==== 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-NOV-01 1KB9 . COMPND 2 MOLECULE: UBIQUINOL-CYTOCHROME C REDUCTASE COMPLEX CORE . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR C.LANGE,J.H.NETT,B.L.TRUMPOWER,C.HUNTE . 2180 11 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 98508.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1494 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 260 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 111 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 233 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 770 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 1.3 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 6 1 5 1 4 7 5 6 1 6 1 3 2 1 2 4 1 2 0 1 1 1 1 0 0 1 3 RESIDUES PER ALPHA HELIX . 2 1 0 1 2 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 PARALLEL BRIDGES PER LADDER . 10 6 7 8 2 11 4 2 1 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 . 4 2 2 2 3 1 1 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 97 0, 0.0 2,-0.5 0, 0.0 377,-0.1 0.000 360.0 360.0 360.0 33.5 -18.2 109.4 49.2 2 28 A E - 0 0 108 14,-0.6 2,-0.8 2,-0.0 14,-0.2 -0.882 360.0-166.3-106.3 125.4 -21.7 110.2 50.6 3 29 A V + 0 0 53 -2,-0.5 2,-0.4 12,-0.1 12,-0.2 -0.828 18.4 173.5-110.0 91.2 -24.9 108.5 49.2 4 30 A T E +A 14 0A 32 10,-1.5 10,-2.6 -2,-0.8 2,-0.3 -0.859 3.3 164.4-103.2 133.5 -27.9 110.4 50.5 5 31 A Q E +A 13 0A 69 -2,-0.4 2,-0.3 8,-0.2 8,-0.2 -0.906 3.4 169.0-153.1 119.6 -31.4 109.7 49.4 6 32 A L E -A 12 0A 104 6,-1.6 6,-2.6 -2,-0.3 2,-0.4 -0.904 20.6-141.1-129.1 157.4 -34.8 110.7 50.9 7 33 A S E +A 11 0A 88 -2,-0.3 4,-0.2 4,-0.2 -2,-0.0 -0.976 30.8 149.5-125.6 129.1 -38.4 110.5 49.8 8 34 A N S S- 0 0 62 2,-1.9 -1,-0.1 -2,-0.4 3,-0.1 0.686 91.6 -38.2-112.8 -76.2 -41.2 113.2 50.3 9 35 A G S S+ 0 0 57 1,-0.5 2,-0.3 192,-0.0 -2,-0.1 0.434 141.6 34.7-124.1 -27.6 -43.6 113.0 47.4 10 36 A I S S- 0 0 61 -4,-0.0 -2,-1.9 168,-0.0 2,-0.7 -0.902 93.6-109.3-125.9 151.7 -40.8 112.4 44.9 11 37 A V E -A 7 0A 31 169,-0.4 171,-2.0 -2,-0.3 2,-0.5 -0.774 33.5-163.0 -90.7 115.4 -37.7 110.4 45.5 12 38 A V E -Ab 6 182A 0 -6,-2.6 -6,-1.6 -2,-0.7 2,-0.4 -0.866 7.6-175.9-101.7 128.3 -34.6 112.6 45.7 13 39 A A E +Ab 5 183A 0 169,-3.0 171,-1.8 -2,-0.5 2,-0.3 -0.985 8.8 166.0-127.8 128.7 -31.1 111.2 45.3 14 40 A T E -Ab 4 184A 0 -10,-2.6 -10,-1.5 -2,-0.4 2,-0.3 -0.946 26.0-163.8-139.8 160.4 -27.8 113.1 45.6 15 41 A E E - b 0 185A 29 169,-1.6 171,-0.8 -2,-0.3 2,-0.1 -0.778 23.2-157.9-146.1 89.7 -24.1 112.6 46.0 16 42 A H - 0 0 50 -2,-0.3 -14,-0.6 -14,-0.2 171,-0.2 -0.440 12.2-178.3 -74.2 145.3 -22.3 115.7 47.1 17 43 A N - 0 0 52 169,-0.3 171,-0.0 1,-0.2 -2,-0.0 -0.901 21.5-142.1-147.8 113.3 -18.6 116.3 46.5 18 44 A P S S+ 0 0 103 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.885 88.6 45.5 -37.9 -80.0 -16.9 119.5 47.8 19 45 A S S S+ 0 0 72 1,-0.2 167,-0.1 2,-0.1 3,-0.0 -0.624 72.5 113.7 -75.0 123.0 -14.4 120.4 45.0 20 46 A A - 0 0 12 -2,-0.5 2,-0.9 3,-0.0 -1,-0.2 0.375 57.5-145.9-159.0 -29.4 -16.2 120.0 41.7 21 47 A H S S+ 0 0 99 -3,-0.3 2,-0.3 724,-0.0 722,-0.1 -0.069 78.8 45.3 76.4 -36.1 -16.5 123.4 40.0 22 48 A T - 0 0 2 -2,-0.9 2,-0.4 61,-0.2 61,-0.2 -0.869 68.4-143.3-133.8 167.9 -19.9 122.5 38.5 23 49 A A E -C 82 0A 0 59,-3.4 59,-3.2 -2,-0.3 2,-0.4 -0.997 8.6-154.3-135.9 138.4 -23.2 120.9 39.5 24 50 A S E -CD 81 185A 0 161,-3.8 161,-3.1 -2,-0.4 2,-0.4 -0.950 11.4-177.9-118.7 131.5 -25.5 118.6 37.6 25 51 A V E +CD 80 184A 1 55,-3.1 55,-3.7 -2,-0.4 2,-0.3 -0.966 17.3 135.9-126.7 142.3 -29.2 118.2 38.1 26 52 A G E -CD 79 183A 2 157,-2.5 157,-3.6 -2,-0.4 2,-0.4 -0.988 45.2-108.5-175.2 165.3 -31.7 116.0 36.4 27 53 A V E -CD 78 182A 17 51,-1.6 51,-2.4 -2,-0.3 2,-0.5 -0.882 24.6-162.2-108.0 137.4 -34.5 113.5 36.4 28 54 A V E -CD 77 181A 0 153,-3.0 153,-1.1 -2,-0.4 2,-0.3 -0.981 8.7-151.6-123.8 117.3 -34.0 109.8 35.7 29 55 A F E -CD 76 180A 9 47,-2.3 47,-1.6 -2,-0.5 2,-1.2 -0.705 19.6-127.0 -91.5 141.8 -37.0 107.7 34.7 30 56 A G S S+ 0 0 22 149,-1.2 2,-0.3 -2,-0.3 45,-0.1 -0.070 85.5 77.1 -77.8 38.5 -37.3 103.9 35.4 31 57 A S + 0 0 1 -2,-1.2 44,-0.2 148,-0.2 -2,-0.2 -0.980 48.7 147.2-151.9 133.9 -38.1 103.1 31.8 32 58 A G > - 0 0 0 41,-0.6 3,-2.5 -2,-0.3 4,-0.5 -0.486 67.5 -40.0-137.7-150.0 -36.1 102.9 28.6 33 59 A A G > S+ 0 0 0 39,-2.1 3,-0.6 42,-0.3 40,-0.2 0.700 125.7 68.1 -58.6 -21.6 -35.9 101.1 25.2 34 60 A A G 3 S+ 0 0 9 39,-2.3 -1,-0.3 1,-0.2 40,-0.1 0.570 98.7 51.7 -75.1 -9.3 -36.8 97.9 27.1 35 61 A N G < S+ 0 0 44 -3,-2.5 -1,-0.2 38,-0.3 -2,-0.2 0.548 94.7 89.6-102.4 -11.0 -40.3 99.4 27.7 36 62 A E S < S- 0 0 10 -3,-0.6 114,-0.1 -4,-0.5 5,-0.1 -0.012 73.1-120.7 -75.8-179.0 -41.0 100.3 24.1 37 63 A N > - 0 0 98 1,-0.0 4,-0.5 0, 0.0 -1,-0.1 -0.734 29.4-103.5-117.2 170.4 -42.6 98.1 21.4 38 64 A P T 4 S+ 0 0 56 0, 0.0 117,-0.2 0, 0.0 120,-0.1 0.803 122.1 45.9 -66.5 -22.6 -41.2 96.9 18.1 39 65 A Y T 4 S+ 0 0 169 1,-0.2 122,-0.1 119,-0.0 -3,-0.0 0.758 117.6 36.0 -93.4 -27.4 -43.5 99.5 16.5 40 66 A N T >4 S+ 0 0 28 122,-0.1 3,-1.5 126,-0.0 2,-0.2 0.196 84.3 143.9-108.5 17.0 -42.9 102.6 18.6 41 67 A N T 3< + 0 0 1 -4,-0.5 114,-0.4 1,-0.3 117,-0.1 -0.348 61.9 36.3 -59.1 118.5 -39.2 101.7 19.0 42 68 A G T 3> S+ 0 0 0 112,-0.2 4,-1.6 -2,-0.2 -1,-0.3 0.393 77.5 115.3 114.8 1.6 -37.2 104.9 19.0 43 69 A V H <> S+ 0 0 0 -3,-1.5 4,-2.2 2,-0.2 -2,-0.1 0.901 77.5 50.4 -68.1 -41.0 -39.6 107.1 20.9 44 70 A S H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.913 110.6 48.5 -63.8 -43.7 -37.3 107.5 23.9 45 71 A N H > S+ 0 0 9 107,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.870 110.2 53.5 -64.1 -35.1 -34.4 108.5 21.6 46 72 A L H X S+ 0 0 2 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.902 106.4 51.8 -66.2 -40.9 -36.7 110.9 19.9 47 73 A W H >X S+ 0 0 4 -4,-2.2 4,-2.2 1,-0.2 3,-0.6 0.951 107.3 53.0 -59.0 -50.4 -37.6 112.5 23.2 48 74 A K H 3X S+ 0 0 50 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.884 107.4 53.2 -52.3 -43.3 -34.0 113.0 24.0 49 75 A N H 3< S+ 0 0 26 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.794 109.4 44.5 -67.5 -32.6 -33.4 114.8 20.7 50 76 A I H X< S+ 0 0 1 -4,-1.5 3,-1.8 -3,-0.6 6,-0.4 0.841 107.5 60.1 -79.3 -31.4 -36.2 117.4 21.1 51 77 A F H 3< S+ 0 0 4 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.772 113.0 39.3 -63.0 -25.6 -35.0 118.0 24.7 52 78 A L T 3< S+ 0 0 57 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.200 91.6 136.8-107.1 11.8 -31.7 119.0 23.2 53 79 A S S <> S- 0 0 14 -3,-1.8 4,-3.2 1,-0.1 5,-0.3 -0.209 71.1-107.5 -59.5 152.3 -33.4 120.8 20.2 54 80 A K H > S+ 0 0 103 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.832 118.7 50.8 -49.6 -38.8 -31.9 124.1 19.2 55 81 A E H > S+ 0 0 111 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.983 116.4 35.8 -65.1 -60.3 -35.0 125.9 20.6 56 82 A N H > S+ 0 0 0 -6,-0.4 4,-0.9 1,-0.2 -2,-0.2 0.811 118.9 53.6 -64.4 -29.9 -35.0 124.3 24.1 57 83 A S H X S+ 0 0 33 -4,-3.2 4,-1.5 1,-0.2 -1,-0.2 0.834 105.2 52.3 -74.9 -34.1 -31.2 124.3 24.1 58 84 A A H X S+ 0 0 23 -4,-1.9 4,-1.7 -5,-0.3 -2,-0.2 0.827 104.1 57.3 -70.6 -33.3 -30.9 128.0 23.3 59 85 A V H X S+ 0 0 66 -4,-1.4 4,-0.9 1,-0.2 -1,-0.2 0.851 111.6 42.8 -65.4 -34.6 -33.2 128.9 26.2 60 86 A A H <>S+ 0 0 0 -4,-0.9 5,-3.7 2,-0.2 4,-0.3 0.771 109.3 57.9 -81.5 -28.6 -30.8 127.1 28.6 61 87 A A H <5S+ 0 0 2 -4,-1.5 3,-0.5 3,-0.2 675,-0.2 0.831 102.4 53.4 -70.5 -35.3 -27.7 128.6 27.0 62 88 A K H <5S+ 0 0 122 -4,-1.7 673,-0.3 1,-0.2 -1,-0.2 0.927 110.1 48.3 -63.2 -44.2 -28.9 132.2 27.6 63 89 A E T <5S- 0 0 99 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.548 123.2-109.8 -72.7 -9.2 -29.3 131.2 31.3 64 90 A G T 5S+ 0 0 6 -3,-0.5 2,-0.3 1,-0.3 19,-0.2 0.810 72.9 136.3 82.3 31.8 -25.8 129.7 31.2 65 91 A L < - 0 0 3 -5,-3.7 2,-0.4 -8,-0.1 -1,-0.3 -0.853 43.4-145.3-113.1 147.4 -27.0 126.1 31.5 66 92 A A E -E 81 0A 15 15,-2.2 15,-3.0 -2,-0.3 2,-0.3 -0.928 14.4-142.1-114.0 136.9 -25.8 123.0 29.5 67 93 A L E +E 80 0A 24 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.731 21.6 168.9-102.5 148.7 -28.0 120.1 28.5 68 94 A S E +E 79 0A 46 11,-2.5 11,-3.7 -2,-0.3 2,-0.3 -0.968 4.5 179.4-156.0 137.4 -27.4 116.4 28.4 69 95 A S E -E 78 0A 16 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.975 7.7-163.7-140.9 152.8 -29.5 113.3 27.9 70 96 A N E -E 77 0A 62 7,-1.9 7,-1.8 -2,-0.3 2,-0.6 -0.961 5.9-158.3-144.3 122.9 -29.0 109.5 27.8 71 97 A I E +E 76 0A 14 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.885 25.8 162.6-101.8 119.7 -31.3 106.7 26.5 72 98 A S - 0 0 29 3,-1.8 -39,-2.1 -2,-0.6 -38,-0.2 -0.424 47.8 -98.4-118.9-165.6 -30.5 103.3 27.9 73 99 A R S S+ 0 0 11 -41,-0.2 -39,-2.3 -40,-0.2 -41,-0.6 0.930 116.2 24.8 -85.8 -51.3 -32.3 100.0 28.1 74 100 A D S S+ 0 0 25 -43,-0.2 2,-0.2 -41,-0.1 -42,-0.1 0.647 129.1 20.3 -88.1 -18.7 -33.7 100.0 31.7 75 101 A F - 0 0 28 -44,-0.2 -3,-1.8 -45,-0.1 -42,-0.3 -0.835 55.7-146.8-142.0-176.8 -33.7 103.8 32.2 76 102 A Q E -CE 29 71A 0 -47,-1.6 -47,-2.3 -2,-0.2 2,-0.4 -0.984 17.3-163.5-154.7 141.8 -33.8 107.2 30.6 77 103 A S E -CE 28 70A 0 -7,-1.8 -7,-1.9 -2,-0.3 2,-0.5 -0.991 16.8-167.7-143.1 144.7 -32.3 110.5 31.8 78 104 A Y E -CE 27 69A 1 -51,-2.4 -51,-1.6 -2,-0.4 2,-0.4 -0.987 23.8-176.0-127.6 114.6 -32.5 114.3 31.3 79 105 A I E -CE 26 68A 2 -11,-3.7 -11,-2.5 -2,-0.5 2,-0.4 -0.921 17.2-166.1-121.9 143.0 -29.7 116.3 32.8 80 106 A V E -CE 25 67A 0 -55,-3.7 -55,-3.1 -2,-0.4 2,-0.3 -0.994 13.3-154.5-126.5 122.6 -28.9 120.0 33.1 81 107 A S E +CE 24 66A 9 -15,-3.0 -15,-2.2 -2,-0.4 2,-0.3 -0.776 23.3 157.5 -98.5 145.2 -25.4 121.1 34.2 82 108 A S E -C 23 0A 0 -59,-3.2 -59,-3.4 -2,-0.3 -17,-0.1 -0.919 44.7 -78.5-154.1 174.7 -24.8 124.5 35.9 83 109 A L > - 0 0 56 -2,-0.3 3,-0.8 -19,-0.2 -61,-0.2 -0.456 52.1-104.3 -76.8 155.4 -22.4 126.4 38.2 84 110 A P G > S+ 0 0 50 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.733 121.4 53.0 -54.0 -22.1 -22.7 125.7 42.0 85 111 A G G 3 S+ 0 0 69 1,-0.2 3,-0.4 2,-0.1 4,-0.1 0.830 102.0 55.3 -83.4 -34.5 -24.5 129.0 42.4 86 112 A S G <> + 0 0 52 -3,-0.8 4,-0.9 1,-0.2 3,-0.3 0.035 66.4 124.3 -88.8 28.5 -27.2 128.5 39.8 87 113 A T T <4 S+ 0 0 15 -3,-0.5 4,-0.4 1,-0.2 -1,-0.2 0.650 76.0 49.7 -61.6 -16.3 -28.4 125.2 41.3 88 114 A D T > S+ 0 0 67 -3,-0.4 4,-1.1 2,-0.2 3,-0.5 0.807 101.7 59.0 -91.3 -35.6 -31.9 126.6 41.5 89 115 A K H > S+ 0 0 88 -3,-0.3 4,-1.2 1,-0.2 -2,-0.2 0.631 98.4 61.0 -69.5 -14.5 -32.1 127.9 37.9 90 116 A S H X S+ 0 0 0 -4,-0.9 4,-1.5 2,-0.2 -1,-0.2 0.845 103.1 50.5 -78.1 -35.6 -31.6 124.3 36.7 91 117 A L H > S+ 0 0 20 -3,-0.5 4,-2.2 -4,-0.4 -2,-0.2 0.779 106.4 55.3 -71.2 -29.8 -34.8 123.2 38.5 92 118 A D H X S+ 0 0 60 -4,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.906 111.2 43.9 -68.6 -42.2 -36.7 126.1 36.9 93 119 A F H X S+ 0 0 11 -4,-1.2 4,-0.8 2,-0.2 -2,-0.2 0.779 112.2 54.4 -72.5 -28.7 -35.6 124.9 33.4 94 120 A L H X S+ 0 0 22 -4,-1.5 4,-1.0 2,-0.2 3,-0.3 0.946 114.6 38.2 -70.2 -49.2 -36.4 121.3 34.4 95 121 A N H X>S+ 0 0 77 -4,-2.2 5,-1.1 1,-0.2 4,-1.0 0.855 112.5 57.9 -69.4 -38.3 -40.0 122.0 35.5 96 122 A Q H <>S+ 0 0 74 -4,-2.1 5,-3.0 1,-0.2 -1,-0.2 0.737 112.4 41.7 -64.9 -24.2 -40.5 124.5 32.6 97 123 A S H <5S+ 0 0 0 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.633 117.8 44.0 -98.1 -17.7 -39.7 121.7 30.1 98 124 A F H <5S+ 0 0 31 -4,-1.0 -2,-0.2 -3,-0.2 -3,-0.1 0.374 133.1 11.7-108.7 2.9 -41.6 118.8 31.7 99 125 A I T <5S+ 0 0 70 -4,-1.0 -3,-0.2 -5,-0.1 -2,-0.1 0.452 133.8 35.3-141.2 -50.3 -44.8 120.6 32.6 100 126 A Q T 4 S+ 0 0 90 1,-0.1 3,-0.5 -4,-0.1 -2,-0.2 0.718 101.0 54.7 -87.6 -26.7 -44.4 123.6 23.2 105 131 A L T 3< S+ 0 0 5 -4,-1.9 2,-0.5 1,-0.2 -1,-0.1 0.770 99.2 66.2 -75.6 -26.6 -41.5 121.3 22.4 106 132 A L T 3 S+ 0 0 15 -5,-0.3 -1,-0.2 4,-0.1 2,-0.2 -0.210 72.5 143.8 -90.3 41.8 -43.8 119.2 20.4 107 133 A S <> - 0 0 43 -3,-0.5 4,-3.0 -2,-0.5 3,-0.5 -0.528 61.9-117.2 -81.4 150.6 -44.6 121.8 17.7 108 134 A S T 4 S+ 0 0 95 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.596 115.5 47.2 -62.7 -12.9 -45.0 120.6 14.0 109 135 A S T > S+ 0 0 105 2,-0.1 4,-0.7 3,-0.1 -1,-0.2 0.727 115.7 42.7 -97.8 -29.0 -42.0 122.6 13.0 110 136 A N H > S+ 0 0 10 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.880 113.1 51.7 -82.4 -43.2 -39.7 121.4 15.7 111 137 A F H X S+ 0 0 4 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.912 110.6 47.0 -61.0 -47.6 -40.8 117.7 15.6 112 138 A E H > S+ 0 0 91 -4,-0.5 4,-1.6 -5,-0.3 -1,-0.2 0.831 112.6 49.9 -65.6 -34.0 -40.2 117.4 11.8 113 139 A A H X S+ 0 0 54 -4,-0.7 4,-0.5 2,-0.2 -1,-0.2 0.825 115.4 43.9 -73.1 -33.0 -36.8 119.1 12.0 114 140 A T H >X S+ 0 0 12 -4,-1.9 4,-2.1 2,-0.2 3,-0.8 0.907 110.8 52.9 -76.3 -46.0 -35.8 116.7 14.9 115 141 A K H 3X S+ 0 0 23 -4,-3.0 4,-1.3 1,-0.3 -2,-0.2 0.884 107.1 53.7 -56.4 -41.3 -37.2 113.6 13.2 116 142 A K H 3X S+ 0 0 136 -4,-1.6 4,-1.0 1,-0.2 -1,-0.3 0.761 110.4 48.6 -66.2 -25.2 -35.2 114.4 10.1 117 143 A S H S+ 0 0 69 -4,-1.6 4,-1.7 1,-0.2 5,-0.5 0.830 108.5 54.1 -60.2 -34.9 -25.2 106.9 9.9 125 151 A F H X5S+ 0 0 15 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.944 110.5 43.7 -64.1 -51.7 -24.9 104.5 12.8 126 152 A E H <5S+ 0 0 41 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.793 115.7 50.0 -65.7 -31.3 -26.0 101.5 10.8 127 153 A D H <5S+ 0 0 98 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.788 131.4 4.9 -79.9 -29.3 -23.8 102.5 7.8 128 154 A N H <5S+ 0 0 97 -4,-1.7 2,-2.1 -5,-0.2 -3,-0.2 0.711 101.6 82.8-129.7 -33.2 -20.6 103.1 9.7 129 155 A D X< + 0 0 49 -4,-1.6 4,-2.5 -5,-0.5 5,-0.2 -0.464 50.3 163.7 -82.0 75.7 -20.4 102.2 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5,-0.1 0.727 87.3 67.1 -62.7 -27.6 -20.8 115.1 37.3 358 384 A V H 3> S+ 0 0 21 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.858 102.7 46.8 -65.1 -33.2 -23.0 114.1 34.3 359 385 A N H <> S+ 0 0 71 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.901 110.2 53.8 -72.3 -40.8 -21.5 110.6 34.4 360 386 A D H X S+ 0 0 25 -4,-1.2 4,-2.7 1,-0.2 5,-0.2 0.879 106.3 53.0 -59.4 -41.0 -22.0 110.5 38.2 361 387 A A H X S+ 0 0 2 -4,-2.3 4,-3.5 2,-0.2 5,-0.2 0.926 109.5 47.2 -61.7 -47.6 -25.6 111.3 37.8 362 388 A N H X S+ 0 0 30 -4,-1.6 4,-2.3 1,-0.2 5,-0.2 0.903 114.6 47.1 -62.2 -41.3 -26.2 108.5 35.3 363 389 A L H X S+ 0 0 46 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.904 117.8 41.6 -67.3 -42.7 -24.4 106.0 37.6 364 390 A L H X S+ 0 0 1 -4,-2.7 4,-2.4 -5,-0.2 5,-0.3 0.960 116.3 48.7 -68.7 -53.1 -26.3 107.2 40.7 365 391 A G H X S+ 0 0 0 -4,-3.5 4,-1.7 1,-0.2 -2,-0.2 0.916 110.1 50.0 -53.2 -51.5 -29.6 107.4 38.9 366 392 A A H X S+ 0 0 21 -4,-2.3 4,-0.7 -5,-0.2 -1,-0.2 0.840 113.6 47.1 -58.6 -37.2 -29.5 104.0 37.3 367 393 A E H >X S+ 0 0 29 -4,-1.3 4,-2.4 -5,-0.2 3,-0.7 0.938 110.7 47.6 -72.3 -49.6 -28.5 102.3 40.6 368 394 A V H 3X S+ 0 0 6 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.772 106.2 60.5 -64.1 -27.2 -31.1 103.9 42.9 369 395 A L H 3< S+ 0 0 45 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.813 114.9 33.4 -69.8 -30.1 -33.9 103.2 40.3 370 396 A I H << S+ 0 0 54 -3,-0.7 -2,-0.2 -4,-0.7 -1,-0.1 0.876 136.0 17.3 -94.1 -46.1 -33.2 99.4 40.6 371 397 A K H < S- 0 0 73 -4,-2.4 -3,-0.2 2,-0.3 -2,-0.1 0.403 96.2-118.2-110.4 2.2 -32.2 98.7 44.1 372 398 A G S < S+ 0 0 39 -4,-1.1 2,-0.3 -5,-0.4 -4,-0.2 0.546 89.0 43.5 73.1 7.6 -33.4 101.9 45.9 373 399 A S S S- 0 0 63 -6,-0.5 2,-0.4 -9,-0.1 -2,-0.3 -0.970 79.4-109.9-167.2 171.8 -29.8 102.8 46.9 374 400 A K - 0 0 18 -2,-0.3 2,-0.4 -371,-0.1 -371,-0.1 -0.968 24.0-130.1-121.0 132.3 -26.2 102.9 45.7 375 401 A L - 0 0 37 -2,-0.4 2,-0.1 1,-0.1 5,-0.1 -0.658 34.1-118.1 -78.6 126.7 -23.4 100.7 46.8 376 402 A S >> - 0 0 45 -2,-0.4 4,-1.9 1,-0.1 3,-1.0 -0.365 16.6-118.1 -66.6 147.0 -20.4 102.8 47.9 377 403 A L H 3> S+ 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387 413 A I < - 0 0 7 -3,-1.7 2,-0.2 -4,-0.3 -46,-0.1 -0.533 50.9-166.0 -74.3 130.7 -13.7 86.7 45.6 388 414 A T >> - 0 0 71 -2,-0.3 4,-1.8 1,-0.1 3,-0.6 -0.673 37.2-105.7-110.7 169.0 -11.7 83.4 45.6 389 415 A V H 3> S+ 0 0 24 1,-0.3 4,-2.5 -2,-0.2 5,-0.2 0.898 122.3 59.4 -59.6 -37.6 -10.7 81.0 42.7 390 416 A K H 3> S+ 0 0 170 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.835 103.1 51.6 -60.8 -33.2 -13.4 78.7 44.0 391 417 A D H <> S+ 0 0 66 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.961 109.4 47.7 -68.1 -51.9 -16.0 81.5 43.4 392 418 A V H X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 5,-0.2 0.898 112.8 50.5 -55.7 -42.1 -14.9 82.1 39.8 393 419 A K H X S+ 0 0 77 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.882 110.2 48.3 -64.3 -42.3 -14.9 78.3 39.1 394 420 A A H < S+ 0 0 71 -4,-1.8 4,-0.3 -5,-0.2 -1,-0.2 0.868 114.9 46.8 -66.6 -36.5 -18.4 77.9 40.5 395 421 A W H >X S+ 0 0 5 -4,-2.3 4,-2.7 2,-0.2 3,-1.3 0.951 114.0 45.7 -69.1 -52.2 -19.7 80.8 38.5 396 422 A A H 3X>S+ 0 0 0 -4,-3.0 4,-2.6 -68,-0.3 5,-2.3 0.883 107.0 58.9 -59.6 -40.1 -18.0 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