52 -3,-0.4 4,-2.0 1,-0.2 3,-0.3 0.968 108.9 42.1 -59.3 -48.6 80.7 36.6 27.7 430 447 A F H > S+ 0 0 33 -4,-0.5 4,-3.5 1,-0.2 -1,-0.2 0.694 107.8 62.3 -68.5 -24.0 82.9 39.4 29.2 431 448 A A H > S+ 0 0 4 2,-0.2 4,-3.3 3,-0.2 -1,-0.2 0.897 105.0 46.2 -68.9 -40.0 79.7 41.4 29.8 432 449 A V H X S+ 0 0 87 -4,-2.1 4,-1.3 -3,-0.3 -2,-0.2 0.965 117.1 45.0 -65.0 -47.6 78.5 38.6 32.2 433 450 A A H ><>S+ 0 0 28 -4,-2.0 5,-1.4 2,-0.2 3,-0.6 0.938 114.8 46.6 -59.0 -50.6 82.0 38.6 33.7 434 451 A V H ><5S+ 0 0 4 -4,-3.5 3,-1.4 1,-0.3 4,-0.2 0.966 108.9 56.2 -61.5 -41.7 82.2 42.3 33.9 435 452 A K H 3<5S+ 0 0 106 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.757 104.6 54.9 -62.0 -25.3 78.6 42.3 35.4 436 453 A M T <<5S- 0 0 144 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 -0.198 123.7-102.0-102.9 45.5 79.9 40.1 38.1 437 454 A G T < 5 - 0 0 36 -3,-1.4 -3,-0.2 1,-0.1 -2,-0.2 0.782 51.9-169.1 41.1 48.5 82.7 42.4 39.2 438 455 A A < - 0 0 4 -5,-1.4 -25,-1.8 -4,-0.2 2,-0.3 -0.251 9.0-143.0 -65.2 144.1 85.5 40.5 37.4 439 456 A T B > -V 412 0H 24 -27,-0.3 4,-1.5 1,-0.1 3,-0.3 -0.695 30.2-103.8-103.1 164.3 89.1 41.4 38.2 440 457 A K H > S+ 0 0 14 -29,-2.3 4,-2.5 -30,-0.5 5,-0.1 0.855 121.0 60.8 -55.0 -28.9 91.9 41.5 35.8 441 458 A A H > S+ 0 0 47 -31,-0.5 4,-2.1 1,-0.2 5,-0.2 0.951 98.1 52.5 -64.9 -49.5 93.0 38.2 37.4 442 459 A D H 4 S+ 0 0 82 -3,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.866 111.7 49.0 -53.2 -39.4 89.9 36.3 36.6 443 460 A F H >< S+ 0 0 6 -4,-1.5 3,-1.4 1,-0.2 -1,-0.2 0.966 112.7 47.3 -62.2 -50.5 90.5 37.4 33.0 444 461 A D H 3< S+ 0 0 73 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.629 105.5 59.2 -66.9 -19.6 94.1 36.3 33.2 445 462 A N T 3< S+ 0 0 127 -4,-2.1 2,-0.6 -5,-0.1 -1,-0.3 0.474 83.1 101.5 -89.1 -2.7 93.2 32.9 34.8 446 463 A T S < S- 0 0 85 -3,-1.4 2,-0.1 -4,-0.3 12,-0.0 -0.731 78.1-121.8 -88.9 123.3 91.1 31.9 31.8 447 464 A V - 0 0 134 -2,-0.6 -2,-0.1 1,-0.1 -1,-0.1 -0.393 34.9-114.1 -64.8 133.8 92.8 29.5 29.4 448 465 A A - 0 0 46 -2,-0.1 2,-0.5 1,-0.1 -1,-0.1 -0.175 7.5-132.6 -70.6 160.0 92.9 30.9 25.9 449 466 A I - 0 0 109 0, 0.0 3,-0.5 0, 0.0 6,-0.3 -0.960 38.5-126.3-109.1 118.6 91.3 29.8 22.6 450 467 A H S S+ 0 0 142 -2,-0.5 3,-0.0 1,-0.3 -2,-0.0 -0.976 85.0 22.2-124.8 130.9 94.0 29.7 19.9 451 468 A P S S+ 0 0 80 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.241 98.0 111.2 -94.8 127.8 93.8 31.1 17.2 452 469 A T - 0 0 46 -3,-0.5 4,-0.2 1,-0.1 -63,-0.1 -0.865 64.4-130.2-143.5 174.5 91.3 33.8 18.1 453 470 A S S > S+ 0 0 28 -2,-0.3 3,-2.2 2,-0.1 4,-0.5 0.810 108.1 63.2 -91.7 -40.0 91.0 37.5 18.6 454 471 A S T >> S+ 0 0 37 1,-0.3 3,-1.7 2,-0.2 4,-0.6 0.819 89.4 67.4 -51.8 -34.5 89.2 37.0 21.8 455 472 A E H >> S+ 0 0 27 -6,-0.3 3,-1.2 1,-0.3 4,-0.6 0.851 92.2 63.8 -58.4 -29.1 92.3 35.3 23.2 456 473 A E H <4 S+ 0 0 53 -3,-2.2 3,-0.3 1,-0.3 -1,-0.3 0.761 94.2 59.0 -65.9 -27.6 93.9 38.8 23.0 457 474 A L H <4 S+ 0 0 0 -3,-1.7 -1,-0.3 -4,-0.5 3,-0.2 0.670 109.0 43.6 -76.9 -18.2 91.5 40.2 25.5 458 475 A V H << S+ 0 0 18 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.492 109.0 55.7-105.5 -2.9 92.6 37.8 28.2 459 476 A T S < S+ 0 0 73 -4,-0.6 2,-0.2 -3,-0.3 -1,-0.1 0.045 74.7 152.3-113.2 21.9 96.4 38.0 27.6 460 477 A L 0 0 3 -3,-0.2 -76,-0.1 1,-0.2 -3,-0.1 -0.364 360.0 360.0 -60.2 125.0 96.6 41.8 28.0 461 478 A R 0 0 267 -78,-0.2 -1,-0.2 -2,-0.2 -77,-0.1 0.584 360.0 360.0-126.0 360.0 100.0 43.0 29.3