==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-OCT-04 1WB7 . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [FE]; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR M.A.GOGLIETTINO,F.TANFANI,A.SCIRE,T.URSBY,B.S.ADINOLFI, . 410 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18940.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 30 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 42.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 0 0 0 2 4 0 2 0 2 0 0 0 0 0 0 0 2 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 0 0 0 2 0 2 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 . 0 0 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 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 4 A I 0 0 149 0, 0.0 2,-0.3 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 144.3 -25.1 28.7 48.4 2 5 A Q - 0 0 141 51,-0.0 2,-0.3 52,-0.0 45,-0.1 -0.972 360.0 -92.4-175.3-180.0 -22.3 30.2 46.3 3 6 A F - 0 0 87 -2,-0.3 2,-0.2 43,-0.1 47,-0.0 -0.830 42.2-107.2-110.6 149.8 -20.4 30.2 43.0 4 7 A K - 0 0 176 -2,-0.3 2,-0.1 1,-0.1 42,-0.0 -0.541 38.9-124.1 -76.0 142.2 -17.2 28.2 42.4 5 8 A K - 0 0 65 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.474 19.8-111.7 -87.0 159.5 -14.1 30.4 42.2 6 9 A Y - 0 0 66 33,-0.3 2,-0.4 -2,-0.1 -1,-0.1 -0.536 25.2-146.0 -87.7 157.3 -11.7 30.5 39.3 7 10 A E - 0 0 148 -2,-0.2 29,-0.0 36,-0.0 33,-0.0 -0.982 17.9-118.3-130.1 135.8 -8.1 29.3 39.5 8 11 A L - 0 0 45 -2,-0.4 3,-0.1 28,-0.1 28,-0.1 -0.534 35.5-133.6 -67.9 118.9 -5.0 30.6 37.8 9 12 A P - 0 0 37 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.430 26.5-101.5 -73.9 152.0 -3.7 27.8 35.6 10 13 A P - 0 0 104 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.430 42.1 -99.1 -71.3 151.0 -0.0 27.0 35.8 11 14 A L - 0 0 31 1,-0.1 4,-0.1 -2,-0.1 71,-0.0 -0.443 25.8-134.4 -66.7 141.1 2.1 28.4 32.9 12 15 A P S S+ 0 0 54 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.541 82.7 9.7 -76.0 -5.8 2.8 25.7 30.3 13 16 A Y S S- 0 0 21 76,-0.1 -2,-0.1 1,-0.0 5,-0.0 -0.924 97.5 -65.6-158.1 177.4 6.5 26.6 30.2 14 17 A K > - 0 0 125 -2,-0.3 3,-1.3 1,-0.1 4,-0.3 -0.322 51.8-109.9 -69.1 159.2 9.2 28.7 31.8 15 18 A I T 3 S+ 0 0 57 1,-0.3 12,-0.3 2,-0.1 3,-0.3 0.671 119.2 47.1 -67.2 -15.9 8.8 32.5 31.6 16 19 A D T > S+ 0 0 79 1,-0.2 3,-1.8 2,-0.1 -1,-0.3 0.415 81.0 100.4-103.8 0.4 11.7 32.8 29.2 17 20 A A T < S+ 0 0 17 -3,-1.3 74,-0.5 1,-0.3 -1,-0.2 0.732 79.7 54.6 -58.3 -23.8 10.6 29.9 26.9 18 21 A L T >> S+ 0 0 0 -3,-0.3 3,-1.2 -4,-0.3 4,-1.2 0.465 89.3 155.4 -93.4 -0.9 9.2 32.3 24.4 19 22 A E T <4 + 0 0 72 -3,-1.8 72,-0.3 1,-0.3 4,-0.1 -0.350 52.8 24.0 -66.6 152.8 12.3 34.4 23.9 20 23 A P T 34 S+ 0 0 88 0, 0.0 -1,-0.3 0, 0.0 3,-0.3 -0.972 125.8 51.0 -88.7 9.4 13.4 36.1 21.7 21 24 A Y T <4 S+ 0 0 57 -3,-1.2 2,-0.4 1,-0.3 -2,-0.2 0.875 127.9 14.6 -72.1 -37.7 9.9 36.6 20.4 22 25 A I S < S- 0 0 0 -4,-1.2 -1,-0.3 -6,-0.1 -4,-0.2 -0.934 90.6-124.3-140.4 112.7 8.4 37.7 23.8 23 26 A S > - 0 0 15 -2,-0.4 4,-2.1 -3,-0.3 3,-0.4 -0.088 16.3-121.0 -55.8 152.6 10.8 38.6 26.6 24 27 A K H > S+ 0 0 89 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.800 112.5 63.4 -65.4 -27.6 10.7 36.8 29.9 25 28 A D H > S+ 0 0 94 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.902 105.9 43.9 -63.0 -41.5 10.1 40.2 31.5 26 29 A I H > S+ 0 0 0 -3,-0.4 4,-3.0 2,-0.2 5,-0.2 0.975 115.1 47.7 -66.2 -54.0 6.8 40.6 29.7 27 30 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 -12,-0.3 5,-0.4 0.889 108.0 57.4 -53.7 -44.5 5.8 37.0 30.3 28 31 A D H X S+ 0 0 70 -4,-2.9 4,-2.2 1,-0.2 5,-0.3 0.942 117.6 29.7 -53.5 -56.4 6.6 37.3 34.0 29 32 A V H X>S+ 0 0 22 -4,-1.6 5,-2.3 3,-0.2 4,-1.5 0.815 115.9 61.6 -76.7 -29.3 4.3 40.3 34.7 30 33 A H H <>S+ 0 0 0 -4,-3.0 5,-2.3 -5,-0.2 -2,-0.2 0.903 119.0 26.8 -62.7 -40.1 1.9 39.3 32.1 31 34 A Y H <>S+ 0 0 26 -4,-2.6 5,-1.7 -5,-0.2 -2,-0.2 0.939 130.6 36.5 -86.7 -58.3 1.2 36.0 33.9 32 35 A N H <5S+ 0 0 63 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.2 0.713 132.6 27.4 -70.7 -21.3 1.9 36.8 37.5 33 36 A G T X5S+ 0 0 19 -4,-1.5 4,-1.6 -5,-0.3 -3,-0.2 0.840 129.4 27.2-103.1 -67.9 0.6 40.3 37.3 34 37 A H H >>S+ 0 0 90 -4,-1.5 6,-1.8 2,-0.2 5,-1.3 0.849 108.6 50.9 -64.5 -34.2 -24.0 38.5 48.7 52 55 A V H <5S+ 0 0 23 -4,-1.6 -2,-0.2 4,-0.2 -1,-0.2 0.941 113.3 45.6 -66.6 -46.0 -26.5 40.1 46.3 53 56 A V H <5S+ 0 0 88 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.917 115.3 45.4 -61.8 -46.7 -28.1 36.7 45.7 54 57 A K H <5S- 0 0 103 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.707 112.7-120.3 -71.2 -20.5 -28.1 35.8 49.4 55 58 A G T <5S+ 0 0 35 -4,-1.3 -3,-0.2 -5,-0.2 -4,-0.1 0.531 79.4 124.0 92.7 5.1 -29.5 39.2 50.2 56 59 A D S - 0 0 113 -2,-0.6 3,-2.1 1,-0.2 4,-0.1 -0.354 35.5 -56.1 -91.4 174.0 -29.7 44.7 49.9 59 62 A T T 3 S+ 0 0 133 1,-0.3 -1,-0.2 2,-0.1 4,-0.1 -0.162 127.0 24.4 -46.0 130.1 -31.3 47.1 47.5 60 63 A G T 3 S+ 0 0 73 2,-0.4 -1,-0.3 -3,-0.1 3,-0.1 0.448 101.3 89.5 90.7 0.7 -29.2 50.3 47.3 61 64 A Q S < S+ 0 0 88 -3,-2.1 2,-0.3 1,-0.1 -2,-0.1 0.142 92.5 24.9-114.8 18.5 -26.0 48.6 48.4 62 65 A Y - 0 0 65 -4,-0.1 2,-0.6 -5,-0.0 -2,-0.4 -0.958 63.6-133.5-172.1 157.3 -24.8 47.6 44.9 63 66 A D >> - 0 0 134 -2,-0.3 3,-1.6 1,-0.1 4,-1.3 -0.917 19.6-156.7-124.5 99.8 -25.1 48.5 41.3 64 67 A I H 3> S+ 0 0 72 -2,-0.6 4,-3.1 1,-0.3 5,-0.3 0.788 88.7 58.1 -47.6 -40.6 -25.7 45.3 39.4 65 68 A Q H 3> S+ 0 0 132 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.839 104.7 53.5 -63.6 -29.5 -24.4 46.5 36.0 66 69 A G H <> S+ 0 0 51 -3,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.894 113.6 41.8 -70.4 -38.6 -21.1 47.3 37.7 67 70 A I H X S+ 0 0 5 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.955 118.0 45.0 -71.5 -50.9 -20.9 43.7 39.0 68 71 A I H X S+ 0 0 76 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.901 117.5 43.3 -60.9 -45.1 -22.1 42.0 35.8 69 72 A R H X S+ 0 0 80 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.851 112.1 53.9 -72.3 -32.3 -19.9 44.0 33.5 70 73 A G H X S+ 0 0 14 -4,-1.4 4,-2.5 -5,-0.3 5,-0.2 0.843 108.0 52.8 -68.2 -31.2 -16.9 43.7 35.8 71 74 A L H X S+ 0 0 13 -4,-1.8 4,-3.0 2,-0.2 5,-0.4 0.924 107.2 48.2 -71.1 -42.9 -17.5 39.9 35.7 72 75 A T H X S+ 0 0 51 -4,-1.9 4,-1.6 2,-0.2 5,-0.2 0.891 113.9 50.1 -65.8 -33.1 -17.5 39.8 31.9 73 76 A F H X S+ 0 0 24 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.970 119.1 34.2 -65.6 -55.9 -14.3 41.8 31.9 74 77 A N H X S+ 0 0 22 -4,-2.5 4,-2.4 2,-0.2 -32,-0.2 0.870 117.0 52.5 -69.8 -40.3 -12.4 39.7 34.5 75 78 A I H X S+ 0 0 33 -4,-3.0 4,-3.1 -5,-0.2 5,-0.2 0.942 115.4 41.3 -63.7 -45.7 -13.8 36.3 33.5 76 79 A N H X S+ 0 0 26 -4,-1.6 4,-3.0 -5,-0.4 5,-0.4 0.877 110.3 59.4 -67.3 -36.5 -12.8 36.9 29.9 77 80 A G H X S+ 0 0 0 -4,-1.8 4,-1.3 -5,-0.2 -2,-0.2 0.925 113.0 39.0 -56.3 -43.5 -9.6 38.4 31.0 78 81 A H H X S+ 0 0 18 -4,-2.4 4,-2.4 -40,-0.2 -2,-0.2 0.967 117.9 46.2 -70.3 -55.4 -8.8 35.1 32.7 79 82 A K H X S+ 0 0 99 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.910 113.4 48.6 -56.3 -47.2 -10.2 32.7 30.1 80 83 A L H X S+ 0 0 4 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.879 112.2 47.7 -64.5 -38.8 -8.5 34.5 27.2 81 84 A H H X S+ 0 0 0 -4,-1.3 4,-2.6 -5,-0.4 5,-0.2 0.906 109.2 54.6 -68.7 -37.6 -5.1 34.6 28.8 82 85 A A H X S+ 0 0 24 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.874 112.2 43.9 -61.5 -37.3 -5.5 30.9 29.8 83 86 A L H X S+ 0 0 55 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.2 0.896 110.4 57.2 -72.1 -40.1 -6.1 30.2 26.1 84 87 A Y H < S+ 0 0 0 -4,-2.5 3,-0.4 1,-0.2 4,-0.2 0.913 105.8 47.7 -56.2 -49.8 -3.2 32.5 25.1 85 88 A W H >< S+ 0 0 2 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.912 115.1 45.3 -60.0 -45.6 -0.6 30.7 27.2 86 89 A E H 3< S+ 0 0 99 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.659 104.2 64.4 -73.1 -16.9 -1.7 27.3 25.8 87 90 A N T 3< S+ 0 0 11 -4,-1.3 106,-3.4 -3,-0.4 2,-0.3 0.458 101.9 59.7 -86.2 -0.6 -1.8 28.6 22.3 88 91 A M B < +A 192 0A 1 -3,-1.2 104,-0.2 104,-0.3 103,-0.0 -0.838 58.4 176.7-124.5 164.1 1.9 29.3 22.3 89 92 A A - 0 0 2 102,-2.2 3,-0.1 -2,-0.3 5,-0.1 -0.976 42.7 -78.6-161.7 151.0 5.0 27.2 22.8 90 93 A P S >> S- 0 0 22 0, 0.0 4,-2.9 0, 0.0 3,-0.7 -0.183 70.4 -77.1 -53.5 147.3 8.8 27.7 22.7 91 94 A S B 34 S+b 94 0B 74 -74,-0.5 2,-0.7 -72,-0.3 4,-0.2 -0.158 123.0 32.3 -46.9 136.1 10.3 27.9 19.2 92 95 A G T 34 S+ 0 0 70 2,-2.2 -1,-0.2 98,-0.3 99,-0.0 -0.717 125.4 43.4 112.9 -75.2 10.5 24.4 17.7 93 96 A K T <4 S+ 0 0 135 -2,-0.7 102,-0.4 -3,-0.7 2,-0.2 0.846 124.5 47.2 -66.8 -33.4 7.4 23.1 19.5 94 97 A G B < S+b 91 0B 3 -4,-2.9 -2,-2.2 96,-0.1 99,-0.2 -0.651 98.5 31.3-105.4 162.6 5.9 26.4 18.5 95 98 A G S S+ 0 0 14 97,-2.4 99,-0.3 -2,-0.2 95,-0.2 -0.294 71.0 86.6 86.9-174.7 5.9 28.2 15.2 96 99 A G S S- 0 0 57 -2,-0.1 -1,-0.1 93,-0.1 96,-0.1 -0.489 84.5 -47.6 81.8-152.6 6.0 26.7 11.7 97 100 A K - 0 0 147 -2,-0.2 2,-0.1 1,-0.0 6,-0.1 -0.855 51.7-107.6-122.8 157.3 2.8 25.7 9.9 98 101 A P - 0 0 12 0, 0.0 2,-0.1 0, 0.0 15,-0.1 -0.442 33.6-171.7 -80.4 155.3 -0.3 23.7 10.9 99 102 A G > + 0 0 26 95,-0.2 4,-2.4 -2,-0.1 3,-0.4 -0.369 43.8 37.5-123.9-155.4 -1.0 20.2 9.6 100 103 A G H > S- 0 0 55 1,-0.2 4,-1.8 2,-0.2 3,-0.2 0.054 119.7 -19.8 46.3-149.1 -3.9 17.8 9.7 101 104 A A H > S+ 0 0 28 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.848 135.6 59.4 -58.9 -38.5 -7.5 18.9 9.4 102 105 A L H > S+ 0 0 0 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.940 106.4 47.1 -58.5 -47.7 -6.6 22.5 10.4 103 106 A A H X S+ 0 0 20 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.908 112.4 50.5 -61.0 -42.1 -4.3 22.9 7.5 104 107 A D H X S+ 0 0 83 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.935 110.8 47.5 -63.4 -46.7 -6.9 21.4 5.1 105 108 A L H X S+ 0 0 31 -4,-2.9 4,-2.2 1,-0.2 5,-0.3 0.913 111.1 52.6 -60.2 -42.3 -9.6 23.8 6.3 106 109 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 5,-0.4 0.905 110.0 48.2 -61.0 -41.0 -7.2 26.7 6.0 107 110 A N H X S+ 0 0 75 -4,-2.3 4,-1.6 3,-0.2 -1,-0.2 0.903 112.0 49.3 -67.5 -39.1 -6.4 25.7 2.4 108 111 A K H < S+ 0 0 156 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.845 122.7 31.5 -68.5 -34.5 -10.1 25.3 1.5 109 112 A Q H < S+ 0 0 68 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.734 135.4 23.1 -97.0 -25.8 -11.1 28.7 2.9 110 113 A Y H < S- 0 0 48 -4,-2.8 2,-0.6 -5,-0.3 -3,-0.2 0.407 95.5-121.2-120.9 0.1 -8.0 30.8 2.4 111 114 A G S < S- 0 0 59 -4,-1.6 2,-0.3 -5,-0.4 -4,-0.2 -0.158 84.2 -0.2 88.6 -42.4 -6.2 29.1 -0.4 112 115 A S S > S- 0 0 44 -2,-0.6 4,-2.4 -6,-0.3 5,-0.1 -0.976 73.8-102.8-169.1 164.2 -3.1 28.5 1.6 113 116 A F H > S+ 0 0 18 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.903 119.4 57.9 -62.7 -41.2 -1.5 29.0 5.0 114 117 A D H > S+ 0 0 109 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.918 108.3 44.5 -55.6 -46.8 0.5 31.9 3.5 115 118 A R H > S+ 0 0 116 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.961 112.8 51.8 -64.4 -47.6 -2.6 33.7 2.4 116 119 A F H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.920 107.3 53.0 -52.8 -48.1 -4.3 33.0 5.8 117 120 A K H X S+ 0 0 74 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.904 109.8 49.3 -54.6 -44.4 -1.3 34.4 7.6 118 121 A Q H X S+ 0 0 117 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.945 113.0 44.6 -60.5 -52.4 -1.5 37.6 5.6 119 122 A V H X S+ 0 0 31 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.878 115.6 48.0 -62.0 -39.0 -5.2 38.1 6.1 120 123 A F H X S+ 0 0 1 -4,-2.9 4,-3.0 -5,-0.3 -1,-0.2 0.919 112.9 47.3 -68.1 -44.9 -4.9 37.4 9.9 121 124 A T H X S+ 0 0 19 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.918 113.4 49.4 -62.0 -43.0 -1.9 39.7 10.3 122 125 A E H X S+ 0 0 126 -4,-2.7 4,-1.0 -5,-0.2 -2,-0.2 0.913 113.8 45.2 -62.5 -44.5 -3.7 42.4 8.4 123 126 A T H < S+ 0 0 38 -4,-2.4 4,-0.5 2,-0.2 3,-0.4 0.899 111.6 52.5 -68.5 -40.3 -6.9 42.0 10.5 124 127 A A H >< S+ 0 0 0 -4,-3.0 3,-1.1 1,-0.2 -2,-0.2 0.913 110.0 48.4 -62.2 -42.7 -4.9 41.9 13.7 125 128 A N H 3< S+ 0 0 54 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.708 102.0 63.9 -71.8 -19.1 -3.1 45.1 12.9 126 129 A S T 3< S+ 0 0 74 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.607 72.8 121.3 -79.2 -11.8 -6.4 46.9 12.0 127 130 A L < - 0 0 3 -3,-1.1 2,-1.0 -4,-0.5 4,-0.1 -0.345 62.3-138.4 -57.6 116.8 -7.6 46.5 15.6 128 131 A P - 0 0 28 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.679 67.5 -23.2 -81.2 103.5 -8.3 50.0 16.9 129 132 A G S S- 0 0 11 -2,-1.0 2,-0.2 228,-0.1 150,-0.0 -0.578 108.6 -19.9 97.1-161.1 -7.0 50.1 20.4 130 133 A T S S+ 0 0 4 -2,-0.2 21,-2.2 39,-0.0 2,-0.3 -0.503 83.8 85.7 -87.4 154.8 -6.4 47.2 22.8 131 134 A G E -C 150 0C 0 19,-0.3 37,-3.0 -2,-0.2 2,-0.3 -0.969 64.9 -65.6 160.4-142.8 -8.0 43.7 22.5 132 135 A W E -CD 149 167C 0 17,-1.5 17,-2.9 -2,-0.3 2,-0.4 -0.941 17.5-142.8-144.7 163.6 -7.4 40.4 20.8 133 136 A A E +CD 148 166C 1 33,-2.0 33,-3.1 -2,-0.3 2,-0.3 -0.999 32.2 175.4-127.9 127.4 -7.3 38.7 17.4 134 137 A V E -CD 147 165C 0 13,-3.2 13,-2.1 -2,-0.4 2,-0.6 -0.936 31.3-139.9-135.6 160.2 -8.7 35.2 17.2 135 138 A L E -CD 146 164C 0 29,-2.4 28,-3.3 -2,-0.3 29,-1.6 -0.984 28.6-162.7-117.9 116.2 -9.5 32.4 14.7 136 139 A Y E -CD 145 162C 4 9,-3.3 9,-0.7 -2,-0.6 2,-0.6 -0.608 18.2-142.1 -95.2 159.3 -12.7 30.7 15.6 137 140 A Y E -C 144 0C 25 24,-2.0 2,-0.8 7,-0.2 7,-0.2 -0.967 21.2-148.5-117.4 105.9 -13.9 27.4 14.4 138 141 A D > - 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0 0 3 102,-2.2 3,-0.1 -2,-0.3 105,-0.1 -0.976 42.7 -78.5-161.6 151.3 2.7 71.0 33.5 296 93 B P S >> S- 0 0 41 0, 0.0 4,-3.2 0, 0.0 3,-0.7 -0.186 70.4 -77.1 -53.6 147.5 6.1 70.5 35.1 297 94 B S B 34 S+g 300 0E 75 -74,-0.5 2,-0.6 -72,-0.3 4,-0.2 -0.162 122.7 35.1 -47.1 135.9 5.9 70.3 38.9 298 95 B G T 34 S+ 0 0 69 2,-2.2 -1,-0.2 98,-0.3 99,-0.0 -0.723 125.5 40.3 113.5 -76.1 5.5 73.8 40.3 299 96 B K T <4 S+ 0 0 107 -3,-0.7 102,-0.4 -2,-0.6 101,-0.2 0.901 124.2 52.2 -67.4 -36.5 3.3 75.1 37.5 300 97 B G B < S+g 297 0E 4 -4,-3.2 -2,-2.2 99,-0.1 99,-0.2 -0.588 98.4 27.6 -97.3 161.6 1.7 71.7 37.7 301 98 B G S S+ 0 0 14 97,-2.4 99,-0.3 -2,-0.2 95,-0.2 -0.289 72.8 86.1 86.8-174.8 0.3 70.0 40.8 302 99 B G S S- 0 0 50 93,-0.1 -1,-0.1 -2,-0.1 96,-0.1 -0.495 84.5 -45.8 82.0-152.7 -1.1 71.5 43.9 303 100 B K - 0 0 145 -2,-0.2 2,-0.2 1,-0.0 6,-0.1 -0.801 51.5-108.8-120.0 159.5 -4.7 72.5 44.2 304 101 B P - 0 0 13 0, 0.0 2,-0.1 0, 0.0 15,-0.1 -0.526 33.6-172.1 -84.1 155.5 -7.2 74.4 42.0 305 102 B G > + 0 0 39 95,-0.2 4,-2.4 -2,-0.2 3,-0.4 -0.374 43.5 37.6-124.0-155.4 -8.3 77.9 42.9 306 103 B G H > S- 0 0 46 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.050 119.7 -19.9 46.2-149.2 -10.9 80.4 41.6 307 104 B A H > S+ 0 0 22 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.847 135.6 59.4 -58.9 -38.4 -14.3 79.2 40.3 308 105 B L H > S+ 0 0 0 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.939 106.8 46.3 -58.6 -47.5 -13.1 75.6 39.8 309 106 B A H X S+ 0 0 17 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.908 112.5 51.7 -61.2 -42.7 -12.2 75.3 43.5 310 107 B D H X S+ 0 0 83 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.925 110.8 46.3 -60.1 -48.5 -15.5 76.8 44.5 311 108 B L H X S+ 0 0 32 -4,-2.8 4,-2.2 1,-0.2 5,-0.3 0.899 111.1 53.4 -61.5 -42.1 -17.5 74.4 42.3 312 109 B I H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 5,-0.4 0.904 110.0 47.5 -60.9 -41.0 -15.5 71.5 43.6 313 110 B N H X S+ 0 0 73 -4,-2.3 4,-1.6 3,-0.2 -1,-0.2 0.904 111.9 49.7 -67.6 -40.9 -16.3 72.4 47.2 314 111 B K H < S+ 0 0 158 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.860 122.9 31.0 -65.6 -35.9 -20.0 72.9 46.5 315 112 B Q H < S+ 0 0 68 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.728 135.3 23.5 -96.8 -25.5 -20.3 69.5 44.7 316 113 B Y H < S- 0 0 46 -4,-2.8 2,-0.6 -5,-0.3 -3,-0.2 0.408 95.8-121.3-121.0 0.0 -17.7 67.4 46.5 317 114 B G S < S- 0 0 59 -4,-1.6 2,-0.3 -5,-0.4 -4,-0.2 -0.164 84.2 -0.1 88.4 -42.5 -17.3 69.1 49.8 318 115 B S S > S- 0 0 35 -2,-0.6 4,-2.4 -6,-0.3 3,-0.1 -0.977 73.1-103.8-168.9 164.3 -13.6 69.7 49.3 319 116 B F H > S+ 0 0 24 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.900 119.3 59.3 -62.7 -40.4 -10.7 69.1 46.8 320 117 B D H > S+ 0 0 105 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.859 108.3 43.2 -56.4 -41.7 -9.5 66.3 49.1 321 118 B R H > S+ 0 0 114 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.941 112.8 52.9 -70.8 -47.0 -12.8 64.4 48.7 322 119 B F H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.921 106.6 53.0 -52.7 -48.5 -12.9 65.1 45.0 323 120 B K H X S+ 0 0 78 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.903 109.8 49.4 -54.2 -44.5 -9.4 63.7 44.6 324 121 B Q H X S+ 0 0 114 -4,-1.4 4,-2.6 -5,-0.2 -2,-0.2 0.943 113.0 44.6 -60.2 -52.4 -10.5 60.5 46.4 325 122 B V H X S+ 0 0 32 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.880 115.6 48.0 -62.1 -39.0 -13.6 60.0 44.3 326 123 B F H X S+ 0 0 0 -4,-2.9 4,-3.0 -5,-0.3 -1,-0.2 0.920 112.9 47.3 -68.0 -45.0 -11.8 60.8 41.0 327 124 B T H X S+ 0 0 19 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.919 113.4 49.3 -62.0 -43.0 -8.9 58.5 41.9 328 125 B E H X S+ 0 0 126 -4,-2.6 4,-1.0 -5,-0.2 -2,-0.2 0.914 113.8 45.2 -62.3 -44.6 -11.3 55.7 42.9 329 126 B T H < S+ 0 0 39 -4,-2.4 4,-0.5 1,-0.2 3,-0.3 0.899 111.6 52.4 -68.4 -40.0 -13.3 56.2 39.6 330 127 B A H >< S+ 0 0 0 -4,-3.0 3,-1.1 1,-0.2 -2,-0.2 0.911 110.0 48.4 -62.5 -42.9 -10.2 56.3 37.5 331 128 B N H 3< S+ 0 0 57 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.712 102.0 64.0 -71.7 -19.2 -8.9 53.0 39.0 332 129 B S T 3< S+ 0 0 78 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.607 72.8 121.2 -78.9 -11.8 -12.2 51.3 38.5 333 130 B L < - 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