==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-NOV-07 3BFR . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [MN]; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR Y.-X.HE,M.-X.ZHAO,C.ZHOU . 205 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10185.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 74.6 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 . 20 9.8 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 . 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 . 10 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 45.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.9 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 1 0 0 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 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 . 1 0 0 0 0 0 1 1 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 1 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 9 A K 0 0 138 0, 0.0 2,-0.1 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0-100.3 -3.7 -13.3 -19.2 2 10 A V - 0 0 31 33,-0.2 2,-0.3 34,-0.1 37,-0.1 -0.395 360.0-173.6 -59.7 135.1 -5.3 -13.9 -22.7 3 11 A T - 0 0 102 -2,-0.1 3,-0.1 36,-0.0 -1,-0.0 -0.909 32.1 -85.0-132.5 162.7 -5.9 -17.6 -23.3 4 12 A L - 0 0 26 -2,-0.3 3,-0.1 1,-0.1 2,-0.1 -0.397 56.3-103.9 -59.8 136.5 -7.0 -19.9 -26.1 5 13 A P - 0 0 34 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.411 47.3 -89.5 -66.7 144.4 -10.8 -20.1 -26.3 6 14 A D - 0 0 154 1,-0.1 2,-0.1 -3,-0.1 -3,-0.0 -0.245 45.6-106.3 -55.4 134.6 -12.3 -23.3 -24.8 7 15 A L + 0 0 92 1,-0.2 -1,-0.1 -3,-0.1 3,-0.1 -0.434 38.8 179.3 -61.3 134.1 -12.6 -26.0 -27.3 8 16 A K + 0 0 141 1,-0.4 2,-0.3 -2,-0.1 -1,-0.2 0.817 65.6 17.0-107.4 -55.4 -16.3 -26.5 -28.2 9 17 A W S S- 0 0 24 1,-0.1 -1,-0.4 2,-0.0 2,-0.1 -0.774 92.6 -93.8-111.2 161.5 -16.3 -29.3 -30.8 10 18 A D > - 0 0 111 -2,-0.3 3,-2.0 -3,-0.1 4,-0.2 -0.367 42.9-101.6 -71.6 159.6 -13.6 -31.8 -31.5 11 19 A F G > S+ 0 0 46 1,-0.3 3,-0.5 2,-0.1 12,-0.3 0.767 119.4 50.5 -53.5 -33.1 -11.1 -31.0 -34.4 12 20 A G G > S+ 0 0 23 1,-0.2 3,-1.4 2,-0.1 -1,-0.3 0.347 79.1 99.9 -90.8 6.6 -12.7 -33.3 -36.9 13 21 A A G < S+ 0 0 25 -3,-2.0 78,-0.3 1,-0.3 79,-0.2 0.694 79.3 53.8 -69.2 -21.2 -16.3 -32.0 -36.4 14 22 A L G X> S+ 0 0 0 -3,-0.5 3,-1.6 -4,-0.2 4,-1.4 0.347 90.7 159.1 -96.8 4.8 -16.1 -29.8 -39.5 15 23 A E T <4 + 0 0 105 -3,-1.4 4,-0.1 1,-0.3 -3,-0.0 -0.409 52.3 26.3 -66.8 147.7 -15.1 -32.6 -41.9 16 24 A P T 34 S+ 0 0 89 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.943 127.0 49.0 -88.3 13.9 -15.3 -33.1 -44.9 17 25 A Y T <4 S+ 0 0 47 -3,-1.6 2,-0.4 1,-0.3 -2,-0.2 0.892 127.2 13.7 -85.1 -44.2 -15.2 -29.3 -45.3 18 26 A I S < S- 0 0 2 -4,-1.4 -1,-0.3 170,-0.1 -4,-0.2 -0.997 88.9-124.1-129.4 130.6 -12.2 -28.5 -43.1 19 27 A S > - 0 0 18 -2,-0.4 4,-2.2 -3,-0.2 5,-0.1 -0.336 12.0-125.6 -73.7 152.5 -10.0 -31.4 -41.9 20 28 A G H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.841 112.6 61.5 -60.2 -35.7 -9.2 -32.2 -38.3 21 29 A Q H > S+ 0 0 115 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.947 107.1 43.6 -55.6 -50.7 -5.5 -32.0 -39.3 22 30 A I H > S+ 0 0 1 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.944 113.4 50.7 -59.4 -50.3 -6.0 -28.3 -40.2 23 31 A N H X S+ 0 0 1 -4,-2.2 4,-2.1 -12,-0.3 5,-0.3 0.866 108.0 52.6 -61.1 -38.8 -8.1 -27.5 -37.1 24 32 A E H X S+ 0 0 103 -4,-2.6 4,-2.7 2,-0.2 5,-0.4 0.955 116.5 38.8 -60.0 -51.4 -5.6 -29.1 -34.7 25 33 A L H X>S+ 0 0 70 -4,-1.8 5,-2.1 -5,-0.2 4,-1.8 0.901 114.7 53.3 -64.8 -45.1 -2.7 -27.0 -36.1 26 34 A H H <>S+ 0 0 2 -4,-3.2 5,-2.3 3,-0.2 -1,-0.2 0.862 121.6 31.0 -59.1 -40.7 -4.8 -23.8 -36.6 27 35 A Y H <>S+ 0 0 32 -4,-2.1 5,-1.1 -5,-0.2 -2,-0.2 0.942 125.6 38.3 -83.3 -57.8 -5.9 -23.9 -32.9 28 36 A T H <5S+ 0 0 44 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.787 133.7 18.5 -72.2 -27.8 -3.0 -25.5 -31.0 29 37 A K T X5S+ 0 0 128 -4,-1.8 4,-1.8 -5,-0.4 -3,-0.2 0.849 129.5 35.4-107.5 -59.3 -0.2 -23.8 -33.0 30 38 A H H > - 0 0 31 -2,-2.2 4,-1.9 1,-0.1 5,-0.1 -0.476 59.5-120.9 -89.3 154.3 11.9 11.1 -24.0 58 66 A P H > S+ 0 0 116 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.793 115.6 57.4 -58.6 -31.2 11.7 10.7 -27.8 59 67 A A H > S+ 0 0 66 2,-0.2 4,-1.0 1,-0.2 0, 0.0 0.899 108.3 44.6 -66.8 -42.7 14.0 7.7 -27.5 60 68 A N H > S+ 0 0 7 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.808 110.3 55.8 -69.8 -31.5 11.5 6.0 -25.1 61 69 A A H X S+ 0 0 37 -4,-1.9 4,-1.9 1,-0.2 3,-0.2 0.884 101.3 58.8 -65.0 -39.9 8.7 7.0 -27.4 62 70 A R H X S+ 0 0 55 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.845 104.0 49.6 -59.3 -39.6 10.4 5.2 -30.3 63 71 A K H X S+ 0 0 100 -4,-1.0 4,-1.3 2,-0.2 -1,-0.2 0.786 107.1 55.5 -73.1 -27.2 10.5 1.8 -28.5 64 72 A M H X S+ 0 0 34 -4,-1.1 4,-1.1 -3,-0.2 -2,-0.2 0.901 107.4 50.3 -64.9 -42.1 6.7 2.2 -27.8 65 73 A I H X S+ 0 0 122 -4,-1.9 4,-0.7 1,-0.2 3,-0.5 0.904 105.9 56.0 -62.1 -43.9 6.1 2.7 -31.5 66 74 A A H < S+ 0 0 68 -4,-1.8 4,-0.5 1,-0.2 3,-0.4 0.858 108.5 47.1 -55.6 -39.7 8.2 -0.5 -32.3 67 75 A I H X S+ 0 0 25 -4,-1.3 4,-1.6 1,-0.2 3,-0.3 0.706 94.0 77.1 -79.2 -22.0 5.9 -2.6 -30.0 68 76 A Q H X S+ 0 0 84 -4,-1.1 4,-2.5 -3,-0.5 -1,-0.2 0.855 89.0 57.3 -56.4 -40.2 2.6 -1.2 -31.4 69 77 A Q H X S+ 0 0 99 -4,-0.7 4,-2.7 -3,-0.4 -1,-0.2 0.892 106.6 48.9 -60.6 -41.6 2.9 -3.4 -34.5 70 78 A N H > S+ 0 0 66 -4,-0.5 4,-2.2 -3,-0.3 5,-0.5 0.825 109.6 51.5 -68.1 -34.3 3.1 -6.6 -32.4 71 79 A I H X S+ 0 0 36 -4,-1.6 4,-2.0 3,-0.2 5,-0.3 0.942 114.0 44.5 -64.9 -47.2 0.0 -5.5 -30.3 72 80 A K H X S+ 0 0 95 -4,-2.5 4,-2.4 3,-0.2 -2,-0.2 0.945 119.0 41.7 -59.3 -51.8 -2.0 -4.9 -33.5 73 81 A F H X S+ 0 0 49 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.943 123.1 35.1 -66.2 -53.2 -0.8 -8.2 -35.2 74 82 A H H X S+ 0 0 34 -4,-2.2 4,-2.5 2,-0.2 -36,-0.3 0.869 118.5 52.4 -73.4 -35.7 -1.0 -10.6 -32.3 75 83 A G H X S+ 0 0 11 -4,-2.0 4,-2.6 -5,-0.5 -2,-0.2 0.926 112.8 46.0 -60.3 -46.8 -4.1 -8.8 -30.9 76 84 A G H X S+ 0 0 5 -4,-2.4 4,-2.9 -5,-0.3 5,-0.3 0.888 111.2 51.9 -60.6 -44.3 -5.7 -9.2 -34.3 77 85 A G H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.894 112.3 46.4 -60.0 -41.8 -4.6 -12.8 -34.5 78 86 A F H X S+ 0 0 42 -4,-2.5 4,-1.6 -44,-0.3 -2,-0.2 0.954 118.3 40.0 -63.7 -52.7 -6.1 -13.5 -31.1 79 87 A T H X S+ 0 0 51 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.934 113.2 53.2 -66.3 -47.2 -9.5 -11.8 -31.8 80 88 A N H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.872 111.0 45.5 -58.5 -42.3 -9.9 -12.9 -35.4 81 89 A H H X S+ 0 0 0 -4,-1.4 4,-2.5 -5,-0.3 5,-0.2 0.842 109.6 55.0 -73.6 -33.4 -9.5 -16.6 -34.6 82 90 A C H X S+ 0 0 30 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.950 111.8 44.5 -58.4 -50.3 -11.8 -16.3 -31.6 83 91 A L H X S+ 0 0 28 -4,-2.5 4,-1.5 1,-0.2 83,-0.2 0.905 111.4 56.6 -56.5 -44.2 -14.5 -14.9 -34.0 84 92 A F H >< S+ 0 0 2 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.931 108.1 42.9 -56.3 -55.8 -13.6 -17.6 -36.5 85 93 A W H >< S+ 0 0 22 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.876 112.1 55.8 -61.1 -39.3 -14.3 -20.6 -34.2 86 94 A E H 3< S+ 0 0 69 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.743 106.3 49.6 -69.1 -25.3 -17.4 -19.1 -32.8 87 95 A N T << S+ 0 0 0 -4,-1.5 107,-2.3 -3,-0.6 2,-0.4 0.048 101.4 80.8 -98.9 27.0 -19.0 -18.6 -36.4 88 96 A L B < +A 193 0A 3 -3,-1.4 105,-0.2 105,-0.3 102,-0.1 -0.985 52.4 159.5-127.3 142.9 -18.2 -22.3 -37.2 89 97 A A - 0 0 2 103,-2.5 5,-0.1 -2,-0.4 -3,-0.0 -0.978 41.1-103.5-157.0 144.9 -20.3 -25.3 -36.3 90 98 A P > > - 0 0 9 0, 0.0 5,-2.6 0, 0.0 3,-1.4 -0.331 40.4-110.2 -61.9 156.8 -20.8 -28.9 -37.4 91 99 A E G > 5S+ 0 0 100 -78,-0.3 3,-1.0 1,-0.3 -77,-0.1 0.753 120.2 62.8 -59.4 -25.7 -24.0 -29.6 -39.4 92 100 A S G 3 5S+ 0 0 112 1,-0.2 -1,-0.3 -79,-0.2 -79,-0.0 0.754 105.8 44.8 -69.4 -26.3 -25.2 -31.5 -36.3 93 101 A Q G < 5S- 0 0 92 -3,-1.4 -1,-0.2 0, 0.0 -2,-0.2 0.157 136.1 -82.9-104.7 15.1 -25.1 -28.3 -34.3 94 102 A G T X 5S+ 0 0 3 -3,-1.0 3,-1.8 1,-0.3 101,-0.3 0.451 73.4 158.7 100.7 2.3 -26.7 -26.1 -36.9 95 103 A G T 3 < + 0 0 4 -5,-2.6 -1,-0.3 1,-0.2 99,-0.2 -0.342 69.3 18.1 -58.2 133.5 -23.7 -25.4 -39.2 96 104 A G T 3 S+ 0 0 34 97,-2.7 -1,-0.2 1,-0.3 96,-0.1 0.347 90.3 130.8 85.4 -7.5 -24.7 -24.4 -42.7 97 105 A E < - 0 0 101 -3,-1.8 98,-0.6 96,-0.3 -1,-0.3 -0.653 65.8-103.6 -77.8 136.8 -28.3 -23.6 -41.7 98 106 A P - 0 0 86 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.118 39.8 -94.7 -62.9 155.5 -29.4 -20.1 -43.0 99 107 A P - 0 0 13 0, 0.0 2,-0.2 0, 0.0 97,-0.1 -0.183 39.6-154.2 -67.4 164.0 -29.6 -17.1 -40.7 100 108 A T >> + 0 0 93 95,-0.4 4,-1.0 96,-0.1 3,-0.7 -0.716 45.6 18.0-127.4 176.3 -32.8 -16.0 -39.0 101 109 A G H 3> S- 0 0 36 -2,-0.2 4,-1.6 1,-0.2 5,-0.1 -0.212 118.6 -12.5 68.0-144.6 -34.4 -12.8 -37.6 102 110 A A H 3> S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.822 134.7 56.4 -65.4 -34.6 -33.3 -9.3 -38.5 103 111 A L H <> S+ 0 0 1 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.926 105.9 50.9 -62.5 -45.7 -30.1 -10.5 -40.1 104 112 A A H X S+ 0 0 23 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.886 112.1 47.0 -58.7 -41.2 -32.0 -12.7 -42.5 105 113 A K H X S+ 0 0 129 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.908 111.6 50.4 -67.8 -44.2 -34.3 -9.8 -43.5 106 114 A A H X S+ 0 0 10 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.900 109.7 51.5 -58.6 -43.8 -31.3 -7.5 -44.0 107 115 A I H X>S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 5,-0.6 0.915 113.1 44.0 -59.7 -46.7 -29.5 -10.1 -46.2 108 116 A D H X5S+ 0 0 96 -4,-1.9 4,-1.1 3,-0.2 -2,-0.2 0.902 115.5 48.2 -68.5 -41.4 -32.6 -10.5 -48.5 109 117 A E H <5S+ 0 0 157 -4,-2.6 -2,-0.2 2,-0.1 -1,-0.2 0.902 123.1 31.7 -63.2 -43.9 -33.3 -6.7 -48.7 110 118 A Q H <5S+ 0 0 77 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.877 136.0 19.9 -85.4 -41.5 -29.6 -5.8 -49.5 111 119 A F H <5S- 0 0 41 -4,-2.8 -3,-0.2 -5,-0.3 2,-0.2 0.507 92.6-125.0-110.9 -9.4 -28.3 -8.8 -51.5 112 120 A G S < S- 0 0 43 -6,-0.3 4,-1.5 -2,-0.2 3,-0.3 -0.978 75.8-104.2-164.4 163.2 -30.6 -13.9 -51.2 114 122 A L H > S+ 0 0 35 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.911 118.1 58.5 -57.8 -45.1 -28.1 -15.7 -48.9 115 123 A D H > S+ 0 0 112 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.834 104.1 51.2 -56.4 -36.9 -26.4 -17.2 -52.0 116 124 A E H > S+ 0 0 93 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.885 110.2 48.0 -69.0 -41.1 -25.7 -13.7 -53.4 117 125 A L H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.887 112.6 49.7 -63.8 -41.5 -24.1 -12.6 -50.2 118 126 A I H X S+ 0 0 26 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.927 109.5 51.6 -61.9 -46.5 -22.0 -15.8 -50.1 119 127 A K H X S+ 0 0 124 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.898 110.8 48.2 -55.5 -46.2 -20.9 -15.2 -53.8 120 128 A L H X S+ 0 0 56 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.926 111.6 49.4 -60.6 -47.2 -19.8 -11.7 -52.9 121 129 A T H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.904 109.2 52.2 -60.5 -43.1 -17.9 -12.9 -49.8 122 130 A N H X S+ 0 0 36 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.827 108.4 51.4 -62.8 -34.2 -16.2 -15.6 -51.9 123 131 A T H X S+ 0 0 100 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.914 111.1 47.6 -65.6 -44.6 -15.1 -12.9 -54.5 124 132 A K H < S+ 0 0 66 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.868 112.0 50.8 -63.7 -39.2 -13.7 -10.8 -51.6 125 133 A L H >< S+ 0 0 1 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.928 111.0 46.1 -64.4 -47.9 -11.9 -13.9 -50.2 126 134 A A H 3< S+ 0 0 44 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.777 107.5 61.7 -65.9 -26.1 -10.3 -14.8 -53.6 127 135 A G T 3< S+ 0 0 29 -4,-1.5 2,-0.8 -5,-0.1 -1,-0.3 0.433 72.2 110.0 -81.2 -2.4 -9.3 -11.2 -54.0 128 136 A V < - 0 0 4 -3,-1.4 2,-1.4 -4,-0.1 4,-0.1 -0.694 58.5-158.5 -74.8 110.5 -7.1 -11.2 -50.9 129 137 A Q - 0 0 169 -2,-0.8 2,-0.3 2,-0.1 -1,-0.1 -0.544 68.9 -6.4 -97.0 69.5 -3.7 -10.9 -52.5 130 138 A G S S- 0 0 52 -2,-1.4 2,-0.3 39,-0.1 -2,-0.1 -0.976 118.5 -19.4 140.8-153.9 -1.7 -12.4 -49.7 131 139 A S S S+ 0 0 36 -2,-0.3 22,-3.0 39,-0.1 2,-0.3 -0.697 85.4 97.8 -86.5 141.1 -2.7 -13.4 -46.2 132 140 A G E -B 152 0B 0 20,-0.3 37,-2.5 -2,-0.3 38,-0.5 -0.988 53.0 -93.0 173.8-158.2 -5.9 -12.0 -44.8 133 141 A W E -BC 151 168B 0 18,-2.5 18,-2.4 -2,-0.3 2,-0.4 -0.920 11.3-141.8-139.8 156.1 -9.6 -12.2 -43.9 134 142 A A E -BC 150 167B 0 33,-1.8 33,-2.4 -2,-0.3 2,-0.4 -0.990 22.1-165.9-116.9 141.8 -13.1 -11.4 -45.2 135 143 A F E -BC 149 166B 0 14,-2.8 14,-2.6 -2,-0.4 2,-0.6 -0.992 19.4-146.9-125.6 127.0 -15.7 -10.2 -42.8 136 144 A I E -BC 148 165B 0 29,-2.4 28,-3.2 -2,-0.4 29,-1.5 -0.845 41.3-173.0 -81.3 123.9 -19.4 -9.9 -43.3 137 145 A V E -BC 147 163B 0 10,-2.8 10,-1.5 -2,-0.6 2,-0.5 -0.813 34.3-136.4-123.8 157.8 -20.1 -6.8 -41.1 138 146 A K E -BC 146 162B 35 24,-2.2 24,-2.9 -2,-0.3 2,-0.8 -0.986 25.6-145.7-107.3 122.5 -22.9 -4.7 -39.7 139 147 A N E > > -BC 145 161B 30 6,-2.7 5,-1.7 -2,-0.5 6,-1.0 -0.803 13.1-171.4 -93.0 109.7 -22.0 -1.0 -40.1 140 148 A L T 3 5S+ 0 0 88 20,-2.7 3,-0.4 -2,-0.8 -1,-0.1 0.629 79.5 60.2 -75.0 -15.3 -23.4 1.0 -37.1 141 149 A S T 3 5S+ 0 0 93 1,-0.2 -1,-0.2 19,-0.1 20,-0.1 0.611 105.1 44.8 -89.8 -16.6 -22.6 4.4 -38.6 142 150 A N T < 5S- 0 0 88 -3,-0.8 -1,-0.2 18,-0.1 -2,-0.1 0.097 134.4 -70.9-116.8 22.7 -24.8 4.1 -41.8 143 151 A G T 5S- 0 0 62 -3,-0.4 -3,-0.2 1,-0.1 -2,-0.1 0.646 84.1 -65.6 100.3 19.6 -28.0 2.7 -40.3 144 152 A G S -B 132 0B 78 -2,-0.3 3,-2.5 -20,-0.3 -20,-0.3 -0.793 66.9 -20.3-105.7 150.3 -4.8 -8.2 -44.7 153 161 A N T 3 S- 0 0 77 -22,-3.0 17,-0.1 -2,-0.3 -2,-0.1 -0.360 128.5 -28.5 61.1-122.5 -2.6 -10.2 -42.4 154 162 A Q T 3 S+ 0 0 0 -2,-0.1 -1,-0.3 -23,-0.1 -74,-0.2 0.055 96.6 136.3-112.6 24.8 -4.2 -10.0 -38.9 155 163 A D < - 0 0 54 -3,-2.5 2,-0.2 -79,-0.1 -4,-0.1 -0.373 36.5-165.3 -62.5 149.4 -5.9 -6.6 -39.4 156 164 A T - 0 0 41 -6,-0.0 2,-0.5 -2,-0.0 -4,-0.1 -0.758 25.1 -90.9-132.9 176.0 -9.4 -6.6 -38.0 157 165 A V + 0 0 17 -2,-0.2 2,-0.2 -8,-0.1 -6,-0.0 -0.841 49.5 173.6 -92.7 125.2 -12.7 -4.7 -38.0 158 166 A T > + 0 0 106 -2,-0.5 3,-1.5 4,-0.1 4,-0.0 -0.745 40.0 6.3-123.9 170.9 -13.0 -2.1 -35.2 159 167 A G T 3 S+ 0 0 67 1,-0.3 -19,-0.1 -2,-0.2 -2,-0.0 -0.359 127.3 6.6 65.4-122.9 -15.3 0.6 -34.1 160 168 A P T 3 S+ 0 0 62 0, 0.0 -20,-2.7 0, 0.0 2,-0.8 0.664 111.1 88.5 -72.8 -18.1 -18.6 1.0 -36.1 161 169 A L E < -C 139 0B 47 -3,-1.5 -22,-0.2 -22,-0.2 -24,-0.0 -0.745 64.7-162.0 -86.2 110.4 -18.0 -2.2 -38.1 162 170 A V E -C 138 0B 15 -24,-2.9 -24,-2.2 -2,-0.8 2,-0.3 -0.824 17.1-129.4 -93.8 120.1 -19.4 -5.2 -36.2 163 171 A P E +C 137 0B 23 0, 0.0 -26,-0.2 0, 0.0 3,-0.1 -0.541 34.5 165.7 -71.4 128.3 -18.0 -8.6 -37.4 164 172 A L E S+ 0 0 1 -28,-3.2 2,-0.4 1,-0.4 -27,-0.2 0.762 72.4 14.5-107.3 -46.6 -20.9 -11.0 -38.1 165 173 A V E -C 136 0B 0 -29,-1.5 -29,-2.4 33,-0.1 2,-0.5 -0.978 67.0-164.2-133.8 121.9 -19.0 -13.7 -40.0 166 174 A A E -C 135 0B 0 -2,-0.4 2,-0.5 -83,-0.2 -31,-0.2 -0.899 5.1-170.0-101.8 130.9 -15.2 -14.0 -40.1 167 175 A I E -C 134 0B 0 -33,-2.4 -33,-1.8 -2,-0.5 2,-0.4 -0.983 18.1-135.4-125.0 120.6 -13.6 -16.2 -42.8 168 176 A D E +C 133 0B 0 -2,-0.5 -35,-0.2 -35,-0.2 -43,-0.0 -0.596 23.1 176.4 -77.1 123.9 -9.8 -17.0 -42.6 169 177 A A + 0 0 5 -37,-2.5 -36,-0.2 -2,-0.4 -1,-0.1 0.297 38.9 122.9-109.5 3.7 -8.0 -16.6 -46.0 170 178 A W S > S- 0 0 37 -38,-0.5 3,-2.0 -39,-0.2 4,-0.3 -0.422 73.5-120.5 -59.0 141.1 -4.5 -17.4 -44.7 171 179 A E G >> S+ 0 0 115 1,-0.3 4,-3.0 2,-0.2 3,-1.9 0.838 111.5 66.0 -57.0 -33.4 -3.0 -20.3 -46.6 172 180 A H G 34 S+ 0 0 40 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.693 90.2 67.9 -61.5 -16.8 -2.7 -22.3 -43.3 173 181 A A G <4 S+ 0 0 2 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.648 125.5 0.6 -75.5 -16.3 -6.5 -22.3 -43.1 174 182 A Y T X>>S+ 0 0 7 -3,-1.9 4,-3.0 -4,-0.3 3,-1.0 0.514 97.6 101.7-145.2 -16.4 -6.8 -24.6 -46.1 175 183 A Y H 3X5S+ 0 0 107 -4,-3.0 4,-1.8 1,-0.3 -3,-0.1 0.838 79.8 55.2 -60.7 -43.0 -3.4 -25.6 -47.6 176 184 A L H 345S+ 0 0 86 -4,-0.2 -1,-0.3 1,-0.2 -4,-0.1 0.812 123.8 27.1 -58.2 -31.9 -3.1 -29.2 -46.1 177 185 A Q H <45S+ 0 0 61 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.841 138.9 20.2 -96.2 -43.5 -6.5 -30.2 -47.6 178 186 A Y H ><5S- 0 0 24 -4,-3.0 3,-1.9 1,-0.2 -3,-0.2 0.604 79.1-170.4-106.6 -17.6 -7.0 -27.9 -50.7 179 187 A Q T 3< + 0 0 83 -3,-1.9 4,-1.0 1,-0.2 3,-0.7 -0.373 40.9 153.6 -79.0 65.0 -7.3 -24.5 -54.7 182 190 A K H 3> + 0 0 72 -2,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.808 65.1 64.0 -64.2 -33.2 -8.5 -21.8 -52.3 183 191 A A H 3> S+ 0 0 60 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.844 99.9 53.6 -60.0 -35.8 -11.7 -21.3 -54.3 184 192 A D H <> S+ 0 0 81 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.854 110.0 47.4 -66.8 -37.6 -12.8 -24.8 -53.3 185 193 A Y H X S+ 0 0 0 -4,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.929 110.9 50.3 -66.3 -48.2 -12.2 -24.0 -49.7 186 194 A F H < S+ 0 0 3 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.893 114.4 46.0 -58.8 -40.4 -14.1 -20.7 -49.9 187 195 A K H >< S+ 0 0 158 -4,-2.2 3,-0.6 -5,-0.2 -1,-0.2 0.921 114.9 46.9 -63.5 -45.6 -17.0 -22.6 -51.5 188 196 A A H >< S+ 0 0 14 -4,-2.2 3,-1.6 1,-0.2 4,-0.2 0.806 96.1 70.0 -71.5 -34.0 -16.9 -25.5 -48.9 189 197 A I G >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.3 -1,-0.2 0.747 82.9 71.7 -62.4 -26.1 -16.7 -23.5 -45.7 190 198 A W G X S+ 0 0 18 -3,-0.6 3,-0.9 -4,-0.5 -1,-0.3 0.727 84.1 70.6 -65.6 -20.0 -20.3 -22.2 -45.9 191 199 A N G < S+ 0 0 68 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.683 109.9 32.9 -66.3 -19.0 -21.5 -25.7 -45.1 192 200 A V G < S+ 0 0 1 -3,-2.0 -103,-2.5 -4,-0.2 2,-0.3 0.130 85.6 127.2-125.7 19.1 -20.2 -25.2 -41.6 193 201 A V B < -A 88 0A 0 -3,-0.9 -97,-2.7 -105,-0.2 2,-1.3 -0.623 59.4-132.0 -76.1 132.6 -20.8 -21.5 -41.0 194 202 A N > + 0 0 26 -107,-2.3 4,-1.5 -2,-0.3 3,-0.4 -0.699 31.6 171.9 -88.1 89.2 -22.7 -20.8 -37.8 195 203 A W H > S+ 0 0 3 -2,-1.3 4,-2.1 -98,-0.6 -95,-0.4 0.656 74.6 65.1 -73.2 -16.4 -25.4 -18.3 -39.1 196 204 A K H > S+ 0 0 108 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.895 104.3 45.8 -67.7 -42.6 -27.1 -18.5 -35.7 197 205 A E H > S+ 0 0 26 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.882 111.3 52.8 -65.1 -40.2 -24.1 -16.9 -34.1 198 206 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.894 109.7 48.3 -61.4 -42.4 -24.0 -14.3 -37.0 199 207 A S H X S+ 0 0 8 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.886 111.2 51.2 -64.1 -40.5 -27.7 -13.5 -36.3 200 208 A R H X S+ 0 0 137 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.899 110.7 47.7 -62.2 -44.5 -26.9 -13.1 -32.6 201 209 A R H X S+ 0 0 21 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.852 107.6 56.1 -69.2 -34.4 -24.0 -10.8 -33.4 202 210 A F H < S+ 0 0 16 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.917 113.2 42.0 -59.4 -44.0 -26.1 -8.7 -35.7 203 211 A D H < S+ 0 0 107 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.867 113.3 51.2 -72.1 -39.8 -28.6 -8.2 -32.9 204 212 A A H < 0 0 69 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.836 360.0 360.0 -69.0 -36.3 -26.0 -7.6 -30.1 205 213 A G < 0 0 49 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.1 -0.322 360.0 360.0 65.6 360.0 -24.2 -4.9 -32.2