==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-MAY-05 1ZUQ . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.S.HEARN,J.J.PERRY,D.E.CABELII,J.A.TAINER,H.S.NICK,D.S.SILV . 396 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18527.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 295 74.5 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 9.6 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 . 0 0.0 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 . 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 . 16 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 46.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.5 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 2 1 0 2 2 1 2 1 0 2 0 0 0 0 1 0 1 1 0 0 0 1 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 K 0 0 205 0, 0.0 2,-0.2 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 100.5 19.5 35.8 73.6 2 2 A H - 0 0 26 33,-0.2 2,-0.3 34,-0.1 37,-0.1 -0.575 360.0-160.6 -90.4 149.7 17.1 34.9 76.3 3 3 A S - 0 0 87 -2,-0.2 29,-0.0 36,-0.0 -1,-0.0 -0.936 25.0-107.6-132.6 154.5 13.5 36.1 76.5 4 4 A L - 0 0 50 -2,-0.3 2,-0.3 28,-0.0 28,-0.1 -0.686 38.2-133.7 -80.2 120.8 10.8 36.5 79.2 5 5 A P - 0 0 46 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.586 19.3-114.7 -78.8 134.3 8.1 33.8 78.6 6 6 A D - 0 0 143 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.291 41.0-101.1 -59.7 152.0 4.4 35.0 78.7 7 7 A L - 0 0 25 2,-0.2 -1,-0.1 1,-0.1 4,-0.1 -0.376 21.9-124.1 -72.8 158.0 2.6 33.4 81.6 8 8 A P S S+ 0 0 84 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.468 90.4 20.5 -81.1 -1.1 0.4 30.4 80.8 9 9 A Y S S- 0 0 36 73,-0.0 -2,-0.2 74,-0.0 2,-0.1 -0.930 97.5 -65.0-155.1 176.8 -2.5 32.2 82.4 10 10 A D > - 0 0 118 -2,-0.3 3,-2.7 1,-0.1 4,-0.3 -0.371 48.5-114.2 -69.4 147.1 -4.0 35.6 83.6 11 11 A Y T 3 S+ 0 0 67 1,-0.3 3,-0.4 2,-0.1 12,-0.3 0.792 120.1 42.5 -53.3 -30.6 -2.2 37.4 86.4 12 12 A G T > S+ 0 0 20 1,-0.2 3,-1.4 2,-0.1 -1,-0.3 0.293 85.0 103.3-100.1 11.6 -5.2 36.9 88.6 13 13 A A T < S+ 0 0 25 -3,-2.7 -1,-0.2 1,-0.3 -2,-0.1 0.740 76.8 54.0 -64.5 -26.3 -5.7 33.3 87.5 14 14 A L T >> S+ 0 0 0 -3,-0.4 4,-1.5 -4,-0.3 3,-1.2 0.324 92.4 171.1 -93.5 8.9 -4.2 31.8 90.7 15 15 A E T <4 + 0 0 92 -3,-1.4 4,-0.1 1,-0.3 -3,-0.0 -0.302 53.6 11.5 -61.5 145.5 -6.5 33.7 93.0 16 16 A P T 34 S+ 0 0 84 0, 0.0 -1,-0.3 0, 0.0 3,-0.3 -0.950 124.0 57.1-100.0 13.6 -7.0 33.6 95.8 17 17 A H T <4 S+ 0 0 47 -3,-1.2 2,-0.4 1,-0.3 -2,-0.2 0.892 127.9 12.0 -67.5 -41.5 -4.0 31.3 96.6 18 18 A I S < S- 0 0 4 -4,-1.5 -1,-0.3 161,-0.1 -4,-0.2 -0.971 93.9-129.3-135.4 119.6 -1.5 33.8 95.0 19 19 A N > - 0 0 29 -2,-0.4 4,-2.2 -3,-0.3 3,-0.3 -0.250 17.3-111.9 -74.8 159.1 -3.0 37.2 94.3 20 20 A A H > S+ 0 0 32 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.796 113.0 59.5 -55.1 -36.5 -2.7 39.2 91.1 21 21 A Q H > S+ 0 0 118 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.946 109.4 43.5 -61.7 -47.3 -0.5 41.9 92.5 22 22 A I H > S+ 0 0 2 -3,-0.3 4,-3.4 2,-0.2 5,-0.3 0.981 113.3 50.6 -60.9 -57.3 2.2 39.3 93.3 23 23 A M H X S+ 0 0 2 -4,-2.2 4,-2.1 -12,-0.3 5,-0.2 0.890 112.9 46.5 -49.2 -47.1 1.9 37.4 90.1 24 24 A Q H X S+ 0 0 104 -4,-2.7 4,-1.9 2,-0.2 5,-0.4 0.909 115.6 44.0 -64.0 -45.0 2.2 40.6 88.0 25 25 A L H X>S+ 0 0 65 -4,-2.3 5,-2.0 -5,-0.2 4,-1.8 0.924 113.5 52.5 -63.6 -45.2 5.2 42.0 90.0 26 26 A H H <>S+ 0 0 4 -4,-3.4 5,-2.3 -5,-0.2 -2,-0.2 0.880 118.6 34.5 -60.6 -40.8 6.8 38.6 90.0 27 27 A H H <>S+ 0 0 12 -4,-2.1 5,-1.5 -5,-0.3 -2,-0.2 0.983 124.8 34.9 -78.0 -63.9 6.6 38.2 86.2 28 28 A S H <5S+ 0 0 45 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.676 133.3 22.5 -66.9 -24.3 7.0 41.7 84.7 29 29 A K T X5S+ 0 0 136 -4,-1.8 4,-2.1 -5,-0.4 -3,-0.2 0.808 127.2 34.5-108.6 -63.5 9.5 43.0 87.3 30 30 A H H >X>S+ 0 0 8 -4,-2.7 5,-2.1 1,-0.2 4,-0.7 0.943 111.6 47.3 -57.9 -49.7 35.8 37.5 78.2 49 49 A L H ><5S+ 0 0 14 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.868 109.3 53.3 -60.4 -40.0 36.0 34.0 76.8 50 50 A A H 3<5S+ 0 0 78 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.762 112.6 45.3 -68.1 -25.1 37.0 35.3 73.3 51 51 A K H <<5S- 0 0 155 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.495 109.3-122.1 -96.2 -5.6 39.9 37.2 74.9 52 52 A G T <<5 + 0 0 30 -4,-0.7 2,-1.6 -3,-0.7 -3,-0.2 0.682 56.1 157.0 72.2 17.6 41.0 34.4 77.2 53 53 A D >< + 0 0 73 -5,-2.1 4,-2.0 -6,-0.2 -1,-0.2 -0.580 14.3 175.0 -80.3 85.9 40.4 36.6 80.2 54 54 A V H > S+ 0 0 7 -2,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.838 74.8 58.5 -61.4 -37.1 40.0 34.0 82.9 55 55 A T H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.965 108.1 46.0 -58.6 -50.6 39.8 36.6 85.7 56 56 A A H > S+ 0 0 26 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.894 110.2 53.7 -59.4 -41.6 36.8 38.3 84.0 57 57 A Q H X S+ 0 0 0 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.914 110.7 47.5 -59.2 -42.5 35.1 35.0 83.4 58 58 A I H >< S+ 0 0 4 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.909 109.9 51.7 -64.4 -44.9 35.5 34.2 87.1 59 59 A A H 3< S+ 0 0 55 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.795 107.2 54.5 -61.9 -31.7 34.1 37.6 88.2 60 60 A L H 3X S+ 0 0 27 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.642 85.4 87.3 -79.3 -15.1 31.1 37.1 86.1 61 61 A Q H S+ 0 0 86 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.948 114.2 43.6 -57.7 -43.6 28.0 35.1 90.5 63 63 A A H >>S+ 0 0 36 -4,-0.4 4,-2.9 2,-0.2 5,-0.5 0.882 113.3 51.3 -66.6 -39.5 25.9 37.2 88.1 64 64 A L H X5S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.5 0.928 114.1 43.2 -64.9 -44.8 25.6 34.4 85.6 65 65 A K H X5S+ 0 0 64 -4,-2.7 4,-1.9 3,-0.2 5,-0.3 0.905 117.9 46.1 -67.3 -42.1 24.5 31.9 88.2 66 66 A F H X5S+ 0 0 82 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.959 124.6 29.8 -66.6 -53.1 22.1 34.4 89.8 67 67 A N H X5S+ 0 0 11 -4,-2.9 4,-2.5 2,-0.2 -29,-0.2 0.907 124.1 47.7 -74.4 -44.0 20.5 35.7 86.7 68 68 A G H XX S+ 0 0 15 -4,-2.0 4,-1.1 -5,-0.2 3,-0.7 0.948 110.6 59.9 -62.3 -47.0 9.8 26.3 85.3 77 77 A F H >< S+ 0 0 1 -4,-2.6 3,-0.9 1,-0.2 4,-0.3 0.858 99.1 54.0 -48.3 -49.3 7.8 27.8 88.1 78 78 A W H >< S+ 0 0 4 -4,-2.2 3,-1.0 1,-0.3 -1,-0.2 0.863 109.4 48.9 -57.8 -38.0 5.1 29.4 85.9 79 79 A T H << S+ 0 0 38 -4,-1.0 -1,-0.3 -3,-0.7 109,-0.2 0.655 101.0 64.5 -76.3 -18.6 4.4 26.1 84.3 80 80 A N T << S+ 0 0 0 -4,-1.1 105,-3.0 -3,-0.9 2,-0.3 0.452 98.0 71.5 -82.6 -2.1 4.1 24.3 87.6 81 81 A L B < +A 184 0A 2 -3,-1.0 103,-0.2 103,-0.3 3,-0.1 -0.887 55.9 169.3-119.8 149.3 1.1 26.4 88.4 82 82 A S - 0 0 14 101,-2.9 3,-0.2 -2,-0.3 104,-0.1 -0.992 39.3-136.1-156.1 144.6 -2.5 26.4 87.1 83 83 A P S S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 101,-0.1 0.770 117.8 43.7 -72.8 -20.5 -5.8 27.9 87.9 84 84 A N S S+ 0 0 145 99,-0.1 100,-0.1 -3,-0.1 99,-0.1 0.521 100.9 106.8 -94.4 -10.3 -7.3 24.5 87.3 85 85 A G + 0 0 24 98,-0.3 100,-0.2 -3,-0.2 2,-0.1 0.403 36.7 81.6 -54.7-166.7 -4.4 22.9 89.2 86 86 A G + 0 0 20 98,-3.2 100,-0.3 1,-0.1 96,-0.2 -0.401 50.6 81.0 96.8-176.2 -4.4 21.3 92.7 87 87 A G S S- 0 0 58 -2,-0.1 -1,-0.1 94,-0.1 97,-0.1 -0.481 87.7 -55.7 76.9-148.1 -5.5 17.9 93.9 88 88 A E - 0 0 100 -2,-0.2 2,-0.1 1,-0.0 6,-0.1 -0.897 46.8-112.4-130.7 159.0 -3.0 15.1 93.5 89 89 A P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 98,-0.1 -0.342 32.9-150.6 -82.9 171.9 -1.1 13.5 90.6 90 90 A K > + 0 0 155 96,-0.1 4,-0.5 -2,-0.1 3,-0.4 -0.887 46.5 19.4-139.6 170.4 -1.9 10.0 89.3 91 91 A G H > S- 0 0 48 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 -0.414 118.0 -7.9 75.0-145.1 -0.2 7.1 87.6 92 92 A E H > S+ 0 0 108 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.949 135.9 50.2 -53.8 -58.5 3.5 6.7 87.6 93 93 A L H > S+ 0 0 1 -3,-0.4 4,-2.3 1,-0.3 -1,-0.2 0.915 114.9 45.9 -47.4 -47.9 4.4 10.0 89.1 94 94 A L H X S+ 0 0 24 -4,-0.5 4,-2.2 2,-0.2 -1,-0.3 0.869 112.1 51.6 -63.7 -37.7 1.9 9.3 91.9 95 95 A E H X S+ 0 0 110 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.926 108.6 50.5 -64.3 -46.4 3.3 5.8 92.2 96 96 A A H X S+ 0 0 1 -4,-3.4 4,-4.2 1,-0.2 5,-0.4 0.911 108.6 53.7 -57.3 -44.9 6.9 7.2 92.5 97 97 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.3 5,-0.4 0.941 109.7 45.4 -55.7 -53.7 5.7 9.6 95.2 98 98 A K H X S+ 0 0 108 -4,-2.2 4,-1.3 3,-0.2 -1,-0.2 0.915 119.9 42.9 -57.3 -43.7 4.1 6.8 97.3 99 99 A R H < S+ 0 0 174 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.947 120.0 38.5 -69.7 -50.7 7.2 4.7 96.9 100 100 A D H < S+ 0 0 45 -4,-4.2 -3,-0.2 -5,-0.2 -2,-0.2 0.859 135.5 18.6 -72.3 -35.3 9.9 7.4 97.3 101 101 A F H < S- 0 0 22 -4,-2.9 2,-1.0 -5,-0.4 -3,-0.2 0.369 102.2-113.9-118.6 5.0 8.2 9.4 100.2 102 102 A G S < S- 0 0 34 -4,-1.3 2,-0.3 -5,-0.4 -4,-0.1 -0.504 83.7 -4.4 98.8 -65.4 5.6 6.9 101.5 103 103 A S S > S- 0 0 29 -2,-1.0 4,-2.1 -6,-0.1 5,-0.1 -0.875 77.3 -94.3-149.5 178.8 2.5 8.8 100.5 104 104 A F H > S+ 0 0 16 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.921 124.5 48.2 -66.9 -44.2 1.3 12.0 98.9 105 105 A D H > S+ 0 0 93 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.792 110.8 50.3 -66.9 -30.7 0.9 13.7 102.3 106 106 A K H > S+ 0 0 100 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.905 112.5 47.8 -72.4 -41.6 4.3 12.5 103.5 107 107 A F H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.892 111.5 51.4 -62.6 -42.3 5.8 13.9 100.2 108 108 A K H X S+ 0 0 58 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.929 108.8 49.4 -61.4 -47.7 3.9 17.1 100.8 109 109 A E H X S+ 0 0 127 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.877 112.8 48.9 -59.2 -39.8 5.2 17.5 104.4 110 110 A K H X S+ 0 0 103 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.905 113.6 43.9 -69.1 -43.3 8.7 16.9 103.1 111 111 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.941 116.4 48.1 -67.4 -44.0 8.5 19.5 100.3 112 112 A T H X S+ 0 0 34 -4,-3.1 4,-3.0 -5,-0.2 5,-0.3 0.924 111.7 50.7 -59.7 -45.0 6.8 21.9 102.6 113 113 A A H X S+ 0 0 61 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.924 110.3 48.2 -59.9 -46.1 9.4 21.3 105.2 114 114 A A H X S+ 0 0 26 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.868 114.9 47.0 -62.2 -36.8 12.3 21.9 102.8 115 115 A S H >< S+ 0 0 0 -4,-2.2 3,-0.7 2,-0.2 -2,-0.2 0.902 114.6 43.3 -72.8 -44.4 10.6 25.1 101.5 116 116 A V H 3< S+ 0 0 57 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.820 108.7 63.5 -70.2 -28.3 9.9 26.5 105.0 117 117 A G H 3< S+ 0 0 49 -4,-2.2 2,-0.2 -5,-0.3 -1,-0.2 0.684 72.2 112.4 -69.9 -19.6 13.4 25.4 106.0 118 118 A V << - 0 0 17 -3,-0.7 2,-0.7 -4,-0.6 4,-0.1 -0.407 60.2-149.2 -60.5 119.5 15.1 27.7 103.5 119 119 A Q - 0 0 190 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 -0.845 68.8 -12.3 -93.6 112.9 16.9 30.4 105.6 120 120 A G S S- 0 0 50 -2,-0.7 2,-0.3 40,-0.1 -2,-0.0 -0.747 122.3 -12.3 96.1-146.8 17.0 33.6 103.6 121 121 A S S S+ 0 0 33 -2,-0.3 21,-2.8 40,-0.1 2,-0.3 -0.626 85.5 94.1 -93.8 148.2 16.1 33.5 99.9 122 122 A G E -B 141 0B 0 19,-0.3 38,-2.7 -2,-0.3 2,-0.3 -0.997 55.8 -86.3 166.9-167.7 15.7 30.3 97.9 123 123 A W E -BC 140 159B 0 17,-2.4 17,-2.9 -2,-0.3 2,-0.4 -0.977 16.9-143.7-137.9 146.6 13.6 27.5 96.4 124 124 A G E -BC 139 158B 0 34,-2.2 34,-2.4 -2,-0.3 2,-0.3 -0.831 32.0-163.6-103.4 147.8 12.4 24.1 97.6 125 125 A W E -BC 138 157B 0 13,-3.3 13,-2.0 -2,-0.4 2,-0.6 -0.985 31.3-151.2-141.5 152.0 12.3 21.4 94.8 126 126 A L E +BC 137 156B 0 30,-2.5 29,-2.5 -2,-0.3 30,-1.7 -0.983 41.5 169.4-110.3 119.0 11.0 18.0 93.8 127 127 A G E -BC 136 154B 1 9,-3.0 9,-2.1 -2,-0.6 2,-0.5 -0.719 33.4-118.4-126.3 178.4 13.6 16.6 91.4 128 128 A F E -BC 135 153B 11 25,-1.1 25,-1.7 7,-0.2 2,-1.1 -0.981 13.9-145.9-123.2 125.5 14.5 13.3 89.7 129 129 A N E >> -B 134 0B 27 5,-3.7 4,-1.7 -2,-0.5 5,-1.4 -0.777 14.4-175.2 -90.3 100.8 17.7 11.5 90.4 130 130 A K T 45S+ 0 0 96 -2,-1.1 -1,-0.2 21,-0.3 22,-0.1 0.902 82.9 54.1 -61.4 -40.8 18.5 10.0 87.0 131 131 A E T 45S+ 0 0 149 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.960 122.2 26.8 -57.8 -55.5 21.5 8.2 88.5 132 132 A R T 45S- 0 0 181 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.587 105.6-132.9 -82.9 -12.2 19.6 6.5 91.3 133 133 A G T <5 + 0 0 40 -4,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.936 65.8 97.9 60.1 49.6 16.5 6.6 89.2 134 134 A H E S-B 122 0B 68 0, 0.0 3,-2.5 0, 0.0 -19,-0.3 -0.508 71.0 -31.1 -80.0 149.2 19.8 29.0 98.0 142 142 A N T 3 S- 0 0 77 -21,-2.8 -2,-0.1 1,-0.3 19,-0.1 -0.208 124.9 -28.4 48.8-121.2 19.0 32.3 96.2 143 143 A Q T 3 S+ 0 0 4 -21,-0.1 -1,-0.3 2,-0.1 -70,-0.2 0.210 89.1 142.0-109.4 13.5 18.6 31.6 92.5 144 144 A D < - 0 0 25 -3,-2.5 -21,-0.1 1,-0.1 -78,-0.1 -0.395 52.9-126.8 -56.0 118.6 21.0 28.6 92.3 145 145 A P > - 0 0 0 0, 0.0 4,-1.4 0, 0.0 5,-0.3 -0.352 7.1-123.7 -72.0 149.9 19.2 26.3 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108.4 37.8 -61.7 -43.7 -0.2 17.8 84.5 188 188 A N H <> S+ 0 0 17 -3,-1.0 4,-2.4 -109,-0.2 -2,-0.2 0.908 114.9 51.6 -73.1 -44.3 3.0 19.7 84.0 189 189 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.910 111.2 51.2 -57.9 -40.4 4.9 18.1 86.9 190 190 A T H X S+ 0 0 38 -4,-3.0 4,-3.2 2,-0.2 5,-0.3 0.910 106.6 52.9 -63.0 -44.4 3.9 14.8 85.3 191 191 A E H X S+ 0 0 113 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.938 111.1 45.9 -56.3 -50.2 5.2 15.7 81.9 192 192 A R H < S+ 0 0 65 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.880 113.6 52.1 -60.7 -38.1 8.6 16.6 83.4 193 193 A Y H >X S+ 0 0 14 -4,-2.2 3,-1.4 -5,-0.2 4,-0.8 0.945 110.1 45.0 -64.0 -51.6 8.5 13.4 85.3 194 194 A M H 3X S+ 0 0 79 -4,-3.2 4,-1.4 1,-0.3 -1,-0.2 0.767 106.1 62.6 -65.5 -25.4 7.7 11.1 82.4 195 195 A A H 3< S+ 0 0 61 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.632 94.3 64.8 -75.0 -13.1 10.4 12.9 80.3 196 196 A C H <4 S+ 0 0 17 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.907 105.0 39.5 -76.5 -43.7 13.0 11.7 82.8 197 197 A K H < 0 0 130 -4,-0.8 -2,-0.2 1,-0.2 -1,-0.1 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111.5 44.9 -60.6 -41.1 27.1 27.2 82.0 257 58 B I H >< S+ 0 0 5 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.947 110.1 52.5 -69.3 -48.7 26.3 26.9 85.7 258 59 B A H 3< S+ 0 0 57 -4,-2.7 4,-0.3 1,-0.3 -1,-0.2 0.735 108.9 54.3 -59.0 -22.5 27.4 23.3 86.1 259 60 B L T 3X S+ 0 0 30 -4,-1.3 4,-2.0 -5,-0.2 -1,-0.3 0.579 83.1 87.5 -89.2 -10.6 30.7 24.3 84.5 260 61 B Q H <> S+ 0 0 13 -3,-1.7 4,-3.8 -4,-0.4 5,-0.3 0.893 83.7 53.8 -57.9 -45.9 31.6 27.2 86.9 261 62 B P H > S+ 0 0 86 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.916 112.3 44.1 -56.3 -45.3 33.4 25.1 89.5 262 63 B A H > S+ 0 0 37 -4,-0.3 4,-2.4 2,-0.2 5,-0.5 0.863 116.3 47.8 -68.3 -36.2 35.7 23.5 87.0 263 64 B L H X>S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 5,-0.6 0.927 114.2 45.9 -71.9 -43.0 36.3 26.9 85.3 264 65 B K H X5S+ 0 0 63 -4,-3.8 4,-2.3 -5,-0.2 5,-0.2 0.946 118.6 42.2 -64.0 -45.0 36.9 28.6 88.6 265 66 B F H X5S+ 0 0 79 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.932 123.2 35.1 -66.2 -51.3 39.3 25.9 89.9 266 67 B N H X5S+ 0 0 13 -4,-2.4 4,-1.8 -5,-0.2 -29,-0.2 0.888 123.8 43.9 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66.5 -73.4 -24.1 48.7 29.4 108.1 316 117 B G H 3< S+ 0 0 49 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.747 71.0 111.8 -68.2 -23.4 45.1 30.3 108.9 317 118 B V << - 0 0 18 -4,-0.8 2,-0.9 -3,-0.6 4,-0.1 -0.330 60.2-150.9 -57.0 117.5 43.8 28.6 105.7 318 119 B Q S S- 0 0 196 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 -0.825 71.3 -9.5 -92.7 103.8 41.8 25.6 106.9 319 120 B G S S- 0 0 51 -2,-0.9 2,-0.2 40,-0.1 -2,-0.0 -0.784 121.9 -14.4 106.5-154.4 42.2 23.2 104.0 320 121 B S S S+ 0 0 35 -2,-0.3 21,-2.1 40,-0.1 2,-0.3 -0.511 84.9 102.6 -84.8 152.5 43.7 24.1 100.7 321 122 B G E -E 340 0D 0 19,-0.3 38,-2.2 -2,-0.2 2,-0.3 -0.994 54.3 -90.7 166.3-171.2 44.2 27.7 99.7 322 123 B W E -EF 339 358D 0 17,-2.9 17,-2.6 -2,-0.3 2,-0.4 -0.979 15.8-144.0-138.0 147.8 46.4 30.8 99.2 323 124 B G E -EF 338 357D 0 34,-1.8 34,-2.9 -2,-0.3 2,-0.3 -0.902 30.6-165.6-107.7 140.3 47.5 33.7 101.3 324 125 B W E -EF 337 356D 0 13,-2.7 13,-1.8 -2,-0.4 2,-0.6 -0.966 32.2-156.6-135.8 150.4 47.9 37.0 99.4 325 126 B L E +EF 336 355D 0 30,-2.8 29,-2.5 -2,-0.3 30,-2.3 -0.993 42.3 165.0-112.1 118.5 49.3 40.5 99.5 326 127 B G E -EF 335 353D 1 9,-3.3 9,-2.4 -2,-0.6 2,-0.5 -0.822 36.0-112.6-131.8 173.5 47.1 42.4 97.1 327 128 B F E -EF 334 352D 9 25,-2.5 25,-2.5 -2,-0.3 2,-0.9 -0.940 15.0-144.4-114.8 130.3 46.4 46.0 96.1 328 129 B N E >> -E 333 0D 27 5,-3.4 4,-1.8 -2,-0.5 5,-1.5 -0.812 13.4-171.8 -92.6 103.5 43.0 47.6 96.7 329 130 B K T 45S+ 0 0 129 -2,-0.9 -1,-0.2 21,-0.3 22,-0.1 0.879 84.1 49.1 -62.7 -40.6 42.5 49.9 93.7 330 131 B E T 45S+ 0 0 179 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.911 120.1 35.1 -67.2 -44.9 39.4 51.5 95.2 331 132 B R T 45S- 0 0 171 2,-0.2 -1,-0.2 0, 0.0 -2,-0.2 0.667 103.1-134.0 -82.7 -17.7 40.9 52.2 98.6 332 133 B G T <5 + 0 0 37 -4,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.908 67.7 95.3 66.2 41.1 44.3 52.9 97.1 333 134 B H E -E 321 0D 65 0, 0.0 3,-1.8 0, 0.0 -19,-0.3 -0.461 68.3 -27.2 -79.5 152.5 40.2 28.9 99.5 341 142 B N T 3 S- 0 0 75 -21,-2.1 -2,-0.1 1,-0.3 19,-0.1 -0.159 124.1 -29.9 45.4-119.0 41.2 26.2 97.0 342 143 B Q T 3 S+ 0 0 5 -22,-0.1 -1,-0.3 2,-0.1 -70,-0.2 0.315 88.8 140.8-110.7 7.7 42.1 27.8 93.6 343 144 B D < - 0 0 25 -3,-1.8 -21,-0.1 1,-0.1 -78,-0.1 -0.326 53.8-126.4 -53.3 114.5 39.7 30.8 93.8 344 145 B P > - 0 0 1 0, 0.0 4,-1.4 0, 0.0 5,-0.2 -0.323 7.6-127.0 -67.0 146.9 41.8 33.6 92.3 345 146 B L H >>S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 5,-0.8 0.967 103.0 35.9 -58.4 -62.7 42.4 36.8 94.2 346 147 B Q H >5S+ 0 0 78 1,-0.2 4,-1.4 4,-0.2 -1,-0.2 0.921 116.1 53.7 -61.4 -46.5 41.3 39.4 91.6 347 148 B G H 45S+ 0 0 8 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.783 121.9 28.9 -60.9 -27.7 38.5 37.4 90.1 348 149 B T H <5S+ 0 0 61 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.624 136.8 20.3-109.9 -15.4 36.9 36.8 93.5 349 150 B T H <5S- 0 0 70 -4,-2.3 -3,-0.2 2,-0.2 -2,-0.2 0.540 90.8-125.0-125.2 -19.0 37.8 39.8 95.7 350 151 B G << + 0 0 42 -4,-1.4 -21,-0.3 -5,-0.8 -4,-0.2 0.222 67.0 131.8 90.2 -15.4 38.7 42.4 93.1 351 152 B L - 0 0 9 -6,-0.5 -1,-0.3 -23,-0.1 -2,-0.2 -0.456 62.1-119.8 -71.0 142.5 42.1 42.9 94.8 352 153 B I E -F 327 0D 26 -25,-2.5 -25,-2.5 -2,-0.1 2,-0.2 -0.731 31.1-118.7 -85.2 126.6 45.1 42.9 92.4 353 154 B P E +F 326 0D 12 0, 0.0 -27,-0.2 0, 0.0 3,-0.1 -0.468 44.9 156.4 -69.2 128.9 47.5 40.1 93.3 354 155 B L E S+ 0 0 0 -29,-2.5 2,-0.4 1,-0.3 -28,-0.2 0.714 70.8 12.3-113.7 -58.5 51.0 41.2 94.3 355 156 B L E -F 325 0D 0 -30,-2.3 -30,-2.8 36,-0.1 2,-0.4 -0.989 66.1-172.6-129.6 126.6 52.4 38.4 96.4 356 157 B G E -F 324 0D 0 -2,-0.4 2,-0.7 -32,-0.2 -32,-0.2 -0.952 10.9-161.6-121.4 136.9 50.9 34.9 96.7 357 158 B I E -F 323 0D 0 -34,-2.9 -34,-1.8 -2,-0.4 2,-0.3 -0.914 19.6-141.5-117.1 100.9 51.9 32.2 99.0 358 159 B D E +F 322 0D 0 -2,-0.7 -36,-0.2 -36,-0.2 -44,-0.0 -0.473 22.9 178.1 -61.1 123.3 50.5 28.9 97.8 359 160 B V + 0 0 0 -38,-2.2 -37,-0.2 -2,-0.3 -1,-0.1 0.143 32.9 124.8-115.8 21.0 49.5 26.9 100.9 360 161 B W S > S- 0 0 45 -39,-0.2 3,-1.7 -40,-0.2 4,-0.3 -0.423 77.7-109.2 -68.5 157.0 48.0 23.8 99.4 361 162 B E G >> S+ 0 0 113 1,-0.2 4,-2.7 2,-0.2 3,-0.8 0.676 116.4 66.2 -66.5 -10.9 49.7 20.8 100.9 362 163 B H G 34 S+ 0 0 32 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.576 90.6 65.9 -87.2 -0.9 51.5 20.1 97.5 363 164 B A G <4 S- 0 0 2 -3,-1.7 -1,-0.2 2,-0.0 -2,-0.2 0.599 129.5 -8.2 -89.8 -14.3 53.4 23.3 98.0 364 165 B Y T X>>S+ 0 0 7 -3,-0.8 4,-3.2 -4,-0.3 3,-1.0 0.561 95.8 102.6-155.8 -20.5 55.2 21.9 101.0 365 166 B Y H 3X5S+ 0 0 103 -4,-2.7 4,-1.3 1,-0.2 -3,-0.1 0.786 82.8 56.5 -49.1 -39.7 54.2 18.5 102.5 366 167 B L H 345S+ 0 0 75 -5,-0.3 -1,-0.2 2,-0.2 -4,-0.1 0.898 123.5 25.3 -61.2 -38.8 57.0 16.4 101.0 367 168 B Q H <45S+ 0 0 52 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.1 0.872 137.9 23.7 -94.0 -43.3 59.6 18.7 102.7 368 169 B Y H ><5S- 0 0 38 -4,-3.2 3,-1.8 1,-0.3 -3,-0.2 0.469 86.0-163.3-104.2 -1.5 57.9 20.2 105.7 369 170 B K T 3<< - 0 0 107 -4,-1.3 -1,-0.3 -5,-0.6 -2,-0.1 -0.283 67.4 -18.0 57.1-135.0 55.2 17.6 106.3 370 171 B N T 3 S+ 0 0 121 1,-0.1 2,-1.5 -5,-0.1 -1,-0.3 0.511 114.3 97.3 -81.8 -5.0 52.4 18.8 108.5 371 172 B V X> + 0 0 55 -3,-1.8 3,-1.0 1,-0.2 4,-0.8 -0.553 44.6 169.1 -88.1 76.8 54.4 21.7 109.9 372 173 B R H 3> + 0 0 29 -2,-1.5 4,-2.3 1,-0.2 3,-0.4 0.805 68.3 67.2 -56.9 -35.1 53.2 24.6 107.6 373 174 B P H 3> S+ 0 0 66 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.867 97.5 53.2 -57.1 -35.6 54.9 27.3 109.7 374 175 B D H <> S+ 0 0 79 -3,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.850 108.1 51.3 -66.6 -34.7 58.4 26.0 108.8 375 176 B Y H X S+ 0 0 1 -4,-0.8 4,-2.9 -3,-0.4 -1,-0.2 0.936 112.2 46.2 -65.8 -48.7 57.4 26.3 105.1 376 177 B L H X S+ 0 0 0 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.940 111.2 50.6 -59.5 -51.4 56.2 29.8 105.6 377 178 B K H < S+ 0 0 164 -4,-2.9 4,-0.3 1,-0.2 3,-0.2 0.899 115.4 46.0 -53.9 -40.9 59.3 30.9 107.5 378 179 B A H >< S+ 0 0 9 -4,-1.8 3,-2.2 1,-0.2 4,-0.3 0.912 101.8 61.5 -70.4 -47.1 61.4 29.4 104.7 379 180 B I H >X S+ 0 0 0 -4,-2.9 3,-2.2 1,-0.3 4,-0.6 0.788 88.7 72.2 -54.0 -29.9 59.6 30.8 101.7 380 181 B W G >< S+ 0 0 15 -4,-1.2 3,-0.5 1,-0.3 -1,-0.3 0.780 88.4 65.5 -57.6 -24.4 60.4 34.4 102.8 381 182 B N G <4 S+ 0 0 80 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.666 108.0 37.1 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0.906 112.1 52.9 -55.9 -43.5 53.2 44.3 90.1 392 193 B Y H >< S+ 0 0 7 -4,-2.3 3,-1.0 1,-0.2 4,-0.5 0.907 109.3 48.1 -60.2 -42.9 52.8 46.9 92.8 393 194 B M H >X S+ 0 0 68 -4,-2.8 4,-1.3 1,-0.3 3,-1.0 0.797 99.8 65.8 -69.6 -28.6 53.8 49.7 90.5 394 195 B A H 3< S+ 0 0 53 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.710 99.7 54.3 -66.6 -16.7 51.5 48.5 87.7 395 196 B C T << S+ 0 0 25 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.670 107.0 53.5 -86.6 -20.0 48.7 49.4 90.1 396 197 B K T <4 0 0 68 -3,-1.0 -2,-0.2 -4,-0.5 -3,-0.1 0.982 360.0 360.0 -76.2 -76.0 50.1 53.0 90.5 397 198 B K < 0 0 244 -4,-1.3 -3,-0.1 0, 0.0 -4,-0.0 0.908 360.0 360.0 46.3 360.0 50.5 54.3 86.9