==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/IMMUNE SYSTEM 12-SEP-08 3EHB . COMPND 2 MOLECULE: CYTOCHROME C OXIDASE SUBUNIT 1-BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR J.KOEPKE,H.MUELLER,G.PENG . 1007 4 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36943.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 726 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 135 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 35 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 383 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.2 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 2 0 1 0 0 1 0 1 1 2 1 0 1 1 0 0 0 0 1 1 0 0 1 0 1 6 RESIDUES PER ALPHA HELIX . 1 1 1 2 0 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 PARALLEL BRIDGES PER LADDER . 6 4 2 3 6 7 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 . 2 1 3 0 1 2 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 17 A G 0 0 109 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.8 68.6 75.2 73.1 2 18 A F > - 0 0 152 1,-0.2 4,-1.7 2,-0.1 5,-0.3 -0.182 360.0-150.5 -39.9 112.5 65.0 76.2 73.9 3 19 A F H >>S+ 0 0 105 2,-0.2 5,-1.2 1,-0.2 4,-0.7 0.798 94.2 51.5 -66.7 -33.8 63.2 74.2 71.2 4 20 A T H >5S+ 0 0 80 3,-0.2 4,-0.8 1,-0.2 5,-0.2 0.955 107.1 56.2 -68.6 -49.2 60.3 76.7 70.9 5 21 A R H 45S+ 0 0 90 3,-0.1 -2,-0.2 2,-0.1 -1,-0.2 0.904 128.9 8.1 -40.5 -60.5 62.8 79.5 70.5 6 22 A W H ><5S+ 0 0 84 -4,-1.7 3,-0.7 2,-0.1 -3,-0.2 0.929 132.6 40.9 -98.8 -58.5 64.6 78.0 67.5 7 23 A F H 3<5S+ 0 0 67 -4,-0.7 -3,-0.2 -5,-0.3 -2,-0.1 0.641 119.9 44.3 -77.4 -17.7 62.8 74.9 66.2 8 24 A M T 3<> - 0 0 16 1,-0.1 4,-2.1 97,-0.1 3,-1.0 -0.768 67.1-134.6 -92.0 127.5 60.9 83.8 61.5 12 28 A H H 3> S+ 0 0 0 -2,-0.5 4,-3.1 1,-0.3 5,-0.2 0.847 104.3 53.3 -46.8 -43.3 62.9 83.7 58.2 13 29 A K H 3> S+ 0 0 11 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.854 111.5 44.5 -61.3 -43.0 66.2 84.5 60.0 14 30 A D H <> S+ 0 0 9 -3,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.858 114.9 47.8 -74.4 -33.7 65.8 81.6 62.5 15 31 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.924 107.6 55.9 -73.8 -43.0 64.7 79.2 59.8 16 32 A G H X S+ 0 0 0 -4,-3.1 4,-2.4 -5,-0.2 -2,-0.2 0.911 110.9 46.1 -43.7 -51.3 67.6 80.3 57.6 17 33 A I H X S+ 0 0 25 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.824 107.0 55.3 -65.7 -41.5 69.9 79.4 60.5 18 34 A L H X S+ 0 0 9 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.958 111.2 48.5 -58.5 -48.9 68.2 76.0 61.2 19 35 A Y H X S+ 0 0 7 -4,-2.7 4,-2.4 74,-0.2 5,-0.3 0.926 109.5 50.4 -56.5 -47.2 69.0 75.3 57.5 20 36 A L H X S+ 0 0 29 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.935 114.6 42.7 -59.0 -46.2 72.6 76.3 57.6 21 37 A F H X S+ 0 0 95 -4,-2.2 4,-1.4 2,-0.2 3,-0.2 0.957 115.6 48.0 -67.9 -44.6 73.4 74.2 60.7 22 38 A T H >X S+ 0 0 22 -4,-2.4 4,-2.4 1,-0.2 3,-1.5 0.967 111.1 51.7 -58.3 -54.6 71.5 71.1 59.5 23 39 A A H 3X S+ 0 0 3 -4,-2.4 4,-1.5 1,-0.3 -1,-0.2 0.762 110.1 50.8 -54.5 -27.9 73.1 71.3 56.0 24 40 A G H 3X S+ 0 0 28 -4,-1.3 4,-1.3 -5,-0.3 -1,-0.3 0.754 108.8 48.0 -88.2 -26.4 76.4 71.5 57.6 25 41 A I H X S+ 0 0 32 -4,-2.0 4,-3.0 1,-0.3 3,-0.9 0.945 109.8 52.4 -44.4 -53.3 81.7 58.7 53.6 34 50 A T H 3X S+ 0 0 33 -4,-2.0 4,-2.8 1,-0.3 -1,-0.3 0.792 105.9 52.1 -58.8 -36.7 84.0 60.4 51.1 35 51 A V H 3X S+ 0 0 21 -4,-2.2 4,-1.2 -3,-0.5 -1,-0.3 0.870 111.0 47.5 -69.8 -35.2 87.0 60.0 53.3 36 52 A Y H X S+ 0 0 22 -4,-3.0 4,-3.2 1,-0.2 3,-0.5 0.967 112.5 45.1 -38.5 -61.8 85.8 56.1 49.7 38 54 A R H 3X S+ 0 0 15 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.751 105.7 60.0 -65.0 -25.3 89.2 57.7 49.3 39 55 A M H 3< S+ 0 0 34 -4,-1.2 4,-0.3 -3,-0.2 -1,-0.2 0.936 112.8 38.7 -61.6 -45.5 90.7 55.4 51.9 40 56 A E H X< S+ 0 0 0 -4,-2.1 3,-0.9 -3,-0.5 -2,-0.2 0.869 114.6 53.1 -75.3 -40.8 89.7 52.5 49.7 41 57 A L H 3< S+ 0 0 0 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.647 88.6 86.6 -69.3 -6.2 90.6 54.2 46.4 42 58 A Q T 3< S+ 0 0 32 -4,-0.5 -1,-0.2 -5,-0.3 -2,-0.2 0.897 100.4 14.4 -61.7 -41.1 94.0 55.0 47.8 43 59 A H S < S- 0 0 94 -3,-0.9 4,-0.2 -4,-0.3 -1,-0.2 -0.986 83.3-111.4-139.4 140.7 95.6 51.7 46.7 44 60 A P S S+ 0 0 32 0, 0.0 417,-0.1 0, 0.0 420,-0.0 -0.188 87.7 61.8 -70.1 168.7 94.4 49.1 44.3 45 61 A G S S- 0 0 32 417,-0.2 2,-0.5 1,-0.0 -2,-0.2 0.200 98.0 -94.7 84.8 132.4 93.4 45.7 45.9 46 62 A V + 0 0 17 18,-0.2 18,-0.1 1,-0.1 415,-0.1 -0.814 51.4 161.6 -82.7 128.0 90.6 46.1 48.4 47 63 A Q + 0 0 48 -2,-0.5 12,-0.4 -4,-0.2 3,-0.1 0.477 67.8 26.4-125.9 2.5 91.5 46.6 52.0 48 64 A Y S S+ 0 0 33 1,-0.1 7,-2.6 10,-0.1 2,-2.0 0.646 104.3 62.6-136.2 -54.7 88.6 48.0 53.9 49 65 A M E S+A 54 0A 0 5,-0.2 18,-1.8 411,-0.1 2,-0.3 -0.512 73.9 163.9 -87.2 72.9 85.2 47.2 52.5 50 66 A a E > -AB 53 66A 1 -2,-2.0 3,-1.5 3,-0.5 14,-0.1 -0.655 48.7-131.3 -88.1 143.8 85.7 43.4 53.0 51 67 A L T 3 S+ 0 0 91 14,-3.9 3,-0.1 -2,-0.3 -1,-0.1 0.835 111.4 64.3 -58.8 -32.5 82.8 40.9 52.8 52 68 A E T 3 S- 0 0 97 13,-0.3 -1,-0.3 1,-0.2 2,-0.1 0.649 131.1 -61.5 -64.9 -9.4 84.2 39.5 56.1 53 69 A G E < -A 50 0A 34 -3,-1.5 -3,-0.5 12,-0.2 -1,-0.2 -0.212 60.7 -76.1 130.1 136.3 83.3 43.0 57.6 54 70 A A E -A 49 0A 68 -5,-0.2 2,-0.3 -3,-0.1 -5,-0.2 -0.295 48.4-156.5 -57.1 132.5 84.2 46.7 57.0 55 71 A R - 0 0 40 -7,-2.6 3,-0.1 1,-0.1 -1,-0.1 -0.728 24.0-162.8-108.0 164.4 87.6 47.7 58.4 56 72 A L S S+ 0 0 121 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.654 86.5 38.4-108.7 -30.9 89.0 51.0 59.6 57 73 A I S S- 0 0 131 -9,-0.1 -1,-0.3 -10,-0.0 2,-0.2 -0.930 93.4-109.4-122.4 143.4 92.6 49.9 59.5 58 74 A A - 0 0 52 -2,-0.3 2,-0.4 -3,-0.1 -10,-0.1 -0.483 27.0-166.3 -78.2 146.4 94.1 47.6 56.8 59 75 A D > - 0 0 80 -12,-0.4 3,-1.4 3,-0.2 2,-0.4 -0.846 8.9-171.9-139.8 93.4 95.1 44.0 57.8 60 76 A A T 3 S+ 0 0 116 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 0.022 82.9 59.7 -78.1 30.2 97.3 42.1 55.3 61 77 A S T 3 S+ 0 0 103 -2,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.050 94.2 67.5-143.0 15.6 97.0 38.9 57.2 62 78 A A S < S- 0 0 39 -3,-1.4 -3,-0.2 2,-0.0 -1,-0.2 -0.806 93.2-109.1-142.1 102.6 93.2 38.5 57.1 63 79 A E - 0 0 153 -2,-0.3 2,-0.5 -3,-0.1 -11,-0.1 0.117 27.5-157.9 -16.8 124.4 91.6 37.8 53.8 64 80 A a - 0 0 31 -18,-0.1 -18,-0.2 -13,-0.1 -1,-0.1 -0.946 4.0-161.7-118.2 103.5 89.6 40.8 52.6 65 81 A T - 0 0 52 -2,-0.5 -14,-3.9 1,-0.1 -13,-0.3 -0.806 33.3-105.8 -88.7 122.4 87.0 39.6 50.1 66 82 A P B -B 50 0A 47 0, 0.0 2,-0.4 0, 0.0 -16,-0.2 -0.046 29.1-162.0 -53.0 139.2 85.8 42.7 48.1 67 83 A N >> + 0 0 9 -18,-1.8 3,-2.1 1,-0.1 4,-1.3 -0.678 15.2 172.6-124.9 77.6 82.4 43.9 49.0 68 84 A G H 3> S+ 0 0 1 684,-0.4 4,-2.3 -2,-0.4 5,-0.1 0.636 73.1 70.5 -65.7 -16.2 81.2 46.1 46.1 69 85 A H H 3> S+ 0 0 4 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.826 100.9 45.2 -67.7 -32.1 77.8 46.4 47.7 70 86 A L H X> S+ 0 0 36 -3,-2.1 4,-2.7 2,-0.2 3,-0.8 0.954 111.8 51.9 -73.8 -46.6 79.2 48.6 50.4 71 87 A W H 3X S+ 0 0 0 -4,-1.3 4,-2.2 1,-0.3 5,-0.2 0.934 110.2 49.3 -49.7 -48.1 81.2 50.7 47.9 72 88 A N H 3X S+ 0 0 6 -4,-2.3 4,-1.7 1,-0.3 75,-0.6 0.751 110.8 50.3 -70.1 -26.8 78.1 51.2 45.9 73 89 A V H S+ 0 0 12 -4,-1.9 4,-1.9 -5,-0.2 5,-0.5 0.945 114.6 45.5 -68.6 -40.0 72.1 61.6 47.4 81 97 A L H X5S+ 0 0 14 -4,-2.8 4,-2.4 2,-0.2 5,-0.4 0.976 114.5 46.6 -63.2 -56.9 73.0 63.5 50.6 82 98 A M H X>S+ 0 0 41 -4,-2.6 5,-1.4 -5,-0.2 4,-0.9 0.901 119.2 41.4 -45.8 -49.0 75.1 66.2 48.7 83 99 A M H <5S+ 0 0 11 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.671 130.2 18.6 -84.1 -27.5 72.4 66.7 46.1 84 100 A F H <5S+ 0 0 15 -4,-1.9 -3,-0.2 -3,-0.3 -1,-0.2 0.604 133.5 32.6-112.1 -22.7 69.2 66.7 48.0 85 101 A F H <>S+ 0 0 20 -6,-0.5 4,-2.7 1,-0.2 5,-1.5 0.933 114.3 48.8 -75.4 -45.3 70.7 73.4 48.2 89 105 A P H 4>S+ 0 0 11 0, 0.0 5,-1.4 0, 0.0 -1,-0.2 0.906 114.7 47.5 -51.0 -40.7 69.4 73.4 51.8 90 106 A A H X>S+ 0 0 7 -4,-2.5 5,-2.1 3,-0.2 4,-0.6 0.993 124.0 29.0 -65.7 -55.6 72.5 75.5 52.8 91 107 A L H <>S+ 0 0 1 -4,-2.6 5,-1.4 3,-0.2 -3,-0.2 0.797 132.3 27.7 -78.9 -39.7 72.2 78.1 49.9 92 108 A F T <>S+ 0 0 9 -4,-2.7 5,-0.6 -5,-0.3 -1,-0.1 0.879 132.6 31.7 -92.3 -47.5 68.5 78.3 49.1 93 109 A G T 4XS+ 0 0 0 -5,-2.1 4,-3.2 1,-0.2 5,-0.7 0.935 126.6 55.2 -59.7 -45.5 70.9 82.0 52.9 96 112 A G H >>S+ 0 0 0 0, 0.0 5,-2.3 0, 0.0 4,-1.8 0.947 114.0 50.4 -63.5 -47.7 63.7 89.3 52.7 102 118 A L H <5S+ 0 0 0 -4,-0.5 -2,-0.2 1,-0.2 412,-0.2 0.858 110.5 51.6 -44.6 -43.2 66.4 91.5 54.1 103 119 A H H <5S+ 0 0 1 -4,-2.7 411,-0.2 1,-0.2 -1,-0.2 0.780 116.0 37.3 -76.5 -29.3 67.4 92.2 50.5 104 120 A I H <5S- 0 0 0 -4,-1.4 89,-2.5 -3,-0.4 -1,-0.2 0.516 112.9-115.6 -98.0 -6.4 64.0 93.2 49.3 105 121 A G T <5 + 0 0 12 -4,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.792 66.4 141.9 80.2 30.1 63.1 95.0 52.6 106 122 A A < - 0 0 1 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.750 53.2-134.9 -98.0 145.3 60.3 92.6 53.6 107 123 A P S S- 0 0 57 0, 0.0 419,-0.4 0, 0.0 2,-0.3 0.824 75.6 -23.1 -75.1 -22.2 59.9 91.8 57.2 108 124 A D S S- 0 0 34 83,-0.1 2,-0.2 -7,-0.1 -97,-0.1 -0.901 85.5 -63.3-165.6-173.7 59.3 88.0 56.7 109 125 A M - 0 0 3 -2,-0.3 75,-0.1 1,-0.1 -97,-0.1 -0.536 51.0-108.0 -85.7 157.4 58.2 85.5 54.1 110 126 A A S S+ 0 0 29 73,-0.4 -1,-0.1 1,-0.2 73,-0.1 0.873 113.1 28.4 -48.7 -40.4 54.7 85.7 52.8 111 127 A F > + 0 0 84 1,-0.1 4,-1.8 2,-0.1 -1,-0.2 -0.768 63.1 179.5-132.0 85.1 53.7 82.5 54.7 112 128 A P H > S+ 0 0 37 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.720 82.8 60.8 -57.6 -25.0 55.8 81.9 57.9 113 129 A R H > S+ 0 0 191 2,-0.2 4,-2.5 1,-0.2 3,-0.4 0.990 106.2 43.5 -62.5 -59.9 53.9 78.7 58.5 114 130 A L H > S+ 0 0 31 1,-0.3 4,-3.3 2,-0.2 -1,-0.2 0.865 110.3 57.0 -57.4 -37.8 54.9 77.1 55.3 115 131 A D H X S+ 0 0 2 -4,-1.8 4,-1.1 1,-0.2 -1,-0.3 0.900 110.5 43.6 -62.1 -41.0 58.5 78.3 55.8 116 132 A N H X S+ 0 0 25 -4,-1.8 4,-1.6 -3,-0.4 3,-0.3 0.916 114.1 51.1 -70.5 -37.7 58.6 76.5 59.2 117 133 A L H X S+ 0 0 71 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.939 104.0 59.0 -59.9 -47.1 56.9 73.4 57.6 118 134 A S H X S+ 0 0 0 -4,-3.3 4,-1.4 1,-0.2 -1,-0.2 0.787 104.6 49.9 -53.4 -36.2 59.5 73.4 54.8 119 135 A Y H X S+ 0 0 10 -4,-1.1 4,-1.9 -3,-0.3 -1,-0.2 0.887 110.2 48.7 -75.7 -39.2 62.4 73.0 57.3 120 136 A W H X S+ 0 0 77 -4,-1.6 4,-2.7 -3,-0.2 -2,-0.2 0.937 107.8 56.2 -66.5 -42.2 60.7 70.1 59.2 121 137 A M H X S+ 0 0 43 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.908 106.5 51.0 -44.7 -48.3 60.1 68.5 55.8 122 138 A Y H X S+ 0 0 3 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.906 109.2 50.0 -62.8 -42.1 63.9 68.7 55.2 123 139 A V H X S+ 0 0 42 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.924 111.2 48.3 -63.0 -42.3 64.5 67.0 58.5 124 140 A C H X S+ 0 0 62 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.924 108.7 53.9 -58.4 -50.6 62.1 64.2 57.7 125 141 A G H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.911 110.2 48.3 -51.7 -46.8 63.7 63.8 54.3 126 142 A V H X S+ 0 0 23 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.892 110.3 50.7 -63.2 -44.0 67.1 63.4 56.1 127 143 A A H X S+ 0 0 59 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.915 111.1 49.6 -58.8 -42.6 65.6 60.9 58.6 128 144 A L H X S+ 0 0 43 -4,-3.0 4,-3.3 2,-0.2 -2,-0.2 0.915 107.5 52.9 -67.7 -37.0 64.2 58.8 55.7 129 145 A G H X S+ 0 0 5 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.922 112.6 45.1 -63.6 -48.1 67.5 58.8 53.8 130 146 A V H X S+ 0 0 70 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.875 110.2 53.3 -52.9 -48.6 69.2 57.5 57.0 131 147 A A H >X S+ 0 0 41 -4,-2.9 4,-1.6 1,-0.2 3,-1.6 0.993 110.9 49.9 -53.1 -58.7 66.3 55.0 57.4 132 148 A S H 3< S+ 0 0 0 -4,-3.3 11,-0.5 1,-0.3 3,-0.4 0.847 107.5 51.9 -38.0 -53.1 67.1 53.9 53.8 133 149 A L H 3< S+ 0 0 44 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.768 117.3 39.3 -62.0 -29.3 70.9 53.5 54.4 134 150 A L H << S+ 0 0 100 -3,-1.6 -1,-0.2 -4,-1.4 -2,-0.2 0.565 98.6 93.3-100.2 -14.9 70.2 51.3 57.4 135 151 A A S < S- 0 0 9 -4,-1.6 8,-2.7 -3,-0.4 2,-0.3 -0.269 93.6 -74.0 -74.1 160.0 67.3 49.3 56.0 136 152 A P B +C 142 0B 64 0, 0.0 26,-1.8 0, 0.0 25,-1.6 -0.466 61.3 164.1 -50.4 114.6 67.6 45.9 54.1 137 153 A G - 0 0 6 4,-3.4 3,-0.5 1,-0.4 7,-0.2 -0.097 43.1 -42.8-110.5-142.3 69.0 46.4 50.6 138 154 A G S > S+ 0 0 5 5,-0.7 3,-2.0 1,-0.2 -1,-0.4 -0.339 114.3 29.7 -85.0 172.7 70.5 43.9 48.2 139 155 A N T 3 S- 0 0 80 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.738 127.6 -71.1 58.1 29.3 72.9 41.0 48.8 140 156 A D T 3 S+ 0 0 169 -3,-0.5 -1,-0.3 1,-0.2 2,-0.3 0.857 109.3 115.3 54.4 38.9 71.5 40.7 52.3 141 157 A Q S < S- 0 0 48 -3,-2.0 -4,-3.4 2,-0.1 2,-0.3 -0.803 70.7 -93.6-127.3 169.3 73.2 43.9 53.3 142 158 A M B S+C 136 0B 113 -2,-0.3 -8,-0.1 -6,-0.2 -9,-0.1 -0.634 79.1 22.1 -78.1 145.3 72.0 47.3 54.4 143 159 A G S S- 0 0 0 -8,-2.7 -5,-0.7 -11,-0.5 2,-0.3 0.261 81.7 -81.8 95.8 145.7 71.4 50.2 52.0 144 160 A S - 0 0 1 -7,-0.2 3,-0.1 18,-0.2 -68,-0.1 -0.692 28.2-167.7 -79.8 140.4 70.8 50.8 48.2 145 161 A G + 0 0 4 -2,-0.3 606,-0.2 1,-0.1 -72,-0.1 -0.192 50.8 116.3-116.3 42.1 73.9 50.7 46.0 146 162 A V S >S- 0 0 6 1,-0.2 5,-0.6 -73,-0.1 3,-0.2 0.237 79.3 -99.4 -97.2 7.7 72.2 52.1 42.9 147 163 A G T > 5 - 0 0 0 -75,-0.6 3,-1.6 1,-0.2 -1,-0.2 0.180 47.8 -78.0 82.1 154.4 73.9 55.5 42.1 148 164 A W T 3 5S+ 0 0 33 1,-0.3 -1,-0.2 -73,-0.1 -72,-0.0 0.631 128.8 53.1 -69.3 -14.7 72.3 58.8 43.2 149 165 A V T 3 5S- 0 0 8 -3,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.352 100.8-130.4-105.6 9.0 69.8 58.9 40.3 150 166 A L T < 5 - 0 0 7 -3,-1.6 -3,-0.1 1,-0.2 -2,-0.1 0.859 26.7-160.3 57.5 42.4 68.3 55.4 40.9 151 167 A Y >< - 0 0 28 -5,-0.6 4,-1.4 4,-0.1 -1,-0.2 -0.416 21.0-107.0 -58.6 130.2 68.5 53.9 37.3 152 168 A P T 4 S+ 0 0 2 0, 0.0 100,-0.1 0, 0.0 557,-0.0 -0.539 92.7 35.8 -83.6 157.8 66.2 50.9 36.6 153 169 A P T > S+ 0 0 13 0, 0.0 4,-1.2 0, 0.0 5,-0.2 -0.998 125.2 49.0 -77.3 -12.2 66.1 47.9 36.2 154 170 A L H > S+ 0 0 21 1,-0.2 4,-0.9 2,-0.2 -3,-0.1 0.900 119.7 39.7 -47.2 -44.1 68.9 47.9 38.8 155 171 A S H < S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.2 3,-0.2 0.883 117.1 45.6 -81.9 -36.8 66.9 50.1 41.1 156 172 A T H 4 S+ 0 0 28 1,-0.2 -1,-0.2 84,-0.1 -2,-0.2 0.544 116.4 51.0 -79.0 -8.8 63.4 48.6 40.6 157 173 A T H < S+ 0 0 87 -4,-1.2 -2,-0.2 -3,-0.1 -1,-0.2 0.562 77.5 118.7 -98.7 -21.0 65.1 45.1 41.0 158 174 A E < - 0 0 26 -4,-0.9 5,-0.1 -5,-0.2 -20,-0.1 -0.275 63.6-128.1 -63.2 144.8 67.0 45.6 44.2 159 175 A A S S+ 0 0 86 2,-0.1 -21,-0.1 4,-0.0 -1,-0.1 0.667 76.1 50.3 -68.6 -32.2 65.9 43.1 47.0 160 176 A G S S- 0 0 17 -17,-0.1 -23,-0.2 -25,-0.1 -22,-0.0 0.214 86.7-105.7 -92.7-144.1 65.1 45.1 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47.7 171 187 A H H X S+ 0 0 56 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.871 109.3 50.8 -64.3 -40.4 59.8 62.9 47.7 172 188 A V H X S+ 0 0 35 -4,-3.0 4,-2.4 2,-0.2 3,-0.3 0.981 109.1 51.3 -66.0 -46.3 60.0 64.6 51.1 173 189 A S H X S+ 0 0 5 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.929 107.3 55.5 -42.4 -54.2 63.0 66.8 49.8 174 190 A G H X S+ 0 0 10 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.887 107.4 47.6 -52.0 -44.5 60.9 67.7 46.9 175 191 A A H X S+ 0 0 40 -4,-1.8 4,-2.6 -3,-0.3 5,-0.3 0.923 111.4 50.3 -67.7 -45.7 58.1 69.0 49.1 176 192 A S H X S+ 0 0 9 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.968 113.5 46.3 -46.5 -58.6 60.5 71.0 51.3 177 193 A S H X S+ 0 0 18 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.857 114.9 46.8 -57.7 -45.7 62.0 72.6 48.1 178 194 A I H X S+ 0 0 46 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.860 111.0 49.2 -64.0 -43.2 58.6 73.4 46.6 179 195 A L H X S+ 0 0 27 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.934 112.9 52.4 -59.7 -44.1 57.2 74.9 49.8 180 196 A G H X S+ 0 0 8 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.908 109.2 46.6 -56.1 -47.7 60.4 76.9 49.8 181 197 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.783 106.5 57.3 -71.7 -32.1 60.0 78.1 46.2 182 198 A I H X S+ 0 0 65 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.902 112.4 43.0 -65.5 -45.1 56.4 79.1 46.7 183 199 A N H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -73,-0.4 0.948 112.5 50.2 -59.1 -51.3 57.4 81.4 49.5 184 200 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.917 116.9 45.6 -60.3 -35.5 60.5 82.8 47.8 185 201 A I H X S+ 0 0 13 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.913 112.6 44.8 -73.7 -47.5 58.2 83.5 44.9 186 202 A T H X S+ 0 0 43 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.893 117.2 47.5 -66.9 -41.5 55.2 85.1 46.6 187 203 A T H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.908 110.0 49.1 -65.1 -48.0 57.4 87.3 48.8 188 204 A F H < S+ 0 0 0 -4,-2.0 4,-0.3 -5,-0.3 -1,-0.2 0.849 114.9 47.1 -58.3 -41.0 59.7 88.6 46.1 189 205 A L H < S+ 0 0 89 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.904 128.3 16.7 -73.9 -39.5 56.7 89.5 43.9 190 206 A N H < S+ 0 0 116 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.142 116.8 55.7-124.6 14.7 54.5 91.3 46.5 191 207 A M < + 0 0 55 -4,-1.5 -3,-0.1 2,-0.1 -83,-0.1 0.196 66.5 126.1-142.4 21.1 56.4 92.3 49.6 192 208 A R S S- 0 0 61 -4,-0.3 -87,-0.2 1,-0.1 -88,-0.1 -0.315 71.2 -87.9 -67.0 159.0 59.4 94.4 48.4 193 209 A A > - 0 0 30 -89,-2.5 3,-2.0 1,-0.1 -1,-0.1 -0.449 49.1-100.4 -63.4 142.1 59.9 97.9 49.9 194 210 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.411 117.5 34.8 -60.4 146.0 58.0 100.7 48.1 195 211 A G T 3 S+ 0 0 74 1,-0.1 2,-1.4 -3,-0.1 -2,-0.1 0.096 91.8 109.1 85.8 -25.4 60.7 102.3 45.9 196 212 A M < - 0 0 26 -3,-2.0 2,-0.2 -92,-0.1 -1,-0.1 -0.677 51.7-177.1 -87.8 89.8 62.3 98.9 45.4 197 213 A T >> - 0 0 85 -2,-1.4 3,-3.8 1,-0.1 4,-1.0 -0.512 45.1 -96.1 -80.8 156.6 61.5 98.1 41.7 198 214 A L G >4 S+ 0 0 68 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.837 127.6 54.6 -35.3 -43.0 62.4 94.9 40.0 199 215 A F G 34 S+ 0 0 106 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.502 107.4 49.6 -85.3 7.5 65.5 96.7 38.6 200 216 A K G <4 S+ 0 0 146 -3,-3.8 -1,-0.2 2,-0.1 -2,-0.2 0.480 80.5 112.0-107.3 -14.3 66.6 97.7 42.1 201 217 A V S << S- 0 0 0 -4,-1.0 -97,-0.1 -3,-0.8 5,-0.1 -0.472 77.3-108.6 -67.3 128.9 66.3 94.3 43.8 202 218 A P > - 0 0 18 0, 0.0 4,-1.7 0, 0.0 3,-0.2 -0.118 25.7-109.1 -56.7 153.6 69.9 93.0 44.7 203 219 A L H > S+ 0 0 6 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.835 114.5 60.1 -55.3 -35.0 71.4 90.1 42.6 204 220 A F H > S+ 0 0 0 68,-0.3 4,-2.3 2,-0.2 5,-0.3 0.948 106.7 46.0 -57.1 -50.7 71.1 87.5 45.5 205 221 A A H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.869 112.8 50.7 -58.5 -47.0 67.4 87.9 45.6 206 222 A W H X S+ 0 0 20 -4,-1.7 4,-3.1 2,-0.2 -1,-0.2 0.944 110.0 49.9 -51.0 -49.5 67.2 87.6 41.9 207 223 A S H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.3 -2,-0.2 0.914 114.7 43.4 -67.0 -39.6 69.4 84.4 41.9 208 224 A V H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -1,-0.3 0.740 113.2 52.6 -73.6 -25.6 67.2 82.8 44.5 209 225 A F H X S+ 0 0 23 -4,-1.4 4,-1.3 -5,-0.3 -2,-0.2 0.904 111.3 45.8 -76.1 -43.9 64.1 84.0 42.8 210 226 A I H >X S+ 0 0 16 -4,-3.1 4,-1.7 1,-0.2 3,-0.9 0.982 111.2 54.4 -61.1 -51.3 65.2 82.5 39.5 211 227 A T H 3X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.3 -1,-0.2 0.844 103.2 55.6 -43.8 -49.5 66.1 79.2 41.3 212 228 A A H 3X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -1,-0.3 0.864 106.1 50.0 -60.9 -38.4 62.7 78.8 42.8 213 229 A W H S+ 0 0 65 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.789 107.5 53.7 -60.2 -31.5 57.2 67.5 40.0 221 237 A V H > S+ 0 0 43 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.912 109.9 45.4 -71.4 -42.9 58.9 65.9 37.0 222 238 A L H X S+ 0 0 5 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.821 108.7 58.1 -62.0 -39.1 61.3 64.1 39.4 223 239 A A H X S+ 0 0 30 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.894 107.2 48.1 -58.8 -44.5 58.3 63.2 41.6 224 240 A G H >X S+ 0 0 25 -4,-1.8 4,-2.5 2,-0.2 3,-0.5 0.989 111.0 48.5 -59.7 -59.9 56.8 61.5 38.5 225 241 A A H 3X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.3 -2,-0.2 0.885 115.1 44.7 -48.9 -49.6 60.0 59.5 37.7 226 242 A I H 3X S+ 0 0 1 -4,-2.7 4,-1.1 1,-0.2 -1,-0.3 0.832 109.9 53.6 -71.6 -27.6 60.4 58.3 41.2 227 243 A T H + 0 0 88 6,-0.1 3,-1.6 1,-0.1 6,-0.2 -0.078 39.6 137.9-130.0 41.3 56.2 47.7 34.1 239 255 A F T 3 S+ 0 0 70 1,-0.3 8,-1.5 -11,-0.2 11,-0.1 0.843 89.2 25.0 -53.6 -38.8 57.1 51.2 33.0 240 256 A F T 3 S+ 0 0 1 6,-0.3 -1,-0.3 -12,-0.2 -84,-0.1 0.148 100.3 106.4-115.3 17.5 60.8 50.4 32.8 241 257 A D X > - 0 0 61 -3,-1.6 5,-4.1 6,-0.2 3,-0.6 -0.875 49.5-164.9-105.7 113.5 60.4 46.6 32.3 242 258 A P G > 5S+ 0 0 38 0, 0.0 3,-2.8 0, 0.0 -1,-0.2 0.890 89.5 65.1 -62.8 -35.9 61.2 45.3 28.8 243 259 A A G 3 5S+ 0 0 92 1,-0.3 -5,-0.0 2,-0.1 484,-0.0 0.828 111.3 37.7 -54.5 -33.2 59.5 41.9 29.6 244 260 A G G < 5S- 0 0 38 -3,-0.6 -1,-0.3 -6,-0.2 -6,-0.1 0.207 130.4 -96.8 -99.8 13.5 56.3 44.0 29.9 245 261 A G T < 5S+ 0 0 72 -3,-2.8 2,-0.2 1,-0.2 -2,-0.1 0.710 81.8 131.4 75.6 22.9 57.2 46.3 27.0 246 262 A G < - 0 0 18 -5,-4.1 -6,-0.3 -8,-0.1 -1,-0.2 -0.465 50.7-130.9 -92.7 179.4 58.7 49.1 29.1 247 263 A D >> - 0 0 47 -8,-1.5 3,-1.3 -2,-0.2 4,-0.7 -0.985 6.2-152.7-139.4 119.2 62.0 50.9 28.4 248 264 A P H 3> S+ 0 0 1 0, 0.0 4,-0.8 0, 0.0 3,-0.2 0.730 98.5 64.1 -56.0 -28.5 64.6 51.5 31.1 249 265 A V H 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