==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 29-APR-11 3RRP . COMPND 2 MOLECULE: PROBABLE FUMARATE HYDRATASE FUM; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM ABSCESSUS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 925 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36482.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 655 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 5.0 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 . 8 0.9 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 . 21 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 456 49.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.4 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 5 0 0 3 1 2 2 0 0 3 0 2 1 1 2 3 2 0 0 0 2 2 2 2 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 2 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 8 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 3 A S 0 0 167 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 177.3 -30.9 37.1 -31.8 2 4 A E - 0 0 77 1,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.118 360.0 -86.0 -59.4 152.3 -27.1 37.2 -32.3 3 5 A Q - 0 0 91 1,-0.1 2,-0.3 15,-0.0 -1,-0.1 -0.375 45.2-147.2 -62.7 131.8 -24.6 36.4 -29.5 4 6 A Q - 0 0 118 -2,-0.1 15,-3.2 -3,-0.1 16,-0.3 -0.800 13.0-167.0-106.8 147.3 -23.7 39.4 -27.3 5 7 A Y E -A 18 0A 98 -2,-0.3 2,-0.3 13,-0.3 11,-0.1 -0.907 11.8-158.0-129.6 154.1 -20.4 40.2 -25.5 6 8 A R E -A 17 0A 70 11,-2.5 11,-2.7 -2,-0.3 2,-0.4 -0.908 35.3-102.6-121.5 160.2 -19.1 42.5 -22.8 7 9 A I E +A 16 0A 111 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.658 40.1 169.3 -92.5 131.4 -15.5 43.4 -22.5 8 10 A E E -A 15 0A 39 7,-2.5 7,-2.3 -2,-0.4 2,-0.3 -0.776 14.9-152.9-121.2 174.4 -13.1 41.9 -19.9 9 11 A H E +A 14 0A 132 -2,-0.3 16,-0.3 5,-0.3 5,-0.2 -0.999 16.8 175.7-150.2 154.1 -9.3 42.2 -19.7 10 12 A D E > -A 13 0A 14 3,-2.4 3,-1.0 -2,-0.3 765,-0.0 -0.626 59.3 -71.6-133.1-159.7 -6.2 40.6 -18.5 11 13 A T T 3 S+ 0 0 119 1,-0.3 3,-0.1 -2,-0.2 764,-0.0 0.519 130.9 53.7 -81.9 -0.7 -2.5 41.4 -18.7 12 14 A M T 3 S- 0 0 58 1,-0.4 2,-0.3 762,-0.0 -1,-0.3 0.469 119.7 -99.9-106.9 -8.6 -2.5 40.5 -22.4 13 15 A G E < -A 10 0A 31 -3,-1.0 -3,-2.4 2,-0.0 -1,-0.4 -0.849 59.3 -17.2 126.8-159.0 -5.4 42.9 -23.2 14 16 A E E -A 9 0A 150 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.3 -0.628 48.2-171.1 -94.9 142.5 -9.1 43.0 -23.8 15 17 A V E -A 8 0A 11 -7,-2.3 -7,-2.5 -2,-0.3 2,-0.6 -0.979 25.3-123.9-132.4 140.3 -11.2 40.0 -24.6 16 18 A R E -A 7 0A 155 -2,-0.4 -9,-0.2 -9,-0.2 8,-0.0 -0.780 32.5-168.5 -84.8 120.5 -14.9 39.8 -25.7 17 19 A V E -A 6 0A 0 -11,-2.7 -11,-2.5 -2,-0.6 8,-0.1 -0.938 31.6 -97.3-115.5 131.5 -16.7 37.5 -23.3 18 20 A P E > -A 5 0A 18 0, 0.0 3,-2.0 0, 0.0 -13,-0.3 -0.175 33.6-125.2 -49.1 135.3 -20.3 36.2 -23.9 19 21 A A T 3 S+ 0 0 52 -15,-3.2 -14,-0.1 1,-0.3 -16,-0.0 0.801 107.2 50.1 -58.7 -37.1 -22.8 38.4 -22.0 20 22 A E T 3 S+ 0 0 126 -16,-0.3 -1,-0.3 2,-0.0 2,-0.3 0.485 91.0 105.7 -78.6 -2.3 -24.5 35.5 -20.1 21 23 A A < - 0 0 6 -3,-2.0 68,-0.1 1,-0.1 -4,-0.1 -0.595 54.4-162.1 -86.8 139.8 -21.1 34.2 -18.9 22 24 A L S S+ 0 0 16 -2,-0.3 91,-0.4 64,-0.1 92,-0.1 0.510 71.3 89.8 -88.9 -11.7 -19.8 34.5 -15.4 23 25 A W - 0 0 30 1,-0.1 2,-0.1 -5,-0.1 83,-0.1 -0.419 65.5-153.6 -78.8 166.5 -16.3 33.8 -16.5 24 26 A R > - 0 0 50 81,-0.2 4,-2.1 -2,-0.1 5,-0.2 -0.218 39.8 -44.8-123.4-149.5 -14.0 36.6 -17.7 25 27 A A H > S+ 0 0 0 -16,-0.3 4,-2.2 1,-0.2 5,-0.1 0.855 125.2 44.4 -57.7 -49.5 -11.0 37.3 -19.9 26 28 A Q H > S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 113.4 50.6 -73.1 -39.6 -8.6 34.4 -19.2 27 29 A T H > S+ 0 0 0 78,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.927 110.0 52.0 -55.5 -46.2 -11.3 31.7 -19.3 28 30 A Q H X S+ 0 0 14 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.910 107.1 51.8 -62.5 -42.6 -12.5 33.1 -22.7 29 31 A R H X S+ 0 0 37 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.924 110.0 50.1 -54.3 -46.9 -9.0 32.9 -24.1 30 32 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 63,-0.3 0.815 105.9 55.9 -66.4 -33.0 -8.8 29.3 -23.0 31 33 A V H < S+ 0 0 47 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.936 114.9 38.7 -60.9 -44.7 -12.1 28.6 -24.7 32 34 A E H < S+ 0 0 91 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.821 118.5 50.6 -74.9 -30.3 -10.7 29.9 -28.0 33 35 A N H < S+ 0 0 8 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.842 115.1 33.8 -79.3 -37.7 -7.3 28.3 -27.4 34 36 A F < + 0 0 1 -4,-2.4 2,-2.4 -5,-0.1 3,-0.4 -0.136 56.6 148.7-118.6 40.2 -8.3 24.7 -26.5 35 37 A P + 0 0 67 0, 0.0 807,-0.1 0, 0.0 -4,-0.1 -0.408 39.1 120.3 -75.9 82.2 -11.4 23.4 -28.4 36 38 A I S S+ 0 0 1 -2,-2.4 802,-0.2 3,-0.1 803,-0.1 0.879 78.0 7.1-114.8 -61.1 -10.0 19.9 -28.5 37 39 A S S S- 0 0 35 -3,-0.4 3,-0.1 2,-0.3 798,-0.1 0.626 81.7-132.4-101.1 -20.8 -12.3 17.3 -26.8 38 40 A G S S+ 0 0 76 -4,-0.3 2,-0.4 1,-0.3 55,-0.0 0.574 73.2 111.6 73.1 9.0 -15.3 19.5 -26.1 39 41 A R - 0 0 42 3,-0.0 55,-2.2 0, 0.0 56,-0.3 -0.943 46.4-172.7-115.4 138.4 -15.4 18.1 -22.5 40 42 A G B -B 93 0B 20 -2,-0.4 53,-0.2 53,-0.3 54,-0.1 -0.342 44.3 -40.8-109.6-169.0 -14.5 20.3 -19.5 41 43 A L - 0 0 16 51,-0.5 -1,-0.3 49,-0.2 49,-0.1 -0.268 64.5-116.6 -53.6 141.1 -14.0 19.6 -15.8 42 44 A E > - 0 0 113 -3,-0.1 4,-2.3 1,-0.1 3,-0.4 -0.321 27.6-101.0 -73.4 163.4 -16.4 17.1 -14.2 43 45 A R H > S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.847 124.5 53.5 -47.2 -43.6 -18.9 17.9 -11.4 44 46 A T H > S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.890 109.8 47.3 -65.0 -37.0 -16.5 16.3 -8.9 45 47 A Q H > S+ 0 0 12 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.827 111.4 49.2 -77.6 -36.2 -13.6 18.6 -10.1 46 48 A I H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.899 110.0 52.8 -66.1 -40.4 -15.6 21.8 -10.0 47 49 A R H X S+ 0 0 87 -4,-2.1 4,-3.0 -5,-0.2 -2,-0.2 0.951 109.9 47.9 -58.3 -50.2 -16.8 20.9 -6.5 48 50 A A H X S+ 0 0 4 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.881 111.5 49.8 -57.1 -43.7 -13.2 20.4 -5.3 49 51 A L H X S+ 0 0 2 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.935 112.0 49.5 -63.3 -45.4 -12.1 23.7 -6.9 50 52 A G H X S+ 0 0 2 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.931 112.3 46.5 -55.1 -50.9 -15.0 25.4 -5.2 51 53 A L H X S+ 0 0 25 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.929 113.8 48.8 -61.9 -45.6 -14.2 23.9 -1.8 52 54 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.906 108.1 52.3 -59.0 -47.1 -10.5 24.8 -2.1 53 55 A K H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.855 111.7 48.5 -60.3 -33.8 -11.1 28.4 -3.1 54 56 A G H X S+ 0 0 11 -4,-1.6 4,-2.8 -5,-0.2 -1,-0.2 0.904 110.3 49.6 -70.6 -43.9 -13.3 28.8 -0.1 55 57 A A H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.913 110.4 50.8 -64.8 -41.4 -10.9 27.3 2.3 56 58 A C H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 5,-0.2 0.948 111.9 46.9 -60.6 -50.6 -8.0 29.6 1.0 57 59 A A H X S+ 0 0 3 -4,-1.9 4,-3.0 -5,-0.2 -1,-0.2 0.900 110.6 54.1 -54.6 -42.4 -10.2 32.6 1.4 58 60 A Q H X S+ 0 0 62 -4,-2.8 4,-3.1 2,-0.2 -2,-0.2 0.960 112.6 42.2 -57.4 -50.5 -11.1 31.4 4.9 59 61 A V H X S+ 0 0 1 -4,-2.7 4,-2.7 2,-0.2 6,-0.3 0.928 112.3 52.8 -65.7 -46.7 -7.5 31.1 5.9 60 62 A N H <>S+ 0 0 1 -4,-3.3 5,-2.0 -5,-0.2 6,-1.2 0.935 113.2 46.5 -51.9 -45.1 -6.5 34.4 4.2 61 63 A K H ><5S+ 0 0 72 -4,-3.0 3,-1.8 -5,-0.2 -2,-0.2 0.967 110.8 52.0 -59.3 -53.3 -9.3 35.9 6.3 62 64 A D H 3<5S+ 0 0 105 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.839 111.2 46.8 -50.5 -41.7 -8.2 34.1 9.5 63 65 A L T 3<5S- 0 0 70 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.395 114.6-113.3 -88.0 3.3 -4.6 35.4 9.1 64 66 A G T < 5S+ 0 0 65 -3,-1.8 -3,-0.2 -4,-0.4 -2,-0.1 0.582 85.9 115.8 78.3 12.9 -5.6 39.0 8.4 65 67 A L S > - 0 0 67 -2,-0.4 4,-2.7 -3,-0.1 3,-0.6 -0.149 27.7-116.7 -59.4 144.5 -10.5 41.8 4.5 68 70 A A H 3> S+ 0 0 50 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.836 111.7 53.7 -53.8 -44.2 -13.7 40.2 5.9 69 71 A E H 3> S+ 0 0 133 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.896 114.4 42.5 -58.2 -42.3 -16.1 41.7 3.3 70 72 A K H <> S+ 0 0 71 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.935 116.4 47.0 -69.2 -47.1 -13.9 40.3 0.5 71 73 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.919 111.5 50.6 -62.9 -43.4 -13.3 36.9 2.1 72 74 A D H X S+ 0 0 77 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.903 111.3 48.6 -65.4 -39.7 -16.9 36.4 3.0 73 75 A A H X S+ 0 0 16 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 0.839 111.8 48.8 -68.4 -36.4 -18.0 37.2 -0.6 74 76 A I H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.888 112.6 49.4 -67.7 -37.9 -15.4 34.8 -2.0 75 77 A I H X S+ 0 0 41 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.874 110.5 48.3 -71.0 -41.1 -16.6 32.0 0.4 76 78 A A H X S+ 0 0 54 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.919 116.1 44.5 -63.7 -44.1 -20.3 32.5 -0.4 77 79 A A H X S+ 0 0 1 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.928 113.2 50.6 -66.8 -46.4 -19.5 32.4 -4.1 78 80 A A H X S+ 0 0 1 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.865 107.0 55.2 -58.2 -38.9 -17.1 29.4 -3.6 79 81 A Q H X S+ 0 0 94 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.934 106.9 50.5 -59.3 -42.8 -19.9 27.6 -1.7 80 82 A E H <>S+ 0 0 69 -4,-1.8 5,-2.2 2,-0.2 6,-0.4 0.854 111.2 48.5 -63.3 -37.4 -22.3 28.0 -4.7 81 83 A I H ><5S+ 0 0 0 -4,-1.8 3,-1.7 1,-0.2 5,-0.3 0.942 110.3 50.3 -69.1 -47.8 -19.7 26.6 -7.0 82 84 A A H 3<5S+ 0 0 2 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.859 107.5 56.1 -51.6 -41.7 -19.1 23.7 -4.6 83 85 A D T 3<5S- 0 0 85 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.437 118.0-111.0 -78.1 -0.3 -22.8 23.1 -4.6 84 86 A G T X 5S+ 0 0 29 -3,-1.7 3,-0.6 -5,-0.1 -3,-0.2 0.646 78.8 128.2 84.4 15.6 -23.1 22.8 -8.4 85 87 A K T 3 + 0 0 24 -6,-0.4 3,-1.8 -5,-0.3 -1,-0.2 -0.014 67.0 125.8-134.9 31.6 -22.4 27.1 -11.7 87 89 A D G X S+ 0 0 50 -3,-0.6 3,-1.8 1,-0.3 -1,-0.1 0.864 74.8 61.4 -60.7 -36.1 -21.2 24.1 -13.7 88 90 A D G 3 S+ 0 0 122 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.522 93.1 68.3 -65.9 -4.7 -22.1 25.7 -17.0 89 91 A Q G < S+ 0 0 24 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.340 84.7 72.4-100.1 6.0 -19.6 28.4 -16.0 90 92 A F < + 0 0 9 -3,-1.8 -49,-0.2 1,-0.1 -1,-0.2 -0.663 53.0 149.4-114.2 73.9 -16.6 26.1 -16.4 91 93 A P + 0 0 55 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.434 27.6 124.7 -88.2 1.0 -16.5 25.6 -20.2 92 94 A I - 0 0 1 1,-0.1 -51,-0.5 -3,-0.1 -61,-0.1 -0.406 63.4-112.8 -72.1 136.9 -12.7 25.1 -20.5 93 95 A D B -B 40 0B 11 -63,-0.3 3,-0.5 -53,-0.2 -53,-0.3 -0.148 14.4-123.7 -60.0 153.5 -11.5 21.9 -22.2 94 96 A V S S+ 0 0 7 -55,-2.2 2,-2.1 1,-0.2 -1,-0.1 0.940 108.2 67.3 -57.5 -46.1 -9.7 19.1 -20.4 95 97 A F S S+ 0 0 0 -56,-0.3 -1,-0.2 -61,-0.2 -2,-0.1 -0.224 77.1 122.2 -82.7 54.1 -6.9 19.6 -22.9 96 98 A Q S S- 0 0 0 -2,-2.1 699,-0.1 -3,-0.5 4,-0.0 -0.278 77.3 -38.5 -94.9-178.5 -5.8 23.1 -21.6 97 99 A T > - 0 0 1 1,-0.1 3,-2.1 -2,-0.1 -1,-0.3 -0.198 66.2-117.9 -45.5 136.0 -2.4 24.2 -20.3 98 100 A G T 3 S+ 0 0 0 1,-0.3 261,-2.0 259,-0.3 260,-0.2 0.416 108.5 57.0 -72.2 -1.7 -1.0 21.3 -18.2 99 101 A S T 3 S- 0 0 3 258,-0.2 -1,-0.3 259,-0.1 41,-0.2 0.491 109.8-117.4 -94.9 -8.5 -0.9 23.2 -14.9 100 102 A G <> + 0 0 0 -3,-2.1 4,-2.5 257,-0.1 5,-0.2 0.744 63.8 149.5 67.3 28.5 -4.6 23.9 -15.0 101 103 A T H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.914 71.4 52.1 -52.8 -43.0 -3.8 27.7 -15.1 102 104 A S H > S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.908 110.7 43.2 -64.7 -49.3 -7.0 28.2 -17.1 103 105 A S H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.830 112.6 54.4 -66.7 -34.3 -9.4 26.3 -14.8 104 106 A N H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.939 112.6 43.4 -62.9 -44.0 -7.8 28.0 -11.8 105 107 A M H X S+ 0 0 0 -4,-2.5 4,-3.4 -5,-0.2 5,-0.3 0.824 108.0 60.9 -66.1 -34.9 -8.5 31.4 -13.4 106 108 A N H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.950 108.4 42.5 -53.2 -52.0 -11.9 30.1 -14.4 107 109 A A H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.914 115.0 50.5 -64.7 -42.6 -12.7 29.6 -10.7 108 110 A N H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.914 114.4 43.2 -62.4 -45.5 -11.1 33.0 -9.8 109 111 A E H X S+ 0 0 5 -4,-3.4 4,-2.2 2,-0.2 -1,-0.2 0.891 113.0 51.3 -68.3 -41.0 -13.1 34.9 -12.5 110 112 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 5,-0.2 0.957 109.6 49.5 -66.0 -48.9 -16.4 33.1 -11.8 111 113 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.879 110.3 52.7 -51.7 -42.3 -16.2 33.9 -8.1 112 114 A A H X S+ 0 0 1 -4,-1.6 4,-1.5 -5,-0.2 12,-0.3 0.906 110.3 46.8 -64.5 -40.5 -15.4 37.5 -8.9 113 115 A S H X S+ 0 0 10 -4,-2.2 4,-1.1 -91,-0.4 -1,-0.2 0.865 112.9 49.3 -69.1 -38.2 -18.5 37.8 -11.2 114 116 A I H >< S+ 0 0 12 -4,-2.5 3,-0.7 1,-0.2 4,-0.3 0.943 110.5 50.2 -63.6 -49.7 -20.7 36.1 -8.5 115 117 A A H >< S+ 0 0 2 -4,-2.8 7,-2.7 1,-0.2 3,-0.6 0.810 108.1 54.6 -59.9 -31.1 -19.4 38.5 -5.8 116 118 A A H 3< S+ 0 0 42 -4,-1.5 -1,-0.2 5,-0.3 -2,-0.2 0.767 109.3 46.0 -75.3 -27.1 -20.1 41.5 -8.1 117 119 A Q T << S+ 0 0 140 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.314 93.8 106.5-100.8 13.0 -23.8 40.5 -8.7 118 120 A A S < S- 0 0 43 -3,-0.6 -3,-0.1 -4,-0.3 -45,-0.0 -0.122 84.7 -75.9 -75.4 178.1 -24.4 39.8 -5.0 119 121 A T S S+ 0 0 145 1,-0.3 -2,-0.1 2,-0.1 -3,-0.0 -0.899 128.8 17.5-123.3 100.9 -26.4 42.0 -2.5 120 122 A P S S- 0 0 85 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.549 108.6-116.4 -85.3 163.9 -24.6 44.2 -1.9 121 123 A P - 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0 0 33 -4,-2.1 4,-2.4 -5,-0.6 5,-0.2 0.271 32.1 -83.1 80.9 149.1 42.4 11.9 -36.9 878 417 B Y H > S+ 0 0 171 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.854 123.3 53.4 -53.8 -44.2 39.8 11.4 -34.2 879 418 B E H > S+ 0 0 168 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.904 112.1 42.6 -67.0 -43.7 42.1 11.1 -31.2 880 419 B E H X S+ 0 0 53 -4,-0.5 4,-2.5 2,-0.2 3,-0.3 0.917 112.7 54.4 -66.0 -44.0 44.0 14.4 -31.9 881 420 B A H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.895 107.1 52.1 -56.8 -38.3 40.7 16.1 -32.7 882 421 B A H X S+ 0 0 46 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.844 108.0 50.9 -61.0 -36.3 39.4 14.9 -29.3 883 422 B A H X S+ 0 0 32 -4,-1.3 4,-2.4 -3,-0.3 -2,-0.2 0.887 108.7 51.7 -74.2 -36.6 42.5 16.4 -27.7 884 423 B V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.907 111.2 47.7 -57.2 -48.4 41.8 19.7 -29.5 885 424 B A H X S+ 0 0 21 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.920 113.6 46.4 -60.5 -46.0 38.2 19.7 -28.2 886 425 B K H X S+ 0 0 62 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.878 113.8 48.3 -68.5 -40.3 39.2 19.0 -24.6 887 426 B E H X S+ 0 0 51 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.891 110.7 51.0 -67.2 -39.8 41.9 21.6 -24.7 888 427 B A H X>S+ 0 0 5 -4,-2.3 5,-2.7 1,-0.2 4,-0.8 0.932 114.4 44.1 -60.8 -45.8 39.6 24.2 -26.1 889 428 B L H <5S+ 0 0 125 -4,-2.2 3,-0.4 3,-0.2 -2,-0.2 0.915 115.1 46.0 -68.5 -45.5 37.0 23.6 -23.5 890 429 B K H <5S+ 0 0 86 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.831 121.6 37.4 -71.2 -31.9 39.4 23.4 -20.5 891 430 B E H <5S- 0 0 134 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.457 107.0-122.2 -96.8 -2.0 41.3 26.6 -21.5 892 431 B R T <5 + 0 0 94 -4,-0.8 2,-0.3 -3,-0.4 -3,-0.2 0.981 66.2 138.8 54.1 56.1 38.2 28.4 -22.8 893 432 B K < - 0 0 60 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.847 56.4-101.3-120.7 162.7 39.8 28.8 -26.2 894 433 B T > - 0 0 90 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.368 27.9-116.9 -77.8 163.6 38.2 28.4 -29.7 895 434 B I H > S+ 0 0 9 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.951 114.6 51.9 -61.5 -53.8 38.7 25.3 -31.8 896 435 B R H > S+ 0 0 91 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.920 112.5 45.3 -47.9 -52.4 40.5 27.2 -34.5 897 436 B Q H > S+ 0 0 78 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.850 110.9 53.6 -64.1 -37.9 43.0 28.7 -32.0 898 437 B T H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.924 106.6 51.8 -64.5 -41.6 43.5 25.4 -30.3 899 438 B V H <>S+ 0 0 0 -4,-2.7 5,-1.9 2,-0.2 6,-0.3 0.952 113.6 45.0 -57.0 -49.7 44.4 23.7 -33.6 900 439 B I H ><5S+ 0 0 54 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.935 112.9 50.4 -57.2 -52.2 46.9 26.4 -34.2 901 440 B D H 3<5S+ 0 0 78 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.819 105.6 56.2 -54.7 -40.1 48.3 26.2 -30.6 902 441 B R T 3<5S- 0 0 95 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.361 116.2-115.2 -81.5 4.3 48.7 22.4 -30.8 903 442 B G T < 5S+ 0 0 57 -3,-1.7 -3,-0.2 -4,-0.1 -2,-0.1 0.830 71.6 136.2 72.8 39.0 50.9 22.9 -33.9 904 443 B L < + 0 0 8 -5,-1.9 5,-0.4 2,-0.1 4,-0.3 0.676 36.8 99.8 -97.0 -19.7 48.6 21.1 -36.4 905 444 B I + 0 0 57 -6,-0.3 2,-0.3 -5,-0.2 5,-0.2 -0.535 65.7 66.1 -63.2 128.6 49.0 23.7 -39.2 906 445 B G B > S-N 909 0N 49 3,-1.9 3,-0.8 -2,-0.3 -2,-0.1 -0.968 109.3 -11.1 152.9-145.5 51.5 22.2 -41.7 907 446 B D T 3 S+ 0 0 122 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 0.795 133.5 54.1 -57.7 -32.9 51.5 19.1 -43.9 908 447 B K T 3 S- 0 0 132 -4,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.813 124.5 -3.2 -65.8 -37.1 48.3 17.8 -42.2 909 448 B L B < -N 906 0N 7 -3,-0.8 -3,-1.9 -5,-0.4 -1,-0.2 -0.912 59.9-139.6-172.0 123.4 46.2 20.9 -42.7 910 449 B S > - 0 0 61 -2,-0.3 4,-2.5 -5,-0.2 5,-0.1 -0.505 30.4-117.3 -85.2 158.0 46.5 24.5 -44.1 911 450 B I H > S+ 0 0 84 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.893 118.1 57.3 -54.6 -45.2 44.9 27.5 -42.5 912 451 B E H > S+ 0 0 74 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 110.7 43.6 -53.4 -44.7 42.8 27.9 -45.7 913 452 B E H > S+ 0 0 80 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.908 109.7 54.7 -69.1 -48.6 41.4 24.3 -45.0 914 453 B L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.956 113.8 42.2 -46.5 -56.2 40.9 24.8 -41.3 915 454 B D H X S+ 0 0 65 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.880 112.9 53.3 -64.3 -39.3 38.8 27.9 -42.0 916 455 B K H < S+ 0 0 57 -4,-2.2 3,-0.4 -5,-0.3 -1,-0.2 0.917 115.3 40.6 -57.9 -45.4 36.9 26.2 -44.9 917 456 B R H < S+ 0 0 52 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.713 109.8 57.0 -79.4 -25.0 36.0 23.2 -42.7 918 457 B L H < S+ 0 0 21 -4,-2.0 2,-0.4 -5,-0.2 -1,-0.2 0.557 74.6 118.0 -84.0 -9.0 35.1 25.2 -39.5 919 458 B D X - 0 0 77 -4,-0.8 4,-2.6 -3,-0.4 3,-0.2 -0.458 57.2-152.6 -59.6 113.6 32.5 27.3 -41.3 920 459 B V H > S+ 0 0 3 -2,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.786 90.5 51.5 -67.0 -29.8 29.2 26.4 -39.5 921 460 B L H 4>S+ 0 0 64 2,-0.2 5,-0.6 1,-0.2 4,-0.4 0.874 113.0 44.7 -76.6 -36.1 26.9 27.1 -42.5 922 461 B A H >45S+ 0 0 54 2,-0.2 3,-1.8 1,-0.2 -2,-0.2 0.929 110.8 56.8 -64.2 -45.8 29.0 24.9 -44.8 923 462 B M H 3<5S+ 0 0 34 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.844 99.7 56.4 -56.7 -41.2 29.1 22.3 -42.0 924 463 B A T 3<5S- 0 0 7 -4,-1.7 -1,-0.3 -5,-0.1 -269,-0.2 0.661 97.3-151.0 -66.6 -15.8 25.3 22.2 -41.8 925 464 B K T < 5 0 0 175 -3,-1.8 -3,-0.1 -4,-0.4 -2,-0.1 0.894 360.0 360.0 51.1 62.3 25.5 21.3 -45.6 926 465 B V < 0 0 106 -5,-0.6 -1,-0.1 -272,-0.0 -287,-0.1 -0.013 360.0 360.0 -56.4 360.0 22.1 22.8 -46.6