==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-MAY-03 1UER . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PORPHYROMONAS GINGIVALIS; . AUTHOR F.YAMAKURA,S.SUGIO,B.Y.HIRAOKA,T.YOKOTA,D.OHMORI . 764 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31271.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 548 71.7 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 . 72 9.4 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 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 . 47 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 293 38.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.7 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 4 2 0 9 4 1 0 4 2 2 4 0 0 0 4 0 0 0 0 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 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 M 0 0 108 0, 0.0 2,-0.7 0, 0.0 50,-0.1 0.000 360.0 360.0 360.0 158.1 12.8 36.0 50.6 2 2 A T - 0 0 68 48,-0.1 2,-0.3 1,-0.0 48,-0.0 -0.822 360.0-136.5 -90.8 115.9 16.5 35.8 51.6 3 3 A H - 0 0 9 -2,-0.7 2,-0.2 33,-0.2 37,-0.1 -0.567 23.2-146.9 -77.4 132.5 17.6 32.2 51.0 4 4 A E - 0 0 138 -2,-0.3 2,-0.7 36,-0.0 -1,-0.0 -0.652 20.3-112.2-101.8 158.1 19.8 31.0 53.9 5 5 A L - 0 0 57 -2,-0.2 28,-0.1 1,-0.1 23,-0.0 -0.757 56.5-110.2 -80.5 119.6 22.7 28.6 54.3 6 6 A I - 0 0 28 -2,-0.7 2,-0.4 1,-0.1 -1,-0.1 -0.229 21.9-121.9 -60.6 137.5 20.8 25.9 56.2 7 7 A S - 0 0 112 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 -0.653 31.7-119.8 -76.9 133.2 21.8 25.5 59.8 8 8 A L - 0 0 36 -2,-0.4 71,-0.1 1,-0.1 4,-0.1 -0.554 8.6-142.0 -75.6 135.1 22.9 21.9 60.3 9 9 A P S S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.294 82.0 36.7 -81.4 15.9 20.8 19.9 62.8 10 10 A Y S S- 0 0 30 72,-0.0 -2,-0.1 0, 0.0 2,-0.0 -0.930 99.8 -70.6-153.5 172.8 24.0 18.2 64.1 11 11 A A > - 0 0 59 -2,-0.3 3,-1.9 1,-0.1 4,-0.3 -0.363 47.3-114.9 -67.4 150.2 27.7 18.7 64.8 12 12 A V T 3 S+ 0 0 65 1,-0.3 12,-0.3 2,-0.1 3,-0.3 0.727 118.0 43.8 -61.4 -22.4 29.9 19.1 61.8 13 13 A D T > S+ 0 0 91 1,-0.1 3,-1.4 2,-0.1 -1,-0.3 0.360 84.5 102.2-100.7 3.7 31.8 15.8 62.6 14 14 A A T < S+ 0 0 25 -3,-1.9 -1,-0.1 1,-0.2 -2,-0.1 0.732 81.6 46.7 -60.5 -25.9 28.5 13.9 63.4 15 15 A L T >> S+ 0 0 2 4,-0.3 4,-1.7 -4,-0.3 3,-1.1 0.410 91.0 160.4 -98.2 1.4 28.4 12.0 60.1 16 16 A A T <4 + 0 0 50 -3,-1.4 4,-0.1 1,-0.3 -3,-0.0 -0.439 55.0 21.0 -67.4 143.8 32.1 10.9 60.1 17 17 A P T >4 S+ 0 0 101 0, 0.0 3,-0.5 0, 0.0 -1,-0.3 -0.983 126.5 48.3 -88.6 -1.2 33.4 8.8 58.6 18 18 A V T <4 S+ 0 0 12 -3,-1.1 2,-0.4 1,-0.3 -2,-0.2 0.904 137.3 11.9 -65.2 -41.8 30.7 8.5 55.9 19 19 A I T 3< S- 0 0 0 -4,-1.7 -1,-0.3 -6,-0.1 -4,-0.3 -0.898 99.5-146.0-132.5 98.9 30.7 12.3 55.4 20 20 A S <> - 0 0 23 -3,-0.5 4,-2.4 -2,-0.4 5,-0.2 -0.072 23.2-105.9 -65.7 166.8 33.8 13.4 57.3 21 21 A K H > S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.915 123.8 50.1 -56.3 -47.9 34.3 16.7 59.2 22 22 A E H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.898 109.2 52.3 -61.2 -38.7 36.5 18.0 56.4 23 23 A T H > S+ 0 0 4 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.908 108.7 48.8 -66.1 -39.4 33.8 17.0 53.8 24 24 A V H X>S+ 0 0 2 -4,-2.4 4,-2.0 -12,-0.3 5,-1.9 0.927 108.5 56.6 -64.7 -39.1 31.0 18.9 55.7 25 25 A E H <5S+ 0 0 88 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.912 119.3 29.1 -59.0 -44.3 33.4 21.9 55.9 26 26 A F H X>S+ 0 0 32 -4,-2.0 5,-2.7 3,-0.2 4,-1.7 0.930 124.2 46.2 -80.6 -47.7 33.8 22.0 52.1 27 27 A H H <>S+ 0 0 0 -4,-3.0 5,-1.9 -5,-0.2 -3,-0.2 0.940 131.4 17.9 -63.9 -49.2 30.5 20.6 51.0 28 28 A H T <>S+ 0 0 23 -4,-2.0 5,-1.0 -5,-0.4 -3,-0.2 0.923 130.0 48.1 -86.4 -52.0 28.2 22.6 53.3 29 29 A G T 4< S+ 0 0 98 -4,-1.7 3,-1.2 -5,-0.2 -1,-0.2 0.939 111.8 52.7 -76.4 -43.0 22.2 37.7 43.7 42 42 A L H 3< S+ 0 0 73 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.731 103.7 56.0 -65.6 -24.6 20.8 36.2 40.5 43 43 A I T >< S+ 0 0 5 -4,-1.5 3,-2.0 -5,-0.2 6,-0.5 0.636 75.8 117.8 -87.3 -8.9 17.2 36.6 41.5 44 44 A I T < S+ 0 0 36 -3,-1.2 3,-0.1 -4,-0.4 4,-0.0 -0.312 87.4 9.6 -56.4 130.8 17.5 40.4 42.1 45 45 A G T 3 S+ 0 0 16 1,-0.2 -1,-0.3 2,-0.0 2,-0.2 0.697 109.8 107.8 73.1 17.4 15.2 42.1 39.6 46 46 A T S X S- 0 0 13 -3,-2.0 3,-1.3 646,-0.1 -1,-0.2 -0.685 88.0 -99.2-119.4 175.5 13.5 38.9 38.4 47 47 A E T 3 S+ 0 0 18 1,-0.2 3,-0.4 -2,-0.2 -4,-0.1 0.690 121.8 57.7 -67.6 -13.5 10.1 37.3 38.8 48 48 A F T > + 0 0 10 -5,-0.2 3,-2.0 1,-0.2 -1,-0.2 0.507 68.8 104.1 -94.2 -7.1 11.7 35.2 41.5 49 49 A E T < S+ 0 0 42 -3,-1.3 -1,-0.2 -6,-0.5 -2,-0.1 0.791 98.5 24.2 -46.4 -33.4 13.0 37.9 43.8 50 50 A N T 3 S+ 0 0 127 -3,-0.4 -1,-0.3 -4,-0.2 2,-0.2 0.099 97.7 109.9-125.0 27.9 10.1 37.1 46.2 51 51 A A < - 0 0 21 -3,-2.0 2,-0.1 -50,-0.1 -3,-0.0 -0.604 69.9-104.7 -96.9 159.4 9.1 33.5 45.5 52 52 A D > - 0 0 85 -2,-0.2 4,-1.7 1,-0.1 3,-0.3 -0.412 36.7-104.4 -79.5 163.3 9.7 30.5 47.8 53 53 A L H > S+ 0 0 23 1,-0.2 4,-2.7 2,-0.2 3,-0.3 0.912 118.9 56.0 -52.3 -48.8 12.5 28.0 46.9 54 54 A N H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.896 107.0 49.7 -52.1 -46.9 10.1 25.3 45.7 55 55 A T H > S+ 0 0 32 -3,-0.3 4,-1.8 2,-0.2 5,-0.3 0.883 109.6 50.6 -63.7 -36.9 8.6 27.7 43.2 56 56 A I H X S+ 0 0 0 -4,-1.7 4,-3.0 -3,-0.3 -2,-0.2 0.940 112.0 47.7 -66.7 -43.7 12.0 28.8 41.8 57 57 A V H < S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.906 113.9 47.6 -63.2 -39.0 13.0 25.2 41.4 58 58 A Q H < S+ 0 0 82 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.785 127.8 22.3 -72.5 -27.0 9.7 24.4 39.6 59 59 A K H < S+ 0 0 94 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.682 98.1 90.0-117.6 -20.0 9.8 27.4 37.3 60 60 A S < - 0 0 1 -4,-3.0 2,-0.3 -5,-0.3 625,-0.0 -0.110 46.8-169.1 -76.5 175.3 13.3 28.8 36.7 61 61 A E >> + 0 0 79 0, 0.0 4,-1.5 0, 0.0 3,-0.8 -0.891 46.7 18.1-151.0 175.7 15.9 27.9 34.1 62 62 A G H 3> S- 0 0 51 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 -0.176 123.1 -12.7 59.1-141.7 19.6 28.5 33.4 63 63 A G H 3> S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.843 135.5 57.6 -64.1 -35.9 21.8 29.7 36.2 64 64 A I H <> S+ 0 0 28 -3,-0.8 4,-2.7 1,-0.2 5,-0.2 0.952 110.8 44.3 -61.9 -44.4 18.9 30.6 38.5 65 65 A F H X S+ 0 0 23 -4,-1.5 4,-3.4 1,-0.2 5,-0.4 0.922 108.7 56.9 -64.7 -42.9 17.8 27.0 38.3 66 66 A N H X S+ 0 0 42 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.931 115.7 36.4 -54.4 -46.5 21.2 25.6 38.6 67 67 A N H X S+ 0 0 14 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.878 119.0 48.4 -76.6 -37.2 21.7 27.4 42.0 68 68 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.3 5,-0.2 0.937 112.9 48.1 -67.5 -45.6 18.1 27.0 43.2 69 69 A G H X S+ 0 0 0 -4,-3.4 4,-2.8 -5,-0.2 -2,-0.2 0.921 113.1 48.2 -60.3 -44.4 18.1 23.3 42.4 70 70 A Q H X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.4 5,-0.2 0.906 110.0 52.5 -65.2 -37.8 21.4 22.7 44.1 71 71 A T H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.964 113.7 42.7 -62.2 -50.0 20.2 24.7 47.2 72 72 A L H X S+ 0 0 25 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.956 113.5 52.2 -61.1 -46.8 17.0 22.5 47.5 73 73 A N H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.930 113.5 43.8 -54.0 -50.2 18.9 19.3 46.8 74 74 A H H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.862 109.0 55.6 -68.1 -33.8 21.5 20.1 49.5 75 75 A N H X S+ 0 0 30 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.945 114.3 41.6 -63.2 -42.3 19.0 21.3 52.1 76 76 A L H X S+ 0 0 27 -4,-2.3 4,-1.0 -5,-0.2 -2,-0.2 0.908 114.8 52.8 -68.4 -41.6 17.2 17.9 51.8 77 77 A Y H >< S+ 0 0 0 -4,-2.5 3,-0.7 -5,-0.3 4,-0.3 0.953 112.3 41.2 -59.1 -55.7 20.5 16.0 51.7 78 78 A F H >< S+ 0 0 0 -4,-2.9 3,-0.7 1,-0.2 -1,-0.2 0.832 114.0 52.7 -67.0 -30.8 22.0 17.4 54.9 79 79 A T H 3< S+ 0 0 46 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.640 99.1 63.0 -82.2 -10.8 18.7 17.3 56.8 80 80 A Q T << S+ 0 0 0 -4,-1.0 103,-2.8 -3,-0.7 2,-0.3 0.481 90.3 82.6 -91.6 -2.6 18.0 13.6 56.1 81 81 A F B < +A 182 0A 0 -3,-0.7 101,-0.2 -4,-0.3 -66,-0.0 -0.798 46.8 161.0-106.7 149.6 21.1 12.2 57.9 82 82 A R > - 0 0 60 99,-2.7 3,-0.7 -2,-0.3 4,-0.1 -0.980 36.9-112.4-159.5 147.7 21.8 11.5 61.5 83 83 A P T 3 S+ 0 0 68 0, 0.0 3,-0.1 0, 0.0 -68,-0.1 -0.444 99.9 29.1 -75.8 159.3 24.3 9.4 63.6 84 84 A G T 3 S+ 0 0 85 1,-0.1 97,-0.1 96,-0.1 2,-0.0 0.715 107.8 82.4 64.5 24.0 22.9 6.4 65.5 85 85 A K < + 0 0 101 -3,-0.7 98,-0.2 95,-0.4 -1,-0.1 0.175 38.8 108.4-123.0-120.0 20.0 5.9 63.0 86 86 A G + 0 0 14 96,-2.1 98,-0.4 -4,-0.1 94,-0.2 -0.466 40.0 111.2 74.7-146.6 20.1 4.0 59.7 87 87 A G S S- 0 0 56 -2,-0.1 -1,-0.1 96,-0.1 95,-0.1 -0.361 74.9 -34.2 75.9-156.7 18.3 0.7 59.6 88 88 A A - 0 0 63 -2,-0.1 6,-0.1 1,-0.1 96,-0.1 -0.765 57.5-106.3-111.3 152.7 15.1 0.1 57.7 89 89 A P - 0 0 16 0, 0.0 2,-0.2 0, 0.0 15,-0.1 -0.378 38.7-168.8 -68.6 151.0 12.1 2.3 56.9 90 90 A K >> + 0 0 110 94,-0.1 4,-2.3 4,-0.1 3,-0.5 -0.597 42.4 25.6-127.1-172.7 8.9 1.5 58.8 91 91 A G H 3> S- 0 0 43 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 -0.078 120.2 -13.7 53.8-150.3 5.3 2.6 58.5 92 92 A K H 3> S+ 0 0 133 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.888 140.8 45.4 -52.0 -47.9 3.7 3.7 55.3 93 93 A L H <> S+ 0 0 2 -3,-0.5 4,-2.6 2,-0.2 5,-0.2 0.955 110.6 53.1 -64.8 -49.6 7.0 4.2 53.5 94 94 A G H X S+ 0 0 5 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.912 113.3 44.1 -51.2 -46.6 8.5 0.9 54.6 95 95 A E H X S+ 0 0 130 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.862 111.7 52.5 -71.1 -32.6 5.4 -0.9 53.4 96 96 A A H X S+ 0 0 16 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.840 108.0 52.4 -70.4 -33.1 5.3 1.0 50.1 97 97 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.4 0.912 110.1 48.5 -68.7 -39.2 8.9 0.1 49.4 98 98 A D H X S+ 0 0 69 -4,-1.7 4,-1.4 -5,-0.2 -2,-0.2 0.900 113.6 47.0 -65.1 -43.0 8.2 -3.6 50.0 99 99 A K H < S+ 0 0 188 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.880 120.6 35.4 -67.8 -40.0 5.2 -3.5 47.7 100 100 A Q H < S+ 0 0 72 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.822 133.6 23.7 -85.8 -32.4 6.9 -1.6 44.8 101 101 A F H < S- 0 0 28 -4,-2.5 2,-0.5 -5,-0.2 -3,-0.2 0.434 99.5-120.7-112.5 -2.8 10.4 -3.1 45.0 102 102 A G S < S+ 0 0 58 -4,-1.4 2,-0.3 -5,-0.4 -4,-0.2 -0.235 82.1 3.7 93.1 -47.5 9.8 -6.4 46.8 103 103 A S S > S- 0 0 46 -2,-0.5 4,-2.0 -6,-0.3 5,-0.1 -0.979 73.2-106.6-163.5 163.2 12.0 -5.7 49.8 104 104 A F H > S+ 0 0 25 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.894 118.0 53.5 -66.7 -37.4 14.2 -3.0 51.4 105 105 A E H > S+ 0 0 129 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.900 110.1 46.7 -65.9 -37.8 17.4 -4.9 50.4 106 106 A K H > S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.883 110.6 53.2 -70.6 -38.1 16.3 -5.1 46.7 107 107 A F H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.934 108.0 50.7 -61.7 -45.5 15.3 -1.4 46.7 108 108 A K H X S+ 0 0 35 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.919 108.5 52.1 -61.1 -39.6 18.8 -0.5 48.1 109 109 A E H X S+ 0 0 108 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.916 112.2 45.3 -63.7 -38.7 20.5 -2.5 45.4 110 110 A E H X S+ 0 0 78 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.877 114.3 48.1 -70.6 -37.4 18.4 -0.8 42.6 111 111 A F H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.915 111.0 51.1 -67.7 -43.0 19.0 2.7 44.2 112 112 A N H X S+ 0 0 37 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.885 110.4 50.5 -61.2 -40.9 22.8 1.9 44.5 113 113 A T H X S+ 0 0 76 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.914 109.0 50.1 -66.0 -42.1 22.9 0.9 40.8 114 114 A A H X S+ 0 0 10 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.914 113.2 46.6 -61.9 -40.1 21.1 4.0 39.7 115 115 A G H < S+ 0 0 0 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.859 113.8 48.5 -70.0 -34.9 23.6 6.1 41.7 116 116 A T H < S+ 0 0 65 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.902 112.4 46.6 -72.6 -41.0 26.5 4.2 40.3 117 117 A T H < S+ 0 0 79 -4,-2.6 2,-0.6 -5,-0.1 -1,-0.2 0.439 79.6 113.3 -82.5 -4.0 25.5 4.4 36.6 118 118 A L < - 0 0 12 -4,-0.6 2,-0.5 -3,-0.3 4,-0.1 -0.625 66.0-139.1 -70.9 114.5 24.7 8.1 36.6 119 119 A F - 0 0 55 -2,-0.6 2,-0.2 2,-0.1 -2,-0.1 -0.664 60.8 -10.4 -82.2 126.9 27.4 9.5 34.3 120 120 A G S S- 0 0 2 -2,-0.5 2,-0.2 38,-0.1 192,-0.1 -0.598 114.3 -17.0 89.9-155.5 28.9 12.8 35.3 121 121 A S S S+ 0 0 2 -2,-0.2 20,-2.5 38,-0.1 2,-0.3 -0.588 85.5 95.6 -87.6 152.6 27.6 15.0 38.2 122 122 A G E -B 140 0B 0 18,-0.3 36,-2.9 -2,-0.2 37,-0.5 -0.991 57.5 -84.3 162.5-168.4 24.1 14.5 39.6 123 123 A W E -BC 139 157B 0 16,-2.3 16,-3.3 -2,-0.3 2,-0.5 -0.960 15.9-143.6-133.4 146.3 21.7 13.1 42.1 124 124 A V E -BC 138 156B 0 32,-2.3 32,-2.6 -2,-0.3 2,-0.4 -0.971 30.9-168.7-109.6 126.1 19.8 9.8 42.6 125 125 A W E -BC 137 155B 0 12,-3.0 12,-3.3 -2,-0.5 2,-0.6 -0.930 26.7-150.7-122.0 138.3 16.4 10.5 44.1 126 126 A L E +BC 136 154B 0 28,-2.7 27,-2.7 -2,-0.4 28,-1.5 -0.914 38.9 172.9 -95.9 125.1 13.6 8.3 45.7 127 127 A A E -BC 135 152B 0 8,-2.4 8,-1.8 -2,-0.6 2,-0.3 -0.897 22.0-147.3-134.4 163.4 10.4 10.3 44.9 128 128 A S E -BC 134 151B 1 23,-1.7 23,-2.8 -2,-0.3 6,-0.2 -0.945 7.5-140.2-131.4 155.6 6.7 9.9 45.2 129 129 A D > - 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0 0 29 4,-1.4 3,-1.7 -2,-0.3 21,-0.1 -0.320 45.8 -86.1 -94.0-174.8 10.7 44.0 12.1 706 730 D A T 3 S+ 0 0 109 1,-0.3 20,-0.0 2,-0.1 -1,-0.0 0.845 131.5 53.1 -61.7 -34.9 9.7 44.0 8.4 707 731 D N T 3 S- 0 0 147 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.410 120.3-111.7 -80.1 2.0 10.9 40.4 8.1 708 732 D G < + 0 0 14 -3,-1.7 2,-0.4 1,-0.3 -2,-0.1 0.422 64.9 152.6 83.4 -2.8 8.8 39.4 11.1 709 733 D K - 0 0 115 -5,-0.1 -4,-1.4 1,-0.1 -1,-0.3 -0.496 38.3-138.7 -63.9 118.3 11.8 38.8 13.3 710 734 D L E +K 704 0H 12 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.3 -0.418 23.9 179.9 -83.5 155.9 10.5 39.4 16.9 711 735 D S E -K 703 0H 25 -8,-3.0 -8,-3.9 -2,-0.1 2,-0.6 -0.978 28.8-130.1-149.2 154.8 12.3 41.2 19.7 712 736 D I E -K 702 0H 43 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.963 33.3-162.7-109.6 113.7 11.5 42.2 23.3 713 737 D E E -K 701 0H 35 -12,-3.4 -12,-3.2 -2,-0.6 2,-0.6 -0.872 12.9-148.2-106.2 130.9 12.3 45.9 23.6 714 738 D K E -K 700 0H 111 -2,-0.4 -14,-0.2 -14,-0.2 6,-0.1 -0.852 18.5-170.9 -94.6 121.0 12.9 47.7 27.0 715 739 D E E -K 699 0H 21 -16,-3.3 -16,-2.8 -2,-0.6 -2,-0.0 -0.895 12.9-144.1-119.8 105.2 11.7 51.3 26.7 716 740 D P E > -K 698 0H 88 0, 0.0 3,-2.6 0, 0.0 -18,-0.3 -0.299 67.3 -28.8 -64.1 152.0 12.5 53.8 29.5 717 741 D N T 3 S- 0 0 43 -20,-2.7 17,-0.1 1,-0.3 18,-0.1 -0.175 137.5 -4.4 44.7-108.0 9.8 56.4 30.2 718 742 D A T 3 S+ 0 0 1 -2,-0.1 -1,-0.3 -20,-0.1 -69,-0.2 0.376 97.2 138.3 -96.6 5.6 7.9 57.1 27.0 719 743 D G < - 0 0 5 -3,-2.6 -4,-0.2 -20,-0.0 -20,-0.0 -0.031 26.3-179.3 -54.6 150.8 9.9 54.9 24.7 720 744 D N > - 0 0 0 -87,-0.1 3,-1.9 -6,-0.1 4,-0.3 -0.993 39.0-115.7-151.0 146.1 8.5 52.7 22.0 721 745 D P G > S+ 0 0 0 0, 0.0 3,-2.3 0, 0.0 5,-0.4 0.799 105.9 75.5 -50.1 -35.5 9.9 50.2 19.3 722 746 D V G > S+ 0 0 2 1,-0.3 3,-2.1 3,-0.2 -3,-0.0 0.789 83.1 68.9 -48.9 -30.5 8.7 52.5 16.5 723 747 D R G < S+ 0 0 84 -3,-1.9 -1,-0.3 1,-0.3 -4,-0.0 0.828 102.1 43.7 -60.3 -32.0 11.6 54.8 17.3 724 748 D K G < S- 0 0 120 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 -0.022 129.8-100.1-102.1 28.1 14.0 52.1 16.0 725 749 D G S < S+ 0 0 53 -3,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.959 79.9 133.8 52.1 62.7 11.6 51.6 13.0 726 750 D L - 0 0 38 -5,-0.4 -21,-0.2 -21,-0.1 -1,-0.2 -0.794 59.5 -98.7-132.8 176.2 10.0 48.5 14.4 727 751 D N E -L 704 0H 63 -23,-2.6 -23,-1.9 -2,-0.3 2,-0.9 -0.876 26.3-145.9-103.5 117.8 6.5 47.0 14.9 728 752 D P E +L 703 0H 16 0, 0.0 -25,-0.2 0, 0.0 3,-0.1 -0.695 29.9 160.2 -86.5 103.8 4.8 47.3 18.4 729 753 D L E + 0 0 0 -27,-2.4 2,-0.4 -2,-0.9 -26,-0.2 0.933 65.0 6.6 -87.7 -53.3 2.8 44.1 19.0 730 754 D L E -L 702 0H 0 -28,-1.2 -28,-2.4 2,-0.0 2,-0.5 -0.969 63.9-168.6-139.8 124.0 2.2 44.0 22.8 731 755 D G E -L 701 0H 0 -2,-0.4 2,-0.5 -30,-0.2 -30,-0.2 -0.932 7.0-163.9-119.6 129.5 3.1 46.5 25.4 732 756 D F E -L 700 0H 0 -32,-2.4 -32,-1.8 -2,-0.5 2,-0.5 -0.932 20.4-137.1-108.0 126.2 3.1 46.2 29.2 733 757 D D E +L 699 0H 0 -2,-0.5 -34,-0.2 -34,-0.2 -36,-0.0 -0.703 22.4 178.0 -81.7 118.9 3.3 49.5 31.2 734 758 D V + 0 0 0 -36,-3.1 -35,-0.2 -2,-0.5 2,-0.1 0.246 39.8 123.1-108.1 15.1 5.7 49.4 34.1 735 759 D W S > S- 0 0 6 -37,-0.4 3,-1.9 -38,-0.2 4,-0.3 -0.526 75.9-118.8 -63.3 141.3 5.1 53.1 35.2 736 760 D E G >> S+ 0 0 11 1,-0.3 4,-2.9 2,-0.2 3,-1.7 0.819 109.3 69.2 -60.5 -26.2 4.0 52.6 38.8 737 761 D H G 34 S+ 0 0 1 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.742 88.9 66.7 -64.9 -17.6 0.6 54.2 38.2 738 762 D A G <4 S+ 0 0 1 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.736 124.9 3.4 -74.3 -21.8 -0.3 51.2 36.1 739 763 D Y T X>>S+ 0 0 6 -3,-1.7 4,-3.1 -4,-0.3 3,-0.7 0.461 97.6 101.5-142.0 -4.5 -0.3 48.8 39.1 740 764 D Y H 3X5S+ 0 0 1 -4,-2.9 4,-1.5 1,-0.2 -3,-0.1 0.857 77.3 57.8 -61.6 -39.2 0.3 50.7 42.3 741 765 D L H 345S+ 0 0 44 -4,-0.3 -1,-0.2 -5,-0.2 -4,-0.1 0.846 124.2 23.5 -60.5 -32.2 -3.2 50.9 43.7 742 766 D T H <45S+ 0 0 48 -3,-0.7 -2,-0.2 -148,-0.1 -1,-0.2 0.833 138.4 23.7 -99.7 -41.6 -3.6 47.1 43.6 743 767 D Y H ><5S- 0 0 10 -4,-3.1 3,-2.5 1,-0.2 -3,-0.2 0.617 75.2-172.2-103.2 -15.1 -0.0 45.7 43.7 744 768 D Q T 3< + 0 0 107 -3,-2.5 4,-1.8 1,-0.2 -1,-0.2 -0.330 34.8 149.9 -80.8 61.6 4.8 43.9 43.6 747 771 D R H > + 0 0 28 -2,-2.1 4,-2.4 1,-0.2 5,-0.2 0.903 68.5 58.0 -58.4 -43.2 5.5 44.7 39.9 748 772 D A H > S+ 0 0 20 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.912 105.7 49.4 -55.8 -44.6 6.5 41.1 39.2 749 773 D D H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.902 109.7 52.7 -61.1 -42.1 3.1 39.8 40.3 750 774 D H H X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.909 108.8 48.2 -60.7 -44.2 1.3 42.4 38.2 751 775 D L H X S+ 0 0 1 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.881 110.3 52.1 -65.6 -37.5 3.2 41.4 35.1 752 776 D K H >< S+ 0 0 66 -4,-2.1 3,-0.5 -5,-0.2 4,-0.2 0.890 111.5 48.4 -66.0 -35.6 2.5 37.7 35.7 753 777 D D H >< S+ 0 0 71 -4,-2.1 3,-1.1 1,-0.2 4,-0.3 0.739 94.0 73.2 -78.2 -23.7 -1.2 38.5 36.0 754 778 D L H >< S+ 0 0 0 -4,-1.5 3,-1.6 1,-0.2 4,-0.4 0.771 81.1 73.0 -61.1 -29.4 -1.6 40.7 32.8 755 779 D W G X< S+ 0 0 15 -4,-0.6 3,-1.0 -3,-0.5 -1,-0.2 0.827 87.2 64.0 -55.1 -34.7 -1.4 37.7 30.6 756 780 D S G < S+ 0 0 68 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.2 0.659 106.6 41.3 -66.3 -19.2 -4.9 36.6 31.6 757 781 D I G < S+ 0 0 13 -3,-1.6 -99,-2.4 -4,-0.3 2,-0.5 0.337 82.5 118.2-112.7 8.3 -6.5 39.7 30.1 758 782 D V B < -J 657 0G 0 -3,-1.0 2,-1.2 -4,-0.4 -96,-1.1 -0.634 56.9-145.7 -77.5 122.8 -4.6 40.0 26.9 759 783 D D >> - 0 0 16 -103,-3.1 3,-1.9 -2,-0.5 4,-1.3 -0.755 13.9-170.7 -92.1 95.2 -6.9 39.6 23.8 760 784 D W H 3> S+ 0 0 5 -2,-1.2 4,-1.9 -98,-0.4 5,-0.2 0.664 78.0 69.0 -60.4 -20.2 -4.6 37.8 21.4 761 785 D D H 3> S+ 0 0 112 2,-0.2 4,-0.6 1,-0.2 -1,-0.3 0.685 104.6 45.3 -75.0 -11.9 -7.0 38.2 18.5 762 786 D I H <4 S+ 0 0 47 -3,-1.9 -2,-0.2 -106,-0.2 -1,-0.2 0.838 112.7 49.6 -91.2 -42.2 -6.2 41.9 18.7 763 787 D V H >< S+ 0 0 0 -4,-1.3 3,-0.7 1,-0.2 -2,-0.2 0.727 108.0 54.3 -68.7 -22.6 -2.5 41.3 19.0 764 788 D E H >< S+ 0 0 40 -4,-1.9 3,-0.8 1,-0.3 -1,-0.2 0.879 100.9 56.7 -79.2 -37.2 -2.5 38.9 16.0 765 789 D S T 3< S+ 0 0 98 -4,-0.6 -1,-0.3 1,-0.3 -2,-0.1 -0.001 100.8 66.6 -80.7 31.4 -4.0 41.5 13.7 766 790 D R T < 0 0 38 -3,-0.7 -1,-0.3 -39,-0.0 -2,-0.1 -0.286 360.0 360.0-142.7 38.1 -1.0 43.4 14.9 767 791 D Y < 0 0 101 -3,-0.8 -98,-0.1 -64,-0.0 -99,-0.1 -0.942 360.0 360.0-159.4 360.0 1.6 41.2 13.2