==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 31-DEC-04 1YFE . COMPND 2 MOLECULE: FUMARATE HYDRATASE CLASS II; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.WEAVER . 457 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20859.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 4.6 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 . 3 0.7 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 . 15 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 49.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 0 1 2 0 1 1 0 0 1 1 1 0 1 1 1 1 1 0 0 1 1 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 4 A V 0 0 126 0, 0.0 2,-0.3 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0-175.7 139.9 85.8 33.2 2 5 A R E -A 13 0A 32 11,-0.8 11,-2.3 9,-0.1 2,-0.8 -0.842 360.0-123.5-168.2 123.2 142.7 86.4 30.7 3 6 A S E -A 12 0A 67 -2,-0.3 118,-0.4 9,-0.2 9,-0.2 -0.685 33.1-177.0 -81.7 108.4 145.9 88.4 31.2 4 7 A E E -A 11 0A 0 7,-2.4 7,-2.7 -2,-0.8 2,-0.4 -0.635 13.7-138.2 -96.5 162.8 146.1 91.1 28.5 5 8 A K E +A 10 0A 115 5,-0.3 5,-0.3 -2,-0.2 2,-0.2 -0.979 25.1 163.2-137.3 137.8 149.1 93.4 28.3 6 9 A D E > -A 9 0A 15 3,-3.3 3,-2.8 -2,-0.4 0, 0.0 -0.777 59.3 -75.4-132.2 178.3 149.8 97.1 27.7 7 10 A S T 3 S+ 0 0 124 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.628 130.5 52.2 -52.3 -18.2 152.7 99.5 28.2 8 11 A M T 3 S- 0 0 151 1,-0.4 2,-0.3 0, 0.0 -1,-0.3 0.548 122.4 -97.2 -95.1 -10.6 152.0 99.7 31.9 9 12 A G E < -A 6 0A 21 -3,-2.8 -3,-3.3 2,-0.0 -1,-0.4 -0.894 56.0 -32.9 132.3-161.8 152.1 95.9 32.2 10 13 A A E -A 5 0A 60 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.761 50.5-176.4-100.3 146.3 149.7 92.9 32.3 11 14 A I E -A 4 0A 24 -7,-2.7 -7,-2.4 -2,-0.3 2,-0.4 -0.984 30.7-103.5-142.7 148.2 146.2 93.0 33.7 12 15 A D E -A 3 0A 99 -2,-0.3 -9,-0.2 -9,-0.2 -7,-0.0 -0.593 37.9-176.4 -75.7 129.2 143.4 90.5 34.3 13 16 A V E -A 2 0A 0 -11,-2.3 -11,-0.8 -2,-0.4 8,-0.1 -0.965 38.0 -93.3-127.3 139.3 140.5 90.7 31.8 14 17 A P > - 0 0 42 0, 0.0 3,-2.1 0, 0.0 5,-0.1 -0.316 32.8-136.9 -53.1 123.9 137.2 88.7 31.8 15 18 A A T 3 S+ 0 0 47 1,-0.3 104,-0.0 3,-0.0 -13,-0.0 0.824 101.9 57.0 -52.0 -39.0 137.8 85.7 29.5 16 19 A D T 3 S+ 0 0 111 2,-0.0 2,-0.3 -14,-0.0 -1,-0.3 0.264 94.1 91.7 -80.8 13.4 134.4 86.1 27.9 17 20 A K < - 0 0 45 -3,-2.1 68,-0.1 2,-0.1 -4,-0.1 -0.787 62.2-153.0-110.1 152.5 135.2 89.7 26.9 18 21 A L + 0 0 5 -2,-0.3 91,-0.4 64,-0.1 92,-0.1 0.597 66.0 98.3 -95.9 -14.7 136.7 91.0 23.6 19 22 A W - 0 0 15 1,-0.1 -2,-0.1 -5,-0.1 83,-0.1 -0.217 63.7-136.4 -71.4 163.0 138.3 94.2 25.1 20 23 A G > - 0 0 0 81,-0.2 4,-1.5 82,-0.1 -1,-0.1 -0.091 35.7 -69.4-101.6-153.8 141.9 94.4 26.0 21 24 A A H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.903 121.9 53.7 -69.2 -48.9 144.1 95.7 28.8 22 25 A Q H > S+ 0 0 69 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.873 110.8 47.9 -57.8 -39.5 143.7 99.5 28.4 23 26 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.921 112.1 50.1 -66.9 -44.2 139.8 99.2 28.4 24 27 A Q H X S+ 0 0 25 -4,-1.5 4,-0.5 1,-0.2 -2,-0.2 0.914 112.4 46.9 -60.4 -44.0 140.0 97.1 31.5 25 28 A R H >X S+ 0 0 47 -4,-2.8 4,-1.2 1,-0.2 3,-0.7 0.846 110.6 50.7 -68.5 -36.5 142.3 99.6 33.3 26 29 A S H 3X S+ 0 0 12 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.851 99.7 66.8 -68.3 -34.5 140.2 102.6 32.4 27 30 A L H 3< S+ 0 0 35 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.746 106.8 41.2 -57.3 -25.8 137.2 100.7 33.7 28 31 A E H << S+ 0 0 68 -3,-0.7 3,-0.4 -4,-0.5 -1,-0.2 0.748 114.8 48.8 -93.3 -30.8 138.9 101.0 37.2 29 32 A H H < S+ 0 0 126 -4,-1.2 -2,-0.2 1,-0.2 2,-0.2 0.721 114.8 43.6 -82.7 -23.6 140.1 104.7 36.9 30 33 A F < + 0 0 62 -4,-2.3 2,-1.6 -5,-0.1 59,-0.4 -0.491 61.3 149.0-122.9 60.8 136.8 106.1 35.7 31 34 A R + 0 0 171 -3,-0.4 2,-0.5 -2,-0.2 -4,-0.1 -0.591 28.9 147.9 -90.5 71.1 134.1 104.6 37.8 32 35 A I - 0 0 87 -2,-1.6 59,-0.4 59,-0.1 3,-0.2 -0.949 57.7 -52.5-118.5 119.7 131.9 107.6 37.6 33 36 A S S S- 0 0 75 -2,-0.5 56,-0.0 1,-0.2 -1,-0.0 -0.020 75.4 -77.2 56.0-152.7 128.1 107.5 37.6 34 37 A T S S+ 0 0 113 2,-0.1 2,-0.4 -3,-0.1 -1,-0.2 0.402 83.0 120.1-126.3 1.0 126.3 105.2 35.1 35 38 A E + 0 0 62 -3,-0.2 55,-2.5 3,-0.0 56,-0.4 -0.566 36.5 177.6 -75.3 126.8 126.4 107.0 31.7 36 39 A K B -B 89 0B 90 -2,-0.4 53,-0.2 53,-0.3 54,-0.1 -0.610 43.1 -67.6-116.8 176.8 128.2 105.0 29.0 37 40 A M - 0 0 16 51,-1.0 2,-0.1 49,-0.2 -1,-0.1 -0.438 58.5-110.7 -67.5 138.3 128.7 105.7 25.3 38 41 A P >> - 0 0 17 0, 0.0 4,-2.1 0, 0.0 3,-1.3 -0.453 21.6-117.2 -71.9 146.9 125.5 105.7 23.3 39 42 A T H 3> S+ 0 0 78 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.845 115.1 57.0 -49.1 -40.1 125.0 102.8 20.9 40 43 A S H 3> S+ 0 0 43 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.818 107.1 47.9 -63.6 -34.3 124.9 105.3 18.0 41 44 A L H <> S+ 0 0 0 -3,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.929 111.2 51.0 -71.3 -45.2 128.3 106.7 18.9 42 45 A I H X S+ 0 0 12 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.897 112.2 46.1 -58.7 -41.4 129.7 103.1 19.2 43 46 A H H X S+ 0 0 46 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.848 111.2 52.0 -71.5 -33.4 128.4 102.2 15.8 44 47 A A H X S+ 0 0 3 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.849 109.4 50.8 -69.1 -32.8 129.7 105.5 14.3 45 48 A L H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.861 110.6 48.9 -70.9 -36.1 133.1 104.6 15.8 46 49 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.909 109.2 51.9 -69.6 -43.1 132.9 101.1 14.2 47 50 A L H X S+ 0 0 24 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.841 109.5 51.1 -59.7 -37.1 132.0 102.7 10.8 48 51 A T H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.943 110.1 47.6 -66.9 -48.5 135.0 104.9 11.2 49 52 A K H X S+ 0 0 1 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.825 112.8 51.1 -61.4 -33.6 137.3 102.0 11.9 50 53 A R H X S+ 0 0 57 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.936 111.3 44.7 -70.4 -48.1 135.8 100.1 8.9 51 54 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.859 113.0 52.8 -65.2 -35.3 136.3 103.0 6.4 52 55 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.884 108.5 50.2 -67.0 -38.8 139.8 103.5 7.8 53 56 A A H X S+ 0 0 3 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.959 110.3 49.9 -62.8 -50.2 140.6 99.8 7.2 54 57 A K H X S+ 0 0 59 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.847 113.2 45.3 -57.7 -40.3 139.3 100.0 3.7 55 58 A V H X S+ 0 0 3 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.905 110.0 53.7 -73.1 -40.7 141.4 103.1 2.8 56 59 A N H <>S+ 0 0 1 -4,-2.4 5,-3.2 1,-0.2 6,-0.7 0.932 109.7 49.4 -57.3 -45.1 144.6 101.7 4.4 57 60 A E H ><5S+ 0 0 35 -4,-2.5 3,-1.8 4,-0.2 -1,-0.2 0.903 107.9 54.0 -60.0 -42.9 144.2 98.6 2.3 58 61 A D H 3<5S+ 0 0 68 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.790 108.5 49.3 -62.8 -29.8 143.7 100.8 -0.8 59 62 A L T 3<5S- 0 0 27 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.104 117.9-112.7 -96.6 21.0 147.0 102.5 -0.0 60 63 A G T < 5S+ 0 0 67 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.768 86.7 121.0 53.8 28.2 148.8 99.2 0.4 61 64 A L S - 0 0 48 -2,-0.3 4,-2.7 -3,-0.1 5,-0.3 -0.162 32.1-107.9 -61.2 156.7 147.2 93.5 3.9 64 67 A E H > S+ 0 0 129 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.898 117.4 41.6 -51.2 -51.2 144.0 92.1 2.3 65 68 A E H > S+ 0 0 111 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.873 114.0 50.8 -68.9 -40.9 143.2 89.6 5.2 66 69 A K H > S+ 0 0 52 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.943 116.9 41.0 -61.6 -48.6 144.1 92.0 8.0 67 70 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.940 113.7 52.6 -65.1 -48.2 141.9 94.7 6.5 68 71 A S H X S+ 0 0 41 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.808 110.0 48.8 -59.4 -34.3 139.1 92.3 5.6 69 72 A A H X S+ 0 0 2 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.834 110.0 49.8 -75.6 -37.2 138.9 90.9 9.1 70 73 A I H X S+ 0 0 2 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.953 114.3 45.6 -65.6 -47.9 138.8 94.3 10.8 71 74 A R H X S+ 0 0 37 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.911 113.3 49.8 -61.0 -43.6 136.0 95.4 8.5 72 75 A Q H X S+ 0 0 111 -4,-1.9 4,-0.6 -5,-0.2 -1,-0.2 0.850 111.3 49.1 -64.6 -34.1 134.1 92.1 9.0 73 76 A A H >X S+ 0 0 0 -4,-1.9 4,-1.1 2,-0.2 3,-0.6 0.879 108.5 54.7 -71.3 -36.7 134.5 92.5 12.8 74 77 A A H >X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 3,-0.7 0.901 101.7 57.1 -62.4 -42.8 133.2 96.1 12.5 75 78 A D H 3X S+ 0 0 66 -4,-2.2 4,-1.9 1,-0.3 -1,-0.2 0.743 101.5 57.6 -61.2 -24.7 130.1 94.9 10.7 76 79 A E H <<>S+ 0 0 24 -4,-0.6 5,-2.4 -3,-0.6 6,-0.4 0.844 105.4 48.9 -74.2 -35.1 129.4 92.6 13.7 77 80 A V H X<5S+ 0 0 1 -4,-1.1 3,-1.0 -3,-0.7 5,-0.3 0.912 114.0 46.8 -67.4 -42.0 129.4 95.7 15.9 78 81 A L H 3<5S+ 0 0 53 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.843 105.1 59.3 -67.2 -34.0 127.0 97.3 13.5 79 82 A A T 3<5S- 0 0 73 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.583 118.7-117.1 -70.9 -9.5 124.9 94.1 13.4 80 83 A G T < 5S+ 0 0 26 -3,-1.0 3,-0.4 -4,-0.2 -3,-0.2 0.678 80.1 120.9 82.9 22.1 124.5 94.8 17.1 81 84 A Q S + 0 0 13 -6,-0.4 3,-2.2 -5,-0.3 -1,-0.2 0.082 65.4 123.0-128.1 23.5 128.9 93.4 20.5 83 86 A D G > S+ 0 0 73 -3,-0.4 3,-0.8 1,-0.3 -1,-0.1 0.847 75.9 54.9 -54.1 -34.8 126.9 96.0 22.5 84 87 A D G 3 S+ 0 0 128 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.345 88.2 78.5 -83.8 6.5 128.2 94.5 25.7 85 88 A E G < S+ 0 0 20 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.1 0.353 79.9 72.7 -95.6 7.1 131.8 94.9 24.8 86 89 A F < + 0 0 18 -3,-0.8 -49,-0.2 -4,-0.1 -1,-0.2 -0.694 48.0 156.4-126.5 81.3 131.9 98.7 25.6 87 90 A P + 0 0 24 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.509 31.3 126.6 -80.4 -9.2 131.8 99.2 29.4 88 91 A L - 0 0 6 1,-0.1 -51,-1.0 -52,-0.1 4,-0.1 -0.257 55.9-127.2 -64.8 135.5 133.4 102.7 29.4 89 92 A A B -B 36 0B 4 -59,-0.4 -53,-0.3 -53,-0.2 10,-0.1 -0.339 17.9-121.1 -72.9 157.8 131.8 105.6 31.2 90 93 A I S S+ 0 0 1 -55,-2.5 2,-1.9 1,-0.2 -54,-0.1 0.841 102.6 78.0 -66.8 -34.2 131.2 108.9 29.4 91 94 A W S S+ 0 0 82 -56,-0.4 -1,-0.2 -59,-0.4 -2,-0.2 -0.509 73.3 105.6 -82.2 74.2 133.3 110.6 32.1 92 95 A Q S S- 0 0 23 -2,-1.9 2,-0.2 1,-0.2 -2,-0.1 -0.281 79.0 -21.9-125.4-151.3 136.7 109.6 30.8 93 96 A T > - 0 0 48 1,-0.1 3,-2.6 -2,-0.1 -1,-0.2 -0.492 63.6-124.0 -65.0 129.9 139.6 111.4 29.0 94 97 A G T 3 S+ 0 0 17 1,-0.3 265,-1.3 263,-0.3 264,-0.2 0.599 108.9 56.1 -52.5 -18.2 138.3 114.5 27.3 95 98 A S T 3 S- 0 0 9 262,-0.2 -1,-0.3 264,-0.1 46,-0.2 0.568 111.6-117.6 -90.4 -11.4 139.6 113.3 23.9 96 99 A G <> + 0 0 0 -3,-2.6 4,-1.2 261,-0.1 -2,-0.1 0.834 63.2 150.1 76.5 31.6 137.7 110.1 24.1 97 100 A T H > + 0 0 40 -4,-0.2 4,-2.1 2,-0.2 3,-0.3 0.943 65.4 51.6 -60.9 -52.2 141.0 108.2 24.0 98 101 A Q H > S+ 0 0 25 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.925 108.9 48.1 -52.0 -55.7 139.8 105.2 26.1 99 102 A S H > S+ 0 0 6 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.789 109.4 55.5 -59.5 -28.3 136.7 104.5 23.9 100 103 A N H X S+ 0 0 0 -4,-1.2 4,-2.0 -3,-0.3 -1,-0.2 0.944 112.9 40.9 -68.0 -46.2 138.9 104.7 20.8 101 104 A M H X S+ 0 0 8 -4,-2.1 4,-3.7 2,-0.2 5,-0.3 0.889 108.7 60.7 -65.8 -40.9 141.2 102.0 22.3 102 105 A N H X S+ 0 0 2 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.881 110.0 42.7 -53.5 -39.9 138.1 100.1 23.5 103 106 A M H X S+ 0 0 0 -4,-1.5 4,-2.3 -5,-0.2 -1,-0.2 0.879 113.0 52.0 -74.4 -40.2 137.1 99.9 19.9 104 107 A N H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.928 112.5 46.0 -61.2 -45.2 140.6 99.1 18.7 105 108 A E H X S+ 0 0 5 -4,-3.7 4,-2.3 2,-0.2 5,-0.2 0.878 113.9 45.7 -66.3 -44.3 140.9 96.2 21.3 106 109 A V H X S+ 0 0 1 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.892 115.8 47.8 -66.9 -39.7 137.5 94.6 20.6 107 110 A L H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.722 113.0 48.8 -72.8 -24.8 138.1 94.9 16.9 108 111 A A H X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 17,-0.4 0.934 112.2 45.5 -78.8 -51.8 141.6 93.4 17.2 109 112 A N H X S+ 0 0 0 -4,-2.3 4,-1.5 -91,-0.4 -2,-0.2 0.870 119.2 43.3 -58.5 -39.5 140.7 90.4 19.3 110 113 A R H X S+ 0 0 55 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.859 111.5 50.9 -76.2 -41.7 137.6 89.6 17.1 111 114 A A H < S+ 0 0 0 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.813 108.3 56.4 -65.3 -29.2 139.4 90.1 13.7 112 115 A S H >X S+ 0 0 0 -4,-1.8 3,-1.7 1,-0.2 4,-0.6 0.949 106.6 47.6 -65.5 -48.7 142.0 87.8 15.1 113 116 A E H 3< S+ 0 0 51 -4,-1.5 -1,-0.2 4,-0.3 -2,-0.2 0.742 104.5 61.3 -62.6 -28.1 139.4 85.1 15.7 114 117 A L T 3< S+ 0 0 46 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.517 120.0 25.5 -77.3 -5.4 138.1 85.7 12.2 115 118 A L T <4 S- 0 0 53 -3,-1.7 -2,-0.2 -4,-0.2 -3,-0.1 0.493 143.2 -12.8-116.3 -95.5 141.5 84.6 10.9 116 119 A G S < S- 0 0 49 -4,-0.6 -3,-0.2 -5,-0.1 -4,-0.1 0.980 89.9-114.0 -76.8 -73.7 143.6 82.3 13.1 117 120 A G + 0 0 43 -5,-0.4 2,-0.7 1,-0.2 -4,-0.3 0.529 59.3 138.8 146.9 21.7 141.7 82.5 16.4 118 121 A V - 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0 0 6 -4,-1.6 30,-0.4 -5,-0.2 3,-0.3 -0.239 68.6-143.1 -68.3 157.2 82.3 136.3 24.6 403 406 A L S > S+ 0 0 54 1,-0.2 3,-2.2 2,-0.1 4,-0.2 0.526 79.6 97.1 -95.3 -9.5 81.9 140.1 24.0 404 407 A M T 3 S+ 0 0 58 1,-0.3 3,-0.5 2,-0.1 -1,-0.2 0.554 73.6 63.1 -57.5 -13.0 84.6 140.1 21.3 405 408 A L T > S+ 0 0 11 -3,-0.3 3,-1.8 1,-0.2 4,-0.3 0.518 70.8 95.1 -92.5 -6.1 82.1 139.9 18.5 406 409 A V G X> S+ 0 0 24 -3,-2.2 3,-1.0 1,-0.3 4,-0.6 0.667 71.6 73.9 -59.4 -14.1 80.4 143.3 19.3 407 410 A T G >4 S+ 0 0 88 -3,-0.5 3,-0.9 1,-0.2 4,-0.4 0.853 83.9 65.1 -67.5 -35.0 82.8 144.8 16.7 408 411 A A G <4 S+ 0 0 22 -3,-1.8 -1,-0.2 1,-0.2 3,-0.2 0.628 95.6 59.3 -63.7 -15.2 80.7 143.2 13.9 409 412 A L G X> S+ 0 0 0 -3,-1.0 4,-2.7 -4,-0.3 3,-2.5 0.775 82.3 80.6 -84.7 -30.3 77.7 145.5 14.9 410 413 A N T << S+ 0 0 56 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.1 0.769 81.1 65.5 -48.0 -35.6 79.4 148.8 14.4 411 414 A T T 34 S+ 0 0 124 -4,-0.4 -1,-0.3 -3,-0.2 3,-0.1 0.507 118.4 25.9 -69.0 -2.7 78.9 148.7 10.6 412 415 A H T <4 S+ 0 0 84 -3,-2.5 2,-0.5 1,-0.5 -2,-0.2 0.626 133.4 28.9-122.7 -50.1 75.1 149.0 11.3 413 416 A I S < S- 0 0 21 -4,-2.7 -1,-0.5 1,-0.1 5,-0.2 -0.983 93.5-110.7-119.1 127.8 74.9 150.7 14.7 414 417 A G > - 0 0 33 -2,-0.5 4,-2.4 -3,-0.1 3,-0.5 0.185 36.9 -89.9 -49.8 173.3 77.6 153.1 15.7 415 418 A Y H > S+ 0 0 176 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.873 125.8 61.4 -52.8 -40.1 80.3 152.6 18.4 416 419 A D H > S+ 0 0 95 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.889 109.5 37.4 -54.5 -48.8 77.8 154.2 20.8 417 420 A K H > S+ 0 0 85 -3,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.900 119.3 49.1 -72.4 -43.7 75.1 151.6 20.4 418 421 A A H X S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 3,-0.5 0.948 110.8 47.5 -61.2 -53.8 77.5 148.7 20.1 419 422 A A H X S+ 0 0 29 -4,-3.2 4,-1.2 1,-0.2 -1,-0.2 0.693 106.2 64.4 -62.1 -19.8 79.6 149.6 23.2 420 423 A E H X S+ 0 0 81 -4,-0.6 4,-2.0 -5,-0.3 -1,-0.2 0.921 104.8 40.3 -70.6 -47.4 76.2 150.0 25.0 421 424 A I H X S+ 0 0 0 -4,-1.4 4,-2.8 -3,-0.5 5,-0.2 0.835 113.9 54.7 -72.3 -30.9 75.2 146.4 24.8 422 425 A A H X S+ 0 0 19 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.798 110.2 47.6 -71.0 -30.3 78.7 145.2 25.5 423 426 A K H X S+ 0 0 155 -4,-1.2 4,-2.2 -5,-0.2 -2,-0.2 0.928 117.4 40.0 -74.6 -49.5 78.7 147.2 28.7 424 427 A K H X S+ 0 0 63 -4,-2.0 4,-3.9 2,-0.2 5,-0.4 0.944 114.2 53.0 -65.6 -49.5 75.3 146.1 29.9 425 428 A A H X>S+ 0 0 1 -4,-2.8 5,-3.0 1,-0.2 4,-1.8 0.903 112.6 45.6 -52.1 -47.3 75.9 142.4 28.8 426 429 A H H <5S+ 0 0 141 -4,-1.3 -1,-0.2 3,-0.2 -2,-0.2 0.917 117.7 43.8 -63.4 -45.3 79.1 142.4 30.8 427 430 A K H <5S+ 0 0 151 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.907 122.8 35.4 -66.6 -48.0 77.5 144.0 33.8 428 431 A E H <5S- 0 0 111 -4,-3.9 -1,-0.2 -5,-0.1 -2,-0.2 0.649 112.3-114.3 -83.1 -15.3 74.3 142.0 33.9 429 432 A G T <5 + 0 0 66 -4,-1.8 2,-0.3 -5,-0.4 -3,-0.2 0.896 67.9 141.3 80.8 42.6 76.0 138.8 32.7 430 433 A L < - 0 0 58 -5,-3.0 -1,-0.3 -6,-0.2 2,-0.1 -0.785 52.0-112.7-114.0 159.2 74.2 138.7 29.4 431 434 A T > - 0 0 52 -2,-0.3 4,-2.5 1,-0.1 5,-0.3 -0.297 39.5 -98.5 -81.1 173.7 75.4 137.7 25.9 432 435 A L H > S+ 0 0 3 -32,-0.5 4,-2.6 -30,-0.4 5,-0.1 0.936 125.3 43.8 -59.8 -45.1 75.7 140.3 23.1 433 436 A K H > S+ 0 0 51 -33,-0.3 4,-2.9 2,-0.2 5,-0.3 0.977 112.6 50.5 -62.9 -57.5 72.3 139.2 21.7 434 437 A A H > S+ 0 0 42 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.892 117.3 40.6 -46.7 -49.9 70.5 139.0 25.0 435 438 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.898 113.4 54.0 -68.5 -41.3 71.7 142.5 26.0 436 439 A A H <>S+ 0 0 0 -4,-2.6 5,-1.4 -5,-0.3 6,-0.7 0.872 109.9 47.8 -61.0 -39.8 71.1 143.8 22.5 437 440 A L H ><5S+ 0 0 64 -4,-2.9 3,-1.5 1,-0.2 -1,-0.2 0.888 109.7 51.4 -68.3 -43.5 67.5 142.6 22.5 438 441 A A H 3<5S+ 0 0 80 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.852 108.7 51.5 -62.8 -36.6 66.7 144.1 25.9 439 442 A L T 3<5S- 0 0 56 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.270 106.6-134.5 -82.9 9.3 68.1 147.5 24.8 440 443 A G T < 5 + 0 0 61 -3,-1.5 -3,-0.2 1,-0.1 -2,-0.1 0.621 65.2 131.7 45.3 23.2 65.8 147.2 21.8 441 444 A Y S - 0 0 48 -2,-0.3 4,-2.3 -3,-0.1 5,-0.2 -0.479 35.3-109.4 -95.1 167.7 66.0 142.0 16.7 444 447 A E H > S+ 0 0 100 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.911 120.7 53.0 -61.0 -41.7 67.3 138.5 17.2 445 448 A A H 4 S+ 0 0 71 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.849 110.7 45.8 -62.0 -39.2 67.1 137.9 13.4 446 449 A E H > S+ 0 0 77 2,-0.2 4,-1.2 1,-0.2 3,-0.5 0.851 112.6 50.8 -72.4 -37.6 69.1 141.1 12.7 447 450 A F H >X S+ 0 0 21 -4,-2.3 4,-2.8 1,-0.2 3,-1.0 0.968 109.1 51.0 -62.8 -51.4 71.7 140.1 15.4 448 451 A D H 3< S+ 0 0 68 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.580 114.5 44.8 -63.3 -11.7 72.0 136.6 13.9 449 452 A S H 34 S+ 0 0 52 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.584 116.6 43.8-106.1 -17.3 72.6 138.2 10.4 450 453 A W H << S+ 0 0 63 -4,-1.2 2,-1.3 -3,-1.0 -2,-0.2 0.812 102.2 63.5 -95.9 -41.3 75.0 140.9 11.5 451 454 A V < + 0 0 16 -4,-2.8 -1,-0.2 -5,-0.2 3,-0.1 -0.736 62.5 161.5 -90.2 90.8 77.3 139.0 13.9 452 455 A R > - 0 0 92 -2,-1.3 3,-2.1 1,-0.1 4,-0.5 -0.878 20.5-173.2-113.6 96.4 78.9 136.4 11.5 453 456 A P G > S+ 0 0 22 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.774 84.1 67.2 -58.3 -26.7 82.1 135.0 13.1 454 457 A E G 3 S+ 0 0 113 1,-0.2 3,-0.1 2,-0.1 -261,-0.0 0.572 102.1 48.3 -71.8 -7.5 82.8 133.2 9.9 455 458 A Q G < S+ 0 0 140 -3,-2.1 -1,-0.2 1,-0.1 -4,-0.0 0.515 98.9 62.0-109.9 -10.4 83.3 136.6 8.2 456 459 A M < 0 0 44 -3,-0.8 -2,-0.1 -4,-0.5 -1,-0.1 0.127 360.0 360.0-100.1 20.4 85.7 138.3 10.7 457 460 A V 0 0 90 -3,-0.1 -264,-0.6 -265,-0.1 -3,-0.1 0.223 360.0 360.0 58.2 360.0 88.2 135.5 10.0