==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-MAR-07 2P4K . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.J.PERRY . 792 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31877.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 586 74.0 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 . 27 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 361 45.6 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 0 0 4 7 2 3 0 4 0 0 0 0 0 0 0 0 4 0 0 0 4 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 0 204 0, 0.0 2,-0.2 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 114.3 5.7 0.1 78.8 2 2 A H - 0 0 24 33,-0.2 2,-0.3 34,-0.1 37,-0.1 -0.595 360.0-159.2 -80.4 151.8 4.2 1.3 75.5 3 3 A S - 0 0 76 -2,-0.2 29,-0.0 36,-0.0 -1,-0.0 -0.914 24.9-107.2-128.9 154.2 0.4 1.1 75.1 4 4 A L - 0 0 57 -2,-0.3 2,-0.2 28,-0.0 28,-0.1 -0.724 41.1-134.4 -77.7 114.3 -2.0 1.0 72.2 5 5 A P - 0 0 43 0, 0.0 -1,-0.0 0, 0.0 2,-0.0 -0.487 18.7-114.0 -69.7 139.2 -3.8 4.5 72.2 6 6 A D - 0 0 145 -2,-0.2 72,-0.0 1,-0.1 0, 0.0 -0.357 37.2-103.4 -59.6 150.9 -7.5 4.5 71.8 7 7 A L - 0 0 22 2,-0.1 -1,-0.1 1,-0.1 72,-0.1 -0.416 24.0-124.4 -64.6 152.2 -8.6 6.1 68.5 8 8 A P S S+ 0 0 85 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.473 92.1 23.3 -76.4 3.8 -10.0 9.6 69.1 9 9 A Y S S- 0 0 29 73,-0.0 -2,-0.1 74,-0.0 2,-0.0 -0.902 97.9 -74.5-155.2 171.8 -13.3 8.5 67.3 10 10 A D > - 0 0 134 -2,-0.3 3,-2.2 1,-0.1 4,-0.2 -0.319 48.6-104.6 -73.4 157.9 -15.4 5.3 66.6 11 11 A Y T 3 S+ 0 0 85 1,-0.3 3,-0.4 2,-0.1 12,-0.3 0.779 121.4 47.2 -58.5 -26.6 -14.3 2.9 63.9 12 12 A G T > S+ 0 0 36 1,-0.2 3,-1.3 2,-0.1 -1,-0.3 0.328 81.1 99.0 -94.0 8.0 -17.0 4.2 61.7 13 13 A A T < S+ 0 0 31 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.699 78.3 55.1 -73.7 -14.7 -16.4 7.9 62.1 14 14 A L T >> S+ 0 0 0 -3,-0.4 4,-1.7 4,-0.3 3,-1.1 0.315 88.0 164.1-101.7 9.0 -14.4 8.4 58.9 15 15 A E T <4 + 0 0 91 -3,-1.3 4,-0.1 1,-0.3 -3,-0.0 -0.361 54.8 19.0 -62.5 146.7 -17.1 6.9 56.6 16 16 A P T 34 S+ 0 0 87 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.987 127.0 50.4 -85.3 0.8 -17.4 7.1 53.6 17 17 A H T <4 S+ 0 0 47 -3,-1.1 2,-0.4 1,-0.3 -2,-0.2 0.876 127.7 13.4 -70.2 -41.8 -13.8 8.0 53.1 18 18 A I S < S- 0 0 5 -4,-1.7 -4,-0.3 161,-0.1 -1,-0.3 -0.981 92.2-130.1-131.7 123.1 -12.2 5.3 55.1 19 19 A N > - 0 0 32 -2,-0.4 4,-2.4 -3,-0.2 5,-0.2 -0.162 15.9-112.4 -82.2 168.3 -14.5 2.5 56.1 20 20 A A H > S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.834 112.4 56.4 -66.4 -35.3 -15.2 0.9 59.5 21 21 A Q H > S+ 0 0 93 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.925 109.2 47.2 -65.9 -41.7 -13.6 -2.5 58.6 22 22 A I H > S+ 0 0 3 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.962 112.6 48.8 -62.0 -48.9 -10.3 -0.9 57.7 23 23 A M H X S+ 0 0 1 -4,-2.4 4,-2.2 -12,-0.3 5,-0.4 0.922 112.6 48.6 -59.4 -43.1 -10.2 1.3 60.8 24 24 A Q H X S+ 0 0 97 -4,-2.4 4,-2.5 1,-0.2 5,-0.4 0.947 117.8 38.6 -63.5 -47.8 -11.0 -1.7 63.0 25 25 A L H X>S+ 0 0 9 -4,-2.5 4,-2.2 -5,-0.2 5,-1.9 0.933 113.6 55.9 -66.2 -44.6 -8.4 -4.0 61.5 26 26 A H H <>S+ 0 0 2 -4,-3.5 5,-2.5 -5,-0.3 6,-0.2 0.916 120.9 28.4 -58.5 -42.3 -5.8 -1.2 61.1 27 27 A H H <>S+ 0 0 12 -4,-2.2 5,-1.7 -5,-0.3 -2,-0.2 0.959 125.8 41.2 -79.8 -53.7 -6.0 -0.3 64.8 28 28 A S H <5S+ 0 0 33 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.2 0.697 131.9 20.3 -77.6 -21.4 -6.9 -3.5 66.6 29 29 A K T X5S+ 0 0 102 -4,-2.2 4,-2.3 -5,-0.4 5,-0.2 0.777 129.5 34.6-109.4 -60.7 -4.7 -5.9 64.5 30 30 A H H >S+ 0 0 9 -4,-2.3 5,-2.7 1,-0.2 4,-0.5 0.888 111.7 49.4 -63.0 -42.7 21.4 -7.7 75.2 49 49 A L H ><5S+ 0 0 18 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.915 108.2 52.9 -59.7 -45.1 22.7 -4.3 76.5 50 50 A A H 3<5S+ 0 0 84 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.875 114.0 43.1 -63.7 -32.2 23.2 -5.6 80.0 51 51 A K H 3<5S- 0 0 177 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.454 107.9-123.1 -88.3 -6.9 25.3 -8.5 78.6 52 52 A G T <<5 + 0 0 28 -3,-1.0 2,-1.3 -4,-0.5 -3,-0.2 0.845 53.5 161.0 62.5 31.1 27.2 -6.3 76.1 53 53 A D >< + 0 0 71 -5,-2.7 4,-1.8 1,-0.2 -1,-0.2 -0.673 13.6 174.9 -89.8 93.1 26.0 -8.6 73.3 54 54 A V H > S+ 0 0 9 -2,-1.3 4,-2.5 2,-0.2 5,-0.2 0.870 76.3 56.3 -67.9 -36.2 26.5 -6.4 70.2 55 55 A T H > S+ 0 0 29 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.928 109.1 47.8 -59.1 -44.6 25.4 -9.1 67.8 56 56 A A H > S+ 0 0 25 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.888 109.6 53.0 -64.9 -38.8 22.1 -9.5 69.6 57 57 A Q H X S+ 0 0 0 -4,-1.8 4,-0.5 1,-0.2 3,-0.2 0.916 112.1 44.4 -61.1 -45.1 21.6 -5.7 69.6 58 58 A I H >< S+ 0 0 3 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.899 110.2 54.8 -70.6 -35.9 22.1 -5.5 65.8 59 59 A A H 3< S+ 0 0 56 -4,-2.6 4,-0.4 1,-0.3 -1,-0.2 0.804 105.7 53.9 -68.6 -24.9 19.9 -8.5 65.1 60 60 A L H 3X S+ 0 0 27 -4,-1.5 4,-2.2 -3,-0.2 -1,-0.3 0.568 85.6 88.9 -81.6 -8.8 17.1 -6.9 67.0 61 61 A Q H S+ 0 0 66 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.940 112.8 45.4 -60.2 -43.8 14.8 -4.7 62.2 63 63 A A H > S+ 0 0 28 -4,-0.4 4,-2.5 2,-0.2 5,-0.5 0.886 114.5 49.1 -63.4 -39.4 12.1 -5.6 64.7 64 64 A L H X>S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.6 0.941 115.2 42.8 -66.3 -46.5 12.7 -2.4 66.7 65 65 A K H X5S+ 0 0 65 -4,-3.0 4,-1.8 -5,-0.2 5,-0.3 0.909 117.6 46.3 -65.9 -43.8 12.5 -0.1 63.7 66 66 A F H X5S+ 0 0 33 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.942 124.4 29.8 -65.0 -47.3 9.6 -1.9 62.1 67 67 A N H X5S+ 0 0 9 -4,-2.5 4,-2.2 -5,-0.2 -29,-0.2 0.875 123.5 46.7 -86.7 -36.5 7.4 -2.2 65.2 68 68 A G H X5S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.5 -3,-0.2 0.919 116.4 47.7 -67.6 -42.4 8.6 1.0 67.0 69 69 A G H X< S+ 0 0 2 -4,-2.3 3,-0.7 1,-0.2 4,-0.4 0.920 101.5 52.8 -58.4 -43.7 -1.9 8.9 61.9 78 78 A W H >< S+ 0 0 3 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.893 111.2 47.4 -62.7 -35.9 -5.0 8.4 64.1 79 79 A T H 3< S+ 0 0 41 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.691 103.1 63.8 -75.3 -19.4 -4.6 11.9 65.5 80 80 A N T << S+ 0 0 0 -4,-1.5 105,-3.0 -3,-0.7 2,-0.3 0.441 98.6 66.8 -79.4 -4.4 -4.1 13.3 61.9 81 81 A L B < +A 184 0A 2 -3,-1.1 103,-0.2 -4,-0.4 3,-0.0 -0.842 58.8 172.1-119.9 153.7 -7.7 12.2 61.0 82 82 A S > - 0 0 16 101,-2.5 3,-1.4 -2,-0.3 104,-0.1 -0.963 42.2-134.2-157.6 141.8 -11.1 13.4 62.2 83 83 A P T 3 S+ 0 0 64 0, 0.0 101,-0.1 0, 0.0 -1,-0.1 0.659 117.6 48.4 -64.7 -17.1 -14.8 13.0 61.4 84 84 A N T 3 S+ 0 0 150 99,-0.1 99,-0.1 -3,-0.0 100,-0.1 0.103 99.8 95.0-106.1 17.0 -14.8 16.9 61.8 85 85 A G < + 0 0 26 -3,-1.4 100,-0.2 98,-0.1 2,-0.1 0.121 35.7 89.5 -93.4-155.2 -11.8 17.4 59.5 86 86 A G + 0 0 18 98,-2.7 100,-0.3 1,-0.1 96,-0.2 -0.429 56.3 77.3 88.3-173.6 -11.3 18.1 55.8 87 87 A G S S- 0 0 60 -2,-0.1 -1,-0.1 98,-0.1 97,-0.1 -0.372 89.2 -55.7 70.9-150.6 -11.0 21.6 54.3 88 88 A E - 0 0 106 -2,-0.1 6,-0.1 -3,-0.1 98,-0.0 -0.908 47.5-109.3-127.5 151.0 -7.8 23.7 54.7 89 89 A P - 0 0 4 0, 0.0 2,-0.3 0, 0.0 98,-0.1 -0.304 32.8-145.9 -71.9 171.5 -5.7 24.8 57.6 90 90 A K >> + 0 0 176 96,-0.1 3,-0.7 4,-0.0 4,-0.6 -0.790 50.3 17.3-127.5 172.4 -5.6 28.5 58.6 91 91 A G H 3> S- 0 0 50 -2,-0.3 4,-2.1 1,-0.2 3,-0.2 -0.267 118.1 -8.3 71.7-152.1 -3.0 30.8 60.1 92 92 A E H 3> S+ 0 0 102 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.837 131.5 57.0 -55.0 -40.0 0.7 30.3 60.1 93 93 A L H <> S+ 0 0 0 -3,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.931 108.6 45.8 -64.5 -44.0 0.5 26.7 58.9 94 94 A L H X S+ 0 0 23 -4,-0.6 4,-2.4 -3,-0.2 -1,-0.2 0.905 112.3 51.7 -63.8 -37.4 -1.4 27.8 55.8 95 95 A E H X S+ 0 0 104 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.900 109.9 49.1 -64.8 -37.2 1.1 30.6 55.2 96 96 A A H X S+ 0 0 1 -4,-2.7 4,-3.2 2,-0.2 5,-0.3 0.891 109.6 52.6 -64.7 -41.3 4.0 28.2 55.5 97 97 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.4 0.918 112.4 45.0 -61.0 -42.5 2.3 25.9 53.0 98 98 A K H X S+ 0 0 91 -4,-2.4 4,-1.7 3,-0.2 -2,-0.2 0.930 115.7 47.2 -67.0 -44.4 1.9 28.8 50.5 99 99 A R H < S+ 0 0 159 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.950 121.9 34.1 -60.5 -47.9 5.4 30.0 51.1 100 100 A D H < S+ 0 0 24 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.808 134.2 22.2 -87.7 -27.6 7.0 26.5 50.7 101 101 A F H < S- 0 0 10 -4,-2.5 2,-0.6 -5,-0.3 -3,-0.2 0.422 99.3-116.5-119.1 -2.7 4.7 24.9 48.1 102 102 A G S < S- 0 0 44 -4,-1.7 2,-0.3 -5,-0.4 -4,-0.1 -0.341 83.6 -0.4 99.9 -53.9 3.1 27.8 46.3 103 103 A S S > S- 0 0 38 -2,-0.6 4,-2.2 -6,-0.3 5,-0.1 -0.962 75.2-100.9-158.6 165.7 -0.4 27.1 47.3 104 104 A F H > S+ 0 0 13 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.932 123.0 52.1 -61.0 -45.8 -2.6 24.6 49.3 105 105 A D H > S+ 0 0 99 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.875 109.5 48.2 -61.8 -35.8 -3.6 22.9 46.0 106 106 A K H > S+ 0 0 108 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.885 109.5 54.5 -69.6 -38.3 0.1 22.5 44.9 107 107 A F H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.4 0.933 107.8 49.3 -55.7 -48.7 0.9 21.1 48.4 108 108 A K H X S+ 0 0 60 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.917 109.8 51.4 -60.8 -40.0 -1.8 18.5 47.9 109 109 A E H X S+ 0 0 133 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.938 112.4 46.3 -60.1 -43.5 -0.4 17.6 44.5 110 110 A K H X S+ 0 0 59 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.874 114.7 44.3 -70.5 -42.0 3.1 17.2 46.0 111 111 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.885 114.7 51.2 -71.8 -35.0 2.1 15.1 49.0 112 112 A T H X S+ 0 0 40 -4,-2.3 4,-3.2 -5,-0.4 5,-0.3 0.958 110.3 49.3 -60.0 -46.5 -0.2 13.0 46.8 113 113 A A H X S+ 0 0 62 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.912 111.7 48.0 -60.4 -43.9 2.7 12.5 44.4 114 114 A A H < S+ 0 0 24 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.909 115.4 45.0 -64.9 -37.3 5.0 11.4 47.2 115 115 A S H >< S+ 0 0 0 -4,-2.2 3,-1.1 2,-0.2 -2,-0.2 0.913 114.8 46.5 -74.8 -42.8 2.4 9.0 48.6 116 116 A V H 3< S+ 0 0 65 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.827 107.0 63.2 -61.6 -33.5 1.4 7.6 45.2 117 117 A G T 3< S+ 0 0 46 -4,-2.1 2,-0.3 -5,-0.3 -1,-0.2 0.605 71.4 111.2 -72.9 -13.4 5.1 7.2 44.5 118 118 A V < - 0 0 18 -3,-1.1 2,-0.6 -4,-0.3 4,-0.1 -0.545 57.9-152.8 -68.5 126.6 5.9 4.8 47.2 119 119 A Q - 0 0 81 -2,-0.3 2,-0.3 2,-0.1 -2,-0.1 -0.894 69.2 -7.9-101.3 116.2 6.7 1.4 45.5 120 120 A G S S- 0 0 4 -2,-0.6 2,-0.3 40,-0.1 597,-0.1 -0.711 122.3 -16.4 95.0-152.4 5.8 -1.3 48.0 121 121 A S S S+ 0 0 4 -2,-0.3 21,-2.8 40,-0.1 2,-0.3 -0.608 85.8 96.9 -89.2 145.3 4.8 -0.4 51.6 122 122 A G E -B 141 0B 0 19,-0.3 38,-2.5 -2,-0.3 39,-0.3 -0.994 54.8 -87.3 167.1-164.6 5.4 3.0 53.2 123 123 A W E -BC 140 159B 0 17,-2.2 17,-2.6 -2,-0.3 2,-0.4 -0.972 15.1-139.4-137.8 146.4 4.2 6.4 54.1 124 124 A G E -BC 139 158B 0 34,-2.4 34,-2.8 -2,-0.3 2,-0.4 -0.881 31.6-165.7-101.1 139.3 4.0 9.9 52.6 125 125 A W E -BC 138 157B 0 13,-2.6 13,-2.2 -2,-0.4 2,-0.6 -0.990 30.0-155.7-133.4 140.9 4.8 12.8 55.1 126 126 A L E +BC 137 156B 0 30,-2.9 29,-2.7 -2,-0.4 30,-1.8 -0.959 41.6 171.5 -93.1 121.0 4.5 16.5 55.4 127 127 A G E -BC 136 154B 1 9,-3.2 9,-2.6 -2,-0.6 2,-0.5 -0.750 33.9-119.1-125.8 176.4 7.3 17.3 57.9 128 128 A F E -BC 135 153B 13 25,-1.9 25,-2.7 -2,-0.2 2,-0.8 -0.984 15.6-147.2-118.3 126.6 9.1 20.3 59.4 129 129 A N E >> -B 134 0B 27 5,-3.3 4,-2.0 -2,-0.5 5,-1.4 -0.807 11.1-169.5 -90.4 107.5 12.8 20.8 58.8 130 130 A K T 45S+ 0 0 128 -2,-0.8 -1,-0.2 21,-0.3 22,-0.1 0.884 83.3 53.1 -69.8 -31.6 14.0 22.4 62.0 131 131 A E T 45S+ 0 0 116 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.933 119.4 33.9 -68.3 -42.7 17.4 23.3 60.7 132 132 A R T 45S- 0 0 36 2,-0.2 -1,-0.2 1,-0.0 -2,-0.2 0.667 102.4-132.2 -85.7 -17.2 16.0 25.1 57.6 133 133 A G T <5 + 0 0 48 -4,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.871 69.7 92.0 68.6 38.8 12.9 26.4 59.4 134 134 A H E -B 122 0B 68 0, 0.0 3,-2.5 0, 0.0 -19,-0.3 -0.486 69.5 -28.0 -79.5 148.2 9.6 2.9 53.3 142 142 A N T 3 S- 0 0 43 -21,-2.8 -2,-0.1 1,-0.3 19,-0.1 -0.276 124.1 -31.2 56.9-127.7 7.8 0.2 55.3 143 143 A Q T 3 S+ 0 0 3 -21,-0.1 -1,-0.3 2,-0.1 -70,-0.2 0.131 89.1 144.1-109.4 19.8 7.4 1.5 58.9 144 144 A D < - 0 0 24 -3,-2.5 2,-0.1 1,-0.1 -21,-0.1 -0.426 50.5-129.3 -57.4 121.8 10.6 3.6 59.0 145 145 A P > - 0 0 0 0, 0.0 4,-1.5 0, 0.0 5,-0.2 -0.452 6.9-125.9 -80.9 152.9 9.5 6.6 61.1 146 146 A L H >>S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 5,-0.7 0.944 101.7 38.5 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164 B A G <4 S- 0 0 2 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.655 127.7 -2.4 -73.3 -14.2 42.7 -2.1 54.8 364 165 B Y T X>>S+ 0 0 5 -3,-2.1 4,-3.0 -4,-0.3 3,-1.5 0.543 99.4 98.5-149.2 -17.6 45.0 -1.9 51.8 365 166 B Y H 3X5S+ 0 0 2 -4,-3.2 4,-1.6 1,-0.3 -3,-0.1 0.819 80.1 57.6 -63.7 -37.6 45.3 1.4 50.1 366 167 B L H 345S+ 0 0 22 -5,-0.3 -1,-0.3 -4,-0.2 -4,-0.1 0.805 123.5 25.4 -62.8 -26.7 48.6 2.7 51.6 367 168 B Q H <45S+ 0 0 52 -3,-1.5 -2,-0.2 2,-0.1 -1,-0.2 0.809 137.0 24.7-102.3 -42.8 50.4 -0.4 50.3 368 169 B Y H ><5S- 0 0 40 -4,-3.0 3,-2.4 1,-0.3 -3,-0.2 0.415 84.3-161.2-106.5 -5.5 48.4 -1.7 47.2 369 170 B K T 3< + 0 0 51 -3,-2.4 3,-1.4 1,-0.2 4,-1.3 -0.459 40.4 165.7 -92.2 72.7 44.8 -2.7 43.2 372 173 B R H 3> S+ 0 0 28 -2,-1.9 4,-2.3 1,-0.3 3,-0.3 0.877 70.2 61.7 -55.0 -39.9 42.5 -4.5 45.5 373 174 B P H 3> S+ 0 0 65 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.813 99.6 56.0 -60.4 -25.0 43.1 -7.9 43.9 374 175 B D H <> S+ 0 0 86 -3,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.905 107.4 49.7 -71.9 -36.9 46.9 -7.7 44.7 375 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112.8 49.1 -61.3 -39.0 11.9 -25.4 36.4 790 193 D Y H >X S+ 0 0 5 -4,-2.0 3,-1.8 -5,-0.2 4,-1.4 0.927 110.1 49.5 -65.9 -45.9 14.1 -27.6 38.5 791 194 D M H 3< S+ 0 0 78 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.790 103.2 60.1 -67.4 -22.0 15.0 -30.0 35.8 792 195 D A T 3< S+ 0 0 68 -4,-1.4 -1,-0.3 -5,-0.3 3,-0.3 0.641 105.6 50.3 -81.1 -7.9 15.8 -27.1 33.5 793 196 D C T <4 S+ 0 0 20 -3,-1.8 2,-0.5 -4,-0.3 -2,-0.2 0.574 105.2 52.4 -88.1 -37.3 18.5 -26.4 36.2 794 197 D K < 0 0 77 -4,-1.4 -1,-0.2 -5,-0.0 -4,-0.1 -0.673 360.0 360.0 -86.5 56.4 19.6 -29.9 36.0 795 198 D K 0 0 237 -2,-0.5 -3,-0.1 -3,-0.3 -2,-0.1 -0.274 360.0 360.0 -62.8 360.0 19.7 -28.8 32.4