==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-NOV-11 3UT2 . COMPND 2 MOLECULE: CATALASE-PEROXIDASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: MAGNAPORTHE ORYZAE 70-15; . AUTHOR M.ZAMOCKY,M.Q.GARCIA-FERNANDEZ,B.GASSELHUBER,C.JAKOPITSCH, . 1467 2 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51129.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 894 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 56 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 227 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 437 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.1 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 6 2 4 0 2 0 0 7 9 2 3 3 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 11 5 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 50 A T 0 0 125 0, 0.0 737,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.5 49.6 -7.3 -28.6 2 51 A T > + 0 0 121 2,-0.0 3,-1.9 3,-0.0 2,-0.0 0.506 360.0 122.8-107.5 -11.3 50.5 -6.5 -25.0 3 52 A F T 3 S+ 0 0 63 1,-0.3 754,-0.1 3,-0.0 3,-0.1 -0.266 81.5 8.5 -58.7 130.7 47.6 -4.0 -24.4 4 53 A G T 3 S+ 0 0 12 752,-0.7 2,-0.4 1,-0.2 -1,-0.3 0.569 107.9 109.2 77.5 10.7 45.4 -4.9 -21.5 5 54 A R < - 0 0 68 -3,-1.9 2,-0.3 751,-0.1 -1,-0.2 -0.970 64.1-135.9-125.2 130.6 47.7 -7.7 -20.4 6 55 A a - 0 0 19 -2,-0.4 752,-0.0 753,-0.3 -3,-0.0 -0.667 15.6-134.7 -82.7 136.8 49.9 -7.8 -17.4 7 56 A A S S+ 0 0 96 -2,-0.3 2,-0.5 2,-0.1 -1,-0.1 0.899 99.0 57.4 -60.2 -41.0 53.5 -9.1 -18.0 8 57 A V S S- 0 0 81 -3,-0.0 2,-0.9 1,-0.0 -2,-0.1 -0.829 86.8-143.2 -87.8 126.0 53.2 -11.2 -14.9 9 58 A K - 0 0 77 -2,-0.5 -2,-0.1 -4,-0.1 911,-0.1 -0.797 18.0-141.9 -95.4 102.6 50.1 -13.6 -15.2 10 59 A S - 0 0 16 -2,-0.9 1322,-0.2 1,-0.1 6,-0.2 -0.272 15.8-163.8 -64.9 147.3 48.5 -13.9 -11.7 11 60 A N + 0 0 29 1320,-0.4 2,-0.3 4,-0.1 906,-0.2 0.094 68.6 66.2-114.3 20.7 47.1 -17.1 -10.5 12 61 A Q S > S+ 0 0 44 1319,-0.3 3,-1.6 1,-0.1 1325,-0.1 -0.934 90.2 19.6-136.2 159.1 45.0 -15.6 -7.7 13 62 A A T 3 S- 0 0 7 -2,-0.3 753,-0.3 1,-0.3 750,-0.3 0.811 139.4 -31.4 56.8 36.4 42.1 -13.3 -7.1 14 63 A G T 3 S+ 0 0 16 901,-0.7 -1,-0.3 1,-0.3 902,-0.1 0.330 98.9 145.5 102.3 -7.2 40.7 -13.7 -10.6 15 64 A G < + 0 0 16 -3,-1.6 -1,-0.3 900,-0.2 904,-0.2 -0.254 35.5 65.6 -56.5 154.4 44.0 -14.2 -12.4 16 65 A G S S- 0 0 21 -6,-0.2 904,-0.2 901,-0.1 2,-0.1 -0.256 100.0 -46.7 109.6 158.3 43.9 -16.6 -15.4 17 66 A T - 0 0 4 902,-2.0 901,-0.3 904,-0.1 2,-0.2 -0.419 66.2-152.1 -60.5 135.3 42.1 -16.5 -18.7 18 67 A R >> - 0 0 14 -2,-0.1 4,-1.5 899,-0.1 3,-0.8 -0.582 26.2-103.4-113.6 165.9 38.5 -15.5 -18.3 19 68 A S H 3> S+ 0 0 11 1,-0.3 4,-2.3 2,-0.2 3,-0.2 0.902 120.6 54.2 -56.6 -43.0 35.2 -16.0 -20.1 20 69 A H H 34 S+ 0 0 46 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.761 103.9 58.0 -67.4 -22.0 35.2 -12.6 -21.6 21 70 A D H <4 S+ 0 0 22 -3,-0.8 718,-0.6 1,-0.2 -1,-0.2 0.911 111.3 40.2 -70.0 -43.9 38.7 -13.4 -23.0 22 71 A W H < S+ 0 0 34 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.865 133.3 22.7 -70.7 -40.2 37.5 -16.4 -24.9 23 72 A W >< + 0 0 29 -4,-2.3 3,-1.2 -5,-0.2 -1,-0.2 -0.643 69.4 163.6-130.0 72.1 34.2 -14.8 -26.1 24 73 A P T 3 S+ 0 0 23 0, 0.0 717,-0.3 0, 0.0 -1,-0.1 0.648 73.5 57.4 -71.9 -15.8 34.7 -11.1 -26.0 25 74 A b T 3 S+ 0 0 56 715,-0.1 3,-0.1 2,-0.1 -5,-0.1 0.581 80.9 109.6 -88.0 -14.3 31.7 -10.3 -28.2 26 75 A Q S < S- 0 0 36 -3,-1.2 994,-0.1 1,-0.1 715,-0.0 -0.326 84.2 -95.7 -61.0 142.4 29.2 -12.1 -25.9 27 76 A L - 0 0 4 2,-0.0 2,-0.4 1,-0.0 -1,-0.1 -0.363 41.2-149.0 -57.7 134.7 26.8 -9.8 -24.0 28 77 A R - 0 0 80 720,-0.3 3,-0.3 -3,-0.1 -1,-0.0 -0.922 16.1-160.2-113.0 138.4 28.1 -9.0 -20.5 29 78 A L > + 0 0 1 -2,-0.4 3,-2.5 1,-0.2 4,-0.3 0.337 60.4 113.5 -97.5 6.5 25.9 -8.3 -17.4 30 79 A D G > S+ 0 0 89 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.838 70.1 58.0 -43.0 -48.8 28.7 -6.5 -15.5 31 80 A V G 3 S+ 0 0 9 717,-0.3 3,-0.3 -3,-0.3 -1,-0.3 0.626 101.8 55.7 -67.3 -11.1 26.9 -3.1 -15.6 32 81 A L G < S+ 0 0 3 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.358 103.9 56.0 -97.7 3.7 23.8 -4.5 -13.8 33 82 A R S < S+ 0 0 33 -3,-2.0 3,-0.4 -4,-0.3 2,-0.2 0.209 84.4 107.0-120.5 11.8 26.0 -5.8 -10.9 34 83 A Q S S+ 0 0 20 -3,-0.3 144,-0.1 1,-0.2 -3,-0.0 -0.522 73.4 19.9 -85.3 158.9 27.6 -2.5 -9.9 35 84 A F S S+ 0 0 78 1,-0.2 -1,-0.2 -2,-0.2 5,-0.1 0.748 77.8 173.7 61.2 30.0 26.9 -0.3 -6.8 36 85 A Q > - 0 0 20 -3,-0.4 3,-1.6 1,-0.1 4,-0.4 -0.385 41.5-119.0 -72.2 145.2 25.2 -3.2 -4.9 37 86 A P G > S+ 0 0 74 0, 0.0 3,-1.4 0, 0.0 6,-0.3 0.820 110.6 61.9 -53.7 -36.1 24.3 -2.4 -1.3 38 87 A S G 3 S+ 0 0 46 1,-0.3 1310,-0.1 5,-0.1 -2,-0.0 0.752 100.9 54.4 -59.6 -27.3 26.6 -5.1 0.1 39 88 A Q G < S+ 0 0 11 -3,-1.6 -1,-0.3 1310,-0.1 -4,-0.1 0.518 85.9 96.7 -87.5 -7.1 29.6 -3.3 -1.4 40 89 A N X - 0 0 40 -3,-1.4 3,-2.0 -4,-0.4 4,-0.1 -0.768 63.3-156.0 -89.0 112.7 28.7 -0.0 0.3 41 90 A P T 3 S+ 0 0 5 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.720 94.4 57.5 -62.9 -20.7 30.8 0.3 3.6 42 91 A L T 3 S- 0 0 26 1,-0.1 3,-0.1 4,-0.1 -2,-0.0 0.619 117.5-111.1 -81.2 -16.0 28.2 2.6 5.0 43 92 A G X - 0 0 22 -3,-2.0 3,-1.9 -6,-0.3 -1,-0.1 0.198 21.4 -92.0 94.1 144.6 25.4 0.0 4.5 44 93 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.1 -7,-0.1 -6,-0.1 0.725 123.7 59.8 -62.1 -23.5 22.5 -0.1 2.1 45 94 A D T 3 S+ 0 0 150 -3,-0.1 2,-0.3 -8,-0.1 -1,-0.3 0.321 76.0 122.5 -86.4 8.1 20.2 1.6 4.7 46 95 A F < - 0 0 60 -3,-1.9 2,-0.7 1,-0.1 -3,-0.1 -0.588 49.8-156.7 -74.1 128.4 22.5 4.7 4.9 47 96 A D > - 0 0 57 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 -0.889 9.3-173.8-108.2 99.4 20.5 7.9 4.1 48 97 A Y H > S+ 0 0 15 -2,-0.7 4,-2.9 1,-0.2 5,-0.2 0.894 82.7 57.2 -62.5 -40.5 23.0 10.5 2.9 49 98 A A H > S+ 0 0 41 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.921 108.0 47.4 -58.4 -42.4 20.4 13.2 2.7 50 99 A E H > S+ 0 0 142 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.867 112.8 49.8 -64.9 -37.4 19.6 12.8 6.4 51 100 A A H >< S+ 0 0 15 -4,-1.7 3,-0.7 1,-0.2 -2,-0.2 0.911 110.6 48.8 -65.8 -43.5 23.3 12.7 7.2 52 101 A F H >< S+ 0 0 6 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.805 101.7 63.3 -67.8 -31.7 24.0 16.0 5.3 53 102 A Q H 3< S+ 0 0 127 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.760 104.8 47.6 -65.6 -26.3 21.1 17.8 6.9 54 103 A S T << S+ 0 0 65 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.390 88.2 117.6 -92.3 -1.1 22.9 17.4 10.3 55 104 A L S < S- 0 0 18 -3,-1.3 2,-1.9 87,-0.2 3,-0.2 -0.429 74.1-124.2 -66.9 139.8 26.2 18.6 8.9 56 105 A D > + 0 0 101 1,-0.2 4,-2.0 -2,-0.1 3,-0.2 -0.613 41.1 176.6 -82.1 79.3 27.7 21.8 10.3 57 106 A Y H > S+ 0 0 14 -2,-1.9 4,-2.0 1,-0.3 -1,-0.2 0.864 71.8 51.4 -59.3 -46.0 27.8 23.3 6.8 58 107 A E H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.888 109.6 51.7 -61.1 -38.3 29.1 26.7 7.8 59 108 A A H > S+ 0 0 10 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.872 106.0 54.5 -66.6 -38.3 31.9 25.1 9.8 60 109 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.947 109.6 47.4 -57.4 -48.4 33.0 22.9 6.8 61 110 A K H X S+ 0 0 31 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.896 110.5 51.6 -63.5 -41.4 33.3 26.1 4.6 62 111 A K H X S+ 0 0 114 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.928 111.5 48.4 -58.8 -45.1 35.3 27.9 7.3 63 112 A D H X S+ 0 0 34 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.874 110.4 50.2 -66.1 -38.4 37.7 24.9 7.5 64 113 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.951 110.2 50.5 -62.3 -47.7 38.1 24.7 3.7 65 114 A A H X S+ 0 0 22 -4,-2.6 4,-0.6 1,-0.2 -2,-0.2 0.904 111.6 48.3 -57.0 -44.2 38.9 28.4 3.6 66 115 A A H >< S+ 0 0 39 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.908 108.5 54.1 -60.9 -44.3 41.5 27.9 6.4 67 116 A L H >< S+ 0 0 15 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.831 92.9 73.3 -59.9 -34.9 43.0 24.9 4.6 68 117 A M H 3< S+ 0 0 4 -4,-1.9 14,-2.8 1,-0.3 -1,-0.2 0.819 107.5 32.0 -50.8 -38.5 43.5 27.0 1.4 69 118 A T T << S+ 0 0 91 -3,-1.0 2,-0.9 -4,-0.6 -1,-0.3 0.222 93.2 97.6-109.2 15.1 46.4 29.0 2.9 70 119 A E < - 0 0 102 -3,-1.7 2,-0.2 -4,-0.2 -1,-0.1 -0.786 68.1-153.8-101.4 86.1 47.8 26.2 5.2 71 120 A S - 0 0 59 -2,-0.9 2,-0.4 9,-0.1 -2,-0.1 -0.422 1.1-144.5 -71.3 129.2 50.6 25.0 2.9 72 121 A Q B > -A 75 0A 70 3,-0.5 3,-2.1 -2,-0.2 -1,-0.1 -0.807 12.2-133.2 -98.1 134.1 51.7 21.4 3.4 73 122 A D T 3 S+ 0 0 102 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.745 103.1 60.0 -61.4 -28.5 55.4 20.7 3.0 74 123 A W T 3 S+ 0 0 38 1,-0.3 -1,-0.3 229,-0.0 -3,-0.0 0.584 126.4 14.7 -76.8 -11.1 54.8 17.6 0.8 75 124 A W B < S-A 72 0A 15 -3,-2.1 -3,-0.5 228,-0.1 -1,-0.3 -0.406 87.6-151.3-156.7 74.1 52.9 19.7 -1.8 76 125 A P - 0 0 28 0, 0.0 228,-0.3 0, 0.0 2,-0.3 -0.171 22.0-110.8 -58.5 144.9 53.6 23.4 -1.2 77 126 A A > - 0 0 3 1,-0.1 3,-1.8 3,-0.1 2,-0.2 -0.538 26.2-116.0 -79.0 131.7 50.9 25.9 -2.2 78 127 A D G > S- 0 0 19 1,-0.3 3,-2.6 -2,-0.3 5,-0.2 -0.473 101.8 -1.9 -61.5 131.7 51.5 28.2 -5.2 79 128 A F G 3 S- 0 0 45 281,-2.1 -1,-0.3 1,-0.3 282,-0.1 0.718 126.6 -73.0 57.1 21.8 51.4 31.8 -3.9 80 129 A G G < S+ 0 0 37 -3,-1.8 2,-0.4 280,-0.4 -1,-0.3 0.640 116.3 100.9 65.0 18.3 50.7 30.3 -0.5 81 130 A N < - 0 0 29 -3,-2.6 3,-0.5 -12,-0.1 4,-0.3 -0.949 54.8-165.3-144.0 118.3 47.1 29.5 -1.7 82 131 A Y > + 0 0 5 -14,-2.8 4,-2.7 -2,-0.4 5,-0.2 0.316 63.5 109.3 -78.1 6.7 45.7 26.2 -3.0 83 132 A G H > S+ 0 0 0 1,-0.2 4,-2.5 -15,-0.2 -1,-0.2 0.915 77.1 45.5 -55.5 -52.8 42.6 28.0 -4.4 84 133 A G H > S+ 0 0 15 -3,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.919 113.4 50.4 -56.3 -47.4 43.5 27.5 -8.1 85 134 A L H > S+ 0 0 30 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.905 112.1 47.9 -56.6 -43.8 44.4 23.9 -7.5 86 135 A F H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.876 109.5 51.8 -69.2 -36.8 41.0 23.4 -5.8 87 136 A V H X S+ 0 0 8 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.932 111.4 48.4 -64.7 -42.4 39.0 25.1 -8.5 88 137 A R H X S+ 0 0 48 -4,-2.6 4,-3.4 2,-0.2 5,-0.2 0.891 108.8 54.0 -61.8 -41.4 40.7 22.9 -11.0 89 138 A M H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.938 113.8 41.1 -57.7 -48.3 39.9 19.8 -8.9 90 139 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.903 114.4 50.2 -68.5 -48.8 36.2 20.7 -8.8 91 140 A X H X S+ 0 0 66 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.939 113.5 48.6 -61.9 -34.8 36.0 21.8 -12.6 92 141 A H H < S+ 0 0 1 -4,-3.4 4,-0.3 2,-0.2 -2,-0.2 0.888 110.8 50.4 -72.9 -32.0 37.8 18.3 -13.5 93 142 A S H >< S+ 0 0 6 -4,-2.0 3,-0.6 -5,-0.2 12,-0.2 0.955 121.9 32.2 -62.7 -49.6 35.4 16.4 -11.3 94 143 A A H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.743 106.7 77.4 -73.7 -22.6 32.3 18.1 -12.9 95 144 A G T 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.412 73.8 72.8 -80.8 -0.2 34.0 18.4 -16.3 96 145 A T T < S+ 0 0 4 -3,-0.6 -1,-0.3 -4,-0.3 120,-0.1 0.435 70.3 126.6 -87.2 -0.3 33.6 14.8 -17.6 97 146 A Y < - 0 0 12 -3,-1.2 2,-0.5 7,-0.2 7,-0.2 -0.298 42.5-163.1 -67.8 138.2 29.9 15.2 -18.2 98 147 A R > - 0 0 4 5,-2.5 4,-1.5 1,-0.1 5,-0.4 -0.990 9.3-154.1-118.8 125.8 28.4 14.4 -21.6 99 148 A A T 4 S+ 0 0 6 150,-2.4 151,-0.1 -2,-0.5 -1,-0.1 0.812 87.0 60.5 -67.6 -31.3 24.9 15.8 -22.2 100 149 A M T 4 S+ 0 0 52 149,-0.6 -1,-0.2 114,-0.3 115,-0.1 0.946 122.8 17.0 -69.1 -52.3 23.9 13.1 -24.7 101 150 A D T 4 S- 0 0 34 113,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.515 97.8-128.9 -97.5 -4.5 24.2 10.0 -22.6 102 151 A G < + 0 0 0 -4,-1.5 -3,-0.2 1,-0.2 2,-0.1 0.627 61.5 135.9 70.1 14.0 24.2 11.9 -19.2 103 152 A R + 0 0 11 -5,-0.4 -5,-2.5 79,-0.1 -1,-0.2 -0.457 43.2 28.7 -95.2 167.5 27.3 10.1 -18.0 104 153 A G + 0 0 20 -7,-0.2 -7,-0.2 -2,-0.1 3,-0.2 -0.298 65.2 118.3 72.9-166.9 30.3 11.6 -16.3 105 154 A G S S- 0 0 8 -12,-0.2 3,-0.4 -13,-0.2 5,-0.3 -0.331 77.7 -76.3 91.4 177.2 30.1 14.7 -14.1 106 155 A G S > S+ 0 0 0 303,-0.3 3,-1.6 -12,-0.2 -12,-0.2 0.492 97.4 100.3 -89.7 -3.3 30.9 15.1 -10.4 107 156 A G T 3 S+ 0 0 11 1,-0.3 -1,-0.2 -3,-0.2 39,-0.1 0.543 87.5 38.8 -72.6 -10.6 27.8 13.5 -9.0 108 157 A M T 3 S- 0 0 28 -3,-0.4 66,-0.9 38,-0.1 -1,-0.3 0.383 100.9-126.0-111.0 -0.4 29.3 10.1 -8.1 109 158 A G X + 0 0 0 -3,-1.6 3,-1.5 37,-0.1 -2,-0.1 0.797 53.4 156.3 57.7 32.1 32.7 11.4 -6.9 110 159 A Q G > + 0 0 17 -5,-0.3 3,-1.9 1,-0.3 7,-0.4 0.596 48.4 86.8 -70.1 -8.9 34.4 9.1 -9.4 111 160 A Q G 3 S+ 0 0 4 1,-0.3 -1,-0.3 5,-0.1 -2,-0.1 0.777 84.3 61.0 -58.3 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> - 0 0 79 1,-0.2 4,-2.0 -2,-0.1 5,-0.1 -0.879 10.7-176.0-109.7 98.0 16.4 -21.7 1.7 783 97 B Y H > S+ 0 0 17 -2,-0.7 4,-3.0 1,-0.2 5,-0.3 0.903 81.4 56.1 -63.4 -43.5 17.4 -24.5 -0.8 784 98 B A H > S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.917 108.9 47.9 -56.4 -44.9 17.7 -27.2 1.9 785 99 B E H > S+ 0 0 128 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.925 112.4 48.9 -60.6 -46.7 14.2 -26.6 3.0 786 100 B A H >< S+ 0 0 14 -4,-2.0 3,-0.9 1,-0.2 4,-0.4 0.941 112.2 48.3 -57.0 -49.7 12.9 -26.7 -0.6 787 101 B F H >< S+ 0 0 5 -4,-3.0 3,-1.0 1,-0.2 -1,-0.2 0.836 104.5 59.0 -62.7 -37.1 14.8 -30.0 -1.3 788 102 B Q H 3< S+ 0 0 138 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.742 106.5 48.8 -66.0 -23.4 13.5 -31.7 1.8 789 103 B S T << S+ 0 0 69 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.504 90.0 115.1 -88.4 -9.1 10.0 -31.1 0.6 790 104 B L S < S- 0 0 15 -3,-1.0 2,-1.6 -4,-0.4 3,-0.2 -0.323 76.7-122.7 -60.6 142.0 10.9 -32.6 -2.9 791 105 B D > - 0 0 103 1,-0.2 4,-2.0 2,-0.1 3,-0.4 -0.659 39.5-179.6 -83.3 81.0 9.3 -35.8 -4.0 792 106 B Y H > 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116 B L H >< S+ 0 0 15 -4,-2.4 3,-2.0 1,-0.2 -1,-0.2 0.832 91.4 73.2 -57.8 -34.1 13.5 -39.9 -19.6 803 117 B M H 3< S+ 0 0 3 -4,-1.6 14,-2.7 1,-0.3 -1,-0.2 0.824 106.4 33.4 -51.8 -37.0 16.5 -42.2 -20.4 804 118 B T T << S+ 0 0 90 -3,-1.2 2,-0.7 -4,-0.5 -1,-0.3 0.088 93.4 96.5-112.4 22.8 14.5 -44.2 -22.9 805 119 B E < - 0 0 103 -3,-2.0 2,-0.1 -4,-0.1 -1,-0.1 -0.807 67.7-154.0-109.0 84.7 12.3 -41.4 -24.3 806 120 B S - 0 0 62 -2,-0.7 2,-0.4 9,-0.1 -2,-0.1 -0.387 1.0-145.9 -66.0 133.2 14.3 -40.4 -27.4 807 121 B Q B > -O 810 0M 71 3,-0.5 3,-1.8 -2,-0.1 -1,-0.1 -0.868 13.1-132.7-102.0 134.4 13.8 -36.8 -28.5 808 122 B D T 3 S+ 0 0 101 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.757 102.7 60.5 -60.6 -28.5 13.9 -36.2 -32.3 809 123 B W T 3 S+ 0 0 36 1,-0.3 -1,-0.3 229,-0.0 -3,-0.0 0.619 126.5 13.7 -76.9 -14.1 16.3 -33.2 -32.0 810 124 B W B < S-O 807 0M 13 -3,-1.8 -3,-0.5 228,-0.1 -1,-0.3 -0.417 87.5-151.1-157.0 75.1 18.9 -35.3 -30.4 811 125 B P - 0 0 28 0, 0.0 2,-0.4 0, 0.0 228,-0.3 -0.150 21.9-110.1 -56.6 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52.2 -64.3 -38.9 23.9 -38.6 -18.7 822 136 B V H X S+ 0 0 8 -4,-2.5 4,-3.0 -5,-0.2 -2,-0.2 0.944 111.0 48.4 -62.3 -43.6 26.8 -40.4 -16.9 823 137 B R H X S+ 0 0 49 -4,-2.6 4,-3.3 2,-0.2 5,-0.2 0.904 109.3 53.2 -62.1 -42.1 29.2 -38.3 -19.0 824 138 B M H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.943 114.1 41.7 -56.6 -49.2 27.2 -35.1 -18.1 825 139 B A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.929 114.3 49.5 -68.2 -45.8 27.5 -35.9 -14.4 826 140 B X H X S+ 0 0 66 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.921 113.5 48.7 -64.7 -38.5 31.2 -37.0 -14.5 827 141 B H H < S+ 0 0 2 -4,-3.3 4,-0.3 2,-0.2 -2,-0.2 0.884 111.2 50.9 -68.9 -33.0 32.1 -33.7 -16.5 828 142 B S H >< S+ 0 0 5 -4,-2.1 3,-0.6 -5,-0.2 12,-0.2 0.952 121.7 31.0 -61.2 -49.8 30.2 -31.6 -13.9 829 143 B A H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.706 106.8 78.4 -77.1 -21.1 32.0 -33.2 -11.0 830 144 B G T 3< S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.1 0.424 73.5 72.2 -79.4 -2.0 35.2 -33.8 -12.9 831 145 B T T < S+ 0 0 6 -3,-0.6 -1,-0.3 -4,-0.3 120,-0.1 0.456 70.6 127.6 -88.2 -2.2 36.7 -30.3 -12.9 832 146 B Y < - 0 0 13 -3,-1.2 2,-0.5 7,-0.2 7,-0.2 -0.272 42.5-162.4 -63.7 137.5 37.6 -30.5 -9.2 833 147 B R > - 0 0 4 5,-2.5 4,-1.6 1,-0.1 5,-0.4 -0.982 8.3-155.6-119.3 120.5 41.1 -29.8 -8.0 834 148 B A T 4 S+ 0 0 5 150,-2.2 151,-0.1 -2,-0.5 -1,-0.1 0.825 86.7 60.6 -64.2 -33.1 42.0 -31.1 -4.5 835 149 B M T 4 S+ 0 0 56 149,-0.6 -1,-0.2 114,-0.3 115,-0.1 0.960 123.7 15.4 -64.8 -54.9 44.7 -28.6 -3.8 836 150 B D T 4 S- 0 0 31 113,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.499 98.4-129.2 -99.8 -3.5 42.7 -25.3 -4.0 837 151 B G < + 0 0 0 -4,-1.6 -3,-0.2 1,-0.2 2,-0.2 0.659 60.5 135.0 68.1 19.0 39.3 -27.0 -3.8 838 152 B R + 0 0 11 -5,-0.4 -5,-2.5 79,-0.1 -1,-0.2 -0.482 43.4 31.5 -99.9 170.3 37.9 -25.3 -6.8 839 153 B G + 0 0 21 -7,-0.2 3,-0.3 -2,-0.2 -7,-0.2 -0.304 65.5 117.2 73.3-167.8 35.8 -26.9 -9.6 840 154 B G S S- 0 0 9 -12,-0.2 3,-0.4 -13,-0.2 5,-0.3 -0.336 79.1 -76.1 92.9 177.3 33.5 -29.8 -9.0 841 155 B G S > S+ 0 0 0 303,-0.3 3,-1.4 1,-0.2 -12,-0.1 0.446 96.6 102.7 -91.7 -1.7 29.8 -30.1 -9.4 842 156 B G T 3 S+ 0 0 10 1,-0.3 -1,-0.2 -3,-0.3 39,-0.1 0.568 87.6 35.9 -67.5 -16.7 28.8 -28.2 -6.3 843 157 B M T 3 S- 0 0 27 -3,-0.4 66,-0.9 38,-0.1 -1,-0.3 0.352 101.1-124.8-113.1 2.4 27.8 -24.9 -7.9 844 158 B G X + 0 0 0 -3,-1.4 3,-1.5 37,-0.1 -2,-0.1 0.813 53.2 157.2 56.9 33.8 26.3 -26.3 -11.1 845 159 B Q G > + 0 0 19 -5,-0.3 3,-2.0 1,-0.3 7,-0.4 0.562 48.6 86.7 -71.1 -8.8 28.7 -24.2 -13.1 846 160 B Q G 3 S+ 0 0 4 1,-0.3 -1,-0.3 5,-0.1 -2,-0.1 0.783 83.4 61.6 -60.0 -25.8 28.6 -26.4 -16.2 847 161 B R G < S+ 0 0 22 -3,-1.5 -1,-0.3 4,-0.1 2,-0.3 0.478 103.9 56.1 -80.9 -3.2 25.5 -24.3 -17.3 848 162 B F S <> S- 0 0 0 -3,-2.0 4,-2.4 63,-0.1 5,-0.2 -0.782 94.9 -48.5-118.9 166.7 27.6 -21.1 -17.5 849 163 B A T 4 S+ 0 0 3 1,-0.3 64,-0.2 -2,-0.3 -830,-0.1 -0.410 110.7 19.7 -61.7 148.4 30.6 -19.8 -19.3 850 164 B P T >> S+ 0 0 5 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.980 125.6 45.5 -89.0 -12.6 33.3 -21.0 -19.6 851 165 B L G >4 S+ 0 0 10 -6,-0.3 3,-0.9 1,-0.3 -2,-0.2 0.832 104.1 64.4 -64.9 -29.1 32.5 -24.7 -18.8 852 166 B N G 3< S+ 0 0 6 -4,-2.4 -1,-0.3 -7,-0.4 -3,-0.2 0.677 114.2 33.9 -65.2 -15.6 29.4 -24.7 -21.0 853 167 B S G <4 S+ 0 0 4 -3,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.303 81.9 124.7-127.2 5.7 31.7 -24.1 -24.0 854 168 B W X< - 0 0 7 -3,-0.9 3,-1.9 -4,-0.5 4,-0.1 -0.457 70.0-120.1 -60.2 139.9 34.9 -26.0 -23.2 855 169 B P G > S+ 0 0 43 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.868 113.3 59.4 -49.1 -39.4 35.7 -28.5 -26.0 856 170 B D G 3 S+ 0 0 33 100,-1.9 101,-0.1 1,-0.3 -29,-0.0 0.709 102.3 54.9 -68.6 -16.4 35.5 -31.4 -23.6 857 171 B N G X S+ 0 0 1 -3,-1.9 3,-2.1 99,-0.2 4,-0.4 0.246 77.2 148.0-100.5 17.4 31.9 -30.4 -22.8 858 172 B Q T < S+ 0 0 23 -3,-2.0 -5,-0.1 1,-0.3 187,-0.1 -0.228 72.9 5.4 -53.2 131.6 30.9 -30.6 -26.4 859 173 B N T >> S+ 0 0 3 1,-0.1 4,-1.3 185,-0.1 3,-0.7 0.330 94.5 109.8 66.7 1.3 27.2 -31.6 -26.8 860 174 B L H <> + 0 0 0 -3,-2.1 4,-2.8 1,-0.2 5,-0.2 0.682 68.9 71.0 -72.6 -15.8 26.6 -31.6 -23.0 861 175 B D H 3> S+ 0 0 3 -4,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.881 98.5 48.0 -57.6 -39.4 24.5 -28.6 -23.9 862 176 B K H <> S+ 0 0 13 -3,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.916 109.7 52.1 -66.8 -43.8 22.1 -31.2 -25.5 863 177 B A H X S+ 0 0 0 -4,-1.3 4,-1.4 1,-0.2 -2,-0.2 0.937 110.8 46.9 -59.0 -46.0 22.3 -33.3 -22.3 864 178 B R H X S+ 0 0 21 -4,-2.8 4,-0.9 1,-0.2 3,-0.3 0.907 111.2 51.8 -65.2 -38.6 21.4 -30.4 -20.1 865 179 B R H < S+ 0 0 21 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.843 104.5 58.0 -67.7 -31.0 18.5 -29.5 -22.4 866 180 B L H < S+ 0 0 3 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.843 110.7 41.7 -67.8 -33.7 17.2 -33.0 -22.3 867 181 B I H >X S+ 0 0 0 -4,-1.4 4,-1.6 -3,-0.3 3,-1.1 0.525 88.3 93.8 -91.2 -6.7 16.9 -32.9 -18.5 868 182 B W H 3X S+ 0 0 7 -4,-0.9 4,-3.3 -3,-0.3 5,-0.2 0.886 77.0 61.6 -52.3 -41.9 15.4 -29.3 -18.4 869 183 B P H 3> S+ 0 0 68 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.836 103.6 50.6 -57.7 -31.3 11.8 -30.6 -18.4 870 184 B I H <> S+ 0 0 10 -3,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.924 111.3 47.1 -69.2 -44.3 12.5 -32.4 -15.1 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