==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-JUN-08 3DK4 . COMPND 2 MOLECULE: GLUTATHIONE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.S.BERKHOLZ,R.H.FABER,S.N.SAVVIDES,A.P.KARPLUS . 462 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22576.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 317 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 8.4 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 . 34 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.9 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 0 4 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 3 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 17 A A 0 0 144 0, 0.0 129,-0.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 159.0 -13.2 27.3 20.0 2 18 A V E -a 130 0A 67 127,-0.1 2,-0.4 129,-0.0 129,-0.2 -0.969 360.0-142.9-131.4 122.4 -9.6 28.4 20.8 3 19 A A E -a 131 0A 41 127,-1.9 129,-2.7 -2,-0.5 2,-0.4 -0.767 20.5-146.4 -83.5 134.5 -7.9 28.1 24.2 4 20 A S E +a 132 0A 89 -2,-0.4 2,-0.3 127,-0.2 129,-0.2 -0.830 20.0 173.1-108.7 140.9 -5.6 31.0 25.0 5 21 A Y - 0 0 36 127,-2.0 130,-0.2 -2,-0.4 25,-0.2 -0.819 39.9-124.0-128.6 163.2 -2.3 30.9 27.0 6 22 A D S S+ 0 0 35 23,-2.1 2,-0.3 1,-0.3 129,-0.3 0.775 101.7 18.8 -71.9 -34.1 0.4 33.4 27.8 7 23 A Y E -d 30 0B 0 22,-1.7 24,-1.9 127,-0.1 2,-0.5 -0.971 62.7-169.6-147.5 122.8 3.0 31.0 26.3 8 24 A L E -de 31 136B 0 127,-2.2 129,-2.6 -2,-0.3 2,-0.5 -0.986 10.9-164.7-114.1 125.1 2.7 28.1 23.9 9 25 A V E -de 32 137B 0 22,-2.8 24,-3.0 -2,-0.5 2,-0.8 -0.948 9.0-152.1-115.6 121.2 5.8 25.9 23.4 10 26 A I E S+de 33 138B 7 127,-3.2 129,-2.8 -2,-0.5 24,-0.1 -0.853 71.0 28.4 -94.8 104.4 6.0 23.5 20.5 11 27 A G - 0 0 10 22,-2.6 23,-0.2 -2,-0.8 22,-0.1 0.282 63.5-138.3 113.2 127.5 8.3 20.6 21.6 12 28 A G + 0 0 0 4,-0.2 27,-2.9 20,-0.1 28,-0.4 -0.259 66.0 107.5-108.1 46.6 9.1 19.2 25.0 13 29 A G S > S- 0 0 11 126,-0.5 4,-2.8 26,-0.2 5,-0.4 -0.138 89.7 -56.6-102.9-158.4 12.8 18.7 24.6 14 30 A S H > S+ 0 0 27 25,-0.4 4,-1.9 1,-0.2 5,-0.2 0.908 133.6 35.5 -51.9 -54.3 15.8 20.6 26.1 15 31 A G H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.918 118.6 48.1 -72.0 -40.4 14.9 24.0 25.0 16 32 A G H > S+ 0 0 0 123,-0.3 4,-2.5 2,-0.2 5,-0.2 0.928 113.8 47.3 -66.7 -46.3 11.1 23.9 25.2 17 33 A L H X S+ 0 0 14 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.953 114.5 46.2 -59.5 -46.8 11.1 22.4 28.7 18 34 A A H X S+ 0 0 10 -4,-1.9 4,-2.1 -5,-0.4 5,-0.2 0.913 114.8 46.5 -64.8 -42.5 13.6 24.9 30.0 19 35 A S H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.943 113.9 47.4 -66.7 -45.2 11.9 27.9 28.4 20 36 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.915 112.0 50.4 -63.2 -42.8 8.4 26.9 29.6 21 37 A R H X S+ 0 0 83 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.917 112.6 45.9 -65.2 -39.9 9.6 26.2 33.2 22 38 A R H X S+ 0 0 58 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.930 112.2 51.0 -70.0 -41.3 11.3 29.6 33.4 23 39 A A H <>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 3,-0.4 0.919 109.0 51.6 -58.3 -43.8 8.2 31.4 32.0 24 40 A A H ><5S+ 0 0 20 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.901 103.6 57.6 -63.3 -35.3 6.0 29.6 34.5 25 41 A E H 3<5S+ 0 0 144 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.856 105.5 51.7 -60.2 -33.2 8.3 30.8 37.3 26 42 A L T 3<5S- 0 0 56 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.398 130.9 -95.9 -84.2 1.9 7.6 34.4 36.1 27 43 A G T < 5S+ 0 0 59 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.339 71.2 151.9 103.2 -4.8 3.8 33.8 36.2 28 44 A A < - 0 0 11 -5,-2.3 2,-0.8 -6,-0.2 -1,-0.3 -0.389 48.6-129.8 -61.9 140.6 3.1 32.8 32.6 29 45 A R - 0 0 178 -2,-0.1 -23,-2.1 78,-0.1 -22,-1.7 -0.813 47.8-179.9 -81.4 100.7 0.2 30.5 31.9 30 46 A A E -d 7 0B 5 -2,-0.8 78,-2.0 76,-0.3 2,-0.3 -0.777 26.8-168.9-120.2 154.8 2.1 28.0 29.7 31 47 A A E -df 8 108B 0 -24,-1.9 -22,-2.8 -2,-0.3 2,-0.5 -0.995 10.3-151.0-137.6 144.0 1.5 24.9 27.7 32 48 A V E -df 9 109B 0 76,-2.7 78,-2.9 -2,-0.3 2,-0.5 -0.980 8.2-152.7-114.0 126.2 4.0 22.4 26.1 33 49 A V E +df 10 110B 3 -24,-3.0 -22,-2.6 -2,-0.5 2,-0.4 -0.869 19.5 173.7 -96.7 129.9 3.0 20.4 23.0 34 50 A E E - f 0 111B 19 76,-2.4 78,-1.7 -2,-0.5 4,-0.1 -0.973 21.2-172.6-141.1 124.3 4.9 17.1 22.6 35 51 A S S S+ 0 0 58 -2,-0.4 78,-0.2 76,-0.2 -1,-0.1 0.678 80.1 7.5 -88.7 -15.7 4.2 14.4 20.0 36 52 A H S S- 0 0 149 76,-0.1 2,-0.5 1,-0.1 -2,-0.1 0.130 115.3 -14.3-131.9-118.9 6.5 11.7 21.4 37 53 A K > - 0 0 126 -2,-0.0 3,-1.7 1,-0.0 7,-0.2 -0.822 61.4-115.8-108.6 130.2 8.5 11.5 24.6 38 54 A L T 3 S+ 0 0 5 -2,-0.5 -25,-0.2 1,-0.2 60,-0.1 -0.282 100.2 47.6 -56.0 143.2 9.3 14.4 27.0 39 55 A G T 3> S- 0 0 2 -27,-2.9 4,-1.8 59,-0.1 -25,-0.4 0.151 92.8-148.6 102.4 -15.1 13.0 15.1 27.2 40 56 A G H <> - 0 0 17 -3,-1.7 4,-2.2 -28,-0.4 5,-0.4 -0.048 55.7 -20.2 61.4-149.7 13.4 15.2 23.5 41 57 A T H >>S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 5,-0.6 0.924 133.8 55.2 -65.2 -47.7 16.6 14.1 21.8 42 58 A a H >5S+ 0 0 14 -3,-0.3 6,-2.3 4,-0.2 4,-0.6 0.931 116.1 34.3 -56.3 -48.7 18.9 14.5 24.7 43 59 A V H <5S+ 0 0 9 -4,-1.8 -1,-0.2 4,-0.1 -2,-0.2 0.893 130.0 31.2 -70.9 -41.0 17.0 12.3 27.1 44 60 A N H <5S+ 0 0 27 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.865 139.0 0.1 -94.4 -40.0 15.7 9.7 24.7 45 61 A V H <5S+ 0 0 41 -4,-2.1 -3,-0.2 -5,-0.4 -2,-0.1 0.032 122.4 41.4-143.8 31.6 18.3 9.3 21.8 46 62 A G S X S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.813 123.4 46.9 -40.2 -55.4 23.3 13.0 25.4 48 64 A V H > S+ 0 0 29 -6,-2.3 4,-2.1 2,-0.2 5,-0.2 0.984 117.6 35.9 -68.9 -57.2 22.0 10.8 28.2 49 65 A P H > S+ 0 0 1 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.882 117.2 56.3 -67.2 -28.8 22.0 7.3 26.6 50 66 A K H X S+ 0 0 19 -4,-2.6 4,-2.5 -8,-0.2 -2,-0.2 0.942 107.5 48.1 -58.3 -49.5 25.2 8.2 24.7 51 67 A K H X S+ 0 0 59 -4,-2.2 4,-2.8 -5,-0.3 5,-0.2 0.885 108.5 53.5 -64.4 -37.8 26.9 9.0 28.0 52 68 A V H X S+ 0 0 32 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.939 111.5 46.3 -59.2 -44.9 25.7 5.7 29.6 53 69 A M H X S+ 0 0 1 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.882 110.2 53.5 -68.4 -32.6 27.3 3.9 26.6 54 70 A W H X S+ 0 0 15 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.934 107.1 50.8 -63.9 -43.8 30.5 6.0 26.9 55 71 A N H X S+ 0 0 82 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.887 109.9 51.7 -59.7 -36.7 30.8 5.0 30.5 56 72 A T H X S+ 0 0 19 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.935 113.1 43.7 -63.0 -48.5 30.4 1.4 29.4 57 73 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.891 112.0 52.8 -59.2 -46.7 33.1 1.8 26.8 58 74 A V H X S+ 0 0 28 -4,-3.1 4,-2.5 2,-0.2 5,-0.2 0.909 108.3 51.4 -58.4 -44.4 35.4 3.7 29.2 59 75 A H H X S+ 0 0 116 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.925 110.6 48.5 -57.3 -49.4 35.1 0.9 31.8 60 76 A S H X S+ 0 0 38 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.959 110.2 50.8 -57.6 -51.9 36.0 -1.7 29.2 61 77 A E H >< S+ 0 0 27 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.932 111.9 47.5 -53.0 -45.5 39.1 0.3 28.0 62 78 A F H >< S+ 0 0 70 -4,-2.5 3,-2.0 1,-0.3 -1,-0.2 0.833 101.9 61.8 -68.3 -32.0 40.4 0.7 31.6 63 79 A M H >< S+ 0 0 65 -4,-1.9 3,-1.8 1,-0.3 4,-0.3 0.722 87.8 73.6 -72.7 -14.0 39.9 -3.0 32.4 64 80 A H T << S+ 0 0 126 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.633 98.7 50.3 -59.7 -19.1 42.4 -3.6 29.6 65 81 A D T <> S+ 0 0 1 -3,-2.0 4,-1.5 -4,-0.2 -1,-0.3 0.299 78.8 102.7-100.5 1.9 44.7 -2.3 32.3 66 82 A H T <4>S+ 0 0 43 -3,-1.8 5,-2.3 1,-0.2 3,-0.3 0.907 82.3 47.2 -64.1 -42.7 43.6 -4.5 35.2 67 83 A A T >45S+ 0 0 53 -4,-0.3 3,-1.8 1,-0.2 -1,-0.2 0.900 108.5 55.9 -64.3 -38.8 46.6 -6.9 35.1 68 84 A D T 345S+ 0 0 42 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.839 105.7 52.6 -62.1 -31.1 49.0 -3.9 34.9 69 85 A Y T 3<5S- 0 0 97 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.307 130.1 -92.7 -89.0 11.1 47.6 -2.6 38.1 70 86 A G T < 5S+ 0 0 69 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.516 88.4 115.2 99.3 5.5 48.1 -5.9 39.9 71 87 A F S > - 0 0 88 -2,-0.2 4,-1.1 1,-0.1 3,-1.1 -0.892 7.8-169.6-120.3 95.3 26.8 -8.5 27.2 80 96 A W H 3> S+ 0 0 5 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.835 83.1 61.4 -49.0 -43.8 25.1 -5.6 25.3 81 97 A R H 3> S+ 0 0 103 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.880 96.5 60.0 -58.9 -33.1 21.6 -6.6 26.5 82 98 A V H <> S+ 0 0 61 -3,-1.1 4,-1.5 1,-0.2 -1,-0.2 0.961 113.7 34.7 -59.3 -53.6 22.5 -6.1 30.2 83 99 A I H X S+ 0 0 38 -4,-1.1 4,-2.8 1,-0.2 5,-0.2 0.890 112.6 60.5 -75.6 -33.0 23.4 -2.4 29.7 84 100 A K H X S+ 0 0 15 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.927 106.8 47.1 -55.6 -47.9 20.7 -1.8 27.1 85 101 A E H X S+ 0 0 118 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.912 114.5 46.4 -61.3 -44.7 18.0 -2.8 29.5 86 102 A K H X S+ 0 0 135 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.889 112.1 50.8 -65.4 -38.5 19.5 -0.6 32.3 87 103 A R H X S+ 0 0 3 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.934 109.8 49.9 -63.2 -46.6 19.9 2.3 29.9 88 104 A D H X S+ 0 0 64 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.902 109.1 52.4 -60.5 -38.6 16.3 2.1 28.8 89 105 A A H X S+ 0 0 42 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.916 108.1 51.1 -65.4 -41.9 15.1 2.0 32.4 90 106 A Y H X S+ 0 0 89 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.940 108.8 51.0 -60.9 -43.9 17.1 5.2 33.1 91 107 A V H X S+ 0 0 13 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.922 109.7 50.8 -57.7 -44.4 15.5 6.9 30.1 92 108 A S H X S+ 0 0 73 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.911 107.7 52.7 -60.9 -40.5 12.1 5.9 31.4 93 109 A R H X S+ 0 0 143 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.913 110.7 48.1 -58.7 -43.0 12.9 7.3 34.9 94 110 A L H X S+ 0 0 21 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.899 106.3 56.0 -68.8 -38.4 13.9 10.6 33.2 95 111 A N H X S+ 0 0 29 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.934 109.9 46.8 -55.7 -43.7 10.7 10.7 31.1 96 112 A A H X S+ 0 0 56 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.902 110.6 52.3 -67.3 -38.1 8.7 10.4 34.3 97 113 A I H X S+ 0 0 81 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.938 110.2 47.4 -63.0 -46.0 10.7 13.2 36.1 98 114 A Y H X S+ 0 0 82 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.898 109.3 53.4 -71.8 -32.8 10.2 15.7 33.2 99 115 A Q H X S+ 0 0 86 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.955 112.0 46.5 -58.1 -46.9 6.5 15.0 33.1 100 116 A N H X S+ 0 0 81 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.885 105.6 59.2 -63.4 -37.2 6.4 15.8 36.8 101 117 A N H X S+ 0 0 27 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.905 110.4 42.5 -59.9 -40.5 8.5 18.9 36.4 102 118 A L H <>S+ 0 0 1 -4,-1.8 5,-2.6 2,-0.2 3,-0.3 0.941 115.3 48.6 -68.8 -47.4 5.9 20.3 34.1 103 119 A T H ><5S+ 0 0 80 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.910 109.6 52.1 -59.7 -44.3 2.9 19.2 36.2 104 120 A K H 3<5S+ 0 0 114 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.783 110.6 49.7 -62.7 -28.4 4.5 20.6 39.5 105 121 A S T 3<5S- 0 0 28 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.393 116.0-117.1 -90.1 1.9 4.9 23.9 37.6 106 122 A H T < 5 + 0 0 169 -3,-1.6 2,-0.5 1,-0.2 -76,-0.3 0.849 61.5 153.0 63.3 36.9 1.3 23.9 36.4 107 123 A I < - 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0 0 8 6,-2.5 6,-0.3 2,-0.1 -1,-0.0 -0.616 24.9-108.7-101.6 172.2 -3.2 27.4 11.1 118 134 A S S S+ 0 0 88 -2,-0.2 6,-0.1 4,-0.1 -2,-0.0 0.248 73.4 129.7 -85.0 10.5 -3.9 30.1 8.6 119 135 A D - 0 0 55 4,-0.2 4,-0.3 1,-0.2 -2,-0.1 -0.426 64.3-132.6 -62.6 131.3 -5.5 32.3 11.3 120 136 A P S S+ 0 0 127 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.928 99.0 68.3 -56.0 -39.2 -4.0 35.7 11.0 121 137 A K S S- 0 0 134 1,-0.1 -2,-0.1 -3,-0.0 0, 0.0 -0.746 113.5 -99.7 -75.4 118.3 -3.5 35.6 14.8 122 138 A P + 0 0 25 0, 0.0 11,-0.8 0, 0.0 2,-0.3 -0.178 59.9 161.2 -52.2 125.6 -0.9 32.9 15.3 123 139 A T E - C 0 132A 6 -6,-0.3 -6,-2.5 -4,-0.3 2,-0.3 -0.976 24.9-152.6-146.0 141.9 -2.7 29.7 16.3 124 140 A I E -BC 116 131A 0 7,-2.6 7,-2.4 -2,-0.3 2,-0.4 -0.849 7.3-145.1-116.2 159.1 -1.8 26.1 16.3 125 141 A E E -BC 115 130A 83 -10,-2.6 -10,-1.6 -2,-0.3 2,-0.4 -0.986 14.6-179.1-121.7 137.7 -3.9 22.9 16.0 126 142 A V E > S-BC 114 129A 3 3,-2.5 3,-1.8 -2,-0.4 -12,-0.2 -0.979 75.6 -17.9-135.4 118.5 -3.2 19.6 17.8 127 143 A S T 3 S- 0 0 105 -14,-0.5 3,-0.1 -2,-0.4 -13,-0.1 0.864 129.4 -51.7 50.1 44.0 -5.5 16.6 17.2 128 144 A G T 3 S+ 0 0 54 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.522 115.8 110.2 71.5 12.0 -8.2 18.9 15.9 129 145 A K E < - 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0 0 54 -3,-1.9 29,-2.1 28,-0.2 -3,-0.2 0.942 28.8-162.1 54.3 51.6 47.8 37.6 26.0 413 429 A K E < -UT 440 408G 75 -5,-2.3 -5,-2.4 27,-0.2 2,-1.0 -0.451 23.2-118.9 -56.4 131.2 44.0 37.4 26.5 414 430 A V E + T 0 407G 1 25,-3.0 -7,-0.2 -7,-0.2 24,-0.2 -0.678 45.6 163.2 -82.0 104.9 43.1 33.7 26.5 415 431 A V E + 0 0 11 -9,-2.3 -49,-2.7 -2,-1.0 2,-0.3 0.537 61.8 21.1-103.1 -10.2 40.8 33.4 23.5 416 432 A G E -RT 365 406G 0 -10,-1.4 -10,-2.9 -51,-0.3 2,-0.4 -0.954 51.9-171.6-155.5 145.5 40.8 29.7 23.0 417 433 A I E +RT 364 405G 0 -53,-2.4 -53,-2.3 -2,-0.3 2,-0.4 -0.996 14.8 176.4-133.3 131.2 41.6 26.5 25.0 418 434 A H E +RT 363 404G 0 -14,-2.3 -14,-2.5 -2,-0.4 2,-0.3 -1.000 9.0 154.1-137.6 131.3 41.7 23.1 23.3 419 435 A M E -RT 362 403G 0 -57,-2.5 -57,-2.5 -2,-0.4 2,-0.3 -0.998 26.5-164.0-157.7 157.6 42.6 19.7 24.7 420 436 A Q E +RT 361 402G 1 -18,-2.2 -18,-2.3 -2,-0.3 2,-0.2 -0.976 44.8 91.5-140.8 135.6 42.3 16.0 24.6 421 437 A G S > S- 0 0 0 -61,-2.5 3,-2.3 -2,-0.3 4,-0.3 -0.862 76.5 -45.5 159.7 163.9 43.1 13.6 27.5 422 438 A L T 3 S+ 0 0 40 1,-0.3 32,-0.1 -2,-0.2 -2,-0.1 -0.334 124.1 15.0 -53.2 131.0 42.0 11.8 30.5 423 439 A G T >> S+ 0 0 37 31,-0.1 4,-1.5 30,-0.0 3,-1.0 0.242 87.5 117.8 86.6 -10.6 39.9 14.1 32.7 424 440 A C H <> + 0 0 0 -3,-2.3 4,-1.1 -64,-0.3 -2,-0.1 0.771 66.8 65.0 -65.2 -24.9 39.3 16.7 30.0 425 441 A D H 34 S+ 0 0 34 -4,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.877 114.3 30.0 -59.1 -42.1 35.6 16.1 30.1 426 442 A E H <4 S+ 0 0 151 -3,-1.0 4,-0.3 1,-0.1 -2,-0.2 0.593 114.3 64.6 -92.9 -14.8 35.3 17.4 33.7 427 443 A M H X S+ 0 0 24 -4,-1.5 4,-0.8 1,-0.2 3,-0.3 0.741 89.1 65.9 -79.0 -29.4 38.3 19.9 33.5 428 444 A L H X S+ 0 0 4 -4,-1.1 4,-2.4 1,-0.2 3,-0.4 0.860 80.9 71.7 -71.7 -38.0 36.9 22.3 30.9 429 445 A Q H > S+ 0 0 129 -4,-0.3 4,-1.6 1,-0.3 -1,-0.2 0.865 100.9 44.7 -52.1 -47.7 33.9 24.0 32.7 430 446 A G H > S+ 0 0 50 -4,-0.3 4,-1.9 -3,-0.3 -1,-0.3 0.880 112.0 51.6 -65.9 -38.3 35.9 26.1 35.1 431 447 A F H X S+ 0 0 36 -4,-0.8 4,-2.6 -3,-0.4 -1,-0.2 0.881 105.9 56.8 -64.5 -34.4 38.3 27.2 32.4 432 448 A A H X S+ 0 0 3 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.879 104.1 52.7 -63.6 -37.4 35.3 28.2 30.3 433 449 A V H X S+ 0 0 83 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.946 110.5 47.7 -61.8 -47.0 34.2 30.5 33.2 434 450 A A H <>S+ 0 0 26 -4,-1.9 5,-2.3 2,-0.2 4,-0.3 0.919 112.2 48.8 -60.7 -43.5 37.7 32.1 33.2 435 451 A V H ><5S+ 0 0 5 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.928 108.5 53.0 -62.6 -45.1 37.6 32.6 29.4 436 452 A K H 3<5S+ 0 0 98 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.852 107.2 54.5 -59.6 -31.5 34.1 34.1 29.5 437 453 A M T 3<5S- 0 0 154 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.454 122.8-105.6 -75.5 -6.2 35.5 36.6 32.1 438 454 A G T < 5 - 0 0 25 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.777 49.9-171.7 85.4 29.1 38.3 37.7 29.8 439 455 A A < - 0 0 6 -5,-2.3 -25,-3.0 -6,-0.1 2,-0.2 -0.172 8.2-149.8 -54.5 142.7 41.2 35.9 31.5 440 456 A T B > -U 413 0G 19 -27,-0.3 4,-1.5 1,-0.1 3,-0.4 -0.621 32.0-103.0-103.4 166.0 44.7 36.6 30.4 441 457 A K H > S+ 0 0 10 -29,-2.1 4,-3.1 -30,-0.5 5,-0.2 0.903 123.7 60.2 -57.0 -36.8 47.6 34.2 30.5 442 458 A A H > S+ 0 0 57 -31,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.875 100.6 55.1 -57.9 -38.6 48.8 36.0 33.6 443 459 A D H 4 S+ 0 0 80 -3,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.915 111.5 43.0 -60.8 -39.8 45.5 35.1 35.3 444 460 A F H >< S+ 0 0 9 -4,-1.5 3,-1.8 1,-0.2 -2,-0.2 0.955 114.0 52.2 -67.7 -47.5 46.2 31.4 34.6 445 461 A D H 3< S+ 0 0 89 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.891 105.0 56.0 -48.8 -48.2 49.8 31.8 35.7 446 462 A N T 3< S+ 0 0 139 -4,-2.6 2,-0.5 -5,-0.2 -1,-0.3 0.422 87.9 92.1 -74.2 -3.3 48.9 33.4 38.9 447 463 A T S < S- 0 0 80 -3,-1.8 2,-0.1 -4,-0.2 -4,-0.0 -0.859 82.8-120.4 -98.9 122.6 46.7 30.5 40.0 448 464 A V - 0 0 132 -2,-0.5 -2,-0.1 1,-0.1 12,-0.1 -0.366 32.3-113.9 -64.5 139.2 48.5 27.9 42.0 449 465 A A - 0 0 37 -4,-0.1 2,-0.5 10,-0.1 -1,-0.1 -0.280 13.7-131.5 -67.9 160.0 48.6 24.4 40.5 450 466 A I - 0 0 113 3,-0.0 6,-0.5 -2,-0.0 3,-0.4 -0.971 38.5-121.2-111.5 121.7 46.9 21.3 41.9 451 467 A H S S+ 0 0 140 -2,-0.5 3,-0.1 1,-0.3 0, 0.0 -0.935 80.2 17.1-125.1 145.4 49.3 18.3 41.9 452 468 A P S S+ 0 0 78 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.420 97.9 107.3 -86.1 124.3 49.3 15.6 40.7 453 469 A T - 0 0 54 -3,-0.4 4,-0.2 1,-0.1 -30,-0.0 -0.961 69.9-124.7-143.6 165.3 46.6 16.2 38.1 454 470 A S S > S+ 0 0 22 -2,-0.3 3,-2.0 1,-0.1 4,-0.3 0.866 106.8 67.9 -72.2 -35.1 46.4 16.7 34.3 455 471 A S G > S+ 0 0 31 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.784 85.5 67.5 -59.8 -31.0 44.6 20.1 34.9 456 472 A E G > S+ 0 0 25 -6,-0.5 3,-1.2 1,-0.3 4,-0.3 0.758 85.0 72.4 -61.7 -23.8 47.7 21.7 36.4 457 473 A E G X S+ 0 0 59 -3,-2.0 3,-0.8 1,-0.3 -1,-0.3 0.820 90.3 59.2 -64.0 -25.2 49.4 21.6 33.0 458 474 A L G < S+ 0 0 1 -3,-1.6 -1,-0.3 -4,-0.3 3,-0.2 0.700 107.9 44.4 -75.9 -19.5 47.1 24.4 31.8 459 475 A V G < S+ 0 0 18 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.301 112.4 52.9-104.9 8.9 48.3 26.8 34.5 460 476 A T S < S+ 0 0 71 -3,-0.8 -2,-0.2 -4,-0.3 2,-0.1 0.081 72.8 135.0-130.5 22.6 52.0 26.0 34.0 461 477 A L 0 0 11 -3,-0.2 -76,-0.1 1,-0.1 -3,-0.0 -0.456 360.0 360.0 -71.0 143.1 52.5 26.5 30.3 462 478 A R 0 0 269 -78,-0.2 -1,-0.1 -2,-0.1 -79,-0.0 0.493 360.0 360.0-138.4 360.0 55.6 28.4 29.2