==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2004 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/ELECTRON TRANSPORT 05-FEB-02 1KYO . COMPND 2 MOLECULE: UBIQUINOL-CYTOCHROME C REDUCTASE COMPLEX CORE . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR C.LANGE,C.HUNTE . 4460 23 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 185500.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 3037 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 496 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 14 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 19 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 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 . 241 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 497 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1558 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 55 1.2 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 17 0 14 5 11 10 11 15 5 8 4 2 4 3 4 6 4 0 6 1 0 3 2 0 3 0 5 RESIDUES PER ALPHA HELIX . 2 3 3 0 4 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 PARALLEL BRIDGES PER LADDER . 23 16 17 13 5 17 6 7 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 . 12 5 8 5 3 2 2 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 27 A A 0 0 93 0, 0.0 2,-0.1 0, 0.0 375,-0.1 0.000 360.0 360.0 360.0 -77.0 76.2 49.4 38.6 2 28 A E + 0 0 102 1,-0.1 13,-0.1 13,-0.1 373,-0.1 -0.401 360.0 166.0 77.0-148.1 78.2 50.9 41.5 3 29 A V - 0 0 41 11,-0.2 2,-0.3 -2,-0.1 12,-0.2 0.903 15.5-175.6 91.6 86.0 78.3 49.8 45.2 4 30 A T E -A 14 0A 48 10,-2.3 10,-2.2 368,-0.1 2,-0.3 -0.771 3.1-177.6-107.4 154.7 81.2 51.2 47.3 5 31 A Q E +A 13 0A 61 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.833 7.5 164.6-159.2 117.2 82.0 50.4 50.9 6 32 A L E -A 12 0A 103 6,-1.7 6,-2.0 -2,-0.3 2,-0.3 -0.996 23.7-140.3-136.6 136.0 84.7 51.6 53.3 7 33 A S E +A 11 0A 101 -2,-0.4 4,-0.2 4,-0.2 -2,-0.0 -0.693 29.5 153.9 -94.8 148.3 85.1 51.4 57.1 8 34 A N S S- 0 0 91 2,-1.2 -1,-0.1 -2,-0.3 3,-0.1 0.537 85.9 -34.1-130.9 -74.5 86.4 54.3 59.3 9 35 A G S S+ 0 0 55 167,-0.1 2,-0.1 193,-0.0 -2,-0.1 0.291 143.6 13.2-128.4 -20.4 85.2 54.3 62.9 10 36 A I S S- 0 0 62 -4,-0.1 -2,-1.2 167,-0.0 2,-0.3 -0.216 99.7 -90.1-127.4-144.0 81.9 52.9 61.7 11 37 A V E -A 7 0A 31 -4,-0.2 170,-1.8 -2,-0.1 2,-0.4 -0.920 33.1-165.7-150.3 115.3 81.0 51.4 58.2 12 38 A V E +Ab 6 181A 5 -6,-2.0 -6,-1.7 -2,-0.3 2,-0.4 -0.885 8.6 176.6-106.6 135.4 79.7 53.4 55.3 13 39 A A E +Ab 5 182A 1 168,-2.3 170,-1.5 -2,-0.4 2,-0.3 -0.999 6.0 167.5-139.1 136.8 78.1 51.9 52.1 14 40 A T E -Ab 4 183A 1 -10,-2.2 -10,-2.3 -2,-0.4 2,-0.3 -0.965 23.0-170.9-146.8 165.9 76.6 53.6 49.1 15 41 A E E - b 0 184A 23 168,-1.6 170,-0.8 -2,-0.3 2,-0.4 -0.828 20.3-170.5-159.1 104.6 75.3 53.1 45.6 16 42 A H E + b 0 185A 40 -2,-0.3 170,-0.2 168,-0.2 173,-0.1 -0.884 13.4 177.3-112.2 141.4 74.4 56.2 43.6 17 43 A N - 0 0 64 168,-2.1 2,-0.3 -2,-0.4 170,-0.1 -0.929 44.6-108.4-139.2 107.4 72.6 56.5 40.3 18 44 A P S S+ 0 0 118 0, 0.0 168,-0.2 0, 0.0 -2,-0.0 -0.108 70.2 133.6 -41.2 92.3 71.9 60.1 39.0 19 45 A A S S- 0 0 54 2,-0.3 3,-0.1 -2,-0.3 167,-0.1 0.456 70.4 -78.4-110.6-110.2 68.2 60.0 39.5 20 46 A H S S+ 0 0 55 1,-0.3 2,-0.3 334,-0.0 166,-0.1 0.526 98.7 33.1-138.1 -28.1 66.1 62.8 41.1 21 47 A T - 0 0 0 61,-0.2 2,-0.4 62,-0.1 -1,-0.3 -0.811 61.1-137.1-131.1 170.5 66.5 62.6 44.9 22 48 A A E -C 81 0A 0 59,-2.8 59,-2.8 -2,-0.3 2,-0.4 -0.998 17.5-168.0-132.3 129.8 69.1 61.6 47.5 23 49 A S E -CD 80 184A 0 161,-3.4 161,-2.9 -2,-0.4 2,-0.4 -0.972 4.1-175.6-126.0 131.0 68.4 59.5 50.6 24 50 A V E +CD 79 183A 6 55,-3.6 55,-3.7 -2,-0.4 2,-0.3 -0.964 15.1 150.3-125.5 138.2 70.6 58.9 53.7 25 51 A G E -CD 78 182A 2 157,-2.9 157,-3.9 -2,-0.4 2,-0.5 -0.996 40.4-115.9-163.4 159.6 70.0 56.7 56.6 26 52 A V E -CD 77 181A 18 51,-2.0 51,-1.9 -2,-0.3 2,-0.6 -0.890 24.5-161.7-104.7 122.6 71.4 54.5 59.4 27 53 A V E -CD 76 180A 0 153,-3.0 153,-1.9 -2,-0.5 2,-0.4 -0.922 7.0-153.8-107.4 118.4 70.6 50.7 59.3 28 54 A F E -CD 75 179A 10 47,-2.4 2,-1.5 -2,-0.6 47,-1.4 -0.811 18.4-129.9 -94.9 133.8 71.1 48.8 62.6 29 55 A G S S+ 0 0 21 149,-1.9 2,-0.3 -2,-0.4 45,-0.1 -0.012 82.8 78.5 -72.6 36.0 71.9 45.0 62.5 30 56 A S + 0 0 4 -2,-1.5 44,-0.3 45,-0.2 43,-0.2 -0.967 46.9 146.0-150.1 129.1 69.2 44.2 65.0 31 57 A G > - 0 0 0 41,-0.8 3,-2.2 -2,-0.3 41,-0.2 -0.370 69.3 -39.2-131.8-146.3 65.4 43.9 64.8 32 58 A A G > S+ 0 0 0 39,-2.2 3,-2.2 42,-0.3 40,-0.2 0.796 124.3 70.7 -58.6 -29.7 62.6 41.9 66.3 33 59 A A G 3 S+ 0 0 3 39,-2.1 -1,-0.3 1,-0.3 40,-0.1 0.693 100.4 49.4 -61.1 -16.2 64.8 38.8 66.3 34 60 A N G < S+ 0 0 31 -3,-2.2 -1,-0.3 38,-0.4 -2,-0.2 0.313 93.5 95.9-105.0 3.6 66.7 40.5 69.0 35 61 A E S < S- 0 0 11 -3,-2.2 5,-0.1 111,-0.2 114,-0.1 -0.324 72.1-120.8 -86.8 173.0 63.8 41.4 71.2 36 62 A N > - 0 0 97 -2,-0.1 3,-2.0 1,-0.0 4,-0.5 -0.878 29.1-106.2-115.3 149.7 62.5 39.3 74.2 37 63 A P T 3 S+ 0 0 57 0, 0.0 120,-0.2 0, 0.0 117,-0.1 0.652 120.2 49.5 -47.4 -16.9 59.0 37.9 74.5 38 64 A Y T 3 S+ 0 0 164 1,-0.1 122,-0.1 119,-0.1 -3,-0.0 0.582 114.1 38.1-104.6 -11.8 58.3 40.6 77.0 39 65 A N S X S+ 0 0 24 -3,-2.0 3,-1.6 122,-0.0 -1,-0.1 0.004 80.9 154.5-122.8 21.4 59.5 43.8 75.3 40 66 A N T 3 + 0 0 2 -4,-0.5 121,-0.1 1,-0.3 111,-0.1 -0.309 65.0 29.9 -54.7 123.9 58.2 42.6 71.9 41 67 A G T 3> S+ 0 0 0 109,-0.2 4,-1.6 112,-0.2 -1,-0.3 0.527 74.2 127.6 99.8 8.1 57.5 45.7 69.7 42 68 A V H <> S+ 0 0 0 -3,-1.6 4,-1.6 1,-0.2 -2,-0.1 0.850 79.6 48.6 -62.7 -30.7 60.2 47.9 71.3 43 69 A S H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.846 103.9 55.2 -79.1 -36.2 61.4 48.5 67.8 44 70 A N H > S+ 0 0 8 107,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.860 110.4 51.7 -63.8 -30.0 57.9 49.3 66.3 45 71 A L H X S+ 0 0 1 -4,-1.6 4,-2.0 2,-0.2 5,-0.2 0.927 107.7 48.8 -70.1 -46.8 57.9 51.9 69.0 46 72 A W H X S+ 0 0 2 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.901 112.0 49.9 -59.8 -43.4 61.3 53.3 68.1 47 73 A K H X S+ 0 0 48 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.925 111.4 50.0 -60.4 -44.9 60.2 53.5 64.5 48 74 A N H < S+ 0 0 23 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.774 110.7 46.1 -67.7 -32.1 57.0 55.3 65.5 49 75 A I H >< S+ 0 0 0 -4,-2.0 3,-1.3 2,-0.2 6,-0.3 0.798 108.4 57.9 -80.1 -27.5 58.6 58.0 67.7 50 76 A F H 3< S+ 0 0 3 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.848 110.6 43.3 -66.6 -34.1 61.2 58.6 65.0 51 77 A L T 3< S+ 0 0 56 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.199 91.5 143.1 -95.5 14.6 58.3 59.4 62.7 52 78 A S <> - 0 0 10 -3,-1.3 4,-2.6 1,-0.1 5,-0.2 -0.078 64.4-116.0 -55.2 152.5 56.6 61.4 65.4 53 79 A K H > S+ 0 0 95 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.881 117.4 48.1 -58.7 -39.6 54.7 64.6 64.6 54 80 A E H > S+ 0 0 110 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.974 116.2 41.5 -64.4 -54.7 57.2 66.7 66.6 55 81 A N H > S+ 0 0 0 -6,-0.3 4,-1.3 1,-0.2 -2,-0.2 0.758 114.9 52.8 -65.7 -27.2 60.2 65.1 65.1 56 82 A S H X S+ 0 0 31 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.851 102.1 56.9 -77.3 -36.6 58.6 65.2 61.6 57 83 A A H X S+ 0 0 28 -4,-1.9 4,-1.9 621,-0.2 -2,-0.2 0.828 104.9 55.6 -63.0 -32.6 57.8 68.9 61.7 58 84 A V H X S+ 0 0 60 -4,-1.1 4,-1.4 1,-0.2 3,-0.5 0.999 112.9 37.1 -62.3 -67.3 61.5 69.6 62.3 59 85 A A H X>S+ 0 0 0 -4,-1.3 5,-3.5 1,-0.2 4,-0.7 0.720 112.3 63.1 -58.4 -24.9 62.9 67.8 59.3 60 86 A A H ><5S+ 0 0 2 -4,-1.7 3,-1.3 3,-0.2 -1,-0.2 0.962 99.8 50.1 -65.3 -52.2 59.9 69.0 57.3 61 87 A K H 3<5S+ 0 0 128 -4,-1.9 -2,-0.2 -3,-0.5 -1,-0.2 0.897 112.7 48.9 -50.9 -43.7 60.8 72.7 57.7 62 88 A E H 3<5S- 0 0 101 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.671 122.5-111.6 -71.2 -19.5 64.3 71.7 56.5 63 89 A G T <<5 + 0 0 7 -3,-1.3 19,-0.3 -4,-0.7 2,-0.3 0.836 67.9 139.7 89.3 37.6 62.7 69.9 53.6 64 90 A L < - 0 0 4 -5,-3.5 2,-0.4 -8,-0.2 -1,-0.3 -0.748 44.8-135.6-111.6 159.0 63.6 66.3 54.5 65 91 A A E -E 80 0A 21 15,-2.6 15,-2.0 -2,-0.3 2,-0.5 -0.951 14.7-147.5-116.4 133.0 61.6 63.1 54.3 66 92 A L E +E 79 0A 31 -2,-0.4 2,-0.4 13,-0.2 13,-0.2 -0.888 23.3 164.4-105.9 127.1 61.5 60.6 57.2 67 93 A S E +E 78 0A 55 11,-2.9 11,-3.3 -2,-0.5 2,-0.3 -0.988 6.2 176.4-143.8 127.9 61.2 56.9 56.6 68 94 A S E -E 77 0A 11 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.906 7.5-165.6-128.1 159.2 61.8 54.0 58.9 69 95 A N E -E 76 0A 61 7,-1.9 7,-2.7 -2,-0.3 2,-0.4 -0.971 6.9-156.0-151.5 130.6 61.4 50.2 58.7 70 96 A I E +E 75 0A 17 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.860 24.6 158.5-105.1 135.6 61.4 47.4 61.2 71 97 A S - 0 0 28 3,-1.6 -39,-2.2 -2,-0.4 -38,-0.2 -0.563 48.7 -97.6-134.8-159.2 62.3 43.8 60.2 72 98 A R S S+ 0 0 10 -41,-0.2 -39,-2.1 -2,-0.2 -41,-0.8 0.908 115.4 28.8 -93.8 -54.2 63.5 40.6 61.9 73 99 A D S S- 0 0 16 -43,-0.2 -42,-0.3 -41,-0.1 2,-0.2 0.807 132.8 -4.3 -75.6 -34.4 67.2 40.7 61.4 74 100 A F - 0 0 24 -44,-0.3 -3,-1.6 -45,-0.1 -42,-0.3 -0.663 56.8-151.1-140.5-165.0 67.7 44.5 61.2 75 101 A Q E -CE 28 70A 0 -47,-1.4 -47,-2.4 -5,-0.2 2,-0.3 -0.907 15.7-154.1-172.9 152.4 65.8 47.8 61.3 76 102 A S E -CE 27 69A 0 -7,-2.7 -7,-1.9 -2,-0.3 2,-0.4 -0.937 19.7-153.0-143.7 164.8 66.5 51.3 59.8 77 103 A Y E -CE 26 68A 0 -51,-1.9 -51,-2.0 -2,-0.3 2,-0.4 -0.979 29.3-178.4-135.5 112.7 66.0 55.0 60.0 78 104 A I E -CE 25 67A 2 -11,-3.3 -11,-2.9 -2,-0.4 2,-0.4 -0.928 15.7-160.1-123.4 145.0 66.3 56.8 56.6 79 105 A V E -CE 24 66A 0 -55,-3.7 -55,-3.6 -2,-0.4 2,-0.3 -0.982 7.8-162.4-127.8 125.1 66.0 60.5 55.5 80 106 A S E +CE 23 65A 8 -15,-2.0 -15,-2.6 -2,-0.4 -57,-0.2 -0.841 22.9 141.2-106.9 144.0 65.3 61.6 51.9 81 107 A S E -C 22 0A 0 -59,-2.8 -59,-2.8 -2,-0.3 -17,-0.1 -0.863 53.9 -53.3-159.7-174.3 66.0 65.1 50.4 82 108 A L > - 0 0 58 -19,-0.3 3,-1.1 -2,-0.2 -61,-0.2 -0.452 60.3-100.4 -74.9 150.8 67.2 66.8 47.3 83 109 A P T 3 S+ 0 0 47 0, 0.0 3,-0.4 0, 0.0 103,-0.1 0.702 120.3 40.2 -38.7 -39.1 70.6 65.8 45.7 84 110 A G T > S+ 0 0 62 1,-0.2 3,-0.7 2,-0.1 4,-0.1 0.744 99.7 71.9 -88.7 -26.0 72.6 68.7 47.2 85 111 A S T <> + 0 0 47 -3,-1.1 4,-1.4 1,-0.2 3,-0.2 0.099 57.8 121.3 -78.2 24.6 70.9 68.8 50.6 86 112 A T H 3> S+ 0 0 4 -3,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.755 74.9 52.7 -58.1 -25.6 72.8 65.6 51.6 87 113 A D H <> S+ 0 0 75 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.884 100.6 59.4 -76.6 -40.2 74.3 67.6 54.4 88 114 A K H > S+ 0 0 65 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.830 106.2 50.1 -54.9 -36.0 70.9 68.8 55.7 89 115 A S H X S+ 0 0 1 -4,-1.4 4,-2.6 2,-0.2 5,-0.2 0.936 106.3 53.9 -67.8 -50.6 70.0 65.1 56.1 90 116 A L H X S+ 0 0 19 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.818 106.9 52.7 -53.9 -38.2 73.2 64.3 58.1 91 117 A D H X S+ 0 0 77 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.947 112.1 43.5 -65.7 -48.4 72.4 67.1 60.5 92 118 A F H X S+ 0 0 8 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.869 115.9 47.6 -64.6 -41.7 68.9 65.9 61.3 93 119 A L H X S+ 0 0 25 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.949 115.5 44.3 -64.9 -49.6 70.0 62.2 61.6 94 120 A N H <>S+ 0 0 63 -4,-2.3 5,-0.7 -5,-0.2 -1,-0.2 0.684 112.5 54.7 -68.5 -20.1 72.9 63.1 63.8 95 121 A Q H <>S+ 0 0 56 -4,-1.2 5,-3.1 3,-0.2 3,-0.4 0.834 110.7 44.7 -80.0 -36.0 70.6 65.4 65.8 96 122 A S H <5S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.1 0.640 118.1 41.8 -83.5 -17.6 68.1 62.6 66.4 97 123 A F T <5S+ 0 0 33 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.1 0.173 129.7 19.2-116.1 18.6 70.6 59.9 67.3 98 124 A I T 5S+ 0 0 75 -3,-0.4 3,-0.3 -4,-0.1 -3,-0.2 0.398 131.1 23.8-145.3 -62.3 73.0 62.0 69.6 99 125 A Q T > S- 0 0 37 1,-0.1 4,-1.3 2,-0.0 3,-1.2 -0.572 71.0-107.4 -75.9 135.3 59.6 62.9 76.5 107 133 A S T 34 S+ 0 0 83 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.1 -0.028 103.9 37.7 -57.4 167.2 56.3 61.9 78.0 108 134 A S T 34 S+ 0 0 107 1,-0.2 -1,-0.2 0, 0.0 -2,-0.0 0.338 120.8 54.4 68.3 -9.4 53.0 63.0 76.4 109 135 A N T <> S+ 0 0 11 -3,-1.2 4,-1.5 -5,-0.1 -2,-0.2 0.549 114.0 38.0-114.5 -36.8 54.9 62.3 73.1 110 136 A F H X S+ 0 0 2 -4,-1.3 4,-2.2 2,-0.2 -3,-0.2 0.809 116.3 52.4 -82.2 -37.1 55.8 58.8 74.1 111 137 A E H > S+ 0 0 102 -5,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.771 113.4 45.9 -69.0 -25.8 52.4 58.3 75.8 112 138 A A H > S+ 0 0 55 2,-0.2 4,-1.2 1,-0.1 -2,-0.2 0.851 113.4 47.0 -82.1 -41.1 50.8 59.5 72.5 113 139 A T H X S+ 0 0 9 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.821 108.9 57.5 -68.1 -32.5 53.1 57.3 70.3 114 140 A K H < S+ 0 0 34 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.897 109.0 44.2 -64.9 -42.1 52.3 54.4 72.7 115 141 A K H X S+ 0 0 145 -4,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.748 111.6 56.6 -74.4 -23.7 48.6 54.9 72.0 116 142 A S H < S+ 0 0 54 -4,-1.2 4,-0.4 1,-0.2 -2,-0.2 0.973 108.7 41.8 -71.4 -56.4 49.3 55.2 68.3 117 143 A V T X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.553 114.4 57.4 -68.0 -8.2 51.1 51.9 67.8 118 144 A L H > S+ 0 0 38 -4,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.881 108.4 40.2 -87.9 -45.5 48.4 50.3 70.0 119 145 A K H < S+ 0 0 139 -4,-1.8 -2,-0.2 2,-0.2 4,-0.2 0.405 121.1 52.1 -79.9 1.5 45.4 51.3 68.0 120 146 A Q H > S+ 0 0 77 -4,-0.4 4,-1.6 2,-0.1 -2,-0.2 0.851 109.8 41.3 -99.2 -59.6 47.6 50.4 65.1 121 147 A V H X S+ 0 0 5 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.797 117.4 50.3 -60.8 -31.4 48.8 46.9 66.0 122 148 A Q H X S+ 0 0 107 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.928 106.6 54.8 -72.4 -43.1 45.3 46.1 67.2 123 149 A D H > S+ 0 0 86 1,-0.2 4,-1.1 2,-0.2 5,-0.3 0.809 109.2 48.8 -57.4 -35.7 43.9 47.3 63.9 124 150 A F H X S+ 0 0 18 -4,-1.6 4,-2.1 2,-0.2 3,-0.3 0.922 110.1 48.6 -71.4 -46.6 46.2 44.9 62.1 125 151 A E H < S+ 0 0 48 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.599 115.9 47.1 -70.1 -11.9 45.4 41.9 64.2 126 152 A D H < S+ 0 0 94 -4,-1.0 -1,-0.2 -5,-0.1 -2,-0.2 0.658 131.7 9.1-102.3 -23.8 41.7 42.7 63.7 127 153 A N H < S+ 0 0 90 -4,-1.1 2,-1.5 -3,-0.3 -3,-0.2 0.677 103.3 77.5-133.2 -29.2 41.7 43.3 59.9 128 154 A D X + 0 0 58 -4,-2.1 4,-2.1 -5,-0.3 3,-0.5 -0.419 53.4 161.3 -89.5 66.2 44.9 42.4 58.0 129 155 A H H > + 0 0 26 -2,-1.5 4,-2.6 1,-0.2 5,-0.3 0.877 63.9 55.7 -50.3 -55.8 44.2 38.7 58.0 130 156 A P H > S+ 0 0 56 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.875 118.5 33.9 -50.1 -42.9 46.5 37.6 55.1 131 157 A N H > S+ 0 0 71 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.735 112.8 59.7 -84.4 -27.2 49.6 39.2 56.8 132 158 A R H X S+ 0 0 29 -4,-2.1 4,-1.7 2,-0.2 -3,-0.2 0.884 110.5 44.3 -64.9 -38.0 48.5 38.4 60.3 133 159 A V H X S+ 0 0 1 -4,-2.6 4,-1.5 -5,-0.2 -2,-0.2 0.881 110.5 54.4 -71.8 -39.8 48.5 34.8 59.2 134 160 A L H X S+ 0 0 36 -4,-1.2 4,-1.0 -5,-0.3 -2,-0.2 0.889 110.2 46.6 -62.9 -36.2 51.8 35.4 57.5 135 161 A E H X S+ 0 0 11 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.836 110.1 53.6 -73.7 -33.6 53.2 36.7 60.8 136 162 A H H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 5,-0.2 0.718 97.6 65.2 -72.3 -23.5 51.7 33.7 62.7 137 163 A L H X S+ 0 0 0 -4,-1.5 4,-3.5 2,-0.2 5,-0.2 0.942 107.2 41.8 -63.0 -44.5 53.4 31.3 60.4 138 164 A H H X S+ 0 0 4 -4,-1.0 4,-2.3 1,-0.2 -2,-0.2 0.882 108.3 61.6 -66.5 -41.8 56.8 32.6 61.8 139 165 A S H < S+ 0 0 3 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.890 119.3 25.7 -53.5 -41.8 55.3 32.6 65.2 140 166 A T H >< S+ 0 0 2 -4,-2.0 3,-0.8 2,-0.2 -2,-0.2 0.853 118.7 55.9 -92.8 -39.4 54.7 28.8 65.0 141 167 A A H 3< S+ 0 0 0 -4,-3.5 77,-2.6 1,-0.3 -3,-0.2 0.945 125.8 24.9 -56.6 -47.7 57.4 27.7 62.4 142 168 A F T 3< S+ 0 0 0 -4,-2.3 6,-0.6 -5,-0.2 3,-0.3 0.118 89.7 164.8-105.0 18.6 60.1 29.3 64.6 143 169 A Q < + 0 0 15 -3,-0.8 73,-0.1 1,-0.2 -3,-0.1 0.042 67.1 17.6 -41.2 139.3 58.3 29.1 68.0 144 170 A N S S+ 0 0 110 1,-0.2 -1,-0.2 -5,-0.2 3,-0.1 0.890 112.8 92.6 60.9 43.9 60.5 29.6 71.0 145 171 A T S > S- 0 0 21 -3,-0.3 3,-2.0 -6,-0.1 -1,-0.2 -0.976 91.1 -97.9-159.3 156.0 63.2 31.2 68.9 146 172 A P G > S+ 0 0 15 0, 0.0 3,-1.6 0, 0.0 -111,-0.2 0.869 119.2 55.0 -44.1 -50.8 64.3 34.7 67.7 147 173 A L G 3 S+ 0 0 0 1,-0.3 -5,-0.1 -5,-0.1 -4,-0.1 0.620 94.1 72.8 -64.1 -12.8 62.5 34.5 64.4 148 174 A S G < S+ 0 0 12 -3,-2.0 -1,-0.3 -6,-0.6 -4,-0.1 0.423 74.7 96.7 -82.6 -4.5 59.2 33.6 66.1 149 175 A L S < S- 0 0 18 -3,-1.6 2,-0.2 -4,-0.2 -117,-0.1 -0.778 76.9-122.3 -92.0 132.8 58.7 37.2 67.4 150 176 A P - 0 0 5 0, 0.0 3,-0.3 0, 0.0 -109,-0.2 -0.471 11.6-133.4 -71.2 143.0 56.4 39.5 65.3 151 177 A T S S+ 0 0 16 1,-0.2 -107,-0.4 -2,-0.2 -108,-0.2 0.968 106.0 49.3 -62.0 -56.8 57.8 42.8 64.1 152 178 A R S S- 0 0 77 1,-0.1 -1,-0.2 -109,-0.1 -31,-0.1 0.704 114.9-128.1 -57.3 -17.0 54.9 45.0 65.1 153 179 A G - 0 0 7 -3,-0.3 -112,-0.2 -109,-0.1 -2,-0.1 0.182 28.2 -60.7 83.9 155.4 55.2 43.3 68.5 154 180 A T > - 0 0 4 -4,-0.2 4,-0.8 1,-0.1 -33,-0.1 -0.130 42.7-121.0 -65.2 166.6 52.5 41.6 70.7 155 181 A L H > S+ 0 0 52 2,-0.1 4,-0.5 3,-0.1 -1,-0.1 0.605 110.3 43.7 -85.2 -13.6 49.5 43.5 71.9 156 182 A E H > S+ 0 0 63 2,-0.2 4,-0.8 3,-0.1 3,-0.2 0.865 111.2 49.1 -94.6 -49.5 50.4 42.8 75.6 157 183 A S H >> S+ 0 0 3 1,-0.2 4,-1.0 2,-0.2 3,-0.7 0.858 107.8 60.4 -58.6 -31.4 54.1 43.4 75.6 158 184 A L H >< S+ 0 0 0 -4,-0.8 3,-0.7 1,-0.2 -1,-0.2 0.928 103.7 46.8 -63.7 -45.1 53.3 46.7 73.8 159 185 A E H 3< S+ 0 0 115 -4,-0.5 -1,-0.2 -3,-0.2 -2,-0.2 0.574 110.4 54.1 -75.6 -8.0 51.2 48.1 76.6 160 186 A N H << S+ 0 0 118 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.613 85.6 105.3 -98.1 -16.6 53.7 47.1 79.3 161 187 A L << - 0 0 2 -4,-1.0 2,-0.3 -3,-0.7 -122,-0.0 -0.268 47.5-176.1 -66.3 149.0 56.7 48.9 77.7 162 188 A V >> - 0 0 71 1,-0.0 3,-1.8 -48,-0.0 4,-1.5 -0.917 45.9 -90.5-139.7 168.3 58.0 52.2 79.1 163 189 A V H 3> S+ 0 0 30 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.782 123.9 62.7 -51.0 -29.5 60.6 54.8 78.2 164 190 A A H 3> S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.856 103.0 48.2 -65.3 -36.4 63.1 52.8 80.3 165 191 A D H <> S+ 0 0 53 -3,-1.8 4,-3.0 2,-0.2 5,-0.3 0.896 109.6 52.0 -70.3 -43.1 62.7 49.8 78.0 166 192 A L H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.932 115.8 41.1 -58.4 -48.3 63.2 52.0 74.9 167 193 A E H X S+ 0 0 90 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.968 114.2 52.1 -63.9 -54.5 66.4 53.4 76.3 168 194 A S H X S+ 0 0 71 -4,-2.7 4,-1.8 2,-0.2 3,-0.3 0.934 115.5 40.7 -46.9 -59.1 67.6 50.0 77.7 169 195 A F H X S+ 0 0 12 -4,-3.0 4,-1.7 1,-0.2 3,-0.3 0.955 113.1 54.4 -54.8 -57.4 67.1 48.3 74.3 170 196 A A H X S+ 0 0 11 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.815 107.6 52.4 -46.9 -39.5 68.5 51.3 72.4 171 197 A N H < S+ 0 0 78 -4,-2.7 -1,-0.2 -3,-0.3 -2,-0.2 0.926 112.2 40.8 -67.6 -47.7 71.7 51.2 74.5 172 198 A N H < S+ 0 0 74 -4,-1.8 38,-0.3 -3,-0.3 -1,-0.2 0.658 131.7 27.4 -76.4 -12.6 72.6 47.5 74.0 173 199 A H H < S+ 0 0 15 -4,-1.7 2,-3.0 -5,-0.2 -2,-0.2 0.805 97.3 73.6-117.3 -46.3 71.6 47.7 70.4 174 200 A F S < S+ 0 0 32 -4,-2.6 -1,-0.1 -5,-0.3 5,-0.1 -0.367 76.7 137.7 -73.7 64.9 71.9 51.1 68.6 175 201 A L - 0 0 10 -2,-3.0 30,-0.1 3,-0.1 29,-0.1 -0.072 64.8-112.5 -96.5-163.3 75.7 50.7 68.6 176 202 A N S > S+ 0 0 26 28,-0.4 3,-1.0 31,-0.3 -165,-0.1 0.761 113.7 47.8-103.0 -39.1 78.5 51.4 66.1 177 203 A S T 3 S+ 0 0 87 30,-0.5 31,-0.1 1,-0.2 -1,-0.0 0.664 115.1 51.2 -75.6 -16.3 79.7 47.9 65.4 178 204 A N T 3 S+ 0 0 18 -5,-0.1 -149,-1.9 -150,-0.0 2,-0.3 -0.081 103.9 73.3-110.4 28.0 76.0 47.0 64.9 179 205 A A E < - D 0 28A 4 -3,-1.0 2,-0.3 -151,-0.3 -151,-0.2 -0.980 52.0-169.3-143.6 153.3 75.3 49.8 62.5 180 206 A V E - D 0 27A 6 -153,-1.9 -153,-3.0 -2,-0.3 2,-0.5 -0.975 20.7-136.8-143.7 124.8 75.9 50.8 58.9 181 207 A V E -bD 12 26A 20 -170,-1.8 -168,-2.3 -2,-0.3 2,-0.4 -0.764 24.4-158.6 -88.9 126.0 75.2 54.2 57.4 182 208 A V E -bD 13 25A 1 -157,-3.9 -157,-2.9 -2,-0.5 2,-0.4 -0.892 14.1-173.4-113.2 136.3 73.6 54.0 53.9 183 209 A G E +bD 14 24A 1 -170,-1.5 -168,-1.6 -2,-0.4 2,-0.4 -0.990 13.1 163.9-128.4 122.6 73.4 56.5 51.1 184 210 A T E +bD 15 23A 1 -161,-2.9 -161,-3.4 -2,-0.4 2,-0.2 -0.999 41.8 60.0-139.1 138.4 71.3 56.0 48.0 185 211 A G E S-b 16 0A 9 -170,-0.8 -168,-2.1 -2,-0.4 -163,-0.2 -0.720 110.5 -47.3 150.9 -94.4 70.2 58.4 45.4 186 212 A N S S+ 0 0 45 -170,-0.2 2,-0.3 -2,-0.2 -170,-0.1 0.324 88.8 123.7-154.2 1.1 72.8 60.3 43.4 187 213 A I - 0 0 5 -172,-0.1 -172,-0.1 -166,-0.1 5,-0.1 -0.565 65.9-111.3 -74.6 126.7 75.3 61.6 46.1 188 214 A K > - 0 0 130 -2,-0.3 4,-0.7 1,-0.1 3,-0.2 0.002 17.5-120.2 -51.9 160.2 78.9 60.4 45.4 189 215 A H H >> S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 3,-0.8 0.928 117.2 46.7 -69.2 -44.2 80.5 57.9 47.7 190 216 A E H 34 S+ 0 0 140 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.519 103.6 65.0 -74.4 -7.5 83.3 60.4 48.5 191 217 A D H 34 S+ 0 0 72 -3,-0.2 4,-0.5 3,-0.1 -1,-0.2 0.728 115.0 27.3 -86.4 -24.6 80.7 63.2 49.0 192 218 A L H S+ 0 0 90 -4,-0.4 4,-0.6 -5,-0.2 -1,-0.2 0.919 110.4 53.5 -78.4 -46.1 83.8 62.8 53.9 195 221 A S H > S+ 0 0 24 -4,-0.5 4,-0.5 1,-0.2 -2,-0.2 0.701 113.8 45.7 -61.5 -20.8 80.7 64.6 55.2 196 222 A I H < S+ 0 0 33 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.833 104.7 58.6 -89.0 -38.7 80.5 61.8 57.8 197 223 A E H < S+ 0 0 103 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.1 0.519 94.7 74.3 -69.8 -3.1 84.2 61.9 58.7 198 224 A S H < S+ 0 0 84 -4,-0.6 2,-0.8 1,-0.2 -1,-0.2 0.994 87.1 54.4 -72.2 -69.8 83.7 65.5 59.7 199 225 A K S < S- 0 0 87 -4,-0.5 -1,-0.2 -3,-0.1 -4,-0.0 -0.580 81.0-165.6 -72.1 107.8 81.8 65.2 63.0 200 226 A N + 0 0 143 -2,-0.8 -1,-0.1 -3,-0.1 -2,-0.1 0.770 35.6 103.0 -63.2-128.3 84.0 63.0 65.1 201 227 A L - 0 0 122 1,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.033 49.6-141.2 70.1-173.2 83.0 61.2 68.4 202 228 A S - 0 0 62 3,-0.0 -1,-0.0 -192,-0.0 -193,-0.0 0.376 14.8-148.3-147.5 -56.2 82.2 57.5 68.9 203 229 A L S S- 0 0 96 2,-0.1 -27,-0.1 -27,-0.0 0, 0.0 0.974 79.8 -11.4 67.6 91.0 79.3 57.0 71.3 204 230 A Q S > S+ 0 0 88 1,-0.2 3,-0.8 -29,-0.1 -28,-0.4 0.923 87.3 178.7 57.4 51.7 79.8 53.6 73.2 205 231 A T T 3 + 0 0 90 1,-0.2 -1,-0.2 -30,-0.1 3,-0.1 -0.615 59.5 37.6 -83.8 140.8 82.6 52.4 71.0 206 232 A G T 3 S+ 0 0 81 1,-0.4 2,-0.3 -2,-0.3 -1,-0.2 0.219 89.4 113.7 104.4 -13.7 84.1 49.0 71.9 207 233 A T < - 0 0 64 -3,-0.8 -30,-0.5 0, 0.0 -1,-0.4 -0.736 49.5-158.8 -94.5 139.3 80.8 47.4 72.9 208 234 A K - 0 0 153 -2,-0.3 3,-0.1 -3,-0.1 -35,-0.0 -0.848 27.5-103.3-112.7 149.2 79.2 44.6 71.0 209 235 A P - 0 0 33 0, 0.0 -36,-0.1 0, 0.0 -1,-0.1 -0.284 47.5 -85.5 -69.9 162.0 75.5 43.7 71.1 210 236 A V - 0 0 91 -38,-0.3 2,-0.1 1,-0.1 -38,-0.0 -0.372 41.6-141.6 -66.8 142.7 74.2 40.8 73.1 211 237 A L + 0 0 140 1,-0.1 2,-0.1 -3,-0.1 -1,-0.1 -0.154 24.4 171.2 -89.4-166.5 74.2 37.4 71.4 212 238 A K - 0 0 92 -2,-0.1 2,-0.3 0, 0.0 -1,-0.1 -0.394 37.0 -41.0-161.9-125.3 71.5 34.7 71.8 213 239 A K - 0 0 151 -2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.935 57.4-106.5-140.4 116.2 70.3 31.3 70.5 214 240 A K - 0 0 169 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.100 41.0-108.3 -46.4 120.3 70.1 30.3 66.8 215 241 A A - 0 0 13 1,-0.1 2,-0.3 -70,-0.1 -1,-0.1 -0.036 38.7-162.3 -49.4 146.5 66.6 30.3 65.3 216 242 A A - 0 0 52 -74,-0.3 2,-0.4 -73,-0.1 82,-0.1 -0.957 15.4-128.5-138.4 153.6 65.1 26.9 64.5 217 243 A F - 0 0 36 -2,-0.3 2,-0.4 -75,-0.1 -75,-0.2 -0.846 25.3-174.8-102.2 136.8 62.3 25.4 62.4 218 244 A L - 0 0 32 -77,-2.6 2,-0.7 -2,-0.4 -75,-0.2 -0.991 32.2-114.0-137.7 133.9 59.7 23.1 63.8 219 245 A G + 0 0 2 -2,-0.4 1613,-3.4 1613,-0.1 2,-0.3 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