==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-JUN-03 1PL4 . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [MN], MITOCHONDRIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.FAN,J.A.TAINER . 788 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31305.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 584 74.1 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 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 29 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 356 45.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 3.9 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 4 2 0 4 6 3 3 0 4 0 0 0 0 0 2 0 3 1 0 0 0 2 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 K 0 0 233 0, 0.0 2,-0.2 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 111.1 31.2 38.7 -10.8 2 2 A H - 0 0 34 33,-0.2 2,-0.3 34,-0.1 37,-0.1 -0.657 360.0-161.0 -83.7 152.9 32.6 39.9 -7.5 3 3 A S - 0 0 86 -2,-0.2 -1,-0.0 36,-0.0 29,-0.0 -0.915 25.5-105.7-132.7 154.5 36.4 39.7 -7.0 4 4 A L - 0 0 56 -2,-0.3 2,-0.3 28,-0.0 28,-0.0 -0.692 40.8-135.0 -75.4 119.8 38.9 39.7 -4.2 5 5 A P - 0 0 43 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.581 18.6-114.8 -76.8 138.7 40.6 43.1 -4.2 6 6 A D - 0 0 144 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.319 37.3-101.8 -58.6 150.7 44.3 43.2 -3.7 7 7 A L - 0 0 23 1,-0.1 -1,-0.1 2,-0.1 4,-0.1 -0.410 23.2-125.7 -63.7 154.4 45.5 44.8 -0.5 8 8 A P S S+ 0 0 85 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.451 93.3 22.9 -75.2 -3.1 46.8 48.4 -1.0 9 9 A Y S S- 0 0 23 73,-0.0 -2,-0.1 74,-0.0 5,-0.0 -0.895 98.4 -77.2-150.8 169.1 50.1 47.3 0.7 10 10 A D > - 0 0 138 -2,-0.3 3,-2.3 1,-0.1 4,-0.3 -0.241 50.1-101.6 -72.5 159.8 52.1 44.1 1.4 11 11 A Y T 3 S+ 0 0 67 1,-0.3 3,-0.4 2,-0.1 12,-0.3 0.798 121.9 45.5 -58.4 -25.2 51.0 41.7 4.2 12 12 A G T > S+ 0 0 36 1,-0.2 3,-1.3 2,-0.1 -1,-0.3 0.336 80.3 102.8-103.5 13.3 53.7 43.0 6.5 13 13 A A T < S+ 0 0 29 -3,-2.3 -1,-0.2 1,-0.2 -2,-0.1 0.682 78.0 54.7 -66.1 -20.7 53.1 46.7 5.9 14 14 A L T >> S+ 0 0 0 -3,-0.4 4,-1.6 4,-0.3 3,-1.3 0.299 89.2 170.4-101.3 8.9 51.2 47.3 9.2 15 15 A E T <4 + 0 0 95 -3,-1.3 4,-0.1 1,-0.3 -3,-0.0 -0.347 54.5 13.4 -64.3 147.7 53.9 45.8 11.5 16 16 A P T 34 S+ 0 0 90 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.963 125.4 54.3 -92.2 8.5 54.2 45.8 14.3 17 17 A H T <4 S+ 0 0 46 -3,-1.3 2,-0.4 1,-0.3 -2,-0.2 0.881 127.0 13.6 -70.6 -43.6 50.6 46.9 15.0 18 18 A I S < S- 0 0 4 -4,-1.6 -1,-0.3 161,-0.1 -4,-0.3 -0.974 92.8-130.7-131.3 117.7 48.9 44.2 13.0 19 19 A N > - 0 0 33 -2,-0.4 4,-2.1 -3,-0.2 3,-0.1 -0.215 15.7-114.3 -77.6 162.7 51.3 41.4 12.1 20 20 A A H > S+ 0 0 27 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.772 111.9 57.6 -65.4 -32.8 51.8 39.9 8.6 21 21 A Q H > S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.938 108.2 46.3 -67.4 -45.3 50.4 36.4 9.5 22 22 A I H > S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.958 115.6 48.0 -54.3 -50.8 47.1 37.9 10.6 23 23 A M H X S+ 0 0 2 -4,-2.1 4,-2.3 -12,-0.3 5,-0.3 0.920 111.9 47.4 -61.4 -47.0 47.0 40.0 7.4 24 24 A Q H X S+ 0 0 98 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.903 117.4 41.9 -64.4 -41.0 47.9 37.2 5.0 25 25 A L H X>S+ 0 0 23 -4,-2.2 5,-2.1 -5,-0.2 4,-2.0 0.908 112.5 55.4 -67.6 -42.9 45.3 34.8 6.5 26 26 A H H <>S+ 0 0 6 -4,-2.9 5,-2.8 -5,-0.3 -2,-0.2 0.894 120.5 28.1 -60.6 -45.1 42.7 37.5 6.9 27 27 A H H <>S+ 0 0 9 -4,-2.3 5,-1.4 -5,-0.2 -2,-0.2 0.936 124.3 41.4 -80.2 -55.0 42.8 38.4 3.2 28 28 A S H <5S+ 0 0 34 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.727 132.8 17.9 -79.9 -19.1 43.9 35.4 1.3 29 29 A K T X5S+ 0 0 111 -4,-2.0 4,-2.5 -5,-0.3 -3,-0.2 0.761 128.2 38.2-109.1 -62.4 41.7 32.9 3.3 30 30 A H H >S+ 0 0 6 -4,-2.2 5,-2.6 2,-0.2 4,-0.4 0.861 113.2 51.0 -60.6 -40.6 15.3 31.2 -7.1 49 49 A L H ><5S+ 0 0 14 -4,-3.0 3,-1.8 1,-0.2 -1,-0.2 0.950 106.5 53.0 -62.0 -50.6 14.1 34.6 -8.3 50 50 A A H 3<5S+ 0 0 79 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.853 114.1 42.9 -59.5 -33.2 13.4 33.5 -11.9 51 51 A K T 3<5S- 0 0 141 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.429 108.3-122.0 -91.9 3.6 11.2 30.6 -10.5 52 52 A G T < 5 + 0 0 27 -3,-1.8 2,-1.4 -4,-0.4 -3,-0.2 0.786 53.2 161.8 52.3 35.5 9.4 32.8 -7.9 53 53 A D >< + 0 0 55 -5,-2.6 4,-1.9 1,-0.2 -1,-0.2 -0.650 11.7 175.2 -86.9 93.2 10.7 30.4 -5.2 54 54 A V H > S+ 0 0 9 -2,-1.4 4,-2.6 1,-0.2 5,-0.2 0.889 74.2 56.6 -71.2 -39.0 10.2 32.6 -2.2 55 55 A T H > S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.920 109.4 46.4 -58.2 -43.5 11.2 29.9 0.3 56 56 A A H > S+ 0 0 29 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.861 109.7 54.3 -68.2 -37.7 14.5 29.4 -1.4 57 57 A Q H < S+ 0 0 0 -4,-1.9 4,-0.5 1,-0.2 -2,-0.2 0.900 112.3 43.8 -58.7 -45.4 15.1 33.1 -1.6 58 58 A I H >< S+ 0 0 4 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.913 109.6 56.1 -68.7 -37.5 14.6 33.4 2.2 59 59 A A H 3< S+ 0 0 55 -4,-2.3 4,-0.4 1,-0.3 -1,-0.2 0.793 106.7 51.9 -66.2 -24.5 16.8 30.2 2.9 60 60 A L T 3X S+ 0 0 29 -4,-1.4 4,-2.3 1,-0.2 -1,-0.3 0.583 85.2 90.1 -84.7 -11.9 19.6 31.9 1.0 61 61 A Q H <> S+ 0 0 13 -3,-1.2 4,-2.7 -4,-0.5 5,-0.3 0.884 81.9 53.1 -60.2 -42.6 19.5 35.1 3.0 62 62 A P H > S+ 0 0 68 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.942 112.0 46.0 -58.6 -43.6 21.9 34.1 5.8 63 63 A A H >>S+ 0 0 27 -4,-0.4 4,-2.6 1,-0.2 5,-0.6 0.888 113.5 48.9 -67.1 -38.4 24.6 33.2 3.3 64 64 A L H X>S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 5,-0.5 0.948 115.8 42.4 -67.5 -44.5 24.1 36.4 1.2 65 65 A K H X5S+ 0 0 59 -4,-2.7 4,-2.3 -5,-0.2 5,-0.4 0.941 118.8 45.5 -67.0 -40.8 24.2 38.7 4.3 66 66 A F H X5S+ 0 0 30 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.964 125.0 29.8 -65.6 -52.5 27.2 36.8 5.8 67 67 A N H X5S+ 0 0 8 -4,-2.6 4,-2.1 -5,-0.2 -29,-0.2 0.898 124.1 47.6 -81.0 -39.7 29.3 36.5 2.7 68 68 A G H XX S+ 0 0 16 -4,-2.2 4,-1.4 -5,-0.2 3,-0.6 0.945 110.0 60.0 -65.4 -45.4 36.4 48.8 3.2 77 77 A F H >< S+ 0 0 2 -4,-2.6 3,-0.6 1,-0.3 4,-0.4 0.906 101.8 51.5 -52.4 -46.0 38.7 47.7 6.1 78 78 A W H >< S+ 0 0 3 -4,-2.4 3,-1.0 1,-0.3 -1,-0.3 0.886 109.7 49.4 -64.3 -33.7 41.8 47.3 4.0 79 79 A T H << S+ 0 0 39 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.681 102.9 64.2 -73.7 -19.4 41.4 50.7 2.5 80 80 A N T << S+ 0 0 0 -4,-1.4 105,-3.1 -3,-0.6 2,-0.3 0.487 98.6 64.2 -81.4 -4.5 41.0 52.1 6.1 81 81 A L B < +A 184 0A 1 -3,-1.0 103,-0.2 -4,-0.4 3,-0.1 -0.865 58.8 169.4-120.2 156.0 44.5 51.1 7.0 82 82 A S > - 0 0 19 101,-2.3 3,-1.5 -2,-0.3 104,-0.1 -0.960 43.2-130.2-162.5 145.5 47.9 52.2 5.8 83 83 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 101,-0.1 0.726 118.7 49.9 -66.0 -22.8 51.6 51.9 6.6 84 84 A N T 3 S+ 0 0 151 99,-0.1 99,-0.1 -3,-0.1 100,-0.1 0.083 99.6 100.4 -92.7 14.4 51.5 55.7 6.2 85 85 A G < + 0 0 26 -3,-1.5 100,-0.2 98,-0.1 2,-0.1 0.090 36.0 81.1 -91.7-158.6 48.5 56.0 8.5 86 86 A G + 0 0 17 98,-2.8 100,-0.3 1,-0.1 96,-0.2 -0.452 56.5 76.2 91.8-170.8 48.0 57.0 12.2 87 87 A G S S- 0 0 59 -2,-0.1 -1,-0.1 99,-0.0 97,-0.1 -0.320 89.5 -50.0 66.0-146.7 47.8 60.4 13.7 88 88 A E - 0 0 102 -3,-0.1 6,-0.1 -2,-0.1 98,-0.0 -0.885 46.4-112.9-127.6 151.0 44.7 62.5 13.3 89 89 A P - 0 0 5 0, 0.0 2,-0.2 0, 0.0 98,-0.1 -0.369 32.2-149.6 -71.9 168.9 42.5 63.6 10.4 90 90 A K >> + 0 0 167 96,-0.1 4,-1.2 4,-0.0 3,-0.6 -0.660 48.8 20.6-121.7-176.4 42.4 67.3 9.4 91 91 A G H 3> S- 0 0 50 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 -0.110 117.3 -9.5 64.9-150.6 39.8 69.6 7.9 92 92 A E H 3> S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.838 132.3 56.0 -56.9 -37.8 36.0 69.1 7.9 93 93 A L H <> S+ 0 0 1 -3,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.946 109.0 46.4 -66.1 -42.3 36.3 65.5 9.1 94 94 A L H X S+ 0 0 19 -4,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.938 112.5 50.2 -65.6 -38.1 38.2 66.6 12.2 95 95 A E H X S+ 0 0 91 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.892 110.1 50.8 -68.3 -30.7 35.8 69.4 12.8 96 96 A A H X S+ 0 0 1 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.908 108.6 51.7 -67.8 -40.3 32.8 67.0 12.5 97 97 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.4 0.910 112.0 47.5 -60.7 -39.9 34.4 64.7 15.0 98 98 A K H X S+ 0 0 86 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.960 114.9 44.2 -68.5 -47.8 34.8 67.6 17.4 99 99 A R H < S+ 0 0 162 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.927 123.3 36.6 -62.7 -40.5 31.3 68.8 17.0 100 100 A D H < S+ 0 0 21 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.785 134.8 19.4 -85.7 -30.7 29.8 65.3 17.2 101 101 A F H < S- 0 0 5 -4,-2.5 2,-0.4 -5,-0.3 -3,-0.2 0.403 99.4-116.5-122.9 -4.1 32.1 63.6 19.8 102 102 A G S < S- 0 0 45 -4,-2.0 2,-0.3 -5,-0.4 -4,-0.2 -0.313 83.3 -2.1 98.3 -44.9 33.6 66.6 21.6 103 103 A S S > S- 0 0 34 -2,-0.4 4,-2.2 -6,-0.3 5,-0.2 -0.966 75.8 -98.2-162.2 169.2 37.2 65.9 20.6 104 104 A F H > S+ 0 0 11 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.908 122.2 50.9 -62.5 -43.2 39.3 63.4 18.7 105 105 A D H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.893 110.3 49.6 -64.4 -34.6 40.4 61.6 21.9 106 106 A K H > S+ 0 0 105 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.910 108.7 53.2 -70.8 -40.0 36.7 61.3 23.0 107 107 A F H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.896 108.5 50.3 -56.5 -44.5 35.8 59.9 19.6 108 108 A K H X S+ 0 0 58 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.934 108.7 51.2 -64.0 -41.2 38.5 57.3 20.1 109 109 A E H X S+ 0 0 136 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.925 112.9 47.4 -58.9 -42.3 37.2 56.4 23.5 110 110 A K H X S+ 0 0 52 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.886 114.0 43.2 -73.2 -40.7 33.7 56.0 22.0 111 111 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.877 114.1 53.3 -71.8 -35.8 34.7 53.9 19.0 112 112 A T H X S+ 0 0 39 -4,-2.6 4,-3.0 -5,-0.3 5,-0.2 0.950 109.8 48.3 -54.6 -49.8 37.0 51.9 21.3 113 113 A A H X S+ 0 0 62 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.875 111.7 48.8 -60.9 -41.8 34.0 51.3 23.6 114 114 A A H < S+ 0 0 23 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.882 115.5 44.6 -64.3 -38.7 31.7 50.2 20.8 115 115 A S H >< S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.887 114.5 46.3 -74.2 -40.8 34.3 47.9 19.5 116 116 A V H 3< S+ 0 0 64 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.821 106.8 63.8 -69.3 -26.9 35.3 46.4 22.8 117 117 A G T 3< S+ 0 0 48 -4,-1.7 2,-0.4 -5,-0.2 -1,-0.2 0.587 71.2 111.7 -75.8 -18.7 31.6 46.1 23.5 118 118 A V < - 0 0 17 -3,-0.7 2,-0.6 -4,-0.5 4,-0.1 -0.478 58.4-152.0 -60.2 121.0 30.9 43.6 20.8 119 119 A Q - 0 0 76 -2,-0.4 2,-0.3 2,-0.1 -2,-0.1 -0.862 69.4 -9.4 -99.0 118.4 30.0 40.3 22.4 120 120 A G S S- 0 0 4 -2,-0.6 2,-0.2 40,-0.1 199,-0.1 -0.747 123.0 -15.0 90.4-146.9 31.0 37.5 20.0 121 121 A S S S+ 0 0 4 -2,-0.3 21,-2.8 40,-0.1 2,-0.3 -0.608 85.0 98.9 -92.4 146.7 32.0 38.4 16.5 122 122 A G E -B 141 0B 0 19,-0.3 38,-2.3 -2,-0.2 2,-0.3 -0.998 53.8 -85.4 165.9-166.4 31.4 41.8 14.9 123 123 A W E -BC 140 159B 0 17,-2.5 17,-2.5 -2,-0.3 2,-0.4 -0.985 15.1-141.8-137.3 139.9 32.5 45.2 13.9 124 124 A G E -BC 139 158B 0 34,-2.3 34,-2.5 -2,-0.3 2,-0.4 -0.890 31.6-167.5 -96.7 135.2 32.9 48.7 15.3 125 125 A W E -BC 138 157B 0 13,-3.3 13,-2.0 -2,-0.4 2,-0.6 -0.970 30.9-155.9-128.4 143.4 32.0 51.6 12.9 126 126 A L E +BC 137 156B 0 30,-2.8 29,-2.7 -2,-0.4 30,-1.6 -0.952 40.9 170.4 -93.9 120.9 32.3 55.3 12.5 127 127 A G E -BC 136 154B 0 9,-3.0 9,-2.5 -2,-0.6 2,-0.5 -0.741 34.2-117.7-124.2 175.8 29.5 56.1 10.0 128 128 A F E -BC 135 153B 12 25,-1.9 25,-2.6 7,-0.2 2,-0.9 -0.987 16.5-145.1-115.5 126.5 27.7 59.1 8.5 129 129 A N E >> -B 134 0B 26 5,-3.1 4,-1.6 -2,-0.5 5,-1.3 -0.825 11.9-168.8 -89.4 111.3 24.0 59.5 9.1 130 130 A K T 45S+ 0 0 117 -2,-0.9 -1,-0.2 21,-0.3 22,-0.1 0.844 84.0 51.8 -70.8 -35.5 22.8 61.1 5.9 131 131 A E T 45S+ 0 0 114 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.914 119.6 34.7 -65.7 -43.7 19.3 62.0 7.3 132 132 A R T 45S- 0 0 36 2,-0.2 -2,-0.2 365,-0.0 -1,-0.2 0.629 101.4-132.9 -86.7 -14.8 20.8 63.8 10.3 133 133 A G T <5 + 0 0 49 -4,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.859 69.3 94.3 65.3 35.2 23.8 65.2 8.5 134 134 A H E -B 122 0B 68 0, 0.0 3,-2.2 0, 0.0 -19,-0.3 -0.506 68.9 -28.6 -78.7 147.6 27.3 41.7 14.7 142 142 A N T 3 S- 0 0 43 -21,-2.8 -2,-0.1 1,-0.3 19,-0.1 -0.286 124.5 -30.4 58.4-126.5 29.1 39.0 12.6 143 143 A Q T 3 S+ 0 0 0 -21,-0.1 -1,-0.3 2,-0.1 -70,-0.2 0.190 90.0 142.1-108.7 13.9 29.4 40.3 9.0 144 144 A D < - 0 0 24 -3,-2.2 2,-0.2 -75,-0.1 -21,-0.1 -0.363 51.9-131.5 -51.2 116.2 26.2 42.4 9.1 145 145 A P > - 0 0 0 0, 0.0 4,-1.6 0, 0.0 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1,-0.2 -1,-0.2 0.920 107.3 43.2 -65.1 -41.8 43.1 60.0 4.0 188 188 A N H > S+ 0 0 18 -3,-0.5 4,-2.7 2,-0.2 -2,-0.2 0.952 113.2 50.1 -69.5 -46.1 40.8 57.2 3.1 189 189 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.917 111.7 50.6 -58.4 -40.3 38.3 57.9 5.9 190 190 A T H X S+ 0 0 37 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.892 108.1 52.0 -62.9 -41.9 38.4 61.6 4.9 191 191 A E H X S+ 0 0 115 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.946 111.4 47.1 -59.3 -47.0 37.6 60.6 1.3 192 192 A R H X S+ 0 0 66 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.873 112.8 50.1 -61.3 -37.9 34.7 58.5 2.4 193 193 A Y H >< S+ 0 0 3 -4,-2.2 3,-1.2 -5,-0.2 4,-0.4 0.914 109.2 49.7 -65.9 -48.3 33.5 61.4 4.7 194 194 A M H >< S+ 0 0 73 -4,-2.9 3,-1.7 1,-0.3 4,-0.3 0.837 100.8 63.7 -64.9 -29.5 33.6 64.1 2.0 195 195 A A H >< S+ 0 0 53 -4,-1.6 3,-0.6 1,-0.3 -1,-0.3 0.789 97.9 57.9 -65.1 -23.5 31.7 61.9 -0.5 196 196 A C T << S+ 0 0 14 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.641 112.2 40.7 -74.2 -16.5 28.8 62.2 2.0 197 197 A K T < 0 0 85 -3,-1.7 -1,-0.2 -4,-0.4 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4,-2.0 -3,-0.2 5,-0.1 -0.119 16.4-111.5 -74.9 171.7 47.3 22.5 22.0 219 20 B A H > S+ 0 0 32 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.828 113.1 55.7 -66.7 -37.4 48.4 23.8 25.4 220 21 B Q H > S+ 0 0 93 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.933 108.8 48.1 -65.6 -43.4 48.5 27.5 24.5 221 22 B I H > S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.951 115.0 45.8 -59.0 -50.3 44.8 27.3 23.4 222 23 B M H X S+ 0 0 1 -4,-2.0 4,-2.3 -12,-0.3 5,-0.4 0.933 112.3 49.8 -60.3 -44.6 43.8 25.5 26.6 223 24 B Q H X S+ 0 0 99 -4,-3.0 4,-2.5 1,-0.2 5,-0.4 0.947 115.8 41.1 -61.4 -47.9 45.7 27.7 28.9 224 25 B L H X>S+ 0 0 28 -4,-2.4 5,-2.4 -5,-0.2 4,-1.9 0.923 113.4 55.0 -64.5 -43.0 44.3 31.0 27.4 225 26 B H H <>S+ 0 0 6 -4,-2.9 5,-2.5 -5,-0.3 -1,-0.2 0.885 119.7 30.2 -58.3 -44.7 40.8 29.5 27.1 226 27 B H H <>S+ 0 0 11 -4,-2.3 5,-0.9 -5,-0.2 -2,-0.2 0.940 125.3 37.9 -82.3 -54.3 40.6 28.6 30.7 227 28 B S H <5S+ 0 0 35 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.2 0.712 133.2 18.4 -84.8 -15.5 42.7 31.0 32.6 228 29 B K T X5S+ 0 0 110 -4,-1.9 4,-1.8 -5,-0.4 -3,-0.2 0.752 126.7 39.6-114.3 -53.7 41.8 34.1 30.6 229 30 B H H >S+ 0 0 3 -4,-2.2 5,-3.0 1,-0.2 4,-0.3 0.924 111.6 50.5 -66.2 -43.6 18.3 46.6 40.7 248 49 B L H ><5S+ 0 0 16 -4,-3.2 3,-1.4 1,-0.2 -1,-0.2 0.876 105.6 56.1 -63.6 -39.3 15.8 44.0 41.7 249 50 B A H 3<5S+ 0 0 83 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.818 113.4 41.7 -62.9 -34.7 15.7 45.2 45.3 250 51 B K T 3<5S- 0 0 137 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.425 110.3-123.9 -87.2 -1.6 14.7 48.6 44.0 251 52 B G T < 5 + 0 0 24 -3,-1.4 2,-1.3 -4,-0.3 -3,-0.2 0.876 51.0 164.9 56.3 34.7 12.3 47.2 41.4 252 53 B D >< + 0 0 56 -5,-3.0 4,-1.8 1,-0.2 -1,-0.2 -0.696 11.5 176.7 -85.7 95.9 14.3 49.0 38.8 253 54 B V H > S+ 0 0 11 -2,-1.3 4,-2.6 1,-0.2 5,-0.2 0.883 75.3 56.1 -74.0 -36.6 13.1 47.2 35.7 254 55 B T H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.936 109.8 46.6 -57.7 -47.2 15.1 49.4 33.2 255 56 B A H > S+ 0 0 26 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.894 110.5 52.2 -65.5 -38.0 18.3 48.5 35.0 256 57 B Q H X S+ 0 0 0 -4,-1.8 4,-0.5 1,-0.2 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8.2 31.3 7.3 740 146 D L H >>S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.8 0.937 102.7 38.6 -64.3 -51.6 8.8 27.8 8.7 741 147 D Q H >5S+ 0 0 81 3,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.936 115.6 51.3 -69.7 -44.9 10.6 26.1 5.8 742 148 D G H 45S+ 0 0 8 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.788 123.0 29.2 -64.8 -29.9 12.8 29.1 4.7 743 149 D T H <5S+ 0 0 58 -4,-1.6 -1,-0.2 3,-0.1 -2,-0.2 0.671 137.1 19.0-106.5 -20.3 14.1 29.8 8.2 744 150 D T H <5S- 0 0 70 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.573 88.3-125.7-123.1 -16.2 14.1 26.3 10.0 745 151 D G << + 0 0 38 -4,-1.4 -21,-0.3 -5,-0.8 -4,-0.2 0.203 67.2 129.3 85.2 -15.8 14.0 23.7 7.2 746 152 D L - 0 0 10 -6,-0.5 -1,-0.3 -23,-0.1 -2,-0.2 -0.451 63.2-120.7 -62.1 137.3 10.9 22.0 8.7 747 153 D I E -L 722 0H 28 -25,-2.5 -25,-2.0 -2,-0.1 2,-0.2 -0.772 28.5-120.2 -89.3 125.0 8.1 21.4 6.3 748 154 D P E +L 721 0H 10 0, 0.0 -27,-0.2 0, 0.0 3,-0.1 -0.503 41.5 161.1 -68.7 132.7 4.9 23.2 7.4 749 155 D L E S+ 0 0 0 -29,-2.7 2,-0.4 1,-0.3 -28,-0.2 0.722 71.0 9.1-110.7 -49.4 1.9 20.9 8.0 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41.8 -61.8 -38.6 -7.4 16.4 4.7 782 188 D N H <> S+ 0 0 17 -3,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.910 113.1 51.4 -76.7 -38.8 -5.0 19.2 3.8 783 189 D V H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.930 111.4 49.7 -60.3 -44.4 -2.6 18.6 6.7 784 190 D T H X S+ 0 0 39 -4,-2.7 4,-3.2 2,-0.2 5,-0.3 0.926 106.8 54.1 -59.9 -45.1 -2.5 14.9 5.6 785 191 D E H X S+ 0 0 116 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.936 110.9 46.6 -54.9 -42.7 -1.7 15.9 2.0 786 192 D R H < S+ 0 0 67 -4,-2.2 4,-0.2 1,-0.2 -2,-0.2 0.901 113.2 50.0 -68.6 -35.3 1.2 18.0 3.2 787 193 D Y H >X S+ 0 0 4 -4,-2.4 3,-2.0 1,-0.2 4,-0.5 0.920 107.4 51.1 -64.5 -49.5 2.4 15.1 5.5 788 194 D M H >< S+ 0 0 101 -4,-3.2 3,-1.1 1,-0.3 -1,-0.2 0.870 102.5 62.7 -63.3 -27.0 2.2 12.4 2.8 789 195 D A T 3< S+ 0 0 84 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.628 97.7 58.8 -68.8 -13.0 4.3 14.8 0.6 790 196 D C T <4 0 0 13 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.492 360.0 360.0 -91.8 -13.6 7.2 14.5 3.2 791 197 D K << 0 0 151 -3,-1.1 -2,-0.2 -4,-0.5 -3,-0.1 0.914 360.0 360.0 -82.4 360.0 7.6 10.7 3.0