==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-JUN-02 1IX9 . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.F.ANDERSON,R.A.EDWARDS,M.M.WHITTAKER,J.W.WHITTAKER, . 410 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17593.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 14 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 40.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 8 0 0 0 1 2 1 4 0 2 2 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A S 0 0 131 0, 0.0 2,-0.1 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 176.4 -13.8 35.5 12.0 2 2 A Y - 0 0 18 33,-0.2 2,-0.3 34,-0.0 37,-0.0 -0.438 360.0-162.1 -76.5 152.7 -10.6 33.6 11.3 3 3 A T - 0 0 103 -2,-0.1 -1,-0.0 36,-0.0 29,-0.0 -0.961 30.3-101.2-132.3 155.7 -10.7 30.2 9.7 4 4 A L - 0 0 40 -2,-0.3 2,-0.1 1,-0.1 28,-0.1 -0.654 51.2-127.4 -69.3 118.3 -8.2 27.4 9.3 5 5 A P - 0 0 36 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.375 13.4-113.0 -72.5 148.7 -6.9 27.8 5.8 6 6 A S - 0 0 114 1,-0.1 0, 0.0 -2,-0.1 0, 0.0 -0.433 40.8-116.3 -68.2 151.6 -6.9 25.1 3.2 7 7 A L - 0 0 32 2,-0.2 -1,-0.1 -2,-0.1 79,-0.1 -0.474 8.2-121.4 -91.1 164.6 -3.4 24.0 2.3 8 8 A P S S+ 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.368 94.6 12.2 -80.5 5.6 -1.5 24.3 -1.0 9 9 A Y S S- 0 0 39 80,-0.0 -2,-0.2 5,-0.0 2,-0.1 -0.970 90.5 -79.4-167.3 164.8 -1.0 20.5 -1.0 10 10 A A > - 0 0 62 -2,-0.3 3,-2.1 1,-0.1 4,-0.2 -0.406 52.3-103.3 -71.7 159.9 -2.0 17.2 0.6 11 11 A Y T 3 S+ 0 0 61 1,-0.3 3,-0.4 2,-0.1 12,-0.2 0.711 120.2 53.6 -60.6 -23.5 -0.4 16.4 3.9 12 12 A D T > S+ 0 0 89 1,-0.2 3,-1.4 2,-0.1 -1,-0.3 0.344 78.7 98.4 -91.8 5.6 2.0 13.9 2.3 13 13 A A T < S+ 0 0 39 -3,-2.1 77,-0.3 1,-0.3 -1,-0.2 0.635 79.1 53.7 -74.0 -16.2 3.4 16.3 -0.3 14 14 A L T >> S+ 0 0 2 -3,-0.4 3,-2.1 4,-0.2 4,-1.5 0.396 89.0 153.8-100.3 3.0 6.5 17.1 1.7 15 15 A E T <4 + 0 0 61 -3,-1.4 4,-0.1 1,-0.3 75,-0.1 -0.425 54.3 28.8 -64.2 146.4 7.6 13.5 2.1 16 16 A P T 34 S+ 0 0 79 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.896 128.6 44.4 -92.8 22.0 10.3 12.2 2.6 17 17 A H T <4 S+ 0 0 31 -3,-2.1 2,-0.4 1,-0.3 -2,-0.2 0.945 119.1 26.2 -91.3 -60.1 11.4 15.5 4.3 18 18 A F S < S- 0 0 8 -4,-1.5 -1,-0.3 169,-0.1 -4,-0.2 -0.934 92.6-114.7-107.8 131.9 8.6 16.5 6.6 19 19 A D > - 0 0 21 -2,-0.4 4,-2.2 -3,-0.1 3,-0.1 -0.410 10.4-136.9 -77.4 140.3 6.4 13.7 7.9 20 20 A K H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.782 100.5 59.5 -67.5 -28.8 2.7 13.6 6.9 21 21 A Q H > S+ 0 0 105 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.945 109.0 44.6 -64.5 -46.2 1.4 12.6 10.3 22 22 A T H > S+ 0 0 5 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.925 109.2 56.5 -60.3 -45.7 2.9 15.8 11.8 23 23 A M H X S+ 0 0 4 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.935 111.0 44.5 -51.6 -48.6 1.6 17.9 8.9 24 24 A E H X S+ 0 0 89 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.927 116.9 43.0 -65.4 -45.7 -1.9 16.7 9.6 25 25 A I H X>S+ 0 0 6 -4,-2.4 4,-2.7 1,-0.2 5,-1.4 0.931 113.2 53.5 -60.6 -47.2 -1.8 17.1 13.4 26 26 A H H <>S+ 0 0 4 -4,-3.1 5,-2.6 -5,-0.2 -1,-0.2 0.884 117.3 36.6 -59.7 -40.6 -0.0 20.5 13.1 27 27 A H H <>S+ 0 0 15 -4,-2.0 5,-1.2 -5,-0.3 -2,-0.2 0.957 124.2 37.2 -73.2 -57.9 -2.7 21.8 10.7 28 28 A T H <5S+ 0 0 46 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.681 132.1 21.5 -79.6 -18.8 -5.9 20.3 12.2 29 29 A K T X5S+ 0 0 89 -4,-2.7 4,-2.4 -5,-0.3 -3,-0.2 0.743 128.4 32.9-110.5 -68.3 -5.0 20.5 15.9 30 30 A H H >< S+ 0 0 55 -4,-2.2 3,-0.6 1,-0.2 4,-0.4 0.909 111.3 46.3 -60.6 -40.8 -12.8 33.7 21.1 41 41 A A H 3< S+ 0 0 8 -4,-1.6 3,-0.4 1,-0.2 -1,-0.2 0.754 111.1 52.5 -71.6 -26.3 -10.7 36.8 22.0 42 42 A L H >< S+ 0 0 5 -4,-1.7 3,-2.1 1,-0.2 7,-0.3 0.586 82.3 89.7 -87.2 -9.5 -12.0 38.8 19.1 43 43 A E T << S+ 0 0 159 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.1 0.866 92.8 43.2 -59.7 -34.0 -15.7 38.3 19.7 44 44 A S T 3 S+ 0 0 76 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.1 0.408 107.3 66.1 -88.6 5.6 -15.9 41.4 21.9 45 45 A L X> + 0 0 8 -3,-2.1 4,-2.4 1,-0.1 3,-2.0 -0.601 51.9 163.6-127.8 66.5 -13.8 43.5 19.4 46 46 A P H 3> S+ 0 0 89 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.795 77.3 60.7 -59.8 -23.6 -15.8 43.8 16.2 47 47 A E H 34 S+ 0 0 118 1,-0.2 -2,-0.0 2,-0.1 -5,-0.0 0.647 115.7 32.3 -75.2 -17.4 -13.5 46.7 15.1 48 48 A F H X4 S+ 0 0 17 -3,-2.0 3,-1.3 -6,-0.2 -1,-0.2 0.631 102.4 75.8-105.9 -26.1 -10.5 44.3 15.2 49 49 A A H 3< S+ 0 0 24 -4,-2.4 -2,-0.1 -7,-0.3 -7,-0.1 0.745 91.8 56.1 -65.3 -24.1 -12.2 41.0 14.2 50 50 A N T 3< S+ 0 0 146 -4,-0.6 -1,-0.3 2,-0.1 -2,-0.1 0.619 83.6 102.5 -82.1 -15.0 -12.4 42.0 10.5 51 51 A L S < S- 0 0 34 -3,-1.3 -3,-0.0 1,-0.1 2,-0.0 -0.391 84.2-104.0 -68.3 144.8 -8.8 42.7 10.0 52 52 A P >> - 0 0 74 0, 0.0 4,-2.6 0, 0.0 3,-1.4 -0.399 35.3-117.2 -56.2 145.3 -6.6 40.2 8.2 53 53 A V H 3> S+ 0 0 7 1,-0.3 4,-2.1 2,-0.2 26,-0.1 0.852 114.4 57.1 -59.0 -37.5 -4.6 38.4 10.8 54 54 A E H 34 S+ 0 0 83 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.729 110.7 44.5 -70.7 -18.5 -1.3 39.7 9.4 55 55 A E H X4 S+ 0 0 74 -3,-1.4 3,-1.6 2,-0.2 4,-0.5 0.836 108.1 56.3 -84.5 -42.7 -2.6 43.2 9.8 56 56 A L H >< S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.917 101.9 56.9 -61.0 -35.9 -3.9 42.7 13.3 57 57 A I T 3< S+ 0 0 0 -4,-2.1 3,-0.4 1,-0.3 -1,-0.3 0.650 102.5 55.8 -73.3 -7.7 -0.5 41.5 14.5 58 58 A T T < S+ 0 0 62 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.424 110.7 47.0 -88.3 -5.2 1.0 44.9 13.3 59 59 A K X + 0 0 62 -3,-1.7 3,-2.4 -4,-0.5 4,-0.4 0.093 67.1 121.8-129.6 21.6 -1.6 46.7 15.5 60 60 A L G > + 0 0 7 -3,-0.4 3,-1.2 1,-0.3 -1,-0.1 0.816 68.7 67.7 -65.3 -27.2 -1.4 44.9 18.8 61 61 A D G 3 S+ 0 0 108 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.678 95.2 58.3 -53.0 -27.0 -0.5 48.2 20.5 62 62 A Q G < S+ 0 0 113 -3,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.530 87.0 99.7 -89.3 -7.3 -4.1 49.4 19.7 63 63 A L S < S- 0 0 8 -3,-1.2 5,-0.1 -4,-0.4 -18,-0.0 -0.378 86.3 -92.1 -77.9 158.0 -5.8 46.6 21.6 64 64 A P >> - 0 0 54 0, 0.0 3,-2.5 0, 0.0 4,-0.7 -0.327 41.9-110.6 -60.4 150.0 -7.2 46.8 25.1 65 65 A A H >> S+ 0 0 84 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.852 116.5 55.4 -53.3 -37.6 -4.7 45.8 27.8 66 66 A D H 34 S+ 0 0 134 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.500 109.5 46.2 -81.3 0.5 -6.6 42.7 28.6 67 67 A K H <> S+ 0 0 34 -3,-2.5 4,-1.9 2,-0.1 5,-0.3 0.426 87.5 89.6-110.9 -7.7 -6.5 41.4 25.1 68 68 A K H S+ 0 0 52 1,-0.2 4,-2.3 -4,-0.2 5,-0.3 0.892 116.8 41.8 -61.4 -35.6 -4.0 36.4 24.2 71 71 A L H X>S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 5,-1.2 0.883 110.5 55.7 -80.4 -34.6 -4.1 37.9 20.7 72 72 A R H X5S+ 0 0 79 -4,-2.6 4,-1.0 -5,-0.3 5,-0.2 0.955 116.6 39.2 -50.5 -51.6 -0.3 38.3 20.5 73 73 A N H X5S+ 0 0 22 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.925 127.3 30.5 -69.0 -47.1 -0.1 34.5 21.2 74 74 A N H X5S+ 0 0 13 -4,-2.3 4,-2.4 -5,-0.3 -36,-0.2 0.888 122.9 44.0 -89.4 -41.4 -3.1 33.3 19.1 75 75 A A H X5S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.3 5,-0.2 0.898 115.5 52.7 -65.7 -37.9 -3.2 35.8 16.3 76 76 A G H X< S+ 0 0 3 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.928 114.1 44.9 -62.4 -43.7 2.1 26.3 5.0 86 86 A K H 3< S+ 0 0 124 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.748 107.6 62.6 -65.9 -24.3 2.4 28.6 1.9 87 87 A G T 3< S+ 0 0 9 -4,-1.6 106,-2.7 -3,-0.4 2,-0.4 0.249 90.8 78.7 -91.7 13.5 6.2 28.7 2.5 88 88 A L B < +A 192 0A 1 -3,-1.2 2,-0.2 104,-0.3 104,-0.2 -0.957 47.1 132.2-124.4 138.5 6.8 25.0 1.9 89 89 A K - 0 0 83 102,-2.5 3,-0.4 -2,-0.4 105,-0.2 -0.804 43.5-121.0-175.4 143.4 7.0 23.1 -1.4 90 90 A K S S+ 0 0 91 -77,-0.3 101,-0.1 -2,-0.2 100,-0.1 -0.550 85.5 33.4 -84.1 156.8 9.3 20.5 -3.0 91 91 A G S S+ 0 0 77 99,-0.5 -1,-0.2 1,-0.3 2,-0.2 0.524 78.1 135.5 86.2 7.6 11.3 21.0 -6.2 92 92 A T - 0 0 28 -3,-0.4 2,-0.4 100,-0.2 -1,-0.3 -0.485 40.5-147.9 -87.6 162.6 12.0 24.8 -6.1 93 93 A T - 0 0 94 -2,-0.2 2,-0.3 100,-0.0 100,-0.0 -0.996 19.1-123.5-129.4 123.5 15.3 26.4 -6.9 94 94 A L + 0 0 19 -2,-0.4 2,-0.3 4,-0.1 101,-0.1 -0.516 59.2 133.9 -63.5 127.0 16.5 29.6 -5.3 95 95 A Q >> + 0 0 117 -2,-0.3 4,-1.6 99,-0.2 3,-0.7 -0.924 30.0 28.5-159.8 175.4 17.1 32.0 -8.2 96 96 A G H 3> S- 0 0 52 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 -0.084 112.2 -11.2 66.1-148.1 16.6 35.4 -9.7 97 97 A D H 3> S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.852 134.8 52.8 -63.3 -37.9 16.3 38.6 -7.7 98 98 A L H <> S+ 0 0 3 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.924 109.5 49.2 -67.5 -43.6 15.9 36.9 -4.3 99 99 A K H X S+ 0 0 83 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.938 112.8 48.3 -54.4 -49.0 19.1 34.8 -4.9 100 100 A A H X S+ 0 0 52 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.890 110.7 50.2 -63.0 -38.0 21.0 37.9 -5.9 101 101 A A H X S+ 0 0 4 -4,-2.3 4,-2.6 2,-0.2 37,-0.2 0.892 109.9 50.7 -69.4 -38.1 19.7 39.8 -2.8 102 102 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.4 0.938 111.7 48.0 -60.7 -45.6 20.8 37.0 -0.5 103 103 A E H X S+ 0 0 82 -4,-2.6 4,-1.5 -5,-0.2 -2,-0.2 0.911 113.7 48.9 -63.5 -37.9 24.2 37.0 -2.1 104 104 A R H < S+ 0 0 145 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.933 118.4 36.0 -62.8 -47.9 24.4 40.8 -1.7 105 105 A D H < S+ 0 0 34 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.721 132.4 26.2 -88.9 -20.0 23.3 40.9 1.9 106 106 A F H < S- 0 0 25 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.413 101.2-119.4-118.4 -8.6 25.0 37.8 3.2 107 107 A G S < S+ 0 0 56 -4,-1.5 2,-0.3 -5,-0.4 -4,-0.2 -0.092 86.4 10.4 93.8 -33.3 27.9 37.5 0.7 108 108 A S S > S- 0 0 35 -6,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.965 76.4-108.3-163.2 160.0 26.8 34.0 -0.5 109 109 A V H > S+ 0 0 20 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.931 119.6 53.9 -61.4 -39.0 23.8 31.6 -0.3 110 110 A D H > S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.879 105.8 51.7 -67.0 -36.9 25.9 29.3 1.9 111 111 A N H > S+ 0 0 92 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.926 111.3 48.5 -60.9 -44.0 26.7 32.1 4.3 112 112 A F H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.936 110.2 51.1 -57.3 -48.5 23.0 32.9 4.5 113 113 A K H X S+ 0 0 56 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.919 109.6 50.0 -61.2 -41.5 22.1 29.2 5.1 114 114 A A H X S+ 0 0 54 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.915 112.3 47.8 -63.3 -40.8 24.6 28.9 7.9 115 115 A E H X S+ 0 0 91 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.908 112.5 48.1 -66.4 -42.1 23.3 32.0 9.6 116 116 A F H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.928 111.7 50.6 -65.0 -44.2 19.7 30.9 9.3 117 117 A E H X S+ 0 0 70 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.908 110.1 50.0 -53.7 -46.9 20.6 27.4 10.7 118 118 A K H X S+ 0 0 158 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.916 112.2 46.3 -62.1 -44.8 22.4 29.0 13.6 119 119 A A H X S+ 0 0 16 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.920 115.0 47.6 -64.1 -44.1 19.4 31.3 14.4 120 120 A A H < S+ 0 0 0 -4,-2.8 3,-0.4 1,-0.2 -2,-0.2 0.884 115.5 44.6 -64.2 -40.5 17.0 28.3 14.1 121 121 A A H < S+ 0 0 52 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.817 112.6 50.7 -73.2 -31.6 19.1 26.1 16.2 122 122 A S H < S+ 0 0 83 -4,-2.0 2,-1.1 -5,-0.2 -1,-0.2 0.470 75.0 109.2 -95.5 0.8 19.8 28.7 18.9 123 123 A R < - 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0 0 17 33,-0.2 2,-0.3 47,-0.1 37,-0.0 -0.454 360.0-161.7 -63.5 151.2 27.4 16.2 35.1 209 3 B T - 0 0 102 -2,-0.1 -1,-0.0 36,-0.0 29,-0.0 -0.939 28.4 -98.7-133.5 157.1 25.9 12.9 34.3 210 4 B L - 0 0 38 -2,-0.3 2,-0.2 1,-0.1 28,-0.1 -0.658 47.1-130.0 -71.4 119.1 22.5 11.6 33.3 211 5 B P - 0 0 40 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.481 16.6-115.4 -73.1 142.9 21.0 10.3 36.6 212 6 B S - 0 0 110 -2,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.414 39.0-108.9 -65.2 145.1 19.4 6.9 36.6 213 7 B L - 0 0 26 2,-0.2 -1,-0.1 1,-0.1 79,-0.1 -0.424 14.0-123.7 -71.9 160.2 15.7 7.1 37.2 214 8 B P S S+ 0 0 82 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.431 92.7 20.0 -79.2 2.9 14.2 5.9 40.5 215 9 B Y S S- 0 0 39 80,-0.0 -2,-0.2 5,-0.0 2,-0.1 -0.953 95.0 -76.4-160.7 163.5 11.9 3.5 38.6 216 10 B A > - 0 0 60 -2,-0.3 3,-2.1 1,-0.1 4,-0.2 -0.352 50.1-105.1 -63.7 159.0 11.5 1.7 35.3 217 11 B Y T 3 S+ 0 0 68 1,-0.3 3,-0.4 2,-0.1 12,-0.2 0.754 121.8 49.8 -62.7 -24.9 10.3 3.7 32.3 218 12 B D T > S+ 0 0 87 1,-0.2 3,-1.5 2,-0.1 -1,-0.3 0.348 79.6 102.0 -92.1 8.1 6.8 2.0 32.6 219 13 B A T < S+ 0 0 34 -3,-2.1 77,-0.3 1,-0.3 -1,-0.2 0.578 79.2 51.4 -74.1 -12.2 6.5 2.8 36.3 220 14 B L T >> S+ 0 0 1 -3,-0.4 3,-2.3 4,-0.2 4,-1.7 0.329 91.2 155.2-104.7 3.0 4.2 5.7 35.7 221 15 B E T <4 + 0 0 60 -3,-1.5 4,-0.1 1,-0.3 -3,-0.0 -0.415 53.1 28.4 -63.4 145.0 1.7 3.8 33.5 222 16 B P T 34 S+ 0 0 79 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.901 128.6 44.4 -92.0 18.9 -1.1 4.2 32.8 223 17 B H T <4 S+ 0 0 31 -3,-2.3 2,-0.4 1,-0.3 -2,-0.2 0.916 119.1 26.2 -89.7 -57.3 -0.7 7.9 33.5 224 18 B F S < S- 0 0 9 -4,-1.7 -1,-0.3 169,-0.1 -4,-0.2 -0.941 92.5-115.9-109.3 134.2 2.5 9.0 31.8 225 19 B D > - 0 0 22 -2,-0.4 4,-2.2 1,-0.1 3,-0.2 -0.425 9.5-135.7 -78.3 140.3 3.6 6.9 28.8 226 20 B K H > S+ 0 0 113 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.837 100.8 59.1 -70.6 -25.2 6.7 4.8 29.0 227 21 B Q H > S+ 0 0 122 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.944 109.1 45.7 -66.5 -42.9 7.9 5.7 25.5 228 22 B T H > S+ 0 0 6 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.934 109.3 55.4 -61.5 -44.2 7.9 9.4 26.4 229 23 B M H X S+ 0 0 3 -4,-2.2 4,-2.0 -12,-0.2 5,-0.2 0.930 111.1 44.9 -52.7 -45.6 9.7 8.6 29.7 230 24 B E H X S+ 0 0 100 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.929 117.1 42.5 -67.2 -45.4 12.4 6.9 27.8 231 25 B I H X>S+ 0 0 12 -4,-2.5 4,-2.6 -5,-0.2 5,-1.2 0.940 114.1 52.1 -60.7 -50.8 12.9 9.6 25.1 232 26 B H H <>S+ 0 0 3 -4,-3.3 5,-2.4 -5,-0.3 -2,-0.2 0.885 118.1 37.7 -57.3 -42.1 12.6 12.4 27.5 233 27 B H H <>S+ 0 0 9 -4,-2.0 5,-1.2 -5,-0.3 -2,-0.2 0.963 123.3 36.9 -70.3 -57.6 15.3 10.8 29.8 234 28 B T H <5S+ 0 0 48 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.678 132.2 22.0 -78.5 -22.2 17.7 9.4 27.3 235 29 B K T X5S+ 0 0 101 -4,-2.6 4,-2.2 -5,-0.3 -3,-0.2 0.765 127.7 33.9-108.1 -69.6 17.5 12.2 24.6 236 30 B H H >< S+ 0 0 1 -4,-1.8 3,-2.4 1,-0.2 7,-0.3 0.618 83.0 87.1 -88.1 -13.3 31.5 24.3 31.9 249 43 B E T 3< S+ 0 0 168 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.1 0.882 91.1 47.8 -58.3 -38.1 34.8 22.8 30.8 250 44 B S T 3 S+ 0 0 77 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.442 105.4 68.2 -77.4 0.1 36.5 26.2 30.7 251 45 B L X> + 0 0 9 -3,-2.4 4,-2.6 1,-0.1 3,-2.4 -0.641 51.7 166.0-123.0 68.6 35.1 27.0 34.2 252 46 B P H 3> S+ 0 0 97 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.779 78.3 62.3 -55.4 -28.1 36.9 24.7 36.7 253 47 B E H 34 S+ 0 0 120 1,-0.2 -3,-0.0 2,-0.1 -2,-0.0 0.583 120.0 23.3 -77.0 -8.7 35.5 26.9 39.5 254 48 B F H X4 S+ 0 0 21 -3,-2.4 3,-1.3 -6,-0.3 -1,-0.2 0.567 102.6 82.1-120.7 -25.2 31.9 26.0 38.5 255 49 B A H 3< S+ 0 0 16 -4,-2.6 -2,-0.1 -7,-0.3 -47,-0.1 0.730 96.4 42.0 -62.0 -28.7 32.1 22.7 36.6 256 50 B N T 3< S+ 0 0 127 -4,-0.5 -1,-0.3 -8,-0.1 -3,-0.1 0.377 88.0 106.2-105.9 6.5 32.2 20.4 39.6 257 51 B L S < S- 0 0 55 -3,-1.3 5,-0.1 1,-0.1 -3,-0.0 -0.478 85.6 -91.6 -75.9 152.8 29.5 22.1 41.7 258 52 B P >> - 0 0 76 0, 0.0 4,-2.4 0, 0.0 3,-1.1 -0.358 35.3-121.4 -60.1 143.9 26.1 20.4 42.1 259 53 B V H 3> S+ 0 0 6 1,-0.3 4,-2.2 2,-0.2 26,-0.1 0.855 112.5 59.5 -59.3 -34.5 23.8 21.7 39.3 260 54 B E H 34 S+ 0 0 84 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.763 108.9 45.0 -62.2 -30.9 21.3 22.9 42.0 261 55 B E H X4 S+ 0 0 98 -3,-1.1 3,-1.6 2,-0.1 4,-0.3 0.868 108.2 56.9 -76.6 -47.5 24.0 25.1 43.4 262 56 B L H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.3 -2,-0.2 0.907 99.8 58.2 -52.3 -42.6 25.2 26.4 40.0 263 57 B I T 3< S+ 0 0 1 -4,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.637 102.8 54.2 -72.8 -5.1 21.7 27.7 39.1 264 58 B T T < S+ 0 0 73 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.431 108.7 52.2 -89.8 -4.7 21.8 29.9 42.2 265 59 B K X + 0 0 70 -3,-2.1 3,-2.1 -4,-0.3 4,-0.4 0.048 66.6 119.4-117.7 3.6 25.2 31.4 41.0 266 60 B L G > S+ 0 0 6 -3,-0.4 3,-1.4 1,-0.3 -1,-0.1 0.847 73.8 56.8 -60.7 -31.3 24.3 32.4 37.4 267 61 B D G 3 S+ 0 0 117 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.577 99.7 62.2 -72.6 -6.8 25.2 36.1 38.1 268 62 B Q G < S+ 0 0 146 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.583 87.3 95.7 -88.4 -10.4 28.7 35.0 39.1 269 63 B L S < S- 0 0 9 -3,-1.4 5,-0.1 -4,-0.4 2,-0.0 -0.320 91.0 -87.2 -75.8 163.1 29.5 33.6 35.7 270 64 B P >> - 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0 0 5 -3,-2.6 -4,-0.1 9,-0.1 -19,-0.1 -0.362 39.0-158.1 -69.2 152.0 14.3 28.5 34.0 354 148 B S > - 0 0 2 -91,-0.1 3,-2.4 10,-0.1 4,-0.3 -0.973 28.8-122.8-128.3 147.4 13.9 27.6 37.7 355 149 B P G > S+ 0 0 2 0, 0.0 3,-1.6 0, 0.0 11,-0.5 0.764 109.7 72.9 -60.1 -20.5 12.7 29.5 40.7 356 150 B L G 3 S+ 0 0 48 1,-0.3 3,-0.1 9,-0.2 11,-0.1 0.697 86.6 64.7 -64.1 -18.2 16.0 28.7 42.3 357 151 B M G < S- 0 0 15 -3,-2.4 4,-0.3 1,-0.2 -1,-0.3 0.648 110.6-123.3 -77.6 -13.5 17.5 31.2 39.8 358 152 B G <> - 0 0 24 -3,-1.6 4,-2.6 -4,-0.3 6,-0.6 -0.112 28.1 -67.6 90.1 169.4 15.6 34.1 41.5 359 153 B E H > S+ 0 0 89 1,-0.2 4,-2.3 4,-0.2 -1,-0.1 0.878 121.8 56.7 -65.8 -43.6 13.1 36.6 40.3 360 154 B A H 4 S+ 0 0 107 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.878 119.5 31.3 -60.7 -38.1 15.2 38.8 38.1 361 155 B I H 4 S+ 0 0 29 -4,-0.3 -2,-0.2 -3,-0.2 -1,-0.2 0.909 135.6 22.2 -82.1 -52.1 16.2 35.9 35.9 362 156 B S H < S- 0 0 11 -4,-2.6 -12,-0.4 2,-0.3 -3,-0.2 0.621 91.2-122.9 -97.9 -12.8 13.2 33.5 36.1 363 157 B G S < S+ 0 0 57 -4,-2.3 2,-0.3 -5,-0.4 -4,-0.2 0.497 89.0 67.6 77.4 5.9 10.3 35.8 37.1 364 158 B A - 0 0 2 -6,-0.6 -2,-0.3 -10,-0.2 2,-0.3 -0.912 59.5-170.3-144.5 172.2 9.7 33.5 40.1 365 159 B S + 0 0 28 -2,-0.3 -9,-0.2 -7,-0.1 2,-0.1 -0.957 30.9 82.6-160.5 171.4 11.4 32.6 43.3 366 160 B G S S- 0 0 20 -11,-0.5 -26,-0.3 -2,-0.3 -8,-0.2 -0.310 76.9 -61.6 110.8 165.5 11.2 30.1 46.1 367 161 B F E -F 339 0D 32 -28,-2.7 -28,-2.2 -2,-0.1 2,-0.2 -0.716 56.5-120.6 -83.9 118.3 12.4 26.6 47.0 368 162 B P E +F 338 0D 0 0, 0.0 -30,-0.3 0, 0.0 3,-0.1 -0.422 31.1 177.3 -65.6 130.9 10.7 24.1 44.6 369 163 B I E S- 0 0 2 -32,-3.3 2,-0.3 1,-0.5 37,-0.2 0.829 71.4 -26.6 -90.8 -47.8 8.6 21.5 46.3 370 164 B M E -F 337 0D 3 -33,-1.5 -33,-2.2 36,-0.1 -1,-0.5 -0.946 64.7-163.1-155.7 171.6 7.5 19.8 43.1 371 165 B G E -F 336 0D 4 -2,-0.3 2,-0.4 -35,-0.2 -35,-0.2 -0.994 15.7-135.5-159.4 161.7 7.0 20.7 39.5 372 166 B L E -F 335 0D 0 -37,-2.9 -37,-2.3 -2,-0.3 2,-0.5 -0.980 21.0-135.4-122.5 125.4 5.4 19.7 36.2 373 167 B D E +F 334 0D 0 -2,-0.4 -39,-0.2 -39,-0.2 -2,-0.0 -0.670 21.9 178.8 -76.1 121.3 7.2 19.9 32.9 374 168 B V + 0 0 0 -41,-2.6 -40,-0.2 -2,-0.5 -1,-0.1 0.181 34.6 127.7-115.6 19.6 5.0 21.5 30.2 375 169 B W S > S- 0 0 7 -42,-0.4 3,-1.9 -43,-0.2 4,-0.4 -0.457 73.0-115.3 -59.7 146.9 7.4 21.5 27.3 376 170 B E G >> S+ 0 0 8 1,-0.3 4,-1.9 2,-0.2 3,-1.8 0.823 112.3 65.8 -58.8 -35.2 5.6 19.8 24.4 377 171 B H G 34 S+ 0 0 1 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.751 93.3 62.8 -59.2 -23.3 8.0 16.9 24.4 378 172 B A G <4 S+ 0 0 5 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.661 123.0 13.2 -73.9 -18.5 6.7 15.9 27.8 379 173 B Y T <>>S+ 0 0 4 -3,-1.8 4,-2.5 -4,-0.4 5,-0.6 0.404 94.5 100.7-140.3 1.1 3.1 15.2 26.5 380 174 B F H X5S+ 0 0 5 -4,-1.9 4,-1.9 3,-0.2 -3,-0.1 0.903 80.5 51.3 -63.1 -49.2 3.1 15.1 22.7 381 175 B L H 45S+ 0 0 53 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.910 125.7 23.5 -60.8 -44.8 3.0 11.3 22.1 382 176 B K H 45S+ 0 0 68 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.837 139.4 22.8 -87.7 -36.2 0.1 10.5 24.4 383 177 B F H ><5S- 0 0 8 -4,-2.5 3,-2.8 1,-0.2 -3,-0.2 0.497 75.7-167.3-113.2 -8.2 -1.7 13.9 24.6 384 178 B Q T 3< + 0 0 116 -3,-2.8 4,-1.5 1,-0.2 3,-0.9 -0.421 35.3 161.3 -87.0 65.0 -4.3 18.5 24.9 387 181 B R H 3> + 0 0 25 -2,-2.0 4,-2.8 1,-0.2 5,-0.2 0.879 68.0 61.2 -55.9 -41.2 -2.2 19.9 27.7 388 182 B P H 3> S+ 0 0 74 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.871 103.5 51.1 -55.2 -34.9 -5.1 20.0 30.2 389 183 B D H <> S+ 0 0 58 -3,-0.9 4,-1.7 2,-0.2 -2,-0.2 0.896 110.6 48.0 -67.2 -39.4 -5.5 16.3 29.9 390 184 B Y H X S+ 0 0 2 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.929 109.6 53.1 -64.4 -42.8 -1.8 15.8 30.7 391 185 B I H X S+ 0 0 3 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.909 107.0 52.5 -59.1 -43.3 -2.0 18.2 33.6 392 186 B K H >< S+ 0 0 129 -4,-2.0 3,-0.8 1,-0.2 4,-0.4 0.905 107.5 51.7 -59.2 -43.9 -4.9 16.1 35.0 393 187 B E H >< S+ 0 0 51 -4,-1.7 3,-1.7 1,-0.2 4,-0.5 0.818 94.4 72.3 -64.6 -30.5 -2.8 12.9 34.8 394 188 B F H >X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.3 3,-1.8 0.867 86.8 64.4 -52.7 -36.6 0.1 14.6 36.7 395 189 B W T << S+ 0 0 33 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.793 98.5 54.8 -60.5 -25.8 -2.0 14.3 39.9 396 190 B N T <4 S+ 0 0 81 -3,-1.7 -99,-0.4 -4,-0.4 -1,-0.3 0.620 119.6 30.8 -78.4 -14.1 -1.8 10.5 39.6 397 191 B V T <4 S+ 0 0 0 -3,-1.8 -102,-2.7 -4,-0.5 -2,-0.2 0.456 79.8 118.9-126.0 -5.0 2.0 10.6 39.5 398 192 B V B < -D 294 0C 0 -4,-1.9 2,-1.2 -104,-0.2 -104,-0.3 -0.454 68.2-123.8 -64.9 134.4 3.3 13.5 41.5 399 193 B N > - 0 0 14 -106,-2.7 4,-2.3 1,-0.2 5,-0.2 -0.644 30.5-179.2 -86.0 94.2 5.4 12.1 44.3 400 194 B W H > S+ 0 0 20 -2,-1.2 4,-1.8 -105,-0.3 -1,-0.2 0.742 78.5 60.4 -71.5 -17.2 3.9 13.4 47.4 401 195 B D H > S+ 0 0 81 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.939 108.8 41.5 -70.1 -42.8 6.5 11.7 49.6 402 196 B E H > S+ 0 0 56 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.906 114.3 53.2 -68.7 -40.9 9.4 13.5 48.0 403 197 B A H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.932 109.5 48.8 -56.0 -46.1 7.4 16.7 48.0 404 198 B A H X S+ 0 0 36 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.894 110.9 50.7 -62.1 -38.4 6.8 16.2 51.8 405 199 B A H X S+ 0 0 51 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.911 111.3 47.0 -66.9 -40.0 10.5 15.5 52.3 406 200 B R H X S+ 0 0 50 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.909 111.9 51.0 -65.7 -41.7 11.5 18.7 50.5 407 201 B F H < S+ 0 0 14 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.906 110.4 50.4 -59.4 -42.8 8.8 20.7 52.5 408 202 B A H < S+ 0 0 75 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.873 116.4 40.3 -63.8 -35.2 10.2 19.2 55.7 409 203 B A H < S- 0 0 45 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.833 87.2-161.4 -77.7 -38.9 13.8 20.2 54.8 410 204 B K < 0 0 74 -4,-2.3 -68,-0.1 -5,-0.1 -3,-0.1 0.208 360.0 360.0 69.4 8.4 12.8 23.5 53.4 411 205 B K 0 0 202 -5,-0.1 -2,-0.1 -44,-0.0 -1,-0.0 -0.917 360.0 360.0-170.9 360.0 15.9 23.7 51.6