==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-JAN-13 3W4Y . COMPND 2 MOLECULE: MITOCHONDRIAL FAD-LINKED SULFHYDRYL OXIDASE ERV1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR S.KAWANO,K.TERAO,N.WATANABE,T.ENDO . 350 3 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21084.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 65.1 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 . 2 0.6 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 . 14 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 51.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.6 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 0 3 0 0 0 0 0 0 0 3 0 0 0 6 2 1 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 76 A S 0 0 67 0, 0.0 5,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -58.2 -17.3 24.3 19.2 2 77 A R + 0 0 176 3,-0.1 4,-0.0 1,-0.1 0, 0.0 0.987 360.0 33.5 -81.9 -71.4 -18.4 24.4 15.5 3 78 A T S S+ 0 0 58 334,-0.1 2,-0.4 1,-0.1 -1,-0.1 0.858 128.2 32.3 -59.3 -36.5 -15.5 24.9 13.0 4 79 A Y S S- 0 0 63 333,-0.1 -1,-0.1 335,-0.0 3,-0.0 -0.937 92.4-104.5-123.9 142.5 -13.0 23.0 15.2 5 80 A R - 0 0 181 -2,-0.4 2,-0.6 1,-0.1 -3,-0.1 -0.336 46.0-100.8 -57.1 143.3 -13.6 20.0 17.6 6 81 A K + 0 0 117 -5,-0.3 2,-0.4 -4,-0.0 -1,-0.1 -0.625 49.9 179.4 -69.7 115.8 -13.5 21.0 21.3 7 82 A V - 0 0 67 -2,-0.6 343,-0.1 -3,-0.0 -3,-0.0 -0.952 25.1-121.1-121.2 140.4 -10.0 20.0 22.5 8 83 A D - 0 0 65 -2,-0.4 338,-0.1 1,-0.1 3,-0.1 -0.435 38.4 -89.6 -78.9 155.1 -8.8 20.5 26.1 9 84 A P - 0 0 12 0, 0.0 338,-0.1 0, 0.0 -1,-0.1 -0.262 56.7 -90.1 -55.3 151.3 -5.7 22.7 26.9 10 85 A P - 0 0 9 0, 0.0 2,-0.1 0, 0.0 -3,-0.0 -0.362 38.1-134.1 -65.6 140.9 -2.4 20.7 27.0 11 86 A D > - 0 0 17 -3,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.268 37.1 -90.1 -78.8-178.9 -1.3 19.2 30.2 12 87 A V H > S+ 0 0 30 201,-2.4 4,-2.0 1,-0.2 5,-0.1 0.881 129.0 52.5 -60.8 -38.3 2.3 19.5 31.5 13 88 A E H > S+ 0 0 57 200,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.910 112.7 42.2 -63.3 -46.9 3.2 16.3 29.7 14 89 A Q H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.921 113.4 52.1 -70.2 -45.6 1.8 17.4 26.3 15 90 A L H X S+ 0 0 6 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.891 110.5 52.1 -50.1 -46.0 3.2 21.0 26.6 16 91 A G H X S+ 0 0 11 -4,-2.0 4,-2.7 -5,-0.2 5,-0.3 0.954 109.6 43.9 -60.4 -56.2 6.6 19.3 27.3 17 92 A R H X S+ 0 0 126 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.875 115.8 49.7 -62.5 -35.8 6.8 17.0 24.3 18 93 A S H X S+ 0 0 16 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.897 112.6 48.2 -63.7 -41.0 5.5 19.8 22.1 19 94 A S H X S+ 0 0 2 -4,-2.1 4,-2.9 -5,-0.2 -2,-0.2 0.866 108.0 51.4 -74.6 -39.2 8.1 22.2 23.5 20 95 A W H X S+ 0 0 39 -4,-2.7 4,-3.1 2,-0.2 5,-0.4 0.902 106.3 57.4 -60.4 -41.3 11.1 19.8 23.2 21 96 A T H X S+ 0 0 15 -4,-1.6 4,-1.7 -5,-0.3 -2,-0.2 0.951 111.7 41.5 -52.7 -49.5 10.1 19.3 19.5 22 97 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.957 116.2 49.2 -62.1 -52.1 10.4 23.1 19.0 23 98 A L H X S+ 0 0 4 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.917 115.1 41.8 -54.6 -50.5 13.7 23.4 21.1 24 99 A H H X S+ 0 0 3 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.839 114.4 52.9 -69.8 -31.9 15.6 20.6 19.4 25 100 A S H X S+ 0 0 9 -4,-1.7 4,-1.2 -5,-0.4 -2,-0.2 0.858 106.8 52.1 -70.9 -37.1 14.3 21.7 16.0 26 101 A V H < S+ 0 0 5 -4,-2.5 4,-0.4 2,-0.2 -2,-0.2 0.897 112.9 45.8 -60.6 -43.3 15.6 25.2 16.6 27 102 A A H >< S+ 0 0 0 -4,-1.8 3,-1.1 -5,-0.2 53,-0.2 0.901 108.2 56.4 -67.0 -41.5 19.0 23.8 17.5 28 103 A A H 3< S+ 0 0 11 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.762 112.3 41.8 -64.9 -24.6 19.0 21.4 14.5 29 104 A S T 3< S+ 0 0 65 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.354 87.7 113.0-104.9 5.7 18.5 24.4 12.1 30 105 A Y S < S- 0 0 9 -3,-1.1 46,-0.1 -4,-0.4 50,-0.1 -0.509 78.6 -97.5 -67.0 143.4 21.0 26.7 13.9 31 106 A P - 0 0 37 0, 0.0 45,-0.8 0, 0.0 -1,-0.1 -0.252 11.9-132.5 -64.2 152.4 24.1 27.4 11.7 32 107 A A S S+ 0 0 53 1,-0.3 46,-0.1 43,-0.2 45,-0.1 0.816 112.4 30.2 -66.2 -32.9 27.3 25.5 12.0 33 108 A Q S S- 0 0 183 42,-0.1 -1,-0.3 43,-0.0 42,-0.1 -0.716 90.5-168.7-128.1 81.5 28.9 28.9 11.9 34 109 A P - 0 0 14 0, 0.0 2,-0.1 0, 0.0 -4,-0.0 -0.296 21.5-114.3 -71.9 154.5 26.4 31.4 13.5 35 110 A T > - 0 0 78 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.311 31.9-104.8 -72.9 166.1 26.8 35.2 13.3 36 111 A D H > S+ 0 0 134 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.918 125.9 52.5 -54.7 -44.6 27.4 37.2 16.5 37 112 A Q H > S+ 0 0 125 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.904 107.9 50.2 -59.6 -44.0 23.7 38.3 16.2 38 113 A Q H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.886 110.8 49.3 -62.7 -40.5 22.6 34.6 15.9 39 114 A K H X S+ 0 0 40 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.943 114.6 44.8 -59.9 -49.1 24.6 33.7 19.1 40 115 A G H X S+ 0 0 34 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.863 112.7 50.0 -65.7 -40.3 23.2 36.6 21.0 41 116 A E H X S+ 0 0 30 -4,-2.5 4,-3.2 2,-0.2 -1,-0.2 0.860 109.5 52.3 -68.2 -35.0 19.6 36.0 19.9 42 117 A M H X S+ 0 0 3 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.949 111.1 46.0 -66.2 -48.3 19.8 32.3 20.8 43 118 A K H X S+ 0 0 100 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.907 116.3 46.4 -56.0 -46.3 21.1 33.2 24.4 44 119 A Q H X S+ 0 0 75 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.923 111.0 53.0 -61.8 -47.9 18.3 35.8 24.6 45 120 A F H X S+ 0 0 1 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.936 112.3 43.8 -52.6 -51.6 15.7 33.3 23.2 46 121 A L H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.843 112.0 53.0 -68.7 -34.4 16.6 30.7 25.8 47 122 A N H X S+ 0 0 71 -4,-2.1 4,-0.7 -5,-0.2 -2,-0.2 0.946 114.5 41.3 -63.0 -49.6 16.7 33.2 28.7 48 123 A I H >X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 3,-1.2 0.917 111.0 56.9 -65.7 -41.7 13.2 34.5 27.9 49 124 A F H 3X S+ 0 0 6 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.921 104.2 54.4 -53.5 -42.4 11.9 31.0 27.2 50 125 A S H 3< S+ 0 0 1 -4,-1.8 13,-0.4 1,-0.2 -1,-0.3 0.732 111.7 44.8 -67.8 -21.0 13.1 30.1 30.7 51 126 A H H << S+ 0 0 84 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.840 122.8 32.7 -85.5 -39.1 11.0 33.0 32.1 52 127 A I H < S+ 0 0 33 -4,-2.4 -2,-0.2 7,-0.1 -3,-0.2 0.537 74.8 128.7-102.3 -9.4 7.8 32.4 30.1 53 128 A Y < - 0 0 25 -4,-2.3 2,-1.9 -5,-0.3 6,-0.3 -0.299 66.9-122.9 -53.7 122.1 7.6 28.6 29.7 54 129 A P S S+ 0 0 24 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.132 89.3 79.6 -77.3 44.9 4.0 27.9 30.9 55 130 A a S > S- 0 0 5 -2,-1.9 4,-2.6 1,-0.1 5,-0.2 -0.922 71.9-147.9-139.2 120.3 4.8 25.4 33.7 56 131 A N H > S+ 0 0 134 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.914 93.9 34.4 -60.1 -55.4 6.0 27.2 36.8 57 132 A W H > S+ 0 0 79 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.828 116.5 56.6 -70.8 -32.9 8.4 24.7 38.3 58 133 A a H > S+ 0 0 32 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.944 113.0 41.3 -59.7 -47.0 9.5 23.5 34.9 59 134 A A H X S+ 0 0 5 -4,-2.6 4,-2.7 -6,-0.3 -2,-0.2 0.916 113.5 51.9 -68.6 -47.7 10.5 27.1 34.0 60 135 A K H X S+ 0 0 123 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.916 113.2 45.1 -56.6 -47.3 12.0 27.9 37.4 61 136 A D H X S+ 0 0 88 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.861 112.3 51.4 -62.7 -41.2 14.2 24.8 37.2 62 137 A F H X S+ 0 0 18 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.868 107.7 52.8 -68.6 -35.8 15.2 25.5 33.6 63 138 A E H X S+ 0 0 54 -4,-2.7 4,-2.3 -13,-0.4 -2,-0.2 0.942 110.9 47.1 -61.6 -46.5 16.2 29.1 34.6 64 139 A K H X S+ 0 0 106 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.891 110.2 53.4 -60.9 -41.3 18.4 27.7 37.3 65 140 A Y H X S+ 0 0 29 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.926 109.9 46.7 -59.4 -50.6 19.9 25.1 34.8 66 141 A I H < S+ 0 0 13 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.898 109.9 54.4 -56.7 -43.1 20.8 27.9 32.3 67 142 A R H < S+ 0 0 155 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.874 118.4 35.0 -59.3 -34.6 22.3 30.0 35.2 68 143 A E H < S+ 0 0 123 -4,-1.7 2,-0.2 1,-0.2 -1,-0.2 0.635 127.7 36.3 -96.6 -18.1 24.5 27.0 36.1 69 144 A N S < S- 0 0 65 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.1 -0.706 85.0-145.1-138.2 81.3 25.1 25.7 32.6 70 145 A A - 0 0 61 -3,-0.3 -3,-0.1 -2,-0.2 -4,-0.1 -0.153 31.1 -99.7 -52.0 132.0 25.4 28.5 30.1 71 146 A P - 0 0 17 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.264 31.3-134.1 -49.3 138.2 24.0 27.7 26.7 72 147 A Q + 0 0 95 6,-0.3 10,-0.3 7,-0.1 3,-0.2 -0.897 38.5 159.5-104.0 106.7 26.7 26.7 24.2 73 148 A V + 0 0 1 -2,-0.7 -1,-0.1 1,-0.1 -31,-0.1 0.153 35.4 107.5-120.5 17.6 26.0 28.6 21.0 74 149 A E S S- 0 0 91 1,-0.1 2,-0.3 -41,-0.1 -1,-0.1 0.650 95.3 -5.4 -73.2 -15.5 29.2 28.7 19.1 75 150 A S S > S- 0 0 19 -3,-0.2 4,-2.3 -42,-0.1 -43,-0.2 -0.956 73.7-101.3-167.4 161.7 27.9 26.1 16.6 76 151 A R H > S+ 0 0 61 -45,-0.8 4,-3.1 -2,-0.3 5,-0.2 0.879 120.1 56.8 -56.3 -43.3 24.9 23.9 15.9 77 152 A E H > S+ 0 0 158 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 110.7 43.6 -57.6 -45.1 26.9 20.8 17.2 78 153 A E H > S+ 0 0 74 2,-0.2 4,-2.5 1,-0.2 -6,-0.3 0.901 115.2 47.7 -66.9 -41.9 27.5 22.6 20.5 79 154 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.889 111.1 51.1 -68.0 -44.0 23.9 23.9 20.8 80 155 A G H X S+ 0 0 0 -4,-3.1 4,-1.9 -53,-0.2 -1,-0.2 0.889 112.8 46.3 -55.8 -45.4 22.4 20.4 19.9 81 156 A R H X S+ 0 0 99 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.897 111.7 51.6 -64.0 -43.4 24.6 18.8 22.6 82 157 A W H X S+ 0 0 7 -4,-2.5 4,-2.3 -10,-0.3 -2,-0.2 0.919 111.6 46.9 -59.0 -44.9 23.7 21.5 25.1 83 158 A M H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.867 111.2 51.7 -65.5 -39.9 19.9 20.9 24.4 84 159 A b H X S+ 0 0 4 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.911 111.7 46.0 -62.4 -45.1 20.4 17.2 24.7 85 160 A E H X S+ 0 0 88 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.875 112.5 50.9 -66.6 -38.4 22.1 17.5 28.1 86 161 A A H X S+ 0 0 1 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.926 112.3 46.6 -62.9 -44.4 19.4 20.0 29.3 87 162 A H H X S+ 0 0 41 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.909 110.0 54.5 -63.9 -43.3 16.7 17.5 28.2 88 163 A N H X S+ 0 0 18 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.800 100.7 58.9 -60.5 -32.0 18.6 14.7 29.9 89 164 A K H X S+ 0 0 129 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.931 110.2 43.5 -61.3 -44.7 18.7 16.7 33.2 90 165 A V H X S+ 0 0 48 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.925 110.3 55.1 -65.5 -45.5 14.8 16.7 33.1 91 166 A N H <>S+ 0 0 7 -4,-2.7 5,-2.7 1,-0.2 4,-0.4 0.893 106.9 52.3 -51.1 -43.5 14.7 13.0 32.0 92 167 A K H ><5S+ 0 0 164 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.914 109.2 48.7 -63.1 -42.6 16.8 12.2 35.2 93 168 A K H 3<5S+ 0 0 69 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.899 114.6 45.3 -57.7 -44.2 14.3 14.1 37.4 94 169 A L T 3<5S- 0 0 48 -4,-2.3 37,-2.6 -5,-0.1 38,-0.3 0.327 114.0-114.3 -88.6 5.9 11.4 12.3 35.9 95 170 A R T < 5 + 0 0 125 -3,-1.0 -3,-0.2 -4,-0.4 -4,-0.1 0.763 67.9 144.8 61.0 29.9 13.0 8.8 36.0 96 171 A K < - 0 0 55 -5,-2.7 -1,-0.2 -6,-0.2 3,-0.1 -0.641 57.7 -91.8 -85.8 152.5 13.1 8.6 32.2 97 172 A P - 0 0 34 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.295 44.1-100.2 -63.8 149.8 16.1 6.8 30.5 98 173 A K - 0 0 179 -7,-0.1 2,-0.4 -3,-0.1 -10,-0.0 -0.558 34.9-134.3 -69.9 130.0 19.1 8.9 29.5 99 174 A F - 0 0 23 -2,-0.3 2,-0.8 -15,-0.2 -11,-0.1 -0.760 19.8-118.5 -85.7 132.8 19.1 9.7 25.8 100 175 A D > - 0 0 75 -2,-0.4 3,-2.7 1,-0.2 4,-0.1 -0.633 18.1-152.7 -76.7 110.3 22.4 9.1 24.0 101 176 A b G > S+ 0 0 14 -2,-0.8 3,-1.0 1,-0.3 4,-0.4 0.597 88.1 76.6 -67.1 -10.9 23.4 12.5 22.7 102 177 A N G 3 S+ 0 0 114 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.659 98.0 48.3 -68.2 -15.3 25.4 10.9 19.9 103 178 A F G <> S+ 0 0 31 -3,-2.7 4,-2.4 1,-0.1 -1,-0.2 0.352 81.0 99.9-104.6 5.7 22.0 10.3 18.3 104 179 A W H <> S+ 0 0 14 -3,-1.0 4,-2.1 1,-0.2 5,-0.3 0.925 83.7 48.6 -53.0 -47.5 20.7 13.8 18.8 105 180 A E H >>S+ 0 0 81 -4,-0.4 5,-2.5 1,-0.2 4,-2.1 0.877 111.5 47.4 -69.0 -38.2 21.4 14.7 15.2 106 181 A K H 4>S+ 0 0 87 -4,-0.2 5,-1.9 4,-0.2 -1,-0.2 0.947 115.4 46.9 -64.4 -44.2 19.7 11.7 13.7 107 182 A R H <5S+ 0 0 41 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.830 129.1 20.3 -66.3 -35.1 16.6 12.2 15.8 108 183 A W H <5S+ 0 0 24 -4,-2.1 -3,-0.2 -5,-0.2 -1,-0.2 0.548 135.9 15.7-119.2 -11.0 16.2 15.9 15.2 109 184 A K T <5S+ 0 0 70 -4,-2.1 -3,-0.2 -5,-0.3 -4,-0.1 0.684 124.5 23.9-125.2 -60.1 18.1 16.8 12.0 110 185 A D T S- 0 0 86 6,-1.4 3,-2.7 1,-0.1 6,-0.1 -0.089 94.3 -94.8 -41.2 125.0 17.3 -10.2 29.2 118 74 B P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.168 109.1 8.9 -47.6 127.2 20.3 -12.5 29.3 119 75 B G T 3 S+ 0 0 69 1,-0.2 2,-0.4 -3,-0.2 -2,-0.1 0.448 106.8 114.2 79.8 0.3 19.3 -16.1 29.6 120 76 B S < - 0 0 26 -3,-2.7 -1,-0.2 3,-0.2 0, 0.0 -0.857 45.7-172.3-108.1 142.4 15.6 -15.3 29.0 121 77 B R S S+ 0 0 212 -2,-0.4 -1,-0.1 -3,-0.1 3,-0.1 0.385 91.5 25.3-103.6 -3.7 13.4 -16.2 26.1 122 78 B T S S+ 0 0 103 1,-0.1 2,-0.7 -5,-0.1 -6,-0.1 0.691 97.2 82.8-127.2 -32.8 10.5 -14.0 27.2 123 79 B Y - 0 0 160 -6,-0.1 -6,-1.4 -8,-0.1 -3,-0.2 -0.673 62.0-156.6 -84.9 114.1 11.5 -11.1 29.4 124 80 B R - 0 0 155 -2,-0.7 2,-1.4 -9,-0.2 -3,-0.0 -0.479 34.7 -93.7 -79.5 157.0 12.7 -8.2 27.3 125 81 B K + 0 0 80 -2,-0.2 2,-0.4 -8,-0.0 -1,-0.1 -0.636 56.1 179.6 -70.4 96.3 15.0 -5.5 28.7 126 82 B V - 0 0 119 -2,-1.4 116,-0.1 116,-0.0 -3,-0.0 -0.832 24.8-120.4-103.7 139.8 12.3 -3.0 29.8 127 83 B D - 0 0 49 -2,-0.4 3,-0.1 114,-0.3 -31,-0.0 -0.476 36.8 -89.3 -77.3 151.8 13.4 0.2 31.5 128 84 B P - 0 0 78 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.204 57.7 -90.7 -51.0 146.9 12.2 1.2 35.0 129 85 B P - 0 0 59 0, 0.0 2,-0.1 0, 0.0 -3,-0.0 -0.330 39.0-133.2 -65.2 143.0 8.9 3.1 35.0 130 86 B D > - 0 0 33 -3,-0.1 4,-3.1 1,-0.1 5,-0.3 -0.280 36.8 -89.9 -81.3 178.0 9.1 6.9 34.8 131 87 B V H > S+ 0 0 31 -37,-2.6 4,-2.3 1,-0.2 5,-0.1 0.897 129.8 52.0 -56.5 -40.1 7.0 9.2 37.1 132 88 B E H > S+ 0 0 57 -38,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.942 113.3 41.5 -61.3 -49.4 4.2 9.1 34.5 133 89 B Q H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.921 114.5 51.4 -68.4 -44.8 4.1 5.3 34.2 134 90 B L H X S+ 0 0 29 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.921 110.2 52.4 -51.5 -48.4 4.5 4.8 38.0 135 91 B G H X S+ 0 0 11 -4,-2.3 4,-2.6 -5,-0.3 5,-0.3 0.946 109.4 45.0 -55.3 -57.3 1.6 7.3 38.4 136 92 B R H X S+ 0 0 107 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.876 115.5 48.6 -59.2 -37.4 -0.9 5.5 36.0 137 93 B S H X S+ 0 0 59 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.895 112.7 48.9 -65.4 -40.6 -0.0 2.1 37.5 138 94 B S H X S+ 0 0 17 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.850 108.1 50.9 -74.7 -36.3 -0.5 3.5 41.1 139 95 B W H X S+ 0 0 39 -4,-2.6 4,-2.8 2,-0.2 5,-0.4 0.876 106.5 58.0 -64.9 -36.4 -3.8 5.2 40.4 140 96 B T H X S+ 0 0 70 -4,-1.5 4,-1.6 -5,-0.3 -2,-0.2 0.933 111.5 41.2 -55.7 -47.3 -5.0 1.8 39.0 141 97 B L H X S+ 0 0 90 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.947 115.8 49.3 -65.1 -50.6 -4.2 0.1 42.3 142 98 B L H X S+ 0 0 4 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.903 115.1 41.8 -59.6 -48.5 -5.5 2.9 44.5 143 99 B H H X S+ 0 0 2 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.863 114.7 52.3 -67.6 -35.6 -8.9 3.3 42.7 144 100 B S H X S+ 0 0 52 -4,-1.6 4,-1.2 -5,-0.4 -2,-0.2 0.889 107.2 52.8 -66.4 -40.7 -9.2 -0.5 42.5 145 101 B V H < S+ 0 0 36 -4,-2.7 3,-0.4 2,-0.2 4,-0.2 0.932 112.6 44.5 -56.8 -47.8 -8.6 -0.7 46.3 146 102 B A H >< S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.2 53,-0.2 0.888 108.3 59.1 -60.5 -43.7 -11.4 1.8 46.9 147 103 B A H 3< S+ 0 0 13 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.725 110.7 40.5 -62.6 -26.0 -13.7 -0.0 44.4 148 104 B S T 3< S+ 0 0 100 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.283 87.6 115.7-106.8 9.9 -13.5 -3.3 46.4 149 105 B Y S < S- 0 0 9 -3,-1.2 46,-0.1 -4,-0.2 50,-0.1 -0.523 77.1 -99.5 -67.6 142.0 -13.8 -1.6 49.8 150 106 B P - 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0 0 27 -4,-2.0 2,-2.4 -5,-0.3 6,-0.3 -0.341 66.2-124.3 -53.7 119.5 5.4 6.3 47.2 173 129 B P S S+ 0 0 88 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.193 88.5 79.9 -78.0 52.7 8.5 6.3 45.0 174 130 B c S > S- 0 0 7 -2,-2.4 4,-2.8 1,-0.1 5,-0.2 -0.861 71.5-148.6-148.0 115.1 8.3 9.8 43.6 175 131 B N H > S+ 0 0 137 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.879 93.5 36.0 -58.4 -54.7 9.6 12.3 46.2 176 132 B W H > S+ 0 0 64 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.882 116.9 55.4 -66.5 -38.5 7.6 15.4 45.4 177 133 B c H > S+ 0 0 32 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.924 111.9 43.4 -56.0 -48.9 4.5 13.2 44.6 178 134 B A H X S+ 0 0 9 -4,-2.8 4,-2.7 -6,-0.3 5,-0.2 0.922 112.6 51.1 -67.0 -48.8 4.8 11.5 48.1 179 135 B K H X S+ 0 0 132 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.902 113.7 45.6 -54.2 -44.7 5.4 14.8 50.0 180 136 B D H X S+ 0 0 72 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.887 113.3 49.2 -69.0 -39.4 2.4 16.4 48.4 181 137 B F H X S+ 0 0 19 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.869 108.9 52.8 -70.4 -37.9 0.2 13.4 48.9 182 138 B E H X S+ 0 0 62 -4,-2.7 4,-1.7 -13,-0.4 -1,-0.2 0.898 111.0 46.6 -63.5 -42.5 1.2 13.2 52.6 183 139 B K H X S+ 0 0 105 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.901 109.8 55.2 -62.9 -42.6 0.2 16.8 53.1 184 140 B Y H X S+ 0 0 29 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.900 107.4 49.5 -56.4 -44.7 -3.0 16.2 51.2 185 141 B I H < S+ 0 0 10 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.893 109.4 51.4 -62.7 -41.5 -3.9 13.4 53.7 186 142 B R H < S+ 0 0 167 -4,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.866 118.1 38.2 -62.3 -37.8 -3.2 15.6 56.7 187 143 B E H < S+ 0 0 124 -4,-2.0 2,-0.3 1,-0.2 -2,-0.2 0.748 125.6 38.2 -85.9 -24.5 -5.4 18.3 55.3 188 144 B N S < S- 0 0 62 -4,-2.2 -1,-0.2 -5,-0.2 3,-0.1 -0.731 84.8-144.0-133.0 78.4 -8.1 16.0 53.9 189 145 B A - 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0 0 5 6,-2.9 3,-2.0 1,-0.2 6,-0.1 -0.375 53.3 -69.7 -74.0 156.6 17.7 3.3 18.5 238 74 C P T 3 S+ 0 0 68 0, 0.0 -1,-0.2 0, 0.0 -138,-0.1 -0.198 118.7 5.4 -51.5 130.7 21.1 1.7 19.2 239 75 C G T 3 S+ 0 0 81 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.482 107.3 107.7 78.7 5.5 21.8 1.0 22.9 240 76 C S < - 0 0 18 -3,-2.0 -1,-0.2 3,-0.2 -141,-0.1 -0.863 49.6-165.7-116.2 152.5 18.3 2.1 24.1 241 77 C R S S+ 0 0 92 -2,-0.3 -114,-0.3 -3,-0.1 -1,-0.1 0.352 92.2 23.7-111.6 -1.1 15.3 0.2 25.5 242 78 C T S S+ 0 0 57 1,-0.1 2,-0.6 -116,-0.1 -2,-0.0 0.599 97.7 86.2-132.2 -28.8 12.7 3.0 25.2 243 79 C Y - 0 0 46 -6,-0.1 -6,-2.9 -5,-0.0 2,-0.2 -0.692 60.7-159.4 -86.2 116.7 13.7 5.5 22.5 244 80 C R B -A 236 0A 134 -2,-0.6 2,-2.3 -8,-0.3 -8,-0.3 -0.524 35.0 -95.0 -88.2 160.4 12.6 4.6 19.1 245 81 C K + 0 0 65 -10,-2.6 2,-0.3 -2,-0.2 -133,-0.1 -0.529 55.9 176.9 -75.6 75.6 14.1 5.8 15.8 246 82 C V - 0 0 73 -2,-2.3 -135,-0.1 -135,-0.1 -11,-0.0 -0.663 28.5-119.1 -81.8 137.0 11.5 8.6 15.4 247 83 C D - 0 0 107 -2,-0.3 -140,-0.1 1,-0.1 3,-0.1 -0.473 37.3 -87.8 -71.7 149.9 12.1 10.8 12.3 248 84 C P - 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0 0 35 0, 0.0 45,-0.8 0, 0.0 -1,-0.1 -0.291 11.9-136.5 -66.2 150.5 -0.3 38.1 33.1 271 107 C A S S+ 0 0 55 1,-0.3 45,-0.1 43,-0.2 -2,-0.0 0.846 111.1 28.7 -61.0 -38.8 -3.6 40.0 33.0 272 108 C Q S S- 0 0 180 42,-0.1 -1,-0.3 43,-0.0 42,-0.1 -0.712 90.0-168.0-126.4 78.7 -1.4 42.9 34.2 273 109 C P - 0 0 14 0, 0.0 2,-0.1 0, 0.0 -4,-0.0 -0.296 18.7-120.6 -70.9 151.1 2.1 42.4 32.9 274 110 C T > - 0 0 81 1,-0.1 4,-2.2 4,-0.0 5,-0.1 -0.297 33.0-101.4 -75.3 170.3 5.1 44.4 34.1 275 111 C D H > S+ 0 0 137 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.856 125.1 52.1 -61.8 -38.4 7.2 46.5 31.6 276 112 C Q H > S+ 0 0 126 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.938 108.4 50.5 -64.5 -45.0 9.9 43.8 31.6 277 113 C Q H > S+ 0 0 84 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.911 112.0 47.8 -59.5 -42.1 7.2 41.1 30.7 278 114 C K H X S+ 0 0 44 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.944 114.4 46.0 -62.1 -50.7 5.9 43.3 27.9 279 115 C G H X S+ 0 0 28 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.891 113.3 48.2 -59.3 -45.8 9.4 44.0 26.5 280 116 C E H X S+ 0 0 24 -4,-3.0 4,-2.9 2,-0.2 -1,-0.2 0.863 108.3 54.8 -66.8 -35.3 10.5 40.3 26.7 281 117 C M H X S+ 0 0 4 -4,-2.0 4,-2.3 -5,-0.3 5,-0.2 0.939 109.8 46.9 -64.2 -43.4 7.3 39.1 25.0 282 118 C K H X S+ 0 0 103 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.913 115.0 46.6 -61.9 -43.6 8.0 41.4 22.1 283 119 C Q H X S+ 0 0 59 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.902 110.9 52.3 -62.3 -46.5 11.6 40.2 21.9 284 120 C F H X S+ 0 0 0 -4,-2.9 4,-3.2 2,-0.2 -2,-0.2 0.926 112.3 44.5 -57.0 -49.9 10.7 36.6 22.2 285 121 C L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.885 113.1 51.7 -66.0 -39.7 8.2 36.8 19.3 286 122 C N H X S+ 0 0 75 -4,-2.1 4,-1.0 -5,-0.2 -2,-0.2 0.953 114.8 42.2 -57.4 -50.4 10.7 38.8 17.2 287 123 C I H >X S+ 0 0 4 -4,-3.1 4,-2.2 1,-0.2 3,-0.9 0.919 110.6 56.5 -66.3 -42.8 13.4 36.2 17.8 288 124 C F H 3X S+ 0 0 6 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.905 103.9 54.3 -50.5 -45.3 10.9 33.3 17.3 289 125 C S H 3< S+ 0 0 1 -4,-2.1 13,-0.4 1,-0.2 -1,-0.2 0.749 111.6 46.4 -62.4 -27.2 10.1 34.8 13.8 290 126 C H H << S+ 0 0 76 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.853 122.6 30.8 -78.1 -40.8 13.9 34.7 13.0 291 127 C I H < S+ 0 0 31 -4,-2.2 -2,-0.2 7,-0.1 -3,-0.2 0.504 73.9 130.2-106.4 -6.8 14.6 31.2 14.2 292 128 C Y < - 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0 0 59 -2,-0.3 -3,-0.1 -3,-0.3 -4,-0.1 -0.256 30.3 -98.7 -59.5 131.9 2.3 44.4 16.1 310 146 C P - 0 0 17 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.277 31.3-135.2 -51.3 129.6 2.0 41.9 19.0 311 147 C Q + 0 0 93 6,-0.3 10,-0.3 1,-0.1 3,-0.2 -0.826 38.2 160.4 -94.2 104.6 -0.6 43.2 21.5 312 148 C V + 0 0 1 -2,-0.9 -1,-0.1 1,-0.1 -31,-0.1 0.145 36.8 105.6-117.3 17.1 1.0 42.6 24.9 313 149 C E S S- 0 0 93 1,-0.2 2,-0.3 -41,-0.1 -1,-0.1 0.699 95.1 -6.0 -74.3 -15.5 -0.8 44.9 27.3 314 150 C S S > S- 0 0 19 -3,-0.2 4,-2.6 -42,-0.1 -43,-0.2 -0.980 71.7-100.8-166.4 164.0 -2.6 41.9 28.8 315 151 C R H > S+ 0 0 69 -45,-0.8 4,-3.0 -2,-0.3 5,-0.2 0.898 120.5 55.9 -55.6 -44.9 -3.3 38.2 28.5 316 152 C E H > S+ 0 0 161 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.930 112.0 41.8 -55.8 -49.2 -6.6 38.9 26.9 317 153 C E H > S+ 0 0 77 2,-0.2 4,-2.5 1,-0.2 -6,-0.3 0.879 115.1 49.3 -66.1 -42.2 -5.0 41.0 24.1 318 154 C L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.879 110.5 51.2 -67.2 -40.5 -2.0 38.6 23.6 319 155 C G H X S+ 0 0 0 -4,-3.0 4,-2.8 -53,-0.2 -2,-0.2 0.937 112.2 46.4 -57.8 -47.3 -4.4 35.6 23.3 320 156 C R H X S+ 0 0 97 -4,-1.9 4,-2.9 -5,-0.2 5,-0.2 0.914 111.9 50.8 -64.1 -44.2 -6.5 37.4 20.7 321 157 C W H X S+ 0 0 7 -4,-2.5 4,-2.3 -10,-0.3 -1,-0.2 0.912 112.0 47.6 -58.2 -44.8 -3.3 38.5 18.8 322 158 C M H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.909 111.6 50.2 -63.8 -42.2 -2.1 34.8 18.9 323 159 C f H X S+ 0 0 3 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.944 112.2 47.4 -61.1 -46.6 -5.5 33.6 17.7 324 160 C E H X S+ 0 0 91 -4,-2.9 4,-1.5 2,-0.2 -2,-0.2 0.885 111.8 50.7 -61.1 -39.4 -5.5 36.1 14.8 325 161 C A H X S+ 0 0 2 -4,-2.3 4,-1.2 2,-0.2 3,-0.2 0.930 111.8 46.5 -64.2 -47.2 -1.9 35.2 13.9 326 162 C H H X S+ 0 0 42 -4,-2.6 4,-2.8 1,-0.2 3,-0.3 0.896 109.5 56.4 -59.3 -42.1 -2.8 31.5 13.8 327 163 C N H X S+ 0 0 18 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.826 101.1 56.8 -61.8 -30.4 -5.9 32.4 11.7 328 164 C K H X S+ 0 0 101 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.874 110.5 43.6 -68.4 -37.4 -3.7 34.1 9.1 329 165 C V H X S+ 0 0 48 -4,-1.2 4,-2.4 -3,-0.3 -2,-0.2 0.905 112.1 53.3 -72.0 -43.3 -1.8 30.8 8.6 330 166 C N H X>S+ 0 0 8 -4,-2.8 5,-2.6 2,-0.2 4,-0.6 0.940 109.6 49.8 -52.0 -47.3 -5.1 28.9 8.7 331 167 C K H ><5S+ 0 0 163 -4,-2.9 3,-1.7 1,-0.2 -2,-0.2 0.961 110.5 48.7 -55.1 -58.2 -6.3 31.3 5.9 332 168 C K H 3<5S+ 0 0 116 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.844 116.3 43.7 -45.6 -43.4 -3.1 30.7 3.9 333 169 C L H 3<5S- 0 0 90 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.409 112.2-116.6 -90.4 0.6 -3.5 26.9 4.3 334 170 C R T <<5 + 0 0 224 -3,-1.7 -3,-0.2 -4,-0.6 -2,-0.1 0.826 66.9 141.9 60.7 36.6 -7.3 26.8 3.6 335 171 C K < - 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