==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-JAN-01 1I08 . COMPND 2 MOLECULE: MANGANESE SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.A.EDWARDS,M.M.WHITTAKER,J.W.WHITTAKER,E.N.BAKER, . 820 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35375.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 585 71.3 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 . 76 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 . 4 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 . 36 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 335 40.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.4 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 15 0 0 0 0 4 4 8 0 4 4 0 0 0 0 0 0 0 4 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 . 4 0 0 0 0 4 0 4 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 4 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 0 111 0, 0.0 2,-0.2 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 144.7 39.7 20.8 -9.3 2 2 A Y - 0 0 22 33,-0.3 2,-0.3 50,-0.0 37,-0.0 -0.495 360.0-155.7 -89.0 164.3 39.3 18.4 -6.4 3 3 A T - 0 0 108 -2,-0.2 29,-0.0 36,-0.0 33,-0.0 -0.972 31.0 -95.4-138.0 150.8 37.1 15.3 -6.5 4 4 A L - 0 0 39 -2,-0.3 2,-0.1 1,-0.1 28,-0.1 -0.508 46.3-127.8 -65.9 122.3 35.5 13.3 -3.7 5 5 A P - 0 0 41 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.471 21.3-114.0 -73.1 146.8 37.9 10.4 -3.1 6 6 A S - 0 0 108 -2,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.584 37.0-104.9 -77.5 143.2 36.3 7.0 -3.1 7 7 A L - 0 0 23 -2,-0.2 -1,-0.1 1,-0.1 4,-0.1 -0.355 19.0-127.9 -66.0 145.4 36.4 5.2 0.3 8 8 A P S S+ 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.111 90.0 20.3 -83.7 27.8 38.9 2.4 0.7 9 9 A Y S S- 0 0 45 80,-0.0 -2,-0.1 5,-0.0 2,-0.0 -0.961 97.9 -70.9-175.5 169.7 36.1 0.1 1.9 10 10 A A > - 0 0 57 -2,-0.3 3,-1.6 1,-0.1 4,-0.2 -0.339 47.6-109.6 -72.4 158.7 32.3 -0.3 1.9 11 11 A Y T 3 S+ 0 0 56 1,-0.3 3,-0.3 2,-0.1 12,-0.2 0.669 119.8 45.9 -63.6 -18.1 30.2 2.0 4.0 12 12 A D T > S+ 0 0 82 1,-0.1 3,-1.6 2,-0.1 -1,-0.3 0.328 81.2 102.9-106.7 7.5 29.4 -0.8 6.5 13 13 A A T < S+ 0 0 40 -3,-1.6 77,-0.3 1,-0.3 -1,-0.1 0.610 79.3 52.6 -66.2 -13.7 33.0 -2.0 6.8 14 14 A L T >> S+ 0 0 2 -3,-0.3 3,-1.8 4,-0.2 4,-1.7 0.376 89.9 155.8-104.8 3.8 33.4 -0.4 10.2 15 15 A E T <4 + 0 0 72 -3,-1.6 4,-0.1 1,-0.3 75,-0.0 -0.385 53.2 28.0 -65.7 151.4 30.3 -1.9 11.8 16 16 A P T 34 S+ 0 0 81 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.914 128.1 44.7 -92.3 20.1 29.6 -2.5 14.6 17 17 A H T <4 S+ 0 0 33 -3,-1.8 2,-0.5 1,-0.3 -2,-0.2 0.956 120.6 27.1 -85.5 -58.4 31.8 0.4 15.7 18 18 A F S < S- 0 0 10 -4,-1.7 -1,-0.3 169,-0.1 -4,-0.2 -0.939 93.3-118.3-107.4 126.8 31.0 3.2 13.3 19 19 A D > - 0 0 21 -2,-0.5 4,-2.1 -3,-0.1 5,-0.1 -0.343 8.5-131.6 -69.5 143.0 27.5 3.0 11.8 20 20 A K H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.862 103.7 57.3 -57.3 -43.5 26.9 2.6 8.0 21 21 A Q H > S+ 0 0 111 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.932 109.1 44.4 -58.0 -48.5 24.3 5.4 7.8 22 22 A T H > S+ 0 0 6 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.928 110.3 55.2 -63.5 -44.4 26.7 8.0 9.2 23 23 A M H X S+ 0 0 5 -4,-2.1 4,-2.0 -12,-0.2 5,-0.2 0.919 110.6 46.4 -53.6 -46.0 29.6 6.8 7.1 24 24 A E H X S+ 0 0 89 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.920 117.4 40.6 -64.0 -47.5 27.5 7.3 4.0 25 25 A I H X>S+ 0 0 22 -4,-2.2 4,-2.0 1,-0.2 5,-1.8 0.917 113.9 53.7 -67.6 -45.0 26.1 10.8 4.9 26 26 A H H <>S+ 0 0 3 -4,-3.4 5,-2.4 -5,-0.2 -2,-0.2 0.885 119.2 35.0 -57.1 -40.9 29.5 11.9 6.2 27 27 A H H <>S+ 0 0 6 -4,-2.0 5,-1.0 -5,-0.3 -2,-0.2 0.969 124.3 35.5 -80.0 -59.4 31.2 10.9 2.9 28 28 A T H <5S+ 0 0 51 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.647 133.1 22.9 -74.2 -17.2 28.7 11.7 0.2 29 29 A K T X5S+ 0 0 104 -4,-2.0 4,-2.0 -5,-0.3 -3,-0.2 0.773 126.9 34.9-111.7 -64.4 27.2 14.8 1.8 30 30 A A H >< S+ 0 0 8 -4,-1.6 3,-0.7 1,-0.2 -1,-0.2 0.810 111.6 53.5 -73.2 -30.6 36.5 29.4 -4.8 42 42 A L H >< S+ 0 0 4 -4,-1.6 3,-2.0 1,-0.2 7,-0.3 0.612 81.8 89.8 -80.7 -12.0 39.4 28.0 -6.7 43 43 A E T 3< S+ 0 0 154 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.1 0.837 93.5 43.4 -52.2 -34.4 37.8 28.6 -10.1 44 44 A S T < S+ 0 0 74 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.432 103.5 69.0 -93.8 0.4 39.4 32.1 -10.1 45 45 A L X> + 0 0 7 -3,-2.0 4,-2.9 1,-0.2 3,-2.1 -0.624 51.5 167.6-121.3 74.5 42.8 31.0 -8.8 46 46 A P T 34 S+ 0 0 82 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.816 77.6 58.5 -52.4 -36.6 44.5 29.0 -11.7 47 47 A E T 34 S+ 0 0 122 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.574 117.8 30.6 -74.3 -9.2 47.8 29.2 -9.9 48 48 A F T X4 S+ 0 0 22 -3,-2.1 3,-1.9 -6,-0.2 -1,-0.2 0.662 100.7 76.6-116.7 -31.1 46.4 27.5 -6.8 49 49 A A T 3< S+ 0 0 20 -4,-2.9 -2,-0.1 -7,-0.3 -7,-0.1 0.608 94.7 55.9 -58.7 -12.0 43.7 25.2 -8.2 50 50 A N T 3 S+ 0 0 139 -4,-0.4 -1,-0.3 -5,-0.2 -2,-0.1 0.607 84.2 100.5 -97.2 -13.9 46.5 22.9 -9.4 51 51 A L S < S- 0 0 31 -3,-1.9 -3,-0.0 1,-0.1 5,-0.0 -0.405 84.1-103.4 -73.6 146.0 48.2 22.3 -6.1 52 52 A P >> - 0 0 73 0, 0.0 4,-2.2 0, 0.0 3,-1.2 -0.404 36.0-115.8 -63.4 148.7 47.4 19.1 -4.1 53 53 A V H 3> S+ 0 0 6 1,-0.3 4,-1.9 2,-0.2 26,-0.1 0.875 114.3 57.1 -57.5 -38.9 45.1 20.0 -1.2 54 54 A E H 34 S+ 0 0 93 1,-0.2 -1,-0.3 2,-0.2 4,-0.0 0.770 111.3 44.8 -63.0 -25.3 47.6 19.1 1.5 55 55 A E H X4 S+ 0 0 78 -3,-1.2 3,-1.6 2,-0.1 4,-0.4 0.852 106.2 59.0 -86.2 -37.8 50.0 21.6 -0.1 56 56 A L H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.3 -2,-0.2 0.897 100.1 56.9 -58.0 -41.8 47.4 24.3 -0.6 57 57 A I T 3< S+ 0 0 0 -4,-1.9 3,-0.3 1,-0.3 -1,-0.3 0.511 99.7 59.3 -71.5 -2.9 46.6 24.5 3.1 58 58 A T T < S+ 0 0 75 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.481 107.0 48.9 -98.0 -5.9 50.3 25.2 3.9 59 59 A K X + 0 0 60 -3,-1.8 3,-1.5 -4,-0.4 4,-0.2 -0.038 66.0 126.1-122.6 31.6 50.1 28.3 1.8 60 60 A L G > S+ 0 0 1 -3,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.855 71.0 60.8 -58.2 -37.1 46.9 30.0 3.0 61 61 A D G 3 S+ 0 0 111 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.667 96.5 61.0 -65.8 -16.8 48.8 33.3 3.7 62 62 A Q G < S+ 0 0 126 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.445 88.6 96.5 -88.9 -0.3 49.7 33.5 -0.0 63 63 A L S < S- 0 0 14 -3,-1.7 5,-0.1 -4,-0.2 -3,-0.0 -0.524 90.4 -87.7 -90.0 155.8 46.0 33.7 -1.0 64 64 A P >> - 0 0 56 0, 0.0 3,-2.9 0, 0.0 4,-1.7 -0.340 42.9-113.5 -59.5 142.4 43.9 36.8 -1.7 65 65 A A H 3> S+ 0 0 95 1,-0.3 4,-0.5 2,-0.2 -2,-0.1 0.809 116.5 54.4 -46.8 -38.2 42.4 38.2 1.6 66 66 A D H 34 S+ 0 0 121 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.431 112.7 43.0 -80.2 1.4 38.9 37.4 0.4 67 67 A K H <> S+ 0 0 44 -3,-2.9 4,-2.3 -7,-0.1 5,-0.3 0.630 90.0 83.7-115.9 -24.6 39.8 33.7 -0.3 68 68 A K H X S+ 0 0 65 -4,-1.7 4,-2.2 1,-0.2 5,-0.2 0.890 95.0 42.4 -47.1 -53.4 41.9 32.8 2.7 69 69 A T H X S+ 0 0 89 -4,-0.5 4,-2.5 2,-0.2 5,-0.2 0.935 112.9 50.2 -64.4 -49.6 38.9 32.0 5.0 70 70 A V H > S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.887 117.3 41.4 -58.8 -39.4 36.8 30.1 2.5 71 71 A L H X>S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-1.1 0.842 109.8 57.4 -78.1 -33.0 39.7 27.9 1.5 72 72 A R H X5S+ 0 0 72 -4,-2.2 4,-0.6 -5,-0.3 -2,-0.2 0.950 116.0 37.7 -58.9 -48.0 41.0 27.5 5.1 73 73 A N H X5S+ 0 0 24 -4,-2.5 4,-1.5 3,-0.2 -2,-0.2 0.915 128.5 30.7 -70.5 -46.7 37.5 26.0 6.0 74 74 A N H X5S+ 0 0 13 -4,-2.4 4,-2.2 -5,-0.2 -3,-0.2 0.874 122.6 43.8 -86.1 -39.9 36.8 24.0 2.8 75 75 A A H X5S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.3 5,-0.2 0.872 117.0 51.6 -71.1 -33.7 40.3 23.0 1.7 76 76 A G H X< S+ 0 0 5 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.915 103.5 50.9 -57.4 -49.7 40.3 10.4 8.1 85 85 A W H >< S+ 0 0 5 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.912 112.4 47.0 -57.9 -43.6 38.9 7.9 5.6 86 86 A K H 3< S+ 0 0 126 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.715 104.8 63.0 -71.5 -19.6 42.3 6.3 5.1 87 87 A G T << S+ 0 0 13 -4,-1.2 106,-3.1 -3,-0.6 2,-0.4 0.316 90.4 83.3 -88.8 10.0 43.0 6.3 8.8 88 88 A L B < +A 192 0A 2 -3,-1.2 104,-0.2 104,-0.3 2,-0.2 -0.934 46.0 129.0-118.6 139.0 40.1 3.9 9.5 89 89 A K > - 0 0 106 102,-3.1 3,-0.5 -2,-0.4 105,-0.2 -0.784 44.5-121.9 178.4 136.7 40.1 0.1 9.3 90 90 A K T 3 S+ 0 0 89 -77,-0.3 101,-0.1 -2,-0.2 100,-0.1 -0.511 86.0 31.7 -85.5 156.0 39.1 -2.9 11.5 91 91 A G T 3 S+ 0 0 79 99,-0.5 -1,-0.2 1,-0.2 2,-0.1 0.538 79.6 129.7 80.7 8.9 41.5 -5.6 12.5 92 92 A T < - 0 0 25 -3,-0.5 2,-0.4 100,-0.2 -1,-0.2 -0.486 42.6-146.5 -91.8 167.1 44.8 -3.8 12.7 93 93 A T - 0 0 82 -2,-0.1 2,-0.3 100,-0.0 100,-0.0 -0.996 17.3-119.4-138.5 132.9 47.3 -3.9 15.6 94 94 A L + 0 0 30 -2,-0.4 2,-0.3 4,-0.1 101,-0.1 -0.525 59.5 127.1 -67.6 127.1 49.6 -1.2 17.0 95 95 A Q >> + 0 0 114 -2,-0.3 4,-0.9 99,-0.1 3,-0.6 -0.944 31.0 38.0-165.3-178.0 53.2 -2.5 16.7 96 96 A G H 3> S- 0 0 52 -2,-0.3 4,-1.9 1,-0.2 3,-0.2 -0.188 111.5 -16.7 64.5-152.1 56.7 -1.9 15.5 97 97 A D H 3> S+ 0 0 132 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.844 133.8 57.2 -57.0 -40.2 58.4 1.4 15.6 98 98 A L H <> S+ 0 0 3 -3,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.928 107.6 47.7 -59.7 -45.7 55.2 3.5 16.0 99 99 A K H X S+ 0 0 83 -4,-0.9 4,-2.5 1,-0.2 5,-0.2 0.910 112.6 49.3 -61.6 -42.4 54.4 1.6 19.2 100 100 A A H X S+ 0 0 53 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.909 110.4 50.6 -63.3 -42.7 57.9 2.0 20.5 101 101 A A H X S+ 0 0 5 -4,-2.8 4,-2.6 2,-0.2 37,-0.2 0.882 110.8 49.7 -63.1 -38.8 57.8 5.8 19.7 102 102 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.939 111.6 46.2 -66.4 -48.2 54.5 6.1 21.6 103 103 A E H X S+ 0 0 87 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.860 114.0 52.8 -62.8 -32.7 55.7 4.2 24.7 104 104 A R H < S+ 0 0 145 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.935 118.5 31.8 -68.2 -47.9 58.8 6.4 24.5 105 105 A D H < S+ 0 0 47 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.676 133.7 29.5 -86.0 -18.2 57.0 9.8 24.3 106 106 A F H < S- 0 0 36 -4,-2.6 2,-0.2 -5,-0.2 -3,-0.2 0.432 100.0-120.1-120.1 -2.7 53.9 8.9 26.4 107 107 A G S < S+ 0 0 56 -4,-1.5 2,-0.3 -5,-0.3 -4,-0.2 -0.117 85.5 2.0 90.0 -39.6 55.4 6.2 28.8 108 108 A S S > S- 0 0 32 -6,-0.3 4,-2.0 -2,-0.2 5,-0.1 -0.975 77.0 -99.9-169.1 165.9 52.9 3.6 27.5 109 109 A V H > S+ 0 0 32 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.874 120.9 54.1 -62.8 -37.6 50.1 3.0 25.1 110 110 A D H > S+ 0 0 117 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.887 106.2 50.1 -65.9 -40.1 47.5 3.5 27.8 111 111 A N H > S+ 0 0 80 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.939 111.3 50.6 -62.8 -45.1 48.9 6.9 28.8 112 112 A F H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.936 110.1 48.6 -56.4 -50.8 48.8 7.9 25.1 113 113 A K H X S+ 0 0 63 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.900 111.4 50.3 -57.4 -42.6 45.2 6.8 24.8 114 114 A A H X S+ 0 0 52 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.916 112.7 46.5 -62.6 -43.8 44.2 8.7 28.0 115 115 A E H X S+ 0 0 80 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.900 113.6 48.2 -65.8 -40.9 45.9 11.8 26.7 116 116 A F H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.929 111.5 49.5 -65.5 -45.5 44.3 11.5 23.2 117 117 A E H X S+ 0 0 57 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.876 109.6 52.7 -61.0 -38.7 40.8 10.9 24.7 118 118 A K H X S+ 0 0 117 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.916 111.1 45.8 -63.9 -44.4 41.3 14.0 27.0 119 119 A A H X S+ 0 0 16 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.907 114.7 48.0 -65.4 -41.9 42.1 16.2 24.0 120 120 A A H < S+ 0 0 0 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.865 115.7 43.8 -67.0 -37.7 39.3 14.8 21.9 121 121 A A H < S+ 0 0 53 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.816 111.4 53.4 -78.5 -30.9 36.8 15.2 24.8 122 122 A S H < S+ 0 0 85 -4,-2.2 2,-1.0 -5,-0.2 -1,-0.2 0.520 76.5 108.7 -83.9 -5.6 37.9 18.7 25.8 123 123 A R < - 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0 0 20 -2,-0.5 4,-2.1 -3,-0.1 5,-0.1 -0.355 8.6-132.0 -70.2 143.4 11.3 16.9 16.1 226 20 B K H > S+ 0 0 73 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.868 104.2 57.1 -59.1 -42.8 10.4 15.6 19.5 227 21 B Q H > S+ 0 0 114 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.932 109.3 44.7 -57.4 -48.5 13.4 13.3 19.9 228 22 B T H > S+ 0 0 7 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.929 110.6 54.5 -62.2 -45.8 15.8 16.2 19.3 229 23 B M H X S+ 0 0 4 -4,-2.1 4,-2.0 -12,-0.2 5,-0.2 0.918 110.7 46.7 -54.1 -46.1 13.9 18.5 21.7 230 24 B E H X S+ 0 0 90 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.923 117.3 40.3 -63.3 -49.0 14.1 15.9 24.4 231 25 B I H X>S+ 0 0 24 -4,-2.2 4,-2.0 1,-0.2 5,-1.7 0.918 113.9 54.1 -66.6 -44.9 17.9 15.1 24.0 232 26 B H H <>S+ 0 0 4 -4,-3.3 5,-2.3 -5,-0.2 -2,-0.2 0.884 119.1 34.5 -57.2 -41.2 18.8 18.7 23.5 233 27 B H H <>S+ 0 0 7 -4,-2.0 5,-1.0 -5,-0.3 -2,-0.2 0.966 124.5 36.1 -80.1 -58.5 17.1 19.7 26.7 234 28 B T H <5S+ 0 0 46 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.662 132.8 22.9 -73.9 -18.9 17.6 16.8 29.1 235 29 B K T X5S+ 0 0 107 -4,-2.0 4,-2.0 -5,-0.3 -3,-0.2 0.782 127.2 34.4-110.9 -63.2 21.1 15.9 27.9 236 30 B A H >< S+ 0 0 59 -4,-2.5 3,-0.8 1,-0.2 4,-0.3 0.916 109.7 48.9 -62.7 -42.1 30.7 22.8 39.3 247 41 B A H 3< S+ 0 0 7 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.726 111.4 49.7 -70.5 -22.3 32.9 25.7 38.2 248 42 B L H >< S+ 0 0 7 -4,-1.2 3,-1.6 -3,-0.2 7,-0.2 0.471 80.0 101.1 -95.1 -3.0 31.0 28.1 40.5 249 43 B E T << S+ 0 0 168 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.1 0.861 91.5 34.1 -48.2 -45.1 31.3 25.9 43.6 250 44 B S T 3 S+ 0 0 80 -4,-0.3 -1,-0.3 -3,-0.3 3,-0.2 0.354 105.1 77.2 -96.1 5.0 34.1 27.9 45.1 251 45 B L X> + 0 0 14 -3,-1.6 4,-2.5 1,-0.2 3,-0.7 -0.627 46.5 163.8-117.4 74.2 33.0 31.3 43.8 252 46 B P H 3> S+ 0 0 79 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.824 74.2 63.0 -56.2 -35.9 30.1 32.5 46.1 253 47 B E H 34 S+ 0 0 121 1,-0.2 4,-0.2 2,-0.2 3,-0.1 0.891 116.1 28.2 -58.8 -42.0 30.5 36.1 44.8 254 48 B F H X4 S+ 0 0 26 -3,-0.7 3,-1.1 1,-0.1 -1,-0.2 0.738 107.2 74.0 -91.4 -27.1 29.6 35.1 41.3 255 49 B A H 3< S+ 0 0 23 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.1 0.768 92.9 56.1 -58.5 -28.1 27.4 32.1 42.1 256 50 B N T 3< S+ 0 0 138 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.1 0.700 87.6 94.9 -79.9 -20.5 24.6 34.4 43.3 257 51 B L S < S- 0 0 38 -3,-1.1 2,-0.0 -4,-0.2 -3,-0.0 -0.353 85.6-103.6 -72.8 150.7 24.2 36.4 40.1 258 52 B P >> - 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0 0 54 0, 0.0 3,-3.4 0, 0.0 4,-1.3 -0.372 44.6-112.2 -60.5 134.8 40.0 34.1 37.8 271 65 B A H 3> S+ 0 0 89 1,-0.3 4,-0.6 2,-0.2 3,-0.3 0.759 115.4 53.5 -34.0 -47.2 41.9 33.2 34.7 272 66 B D H 34 S+ 0 0 129 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.423 113.0 44.2 -76.2 1.9 41.5 29.4 35.2 273 67 B K H <> S+ 0 0 44 -3,-3.4 4,-2.1 -7,-0.1 5,-0.3 0.590 91.0 82.7-116.6 -21.2 37.7 29.8 35.4 274 68 B K H X S+ 0 0 62 -4,-1.3 4,-2.2 -3,-0.3 5,-0.2 0.905 94.2 42.1 -52.7 -52.7 37.0 32.2 32.6 275 69 B T H X S+ 0 0 89 -4,-0.6 4,-2.5 2,-0.2 5,-0.2 0.934 113.1 50.3 -66.0 -47.6 36.9 29.7 29.7 276 70 B V H > S+ 0 0 50 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.897 117.2 41.7 -58.7 -40.3 34.9 26.9 31.5 277 71 B L H X>S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-1.1 0.849 109.9 57.0 -76.5 -34.4 32.2 29.4 32.5 278 72 B R H X5S+ 0 0 69 -4,-2.2 4,-0.6 -5,-0.3 -2,-0.2 0.953 115.8 38.4 -59.5 -47.1 32.3 31.2 29.2 279 73 B N H X5S+ 0 0 24 -4,-2.5 4,-1.5 3,-0.2 -2,-0.2 0.922 128.5 29.9 -70.2 -46.6 31.5 27.9 27.5 280 74 B N H X5S+ 0 0 11 -4,-2.5 4,-2.3 -5,-0.2 -36,-0.2 0.871 122.5 44.4 -87.0 -39.0 29.1 26.5 30.0 281 75 B A H X5S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.868 117.0 51.6 -70.8 -33.5 27.4 29.5 31.6 282 76 B G H X< S+ 0 0 3 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.912 103.1 51.0 -57.0 -49.8 16.1 29.5 23.1 291 85 B W H >< S+ 0 0 4 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.910 112.5 46.6 -57.2 -44.7 13.4 27.4 24.8 292 86 B K H 3< S+ 0 0 134 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.703 104.7 63.1 -71.7 -18.8 11.4 30.5 25.6 293 87 B G T << S+ 0 0 15 -4,-1.2 106,-3.2 -3,-0.6 2,-0.4 0.298 90.4 83.7 -89.8 10.9 11.8 31.8 22.1 294 88 B L B < +D 398 0C 2 -3,-1.2 104,-0.2 104,-0.3 2,-0.2 -0.936 46.1 127.9-119.0 138.6 10.0 28.9 20.5 295 89 B K > - 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0 0 5 -3,-2.8 -4,-0.1 9,-0.1 -19,-0.1 -0.385 39.8-155.1 -70.9 153.3 29.4 32.8 23.0 354 148 B S > - 0 0 2 -91,-0.1 3,-2.5 4,-0.1 4,-0.3 -0.966 27.3-123.6-131.4 146.4 26.6 35.4 23.5 355 149 B P G > S+ 0 0 2 0, 0.0 3,-1.6 0, 0.0 11,-0.5 0.791 110.7 70.7 -57.2 -25.3 26.4 39.0 22.3 356 150 B L G 3 S+ 0 0 46 1,-0.3 3,-0.1 9,-0.2 9,-0.1 0.669 85.9 66.9 -65.6 -16.1 25.9 39.8 26.1 357 151 B M G < S- 0 0 13 -3,-2.5 -1,-0.3 1,-0.2 4,-0.2 0.666 111.3-114.0 -79.1 -17.1 29.5 38.9 26.6 358 152 B G <>> - 0 0 26 -3,-1.6 4,-2.5 -4,-0.3 6,-0.6 -0.108 24.3 -81.4 101.7 159.0 30.7 41.9 24.6 359 153 B E H >5S+ 0 0 117 4,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.864 121.3 62.3 -67.0 -37.2 32.6 42.4 21.4 360 154 B A H 45S+ 0 0 102 2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.862 118.8 27.5 -57.6 -36.1 36.0 41.8 22.8 361 155 B I H 45S+ 0 0 21 -3,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.917 136.9 22.6 -92.0 -53.4 35.0 38.3 23.8 362 156 B S H <5S- 0 0 14 -4,-2.5 -12,-0.3 2,-0.4 -3,-0.2 0.608 94.6-122.4 -93.0 -13.1 32.3 37.1 21.3 363 157 B G S < S- 0 0 8 -42,-0.3 3,-1.7 -43,-0.2 4,-0.3 -0.491 72.6-117.2 -68.2 147.8 25.2 23.6 16.5 376 170 B E G >> S+ 0 0 16 1,-0.3 4,-2.7 2,-0.2 3,-1.7 0.828 111.4 67.8 -60.3 -31.5 24.7 20.3 14.5 377 171 B H G 34 S+ 0 0 2 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.727 93.1 62.6 -61.8 -17.5 23.1 18.6 17.5 378 172 B A G <4 S+ 0 0 6 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.664 125.1 6.7 -81.9 -15.0 20.1 21.0 17.0 379 173 B Y T <>>S+ 0 0 7 -3,-1.7 4,-2.7 -4,-0.3 5,-0.6 0.462 97.7 96.1-145.6 -2.8 19.2 19.7 13.6 380 174 B Y H X5S+ 0 0 2 -4,-2.7 4,-1.6 3,-0.2 -3,-0.1 0.883 80.2 57.9 -65.1 -41.2 21.2 16.6 12.5 381 175 B L H 45S+ 0 0 25 -4,-0.2 -1,-0.2 -5,-0.2 -4,-0.1 0.901 124.9 20.2 -57.0 -42.3 18.8 13.9 13.5 382 176 B K H 45S+ 0 0 62 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.864 139.5 26.3 -95.8 -41.8 16.1 15.3 11.3 383 177 B F H ><5S- 0 0 10 -4,-2.7 3,-2.5 1,-0.3 -3,-0.2 0.514 80.6-168.2-101.6 -5.2 17.8 17.5 8.7 384 178 B Q T 3< + 0 0 98 -3,-2.5 4,-1.4 1,-0.2 3,-0.6 -0.429 35.7 160.2 -80.0 71.1 20.8 20.4 5.4 387 181 B R H 3> S+ 0 0 25 -2,-2.0 4,-2.6 1,-0.2 5,-0.2 0.863 70.4 62.4 -59.4 -36.7 21.1 23.4 7.8 388 182 B P H 3> S+ 0 0 76 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.897 102.3 49.7 -57.7 -39.3 19.2 25.6 5.3 389 183 B D H <> S+ 0 0 76 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.887 110.5 51.2 -65.0 -38.1 16.1 23.4 5.6 390 184 B Y H X S+ 0 0 2 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.927 108.1 51.1 -63.6 -45.9 16.3 23.6 9.4 391 185 B I H X S+ 0 0 2 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.869 108.5 52.8 -60.6 -37.9 16.6 27.4 9.2 392 186 B K H >< S+ 0 0 115 -4,-1.9 3,-0.9 1,-0.2 4,-0.4 0.918 107.1 50.7 -64.8 -43.6 13.5 27.5 7.0 393 187 B E H >X S+ 0 0 51 -4,-2.0 3,-1.7 1,-0.2 4,-0.5 0.818 97.0 72.1 -63.6 -29.2 11.5 25.5 9.5 394 188 B F H >X S+ 0 0 2 -4,-1.6 3,-1.5 1,-0.3 4,-1.2 0.836 85.3 64.6 -54.7 -37.3 12.6 27.8 12.3 395 189 B W H << S+ 0 0 25 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.762 98.1 56.8 -60.9 -23.3 10.3 30.6 10.9 396 190 B N H <4 S+ 0 0 83 -3,-1.7 -99,-0.5 -4,-0.4 -1,-0.3 0.685 116.1 33.2 -81.7 -17.8 7.3 28.4 11.8 397 191 B V H << S+ 0 0 0 -3,-1.5 -102,-3.2 -4,-0.5 2,-0.3 0.393 80.2 122.4-119.9 2.7 8.3 28.1 15.4 398 192 B V B < -D 294 0C 3 -4,-1.2 2,-1.3 -104,-0.2 -104,-0.3 -0.516 63.6-128.6 -68.8 128.8 9.9 31.4 16.4 399 193 B N > + 0 0 16 -106,-3.2 4,-2.1 -2,-0.3 5,-0.1 -0.649 29.1 178.8 -82.1 94.0 8.0 32.9 19.3 400 194 B W H > S+ 0 0 22 -2,-1.3 4,-2.7 -105,-0.2 -1,-0.2 0.791 78.2 60.6 -66.7 -26.9 7.2 36.4 18.1 401 195 B D H > S+ 0 0 78 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.946 108.6 42.7 -64.6 -46.1 5.3 37.2 21.3 402 196 B E H > S+ 0 0 65 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.906 113.7 52.7 -64.8 -41.9 8.4 36.5 23.4 403 197 B A H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.915 110.0 48.1 -60.0 -44.0 10.5 38.4 20.9 404 198 B A H X S+ 0 0 38 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.926 109.9 53.0 -62.7 -44.1 8.1 41.4 21.2 405 199 B A H X S+ 0 0 53 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.914 110.7 45.9 -57.8 -45.4 8.2 41.2 25.0 406 200 B R H X S+ 0 0 58 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.876 110.5 54.0 -66.5 -36.9 12.0 41.3 25.0 407 201 B F H < S+ 0 0 21 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.889 109.5 48.2 -63.8 -39.0 12.0 44.2 22.5 408 202 B A H < S+ 0 0 74 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.883 113.8 46.5 -68.3 -39.5 9.7 46.2 24.7 409 203 B A H < S- 0 0 58 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.892 77.9-171.7 -70.4 -42.0 11.9 45.5 27.8 410 204 B K < 0 0 108 -4,-2.8 -3,-0.1 1,-0.2 -69,-0.1 0.472 360.0 360.0 62.3 -0.1 15.2 46.3 26.1 411 205 B K 0 0 213 -5,-0.2 -1,-0.2 -44,-0.0 -5,-0.1 0.506 360.0 360.0-142.4 360.0 16.9 45.0 29.2 412 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 413 1 C S 0 0 110 0, 0.0 2,-0.3 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 137.3 76.3 31.8 3.5 414 2 C Y - 0 0 20 33,-0.3 2,-0.4 50,-0.0 37,-0.1 -0.746 360.0-148.7 -93.7 144.8 76.1 33.4 6.9 415 3 C T - 0 0 107 -2,-0.3 29,-0.0 36,-0.0 33,-0.0 -0.940 22.2-108.7-119.0 139.8 78.6 36.2 7.6 416 4 C L - 0 0 42 -2,-0.4 2,-0.1 1,-0.1 28,-0.0 -0.485 39.9-131.9 -62.8 117.7 80.1 37.0 11.0 417 5 C P - 0 0 43 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.426 16.0-120.5 -72.8 149.2 78.5 40.3 12.0 418 6 C S - 0 0 107 1,-0.1 0, 0.0 -2,-0.1 0, 0.0 -0.568 35.9 -98.6 -83.5 154.6 80.8 43.1 13.2 419 7 C L - 0 0 22 -2,-0.2 -1,-0.1 2,-0.1 4,-0.1 -0.433 19.3-130.6 -72.9 146.9 80.1 44.3 16.8 420 8 C P S S+ 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.184 89.9 24.5 -83.3 21.5 78.1 47.5 17.2 421 9 C Y S S- 0 0 47 80,-0.0 -2,-0.1 5,-0.0 5,-0.0 -0.975 97.9 -72.8-169.9 167.5 80.8 48.8 19.5 422 10 C A > - 0 0 57 -2,-0.3 3,-2.0 1,-0.1 4,-0.2 -0.331 49.0-110.3 -68.0 154.9 84.5 48.6 20.4 423 11 C Y T 3 S+ 0 0 62 1,-0.3 3,-0.3 2,-0.1 12,-0.2 0.724 120.0 46.8 -60.3 -22.0 85.6 45.4 22.2 424 12 C D T > S+ 0 0 92 1,-0.2 3,-1.5 2,-0.1 -1,-0.3 0.271 79.9 104.3-103.4 10.9 86.2 47.5 25.4 425 13 C A T < S+ 0 0 38 -3,-2.0 77,-0.3 1,-0.3 -1,-0.2 0.633 79.0 52.7 -67.1 -14.6 82.9 49.3 25.2 426 14 C L T >> S+ 0 0 2 -3,-0.3 3,-1.8 4,-0.2 4,-1.6 0.387 90.4 156.9-103.3 3.1 81.4 47.2 28.0 427 15 C E T <4 + 0 0 70 -3,-1.5 4,-0.1 1,-0.3 75,-0.0 -0.366 53.5 26.4 -65.4 151.4 84.2 47.8 30.5 428 16 C P T 34 S+ 0 0 86 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.912 128.0 45.8 -92.8 20.2 84.4 47.6 33.4 429 17 C H T <4 S+ 0 0 33 -3,-1.8 2,-0.5 1,-0.3 -2,-0.2 0.959 120.3 26.4 -83.7 -59.7 81.5 45.1 33.4 430 18 C F S < S- 0 0 10 -4,-1.6 -1,-0.3 169,-0.1 -4,-0.2 -0.934 93.0-118.0-107.5 128.0 82.5 42.7 30.6 431 19 C D > - 0 0 22 -2,-0.5 4,-2.1 -3,-0.1 5,-0.1 -0.352 8.7-132.2 -69.5 142.7 86.2 42.4 29.9 432 20 C K H > S+ 0 0 100 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.865 103.8 57.5 -59.0 -42.3 87.7 43.3 26.5 433 21 C Q H > S+ 0 0 115 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.936 109.3 44.4 -57.9 -48.2 89.7 40.2 26.2 434 22 C T H > S+ 0 0 4 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.934 110.5 55.0 -62.8 -45.4 86.7 37.9 26.5 435 23 C M H X S+ 0 0 4 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.916 110.8 46.3 -53.5 -45.5 84.6 40.1 24.1 436 24 C E H X S+ 0 0 85 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.919 117.4 40.4 -65.0 -47.1 87.3 39.7 21.5 437 25 C I H X>S+ 0 0 16 -4,-2.2 4,-2.0 1,-0.2 5,-1.7 0.917 114.1 54.1 -67.6 -44.4 87.8 35.9 21.8 438 26 C H H <>S+ 0 0 4 -4,-3.4 5,-2.4 -5,-0.2 -2,-0.2 0.886 119.2 34.3 -56.7 -41.9 84.1 35.3 22.2 439 27 C H H <>S+ 0 0 10 -4,-2.0 5,-1.0 -5,-0.3 -2,-0.2 0.967 124.6 36.1 -80.7 -57.4 83.4 37.2 19.0 440 28 C T H <5S+ 0 0 47 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.661 133.0 22.8 -74.4 -18.5 86.4 36.4 16.7 441 29 C K T X5S+ 0 0 103 -4,-2.0 4,-2.1 -5,-0.3 -3,-0.2 0.784 127.3 34.6-110.5 -64.9 86.9 32.8 17.8 442 30 C A H >< S+ 0 0 68 -4,-2.3 3,-0.5 1,-0.2 4,-0.4 0.921 110.7 45.4 -56.7 -44.2 80.2 24.1 5.9 453 41 C A H >< S+ 0 0 6 -4,-1.6 3,-0.5 1,-0.2 -1,-0.2 0.776 108.7 57.0 -70.8 -27.5 76.9 22.2 6.5 454 42 C L H >< S+ 0 0 7 -4,-1.7 3,-2.4 1,-0.2 -1,-0.2 0.681 81.9 84.9 -78.9 -17.8 74.9 24.5 4.3 455 43 C E T << S+ 0 0 159 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.1 0.858 95.9 42.8 -52.5 -37.5 77.0 23.9 1.2 456 44 C S T < S+ 0 0 68 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.323 105.7 68.9 -92.1 8.3 75.0 20.8 0.4 457 45 C L X> + 0 0 9 -3,-2.4 3,-1.2 1,-0.1 4,-0.9 -0.514 52.3 164.1-125.7 65.0 71.7 22.5 1.3 458 46 C P H >> S+ 0 0 84 0, 0.0 3,-0.9 0, 0.0 4,-0.6 0.857 73.7 63.0 -46.6 -43.5 71.1 25.1 -1.5 459 47 C E H 34 S+ 0 0 130 1,-0.3 3,-0.2 2,-0.1 4,-0.1 0.849 111.8 33.8 -53.2 -41.8 67.4 25.4 -0.5 460 48 C F H X4 S+ 0 0 22 -3,-1.2 3,-0.5 1,-0.2 -1,-0.3 0.440 93.5 96.0 -97.3 0.1 68.2 26.7 3.0 461 49 C A H << S+ 0 0 21 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.1 0.891 88.8 37.3 -56.9 -49.0 71.3 28.7 2.1 462 50 C N T 3< S+ 0 0 154 -4,-0.6 -1,-0.2 -3,-0.2 -2,-0.1 0.516 90.0 112.3 -85.8 -6.1 69.8 32.2 1.7 463 51 C L S < S- 0 0 43 -3,-0.5 2,-0.0 -4,-0.1 -3,-0.0 -0.409 79.3-103.9 -68.2 141.6 67.3 31.9 4.5 464 52 C P >> - 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0 0 98 102,-3.1 3,-0.5 -2,-0.4 105,-0.2 -0.779 44.6-122.0 177.4 136.2 100.3 11.9 36.0 708 90 D K T 3 S+ 0 0 88 -77,-0.3 101,-0.1 -2,-0.2 100,-0.1 -0.508 86.2 31.6 -85.2 155.6 103.4 12.7 33.9 709 91 D G T 3 S+ 0 0 79 99,-0.5 -1,-0.2 1,-0.2 2,-0.1 0.537 79.3 131.0 81.1 8.3 106.0 10.1 32.9 710 92 D T < - 0 0 25 -3,-0.5 2,-0.4 100,-0.2 -1,-0.2 -0.480 42.3-145.6 -90.6 167.1 103.9 7.0 32.5 711 93 D T - 0 0 88 -2,-0.1 2,-0.3 100,-0.0 100,-0.0 -0.996 16.6-121.3-136.8 131.5 103.9 4.6 29.6 712 94 D L + 0 0 21 -2,-0.4 2,-0.3 4,-0.1 101,-0.1 -0.541 59.5 126.4 -69.2 127.2 101.1 2.6 28.0 713 95 D Q >> + 0 0 116 -2,-0.3 4,-0.9 99,-0.1 3,-0.6 -0.944 30.9 39.1-165.1-177.5 102.1 -1.1 28.2 714 96 D G H 3> S- 0 0 55 -2,-0.3 4,-1.9 1,-0.2 3,-0.2 -0.192 111.3 -17.3 65.1-152.6 101.1 -4.6 29.3 715 97 D D H 3> S+ 0 0 134 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.832 133.9 57.3 -58.5 -37.7 97.7 -6.1 29.1 716 98 D L H <> S+ 0 0 4 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.928 107.6 47.9 -61.3 -44.7 95.9 -2.7 28.7 717 99 D K H X S+ 0 0 85 -4,-0.9 4,-2.5 -3,-0.2 5,-0.2 0.910 112.6 49.2 -61.7 -42.5 98.0 -1.9 25.6 718 100 D A H X S+ 0 0 50 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.910 110.4 50.5 -63.2 -43.1 97.3 -5.3 24.1 719 101 D A H X S+ 0 0 8 -4,-2.7 4,-2.5 2,-0.2 37,-0.2 0.873 110.9 49.5 -63.2 -38.2 93.6 -4.9 24.8 720 102 D I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.4 0.939 111.4 46.7 -67.1 -48.3 93.6 -1.5 23.1 721 103 D E H X S+ 0 0 89 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.866 113.9 52.4 -61.0 -34.7 95.4 -2.8 20.0 722 104 D R H < S+ 0 0 142 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.932 118.3 32.2 -67.6 -48.2 92.9 -5.7 20.0 723 105 D D H < S+ 0 0 37 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.666 133.8 28.9 -86.2 -16.9 89.8 -3.6 20.1 724 106 D F H < S- 0 0 38 -4,-2.6 -3,-0.2 -5,-0.2 2,-0.2 0.423 100.0-120.4-121.7 -2.5 91.0 -0.6 18.2 725 107 D G S < S+ 0 0 56 -4,-1.5 2,-0.3 -5,-0.4 -4,-0.2 -0.098 85.3 3.3 89.5 -37.8 93.6 -2.2 15.9 726 108 D S S > S- 0 0 31 -6,-0.3 4,-2.0 -2,-0.2 5,-0.1 -0.974 76.8-101.1-169.7 164.9 96.3 0.0 17.2 727 109 D V H > S+ 0 0 32 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.876 120.9 54.3 -63.3 -37.6 97.1 2.7 19.8 728 110 D D H > S+ 0 0 125 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.887 106.3 50.3 -64.8 -40.6 96.9 5.4 17.1 729 111 D N H > S+ 0 0 84 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.942 111.3 50.2 -61.2 -47.5 93.4 4.3 16.0 730 112 D F H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.934 110.3 48.7 -55.4 -51.2 92.3 4.4 19.7 731 113 D K H X S+ 0 0 57 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.898 111.4 50.0 -58.2 -42.1 93.7 7.9 20.1 732 114 D A H X S+ 0 0 47 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.920 112.7 47.0 -62.5 -43.7 92.0 9.1 17.0 733 115 D E H X S+ 0 0 95 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.897 113.7 47.8 -65.3 -41.7 88.7 7.6 18.1 734 116 D F H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.929 111.5 49.8 -65.3 -46.4 89.0 9.1 21.6 735 117 D E H X S+ 0 0 37 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.874 109.5 52.6 -60.4 -38.6 89.9 12.6 20.3 736 118 D K H X S+ 0 0 134 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.920 111.0 45.9 -63.9 -44.6 86.9 12.5 17.9 737 119 D A H X S+ 0 0 15 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.907 114.7 48.1 -64.8 -41.7 84.5 11.7 20.8 738 120 D A H < S+ 0 0 0 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.869 115.7 43.8 -66.6 -38.8 86.1 14.3 23.0 739 121 D A H < S+ 0 0 54 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.820 111.2 53.6 -77.4 -31.9 86.0 17.0 20.3 740 122 D S H < S+ 0 0 88 -4,-2.3 2,-1.0 -5,-0.2 -1,-0.2 0.530 76.6 108.7 -82.6 -7.1 82.4 16.1 19.1 741 123 D R < - 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0 0 8 -3,-2.8 -4,-0.1 9,-0.1 -19,-0.1 -0.381 40.2-155.0 -71.4 153.7 76.8 12.2 33.8 766 148 D S > - 0 0 3 -91,-0.1 3,-2.5 4,-0.1 4,-0.3 -0.967 27.5-122.9-131.3 147.5 78.8 9.0 34.1 767 149 D P G > S+ 0 0 3 0, 0.0 3,-1.5 0, 0.0 11,-0.5 0.784 110.9 70.6 -57.6 -25.0 78.7 5.7 32.2 768 150 D L G 3 S+ 0 0 45 1,-0.3 3,-0.1 9,-0.2 9,-0.1 0.674 85.7 67.1 -65.9 -17.0 78.2 4.2 35.7 769 151 D M G < S- 0 0 10 -3,-2.5 -1,-0.3 1,-0.2 4,-0.2 0.662 111.4-113.6 -78.3 -16.1 74.7 5.7 35.8 770 152 D G <>> - 0 0 25 -3,-1.5 4,-2.5 -4,-0.3 6,-0.7 -0.111 24.3 -81.2 101.5 159.4 73.5 3.4 33.0 771 153 D E H >5S+ 0 0 126 4,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.862 121.4 62.0 -67.1 -37.7 72.4 4.0 29.4 772 154 D A H 45S+ 0 0 103 2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.857 118.8 27.4 -57.9 -36.1 68.8 5.0 30.3 773 155 D I H 45S+ 0 0 21 -3,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.915 136.7 23.1 -92.3 -53.2 70.2 8.0 32.2 774 156 D S H <5S- 0 0 13 -4,-2.5 -12,-0.3 2,-0.4 -3,-0.2 0.607 94.8-122.5 -92.2 -14.2 73.6 9.0 30.7 775 157 D G S < S- 0 0 7 -42,-0.3 3,-1.7 -43,-0.2 4,-0.3 -0.496 72.7-117.4 -68.7 148.4 83.9 21.3 30.2 788 170 D E G >> S+ 0 0 15 1,-0.3 4,-2.7 2,-0.2 3,-1.8 0.828 111.0 68.1 -61.8 -30.1 85.3 24.7 29.2 789 171 D H G 34 S+ 0 0 4 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.728 93.0 62.6 -62.6 -16.7 86.5 25.5 32.8 790 172 D A G <4 S+ 0 0 8 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.656 125.1 6.5 -83.2 -13.5 89.0 22.6 32.3 791 173 D Y T <>>S+ 0 0 6 -3,-1.8 4,-2.8 -4,-0.3 5,-0.6 0.466 97.4 97.0-146.5 -2.4 90.9 24.3 29.4 792 174 D Y H X5S+ 0 0 1 -4,-2.7 4,-1.6 3,-0.2 -3,-0.1 0.887 80.4 57.4 -63.4 -42.6 89.7 27.8 28.8 793 175 D L H 45S+ 0 0 30 -4,-0.2 -1,-0.2 -5,-0.2 -4,-0.1 0.893 125.0 20.3 -56.8 -41.7 92.3 29.8 30.7 794 176 D K H 45S+ 0 0 65 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.862 139.4 26.5 -96.3 -42.2 95.2 28.2 28.8 795 177 D F H ><5S- 0 0 12 -4,-2.8 3,-2.5 1,-0.2 -3,-0.2 0.513 80.6-168.7-100.9 -5.8 93.7 27.0 25.5 796 178 D Q T 3< + 0 0 85 -3,-2.5 4,-1.4 1,-0.2 3,-0.5 -0.439 35.5 160.1 -80.2 71.4 91.0 25.4 21.2 799 181 D R H 3> S+ 0 0 25 -2,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.862 70.6 62.7 -59.2 -36.9 89.7 22.2 22.7 800 182 D P H 3> S+ 0 0 77 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.901 102.5 49.2 -56.8 -40.7 91.7 20.1 20.1 801 183 D D H <> S+ 0 0 76 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.887 110.7 51.3 -64.7 -38.4 95.0 21.5 21.5 802 184 D Y H X S+ 0 0 2 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.930 108.2 51.2 -62.0 -47.6 93.8 20.6 25.0 803 185 D I H X S+ 0 0 2 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.867 108.7 52.2 -58.7 -39.1 93.0 17.1 24.0 804 186 D K H >< S+ 0 0 111 -4,-1.9 3,-1.0 1,-0.2 4,-0.4 0.921 107.1 51.1 -65.3 -44.3 96.4 16.7 22.4 805 187 D E H >X S+ 0 0 58 -4,-2.1 3,-1.8 1,-0.2 4,-0.5 0.822 97.0 71.6 -62.1 -30.9 98.2 17.8 25.6 806 188 D F H >X S+ 0 0 0 -4,-1.6 3,-1.4 1,-0.3 4,-1.2 0.830 85.3 64.8 -54.8 -36.1 96.1 15.3 27.6 807 189 D W H << S+ 0 0 29 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.766 97.9 57.2 -61.0 -23.0 98.1 12.4 26.1 808 190 D N H <4 S+ 0 0 84 -3,-1.8 -99,-0.5 -4,-0.4 -1,-0.3 0.697 116.3 32.5 -80.3 -20.2 101.1 13.7 27.9 809 191 D V H << S+ 0 0 0 -3,-1.4 -102,-3.1 -4,-0.5 2,-0.3 0.393 80.1 122.8-119.4 3.6 99.5 13.5 31.3 810 192 D V B < -J 706 0G 2 -4,-1.2 2,-1.3 -104,-0.2 -104,-0.3 -0.513 63.6-128.0 -69.3 129.8 97.1 10.6 31.2 811 193 D N > + 0 0 16 -106,-3.0 4,-2.1 -2,-0.3 5,-0.1 -0.655 29.3 178.8 -82.5 93.0 98.1 8.2 34.0 812 194 D W H > S+ 0 0 18 -2,-1.3 4,-2.6 -105,-0.2 -1,-0.2 0.787 78.3 60.5 -66.0 -26.8 98.5 4.8 32.2 813 195 D D H > S+ 0 0 78 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.946 108.6 42.5 -65.4 -46.1 99.5 3.1 35.5 814 196 D E H > S+ 0 0 60 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.902 113.7 52.9 -65.6 -40.8 96.1 4.0 37.1 815 197 D A H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.915 110.0 48.0 -60.2 -43.9 94.3 3.1 33.8 816 198 D A H X S+ 0 0 35 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.928 110.1 52.8 -62.8 -44.2 96.1 -0.3 33.9 817 199 D A H X S+ 0 0 49 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.907 110.8 45.8 -58.2 -45.0 95.1 -0.8 37.5 818 200 D R H X S+ 0 0 56 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.871 110.6 54.2 -67.2 -36.4 91.5 -0.1 36.8 819 201 D F H < S+ 0 0 24 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.894 109.5 47.9 -63.6 -40.0 91.5 -2.4 33.8 820 202 D A H < S+ 0 0 76 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.882 114.1 46.4 -67.9 -39.7 92.9 -5.2 36.0 821 203 D A H < S- 0 0 58 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.893 79.0-170.4 -70.2 -42.1 90.3 -4.6 38.6 822 204 D K < 0 0 107 -4,-2.7 -3,-0.1 1,-0.2 -69,-0.1 0.487 360.0 360.0 62.4 2.9 87.4 -4.4 36.2 823 205 D K 0 0 218 -5,-0.2 -1,-0.2 -44,-0.0 -5,-0.1 0.431 360.0 360.0-152.1 360.0 85.2 -3.2 39.1