==== 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 3GRT . 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 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21995.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 72.2 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 . 62 13.4 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 . 47 10.2 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 1 1 1 1 0 1 1 0 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 . 4 0 2 1 1 1 2 1 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 0 102 0, 0.0 2,-0.4 0, 0.0 129,-0.3 0.000 360.0 360.0 360.0 126.3 34.9 51.1 30.8 2 19 A A E -a 130 0A 46 127,-1.7 129,-2.1 130,-0.0 2,-0.5 -0.734 360.0-147.0 -86.4 132.8 36.5 47.6 30.6 3 20 A S E +a 131 0A 94 -2,-0.4 2,-0.2 127,-0.2 129,-0.2 -0.882 22.7 167.5-106.2 133.4 38.9 46.8 33.5 4 21 A Y - 0 0 22 127,-1.6 25,-0.2 -2,-0.5 3,-0.1 -0.591 42.7-116.6-121.8-172.4 42.0 44.7 33.1 5 22 A D S S+ 0 0 73 23,-2.9 2,-0.3 1,-0.4 24,-0.2 0.652 101.5 21.7 -98.3 -28.7 44.9 44.1 35.5 6 23 A Y E -d 29 0B 0 22,-1.7 24,-0.5 125,-0.1 2,-0.4 -0.988 60.6-172.2-143.8 137.8 47.4 45.6 33.2 7 24 A L E -de 30 135B 0 127,-1.9 129,-2.3 -2,-0.3 2,-0.6 -0.956 13.7-166.3-133.9 102.7 46.9 48.0 30.3 8 25 A V E -de 31 136B 0 22,-1.3 24,-2.6 -2,-0.4 2,-0.9 -0.872 9.8-150.0 -97.4 118.2 50.1 48.5 28.3 9 26 A I E S+de 32 137B 8 127,-3.3 129,-2.5 -2,-0.6 24,-0.1 -0.782 70.5 30.8 -89.5 106.7 50.2 51.4 25.8 10 27 A G - 0 0 8 22,-2.0 2,-0.5 -2,-0.9 23,-0.2 0.303 64.2-138.7 115.5 114.2 52.5 50.4 22.9 11 28 A G + 0 0 0 21,-0.2 27,-2.8 4,-0.2 28,-0.5 -0.328 66.1 104.2 -98.1 51.9 53.3 47.0 21.4 12 29 A G S > S- 0 0 11 -2,-0.5 4,-1.8 126,-0.5 5,-0.4 -0.128 90.3 -52.5-106.0-148.9 57.0 47.4 20.9 13 30 A S H > S+ 0 0 30 25,-0.3 4,-1.5 1,-0.2 5,-0.2 0.930 134.7 28.8 -56.2 -59.0 60.0 46.0 22.8 14 31 A G H > S+ 0 0 6 2,-0.2 4,-1.9 3,-0.1 5,-0.2 0.895 118.5 57.7 -73.0 -40.7 59.2 47.0 26.3 15 32 A G H > S+ 0 0 1 123,-0.4 4,-2.0 2,-0.2 3,-0.4 0.977 110.0 40.4 -52.3 -66.6 55.4 47.0 25.9 16 33 A L H X S+ 0 0 3 -4,-1.8 4,-3.0 1,-0.2 5,-0.3 0.910 113.4 52.9 -50.8 -53.8 55.0 43.4 24.8 17 34 A E H X S+ 0 0 24 -4,-1.5 4,-2.4 -5,-0.4 -1,-0.2 0.863 110.1 48.8 -53.4 -39.7 57.6 41.9 27.3 18 35 A S H X S+ 0 0 0 -4,-1.9 4,-1.6 -3,-0.4 -1,-0.2 0.909 114.3 45.6 -68.7 -38.7 55.9 43.6 30.2 19 36 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.881 112.8 50.2 -71.8 -38.7 52.5 42.3 29.0 20 37 A W H X S+ 0 0 44 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.947 112.2 47.3 -62.2 -49.8 53.8 38.8 28.4 21 38 A R H < S+ 0 0 72 -4,-2.4 4,-0.3 -5,-0.3 -1,-0.2 0.832 112.9 50.2 -58.9 -40.7 55.4 38.6 31.8 22 39 A A H ><>S+ 0 0 0 -4,-1.6 5,-1.8 2,-0.2 3,-1.3 0.941 109.5 47.8 -65.8 -49.7 52.3 39.9 33.4 23 40 A A H ><5S+ 0 0 21 -4,-2.5 3,-1.3 1,-0.3 -2,-0.2 0.837 109.0 56.0 -61.8 -32.2 49.9 37.4 31.7 24 41 A E T 3<5S+ 0 0 115 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.616 104.0 54.5 -75.0 -13.9 52.3 34.5 32.6 25 42 A L T < 5S- 0 0 54 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.258 131.0 -93.5-102.1 7.7 52.0 35.6 36.2 26 43 A G T < 5S+ 0 0 65 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.174 82.9 129.6 104.5 -18.8 48.2 35.3 36.1 27 44 A A < - 0 0 16 -5,-1.8 2,-0.6 -6,-0.1 -1,-0.3 -0.074 56.7-124.3 -68.1 169.2 47.2 38.9 35.2 28 45 A R + 0 0 109 78,-0.0 -23,-2.9 2,-0.0 -22,-1.7 -0.973 40.1 170.0-117.3 111.4 44.9 40.0 32.4 29 46 A A E -d 6 0B 0 -2,-0.6 78,-1.6 76,-0.3 2,-0.3 -0.723 23.8-158.4-120.3 170.0 46.5 42.4 30.1 30 47 A A E -df 7 107B 0 -24,-0.5 -22,-1.3 -2,-0.2 2,-0.4 -0.903 14.3-142.8-151.9 115.3 45.9 44.1 26.8 31 48 A V E -df 8 108B 0 76,-1.8 78,-1.9 -2,-0.3 2,-0.8 -0.671 14.0-148.2 -80.7 126.2 48.5 45.6 24.5 32 49 A V E -df 9 109B 3 -24,-2.6 -22,-2.0 -2,-0.4 2,-0.6 -0.883 21.6-176.7 -95.7 109.8 47.2 48.8 22.8 33 50 A E E - f 0 110B 20 76,-1.5 78,-0.6 -2,-0.8 4,-0.1 -0.946 20.5-173.0-117.5 124.0 48.9 48.9 19.5 34 51 A S S S- 0 0 50 -2,-0.6 78,-0.1 76,-0.2 -1,-0.1 0.597 76.7 -4.4 -83.4 -18.4 48.4 51.8 17.1 35 52 A H S S- 0 0 157 76,-0.1 2,-0.4 1,-0.1 -2,-0.1 -0.076 116.4 -11.3-139.9-117.5 50.3 50.4 14.1 36 53 A K > - 0 0 124 -2,-0.1 3,-1.0 3,-0.1 7,-0.1 -0.827 65.8-118.4-103.7 137.2 52.3 47.2 13.6 37 54 A L T 3 S+ 0 0 11 -2,-0.4 -25,-0.2 1,-0.2 60,-0.1 -0.360 93.7 55.6 -67.4 149.5 53.3 45.0 16.5 38 55 A G T 3> S- 0 0 2 -27,-2.8 4,-1.4 4,-0.1 3,-0.3 0.102 93.5-139.9 110.0 -19.2 57.0 44.6 17.2 39 56 A G H <> - 0 0 17 -3,-1.0 4,-1.5 -28,-0.5 5,-0.3 -0.249 51.9 -30.1 68.3-150.9 57.6 48.3 17.4 40 57 A T H > S+ 0 0 51 3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.876 132.6 59.0 -71.2 -41.1 60.5 50.2 16.0 41 58 A a H > S+ 0 0 19 -3,-0.3 6,-1.5 4,-0.2 4,-1.1 0.938 113.7 33.9 -55.8 -53.8 63.0 47.3 16.4 42 59 A V H < S+ 0 0 5 -4,-1.4 -1,-0.2 4,-0.2 -2,-0.2 0.920 128.5 35.5 -70.8 -44.4 61.1 44.7 14.2 43 60 A N H < S- 0 0 22 -4,-1.5 -3,-0.2 -7,-0.1 -2,-0.2 0.900 141.6 -4.0 -81.6 -39.7 59.7 47.2 11.7 44 61 A V H < S+ 0 0 30 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 -0.024 123.2 45.0-147.8 36.0 62.4 49.8 11.3 45 62 A G S X S+ 0 0 19 -4,-1.1 4,-2.1 -5,-0.1 5,-0.3 -0.036 107.0 6.0-139.5-115.8 65.2 49.1 13.7 46 63 A a H > S+ 0 0 49 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 125.5 46.9 -47.7 -58.2 67.2 46.1 14.8 47 64 A V H > S+ 0 0 27 -6,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.922 116.3 38.3 -56.5 -60.0 65.8 43.6 12.3 48 65 A P H > S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.923 116.6 54.0 -60.6 -42.4 65.9 45.5 9.0 49 66 A K H X S+ 0 0 26 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.964 107.5 48.8 -55.1 -57.7 69.3 47.1 9.9 50 67 A K H X S+ 0 0 61 -4,-2.5 4,-3.2 -5,-0.3 5,-0.2 0.884 109.6 52.5 -53.0 -41.5 71.0 43.7 10.6 51 68 A V H X S+ 0 0 26 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.940 113.8 43.2 -60.1 -45.7 69.7 42.2 7.3 52 69 A M H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.828 113.9 52.0 -67.3 -34.2 71.1 45.2 5.4 53 70 A W H X S+ 0 0 18 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.944 105.8 52.8 -69.7 -43.4 74.3 45.0 7.5 54 71 A N H X S+ 0 0 85 -4,-3.2 4,-0.7 1,-0.2 -1,-0.2 0.836 111.1 49.9 -56.2 -36.3 74.7 41.3 6.7 55 72 A T H >X S+ 0 0 20 -4,-1.2 4,-1.1 -5,-0.2 3,-0.6 0.902 108.0 50.9 -69.7 -44.1 74.4 42.3 3.1 56 73 A A H >X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.3 3,-0.6 0.909 107.1 54.4 -61.9 -39.2 77.0 45.0 3.5 57 74 A V H 3X S+ 0 0 25 -4,-2.7 4,-2.0 1,-0.2 -1,-0.3 0.755 104.9 58.1 -64.5 -23.8 79.4 42.5 5.1 58 75 A H H < S+ 0 0 29 -4,-1.9 3,-1.9 1,-0.2 4,-0.4 0.960 107.8 43.1 -51.6 -63.1 83.0 43.5 1.8 61 78 A F H >< S+ 0 0 80 -4,-2.0 3,-1.1 1,-0.3 -1,-0.2 0.731 100.3 71.7 -60.0 -23.2 84.2 39.9 1.8 62 79 A M H >< S+ 0 0 55 -4,-0.8 3,-1.2 1,-0.3 4,-0.4 0.851 92.3 60.2 -60.1 -30.9 83.6 39.8 -2.0 63 80 A H T << S+ 0 0 118 -3,-1.9 4,-0.3 -4,-0.9 -1,-0.3 0.718 102.5 49.7 -68.4 -26.5 86.7 42.0 -2.2 64 81 A D T <> S+ 0 0 1 -3,-1.1 4,-0.8 -4,-0.4 -1,-0.3 0.241 84.9 98.6 -97.0 11.6 88.9 39.4 -0.5 65 82 A H T X4>S+ 0 0 61 -3,-1.2 5,-2.0 2,-0.2 3,-1.3 0.971 83.3 42.2 -64.0 -56.2 87.7 36.7 -2.8 66 83 A A G >45S+ 0 0 44 -4,-0.4 3,-2.0 1,-0.3 -1,-0.2 0.913 109.5 60.0 -58.0 -42.6 90.6 36.7 -5.2 67 84 A D G 345S+ 0 0 43 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.684 103.0 54.1 -58.0 -22.2 93.1 37.0 -2.3 68 85 A Y G <<5S- 0 0 94 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 -0.036 130.9 -91.7-101.7 24.3 91.7 33.7 -1.1 69 86 A G T < 5S+ 0 0 74 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.2 0.565 90.1 115.6 81.5 8.6 92.3 31.9 -4.3 70 87 A F S - 0 0 80 -2,-0.3 4,-1.0 1,-0.2 3,-0.3 -0.856 10.9-167.2-104.5 110.3 70.6 44.5 -6.9 79 96 A W H >> S+ 0 0 0 -2,-0.8 4,-1.8 1,-0.2 3,-0.7 0.945 80.1 54.7 -57.9 -57.0 69.0 46.5 -4.2 80 97 A R H 3> S+ 0 0 115 87,-0.3 4,-3.1 1,-0.2 5,-0.2 0.754 99.2 61.8 -51.2 -34.0 65.3 45.4 -4.6 81 98 A V H 3> S+ 0 0 73 -3,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.932 112.7 35.8 -59.1 -51.7 66.0 41.7 -4.3 82 99 A I H <>S+ 0 0 0 -4,-2.4 5,-1.9 2,-0.2 3,-1.3 0.983 115.0 38.7 -56.5 -64.6 50.2 37.5 22.1 102 119 A T H ><5S+ 0 0 77 -4,-2.1 3,-2.5 1,-0.3 -2,-0.2 0.893 111.9 59.7 -55.4 -37.8 46.9 35.7 21.5 103 120 A K H 3<5S+ 0 0 140 -4,-3.8 -1,-0.3 1,-0.3 -2,-0.2 0.849 107.6 46.6 -58.5 -34.1 48.6 32.5 22.4 104 121 A S T <<5S- 0 0 45 -4,-1.8 -1,-0.3 -3,-1.3 -2,-0.2 0.185 122.7-107.6 -94.3 14.7 49.3 34.1 25.8 105 122 A H T < 5 + 0 0 153 -3,-2.5 2,-0.7 1,-0.2 -76,-0.3 0.796 64.7 156.8 65.3 34.0 45.7 35.4 26.2 106 123 A I < - 0 0 4 -5,-1.9 -1,-0.2 -6,-0.2 -76,-0.2 -0.815 37.4-140.0-100.6 115.2 46.7 39.0 25.5 107 124 A E E -f 30 0B 78 -78,-1.6 -76,-1.8 -2,-0.7 2,-0.6 -0.521 12.6-148.7 -66.4 136.6 44.0 41.2 24.3 108 125 A I E -f 31 0B 19 -78,-0.2 2,-1.1 -2,-0.2 -76,-0.2 -0.911 2.7-157.7-113.6 101.9 45.2 43.6 21.6 109 126 A I E -f 32 0B 12 -78,-1.9 -76,-1.5 -2,-0.6 2,-1.3 -0.720 18.7-147.8 -81.5 105.7 43.3 46.9 21.6 110 127 A R E +f 33 0B 156 -2,-1.1 2,-0.3 -78,-0.2 -76,-0.2 -0.583 55.2 45.5 -81.8 89.1 44.0 47.9 18.0 111 128 A G S S- 0 0 12 -2,-1.3 2,-0.7 -78,-0.6 -76,-0.1 -0.979 89.9 -42.6 173.2-162.9 44.2 51.8 17.8 112 129 A H - 0 0 94 -2,-0.3 14,-0.5 -78,-0.1 2,-0.1 -0.828 46.8-152.0-106.1 113.1 45.5 55.0 19.3 113 130 A A + 0 0 5 -2,-0.7 2,-0.3 12,-0.1 12,-0.2 -0.356 19.2 167.2 -80.3 150.3 45.5 55.5 23.1 114 131 A A - 0 0 21 10,-0.3 10,-2.8 -2,-0.1 168,-0.2 -0.938 37.9-107.5-159.9 136.8 45.2 58.9 25.0 115 132 A F B -B 123 0A 4 166,-3.1 8,-0.3 -2,-0.3 2,-0.2 -0.449 34.4-136.9 -70.2 144.8 44.4 59.5 28.6 116 133 A T - 0 0 10 6,-2.6 6,-0.3 -2,-0.1 -1,-0.1 -0.475 23.4-107.6 -97.7 174.7 41.0 60.9 29.6 117 134 A S S S+ 0 0 93 -2,-0.2 -1,-0.1 4,-0.1 -2,-0.0 0.703 77.1 128.1 -70.2 -25.9 39.9 63.5 32.0 118 135 A D - 0 0 31 1,-0.1 4,-0.2 4,-0.0 -2,-0.1 0.063 67.1-125.5 -34.2 139.4 38.6 60.8 34.3 119 136 A P S S+ 0 0 124 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.977 97.9 54.9 -55.9 -64.7 39.8 61.0 37.9 120 137 A K S S- 0 0 87 1,-0.1 0, 0.0 11,-0.0 0, 0.0 -0.453 116.7 -84.5 -68.3 144.9 41.2 57.4 38.1 121 138 A P + 0 0 30 0, 0.0 11,-0.5 0, 0.0 2,-0.3 -0.295 66.2 160.0 -55.1 132.3 43.7 56.9 35.3 122 139 A T E - C 0 131A 0 -6,-0.3 -6,-2.6 -4,-0.2 2,-0.4 -0.990 25.8-150.6-153.1 152.3 41.8 55.9 32.1 123 140 A I E -BC 115 130A 1 7,-2.4 7,-2.4 -2,-0.3 2,-0.6 -0.957 9.2-141.7-129.5 149.6 42.5 55.8 28.4 124 141 A E E - C 0 129A 76 -10,-2.8 2,-0.6 -2,-0.4 -10,-0.3 -0.930 14.8-174.9-113.9 114.9 40.2 56.1 25.4 125 142 A V E > S- C 0 128A 3 3,-3.0 3,-1.6 -2,-0.6 -12,-0.1 -0.958 75.5 -23.7-110.2 114.6 40.9 54.0 22.4 126 143 A S T 3 S- 0 0 94 -2,-0.6 -1,-0.2 -14,-0.5 3,-0.1 0.945 127.9 -44.5 47.1 65.8 38.6 54.8 19.4 127 144 A G T 3 S+ 0 0 61 -3,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.403 120.9 107.8 65.6 -3.3 35.7 56.2 21.4 128 145 A K E < - C 0 125A 133 -3,-1.6 -3,-3.0 -127,-0.0 2,-0.4 -0.865 61.1-138.6-110.6 141.1 36.0 53.4 23.9 129 146 A K E + C 0 124A 71 -2,-0.4 -127,-1.7 -5,-0.3 2,-0.3 -0.794 21.7 172.0-104.1 140.9 37.3 53.6 27.5 130 147 A Y E +aC 2 123A 34 -7,-2.4 -7,-2.4 -2,-0.4 2,-0.3 -0.937 4.6 171.7-137.0 155.5 39.6 51.1 29.2 131 148 A T E -aC 3 122A 16 -129,-2.1 -127,-1.6 -2,-0.3 -9,-0.1 -0.892 6.3-179.3-154.7 177.1 41.3 51.3 32.6 132 149 A A - 0 0 10 -11,-0.5 -127,-0.2 -2,-0.3 3,-0.1 -0.886 46.1-105.8-179.2 150.3 43.3 49.2 35.0 133 150 A P S S+ 0 0 79 0, 0.0 2,-0.3 0, 0.0 -128,-0.1 0.514 114.3 39.2 -65.5 1.1 45.0 49.4 38.4 134 151 A H + 0 0 41 -130,-0.1 -127,-1.9 -13,-0.1 2,-0.4 -0.818 65.0 176.7-154.3 112.3 48.3 49.4 36.3 135 152 A I E -eg 7 309B 0 173,-3.0 175,-1.5 -2,-0.3 2,-0.6 -0.948 12.6-159.0-116.8 132.8 48.9 51.2 33.0 136 153 A L E -eg 8 310B 0 -129,-2.3 -127,-3.3 -2,-0.4 2,-0.7 -0.950 6.1-152.3-115.8 118.0 52.3 51.1 31.3 137 154 A I E +eg 9 311B 0 173,-2.5 175,-1.6 -2,-0.6 -127,-0.1 -0.787 31.5 153.8 -86.4 119.3 53.2 53.8 28.8 138 155 A A + 0 0 10 -129,-2.5 -126,-0.5 -2,-0.7 -123,-0.4 -0.349 16.2 138.1-141.9 52.8 55.8 52.2 26.4 139 156 A T - 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0 0 22 -4,-1.2 -3,-0.2 -3,-0.3 -2,-0.1 0.608 54.5-175.7 110.6 18.2 82.2 41.8 39.1 438 455 A A < - 0 0 8 -5,-2.1 -25,-2.1 -6,-0.1 2,-0.3 0.044 9.0-155.4 -49.4 145.9 85.2 40.3 37.4 439 456 A T B > -U 412 0G 28 -27,-0.3 4,-1.3 -33,-0.1 3,-0.3 -0.698 35.7 -98.7-115.1 170.2 88.7 41.6 38.0 440 457 A K H > S+ 0 0 9 -29,-1.6 4,-2.6 -30,-0.4 3,-0.2 0.873 121.8 61.6 -61.3 -36.1 91.7 41.4 35.7 441 458 A A H > S+ 0 0 49 -31,-0.5 4,-0.9 1,-0.2 -1,-0.2 0.921 101.5 51.7 -56.8 -43.9 92.9 38.4 37.6 442 459 A D H 4 S+ 0 0 84 -3,-0.3 3,-0.3 1,-0.2 -1,-0.2 0.856 110.3 49.0 -60.5 -39.2 89.8 36.4 36.7 443 460 A F H >< S+ 0 0 7 -4,-1.3 3,-1.1 -3,-0.2 -1,-0.2 0.923 111.7 48.4 -68.0 -42.3 90.3 37.3 33.0 444 461 A D H 3< S+ 0 0 66 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.576 104.4 61.5 -75.1 -10.0 93.9 36.2 33.1 445 462 A N T 3< S+ 0 0 142 -4,-0.9 2,-0.5 -3,-0.3 -1,-0.3 0.066 84.0 95.5-104.6 26.9 92.9 32.9 34.9 446 463 A T S < S- 0 0 82 -3,-1.1 2,-0.1 12,-0.3 -3,-0.0 -0.971 80.9-121.0-118.3 121.1 90.8 31.8 32.0 447 464 A V - 0 0 136 -2,-0.5 2,-0.1 1,-0.1 -2,-0.1 -0.415 37.6-119.9 -61.7 136.3 92.5 29.5 29.4 448 465 A A - 0 0 37 -2,-0.1 2,-0.6 -4,-0.1 -1,-0.1 -0.347 5.5-125.9 -82.9 163.1 92.4 31.1 26.0 449 466 A I - 0 0 117 -2,-0.1 6,-0.3 3,-0.0 3,-0.3 -0.943 38.5-131.3-110.6 108.7 90.8 30.0 22.7 450 467 A H S S+ 0 0 149 -2,-0.6 3,-0.0 1,-0.3 -2,-0.0 -0.954 81.5 25.4-113.7 132.8 93.4 30.0 20.0 451 468 A P S S+ 0 0 83 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.310 96.1 104.1 -99.4 131.1 93.2 31.1 17.4 452 469 A T - 0 0 51 -3,-0.3 4,-0.3 1,-0.1 3,-0.2 -0.973 66.9-124.5-153.6 163.4 90.6 33.9 17.9 453 470 A S S > S+ 0 0 25 -2,-0.3 3,-1.0 1,-0.2 4,-0.2 0.800 110.1 62.6 -79.3 -29.8 90.3 37.7 18.3 454 471 A S G >> S+ 0 0 40 1,-0.2 3,-1.3 2,-0.2 4,-0.6 0.716 87.4 70.5 -67.6 -21.7 88.6 37.1 21.7 455 472 A E G >4 S+ 0 0 24 -6,-0.3 3,-1.0 1,-0.2 4,-0.4 0.839 85.5 69.5 -67.1 -26.2 91.6 35.4 23.1 456 473 A E G <4 S+ 0 0 54 -3,-1.0 -1,-0.2 -4,-0.3 3,-0.2 0.657 91.5 60.1 -65.0 -18.9 93.4 38.8 23.1 457 474 A L G X4 S+ 0 0 1 -3,-1.3 3,-0.6 -4,-0.2 -1,-0.3 0.816 104.8 46.3 -79.6 -32.7 91.1 40.0 25.9 458 475 A V T << S+ 0 0 13 -3,-1.0 -12,-0.3 -4,-0.6 -1,-0.2 0.372 114.3 49.3 -90.6 4.6 92.1 37.4 28.4 459 476 A T T 3 S+ 0 0 74 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.007 75.3 141.9-127.9 26.7 95.9 37.9 27.7 460 477 A L < 0 0 6 -3,-0.6 -76,-0.1 1,-0.1 -3,-0.1 -0.377 360.0 360.0 -67.9 152.8 96.2 41.7 27.9 461 478 A R 0 0 269 -78,-0.3 -1,-0.1 -2,-0.0 -77,-0.1 0.363 360.0 360.0-160.8 360.0 99.4 43.0 29.6