==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 27-MAR-09 3GTD . COMPND 2 MOLECULE: FUMARATE HYDRATASE CLASS II; . SOURCE 2 ORGANISM_SCIENTIFIC: RICKETTSIA PROWAZEKII; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 855 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34619.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 614 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 4.9 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 . 6 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 . 28 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 433 50.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.6 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 0 0 2 1 3 2 1 0 0 2 1 1 3 0 0 2 4 0 0 2 2 2 0 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 . 4 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 N 0 0 145 0, 0.0 15,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 9.1 -2.9 48.7 36.8 2 4 A Y E -A 15 0A 130 13,-0.3 2,-0.3 14,-0.1 13,-0.2 -0.931 360.0-160.4-125.5 150.3 -3.2 45.7 34.4 3 5 A R E -A 14 0A 39 11,-2.9 11,-2.8 -2,-0.3 2,-0.4 -0.934 21.4-127.2-121.9 149.8 -5.8 44.4 31.9 4 6 A I E +A 13 0A 104 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.796 29.2 174.1-101.6 138.7 -5.9 40.9 30.6 5 7 A E E -A 12 0A 18 7,-2.3 7,-1.9 -2,-0.4 2,-0.3 -0.843 11.3-150.4-133.5 171.3 -6.1 40.1 26.8 6 8 A S E +A 11 0A 60 -2,-0.3 16,-0.3 5,-0.2 2,-0.2 -0.999 17.2 165.1-149.8 149.6 -5.9 36.9 24.7 7 9 A D E > -A 10 0A 17 3,-1.7 3,-1.5 -2,-0.3 -2,-0.0 -0.788 62.6 -67.0-140.7-173.5 -4.9 35.4 21.4 8 10 A S T 3 S+ 0 0 115 1,-0.3 3,-0.1 -2,-0.2 761,-0.0 0.813 131.4 52.7 -47.4 -36.3 -4.4 31.8 19.9 9 11 A F T 3 S- 0 0 84 1,-0.2 2,-0.3 759,-0.1 -1,-0.3 0.667 114.8-111.2 -80.6 -19.6 -1.4 31.3 22.2 10 12 A G E < -A 7 0A 30 -3,-1.5 -3,-1.7 2,-0.0 2,-0.3 -0.951 55.5 -3.4 135.5-146.5 -3.3 32.2 25.5 11 13 A E E +A 6 0A 154 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.662 52.0 169.7 -98.3 143.4 -3.5 34.9 28.2 12 14 A I E -A 5 0A 22 -7,-1.9 -7,-2.3 -2,-0.3 2,-0.4 -0.995 27.6-120.5-156.0 146.3 -1.2 37.9 28.6 13 15 A Q E -A 4 0A 111 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.744 21.2-173.0 -98.3 133.2 -1.1 41.1 30.7 14 16 A I E -A 3 0A 0 -11,-2.8 -11,-2.9 -2,-0.4 2,-0.1 -0.972 37.0-103.8-120.3 135.5 -1.1 44.7 29.3 15 17 A E E > -A 2 0A 78 -2,-0.4 3,-1.7 -13,-0.2 -13,-0.3 -0.393 37.9-123.8 -58.1 132.9 -0.6 47.9 31.4 16 18 A E T 3 S+ 0 0 94 -15,-2.7 -14,-0.1 1,-0.3 -1,-0.1 0.732 101.9 56.2 -59.8 -35.7 -4.1 49.4 31.8 17 19 A K T 3 S+ 0 0 121 -16,-0.3 -1,-0.3 2,-0.0 2,-0.3 0.587 91.9 85.5 -77.1 -12.1 -3.5 52.9 30.3 18 20 A F < - 0 0 38 -3,-1.7 -4,-0.0 1,-0.1 68,-0.0 -0.678 67.3-148.6 -92.1 150.1 -2.2 51.6 27.0 19 21 A Y + 0 0 31 -2,-0.3 91,-0.2 64,-0.1 102,-0.2 0.565 60.7 103.7 -95.4 -11.9 -4.6 50.7 24.2 20 22 A W - 0 0 9 1,-0.1 83,-0.1 90,-0.1 2,-0.1 -0.096 58.6-136.2 -70.2 172.9 -2.8 47.9 22.4 21 23 A G > - 0 0 4 81,-0.2 4,-1.7 100,-0.1 5,-0.2 -0.146 34.1 -63.5-116.3-154.0 -3.7 44.2 22.7 22 24 A A H > S+ 0 0 2 -16,-0.3 4,-2.1 1,-0.2 5,-0.1 0.911 123.7 48.4 -68.9 -46.9 -2.3 40.7 23.2 23 25 A Q H > S+ 0 0 53 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.859 111.9 50.4 -66.8 -34.1 -0.3 40.3 20.0 24 26 A T H > S+ 0 0 0 2,-0.2 4,-2.0 78,-0.2 -1,-0.2 0.903 111.6 47.4 -68.6 -41.0 1.4 43.7 20.4 25 27 A Q H X S+ 0 0 26 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.857 110.9 52.7 -68.4 -36.6 2.4 42.9 24.0 26 28 A R H X S+ 0 0 38 -4,-2.1 4,-1.5 2,-0.2 3,-0.4 0.954 111.7 44.9 -60.7 -52.8 3.7 39.5 22.9 27 29 A S H X S+ 0 0 6 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.849 109.4 57.3 -58.7 -36.3 5.8 41.1 20.2 28 30 A L H < S+ 0 0 46 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.863 111.9 41.3 -65.2 -35.0 6.9 43.7 22.8 29 31 A N H < S+ 0 0 70 -4,-1.6 3,-0.3 -3,-0.4 -1,-0.2 0.699 117.4 46.7 -82.8 -22.6 8.2 40.9 25.1 30 32 A N H < S+ 0 0 26 -4,-1.5 2,-0.2 1,-0.2 -2,-0.2 0.545 109.8 49.4-102.3 -12.3 9.8 38.8 22.3 31 33 A F < + 0 0 6 -4,-1.4 2,-1.5 -5,-0.2 59,-0.4 -0.592 57.0 158.2-129.7 69.9 11.7 41.4 20.3 32 34 A K + 0 0 150 -3,-0.3 2,-0.6 -2,-0.2 801,-0.1 -0.614 22.9 147.0 -90.1 71.8 13.7 43.4 22.8 33 35 A I - 0 0 1 -2,-1.5 59,-0.4 1,-0.1 3,-0.3 -0.905 63.5 -63.4-119.1 98.0 16.2 44.5 20.1 34 36 A S - 0 0 14 -2,-0.6 -1,-0.1 791,-0.2 56,-0.1 -0.109 69.4 -76.3 54.9-151.2 17.5 48.0 20.8 35 37 A K S S+ 0 0 137 -3,-0.1 2,-1.1 2,-0.1 -1,-0.2 0.317 76.9 128.6-128.7 3.8 15.2 51.1 20.8 36 38 A Q - 0 0 32 -3,-0.3 55,-3.0 54,-0.0 56,-0.3 -0.542 38.1-170.6 -79.8 99.3 14.4 51.9 17.1 37 39 A K B -B 90 0B 94 -2,-1.1 53,-0.2 53,-0.3 54,-0.1 -0.288 38.4 -77.4 -79.7 166.7 10.6 52.2 16.9 38 40 A M - 0 0 8 51,-1.2 -1,-0.1 49,-0.3 5,-0.1 -0.473 62.0 -98.7 -61.0 135.6 8.6 52.5 13.7 39 41 A P >> - 0 0 24 0, 0.0 4,-1.7 0, 0.0 3,-1.3 -0.282 27.3-117.6 -58.3 144.0 8.9 56.1 12.4 40 42 A K H 3> S+ 0 0 112 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.822 113.3 53.0 -48.0 -41.6 5.9 58.5 13.2 41 43 A I H 3> S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.704 105.6 52.9 -78.5 -19.3 5.1 59.0 9.5 42 44 A L H <> S+ 0 0 1 -3,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.871 108.5 49.9 -77.7 -41.7 4.9 55.2 8.8 43 45 A I H X S+ 0 0 18 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.921 111.6 50.4 -57.9 -42.9 2.4 54.7 11.6 44 46 A R H X S+ 0 0 95 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.940 108.8 50.7 -60.8 -48.8 0.5 57.6 10.1 45 47 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.878 109.9 50.7 -54.1 -42.4 0.6 56.0 6.7 46 48 A L H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.857 109.5 50.3 -68.1 -37.3 -0.7 52.7 8.2 47 49 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.911 109.6 50.3 -64.5 -44.7 -3.6 54.6 10.0 48 50 A I H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.927 108.9 54.4 -58.5 -43.2 -4.6 56.3 6.7 49 51 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.926 109.8 45.3 -56.0 -48.5 -4.5 52.8 5.1 50 52 A K H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.840 109.2 56.2 -68.0 -33.7 -6.9 51.4 7.8 51 53 A K H X S+ 0 0 16 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.913 113.2 40.4 -62.6 -44.2 -9.2 54.4 7.4 52 54 A C H X S+ 0 0 4 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.839 113.4 53.0 -74.3 -37.4 -9.6 53.9 3.7 53 55 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.879 109.6 49.5 -66.3 -39.1 -9.8 50.1 3.9 54 56 A A H X S+ 0 0 6 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.866 110.9 49.7 -67.2 -37.6 -12.7 50.3 6.5 55 57 A Q H X S+ 0 0 65 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.913 112.7 46.0 -70.1 -41.5 -14.6 52.8 4.3 56 58 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.925 112.3 51.6 -64.9 -44.0 -14.3 50.6 1.2 57 59 A N H <>S+ 0 0 9 -4,-2.5 5,-2.6 1,-0.2 6,-0.4 0.925 109.9 49.9 -55.3 -46.6 -15.3 47.5 3.3 58 60 A Y H ><5S+ 0 0 115 -4,-2.3 3,-1.2 4,-0.2 5,-0.2 0.883 108.0 52.8 -58.8 -43.0 -18.3 49.5 4.5 59 61 A E H 3<5S+ 0 0 93 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.811 106.9 53.0 -62.6 -32.4 -19.2 50.4 0.9 60 62 A F T 3<5S- 0 0 59 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.488 119.9-112.9 -81.0 -3.4 -19.1 46.7 -0.0 61 63 A G T < 5S+ 0 0 54 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.621 86.1 119.0 82.8 15.7 -21.5 46.0 2.9 62 64 A D < + 0 0 47 -5,-2.6 2,-0.3 -6,-0.2 -4,-0.2 0.270 67.1 50.8-102.9 7.8 -18.8 44.1 4.8 63 65 A L S S- 0 0 9 -6,-0.4 -2,-0.2 -5,-0.2 2,-0.1 -0.977 84.1-123.3-137.8 137.8 -18.8 46.3 7.9 64 66 A E > - 0 0 142 -2,-0.3 4,-2.8 1,-0.1 3,-0.3 -0.403 28.4-110.6 -73.7 153.0 -21.9 47.5 9.9 65 67 A Y H > S+ 0 0 154 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.890 115.5 51.6 -49.5 -52.1 -22.6 51.2 10.3 66 68 A K H > S+ 0 0 125 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.890 115.4 41.6 -53.4 -45.2 -21.9 51.2 14.1 67 69 A I H > S+ 0 0 19 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.893 114.8 48.2 -77.0 -42.1 -18.5 49.5 13.6 68 70 A A H X S+ 0 0 9 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.873 113.4 48.3 -67.6 -38.6 -17.3 51.4 10.5 69 71 A T H X S+ 0 0 40 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.915 113.0 46.7 -70.0 -43.2 -18.2 54.8 12.0 70 72 A S H X S+ 0 0 2 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.867 111.9 51.6 -64.4 -36.8 -16.5 54.1 15.3 71 73 A I H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.969 110.4 49.0 -62.2 -50.6 -13.4 52.8 13.4 72 74 A D H X S+ 0 0 42 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.889 112.6 47.1 -55.7 -46.6 -13.3 56.0 11.4 73 75 A K H X S+ 0 0 100 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.890 111.1 51.4 -64.0 -40.6 -13.6 58.2 14.5 74 76 A A H X S+ 0 0 2 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.925 109.6 50.3 -62.0 -42.4 -10.9 56.2 16.3 75 77 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 3,-0.4 0.908 104.5 57.0 -65.5 -40.9 -8.5 56.6 13.4 76 78 A D H X S+ 0 0 70 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.867 104.8 53.2 -56.9 -38.2 -9.0 60.4 13.2 77 79 A R H X>S+ 0 0 75 -4,-1.5 5,-2.3 2,-0.2 4,-0.5 0.857 109.0 49.0 -65.5 -33.4 -7.9 60.6 16.8 78 80 A I H ><5S+ 0 0 14 -4,-1.3 3,-0.9 -3,-0.4 5,-0.3 0.907 111.7 48.3 -70.9 -41.6 -4.7 58.7 15.9 79 81 A L H 3<5S+ 0 0 21 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.755 105.0 60.4 -68.1 -25.4 -4.1 61.0 12.9 80 82 A A H 3<5S- 0 0 84 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.683 121.0-110.9 -72.0 -18.3 -4.8 64.0 15.3 81 83 A G T X<5S+ 0 0 25 -3,-0.9 3,-0.6 -4,-0.5 -3,-0.2 0.650 78.3 130.7 97.9 22.3 -1.7 62.7 17.3 82 84 A E T 3 + 0 0 8 -5,-0.3 3,-1.7 -6,-0.3 -1,-0.2 -0.131 64.5 131.8-133.3 39.7 -2.1 58.1 20.7 84 86 A E T < S+ 0 0 107 -3,-0.6 3,-0.5 1,-0.3 -1,-0.1 0.645 72.7 62.1 -71.3 -12.3 1.6 58.5 19.9 85 87 A D T 3 S+ 0 0 126 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.571 88.7 74.3 -80.1 -12.8 2.5 56.5 23.0 86 88 A N S < S+ 0 0 9 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.1 0.168 76.2 72.9-100.6 20.8 0.7 53.4 21.8 87 89 A F + 0 0 14 -3,-0.5 -49,-0.3 1,-0.1 -1,-0.2 -0.570 50.1 151.4-129.2 71.7 3.1 52.1 19.1 88 90 A P + 0 0 24 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.503 27.7 120.6 -83.3 -6.1 6.0 50.7 21.0 89 91 A L - 0 0 2 1,-0.1 -51,-1.2 10,-0.1 4,-0.1 -0.327 57.7-126.9 -71.9 140.1 7.3 47.9 18.7 90 92 A V B -B 37 0B 16 -59,-0.4 -53,-0.3 -53,-0.2 -1,-0.1 -0.347 18.2-116.3 -77.5 158.5 10.8 48.0 17.3 91 93 A V S S+ 0 0 0 -55,-3.0 2,-2.2 1,-0.2 271,-0.1 0.825 103.4 78.4 -56.6 -36.2 11.8 47.9 13.6 92 94 A W S S+ 0 0 0 -59,-0.4 -1,-0.2 -56,-0.3 -2,-0.2 -0.468 73.8 105.1 -85.6 73.7 13.6 44.6 14.3 93 95 A Q S S- 0 0 1 -2,-2.2 693,-0.2 1,-0.4 -2,-0.1 -0.296 81.0 -25.1-123.6-155.7 10.5 42.4 14.3 94 96 A T > - 0 0 2 -2,-0.1 3,-1.2 1,-0.1 -1,-0.4 -0.352 63.8-121.3 -58.7 147.8 9.0 40.0 11.8 95 97 A G T 3 S+ 0 0 0 1,-0.3 265,-2.4 263,-0.2 264,-0.2 0.550 108.1 55.7 -77.4 -9.7 10.1 40.8 8.2 96 98 A S T 3 S- 0 0 3 262,-0.2 -1,-0.3 263,-0.1 46,-0.2 0.506 107.5-119.7 -93.6 -11.3 6.6 41.3 6.9 97 99 A G X> + 0 0 0 -3,-1.2 4,-2.5 -6,-0.1 3,-0.5 0.599 65.2 143.8 76.4 13.0 5.6 43.9 9.5 98 100 A T H 3> + 0 0 34 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.868 67.5 51.8 -50.5 -44.5 2.8 41.7 10.8 99 101 A Q H 3> S+ 0 0 14 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.859 111.2 46.3 -67.7 -35.1 3.3 42.8 14.4 100 102 A T H <> S+ 0 0 2 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.871 111.2 52.8 -73.3 -38.7 3.1 46.5 13.6 101 103 A N H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.937 112.5 45.4 -53.9 -47.1 0.1 45.8 11.4 102 104 A M H X S+ 0 0 10 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.815 105.8 60.2 -72.9 -30.8 -1.5 44.1 14.4 103 105 A N H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.941 109.9 43.0 -57.0 -47.9 -0.4 46.9 16.7 104 106 A M H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.916 113.3 52.2 -63.3 -44.7 -2.5 49.3 14.5 105 107 A N H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.902 112.9 43.7 -59.3 -44.9 -5.4 46.8 14.3 106 108 A E H X S+ 0 0 16 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.911 112.7 50.5 -69.1 -43.9 -5.6 46.3 18.1 107 109 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 5,-0.2 0.903 111.6 47.8 -64.7 -42.4 -5.2 50.0 19.0 108 110 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.956 114.7 46.0 -61.1 -51.4 -8.0 51.1 16.6 109 111 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.2 17,-0.3 0.891 113.1 51.4 -55.5 -42.2 -10.3 48.4 17.9 110 112 A S H X S+ 0 0 2 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.889 110.0 46.6 -66.8 -43.5 -9.4 49.3 21.5 111 113 A I H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.906 114.8 48.9 -63.6 -42.5 -10.2 53.0 21.0 112 114 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.909 109.5 51.0 -64.3 -44.2 -13.5 52.1 19.3 113 115 A N H X>S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 5,-0.7 0.882 108.3 52.1 -64.2 -39.1 -14.5 49.7 22.1 114 116 A E H X5S+ 0 0 52 -4,-2.0 4,-1.6 3,-0.2 -1,-0.2 0.918 111.8 47.5 -58.7 -45.3 -13.8 52.3 24.8 115 117 A E H <5S+ 0 0 80 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.888 119.6 38.6 -62.6 -42.5 -16.1 54.8 22.8 116 118 A L H <5S+ 0 0 52 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.856 135.9 14.5 -78.6 -37.6 -18.8 52.2 22.4 117 119 A T H <5S- 0 0 86 -4,-3.1 -3,-0.2 2,-0.2 -2,-0.2 0.681 94.7-115.3-113.7 -26.0 -18.7 50.4 25.8 118 120 A G S <> - 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0 0 50 -2,-0.3 4,-1.4 -3,-0.1 5,-0.1 -0.134 37.7-102.0 -75.1 177.7 46.7 98.8 -18.3 445 447 A E H > S+ 0 0 53 2,-0.2 4,-0.9 1,-0.2 -1,-0.1 0.753 123.7 44.2 -73.3 -25.6 45.3 97.4 -15.0 446 448 A E H > S+ 0 0 77 2,-0.2 4,-1.2 1,-0.1 -1,-0.2 0.845 112.7 49.3 -85.1 -41.1 41.7 98.1 -16.2 447 449 A E H > S+ 0 0 115 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.793 108.6 56.2 -65.7 -30.9 42.1 96.7 -19.8 448 450 A F H X S+ 0 0 0 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.918 105.8 49.4 -66.8 -45.7 43.7 93.5 -18.2 449 451 A D H X S+ 0 0 57 -4,-0.9 4,-0.7 1,-0.2 -1,-0.2 0.783 108.0 54.8 -65.6 -29.3 40.6 92.8 -16.1 450 452 A K H >< S+ 0 0 68 -4,-1.2 3,-0.5 2,-0.2 -1,-0.2 0.897 107.2 48.2 -72.4 -42.3 38.3 93.2 -19.1 451 453 A I H 3< S+ 0 0 32 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.850 106.9 58.7 -63.1 -35.4 40.1 90.6 -21.3 452 454 A V H 3< S+ 0 0 3 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.732 79.6 108.5 -69.3 -23.7 40.0 88.2 -18.3 453 455 A V S << S- 0 0 67 -4,-0.7 -275,-0.0 -3,-0.5 -3,-0.0 -0.316 76.0-128.2 -57.4 133.3 36.2 88.3 -18.1 454 456 A P 0 0 48 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.829 360.0 360.0 -54.6 -41.3 34.7 84.9 -19.3 455 457 A E 0 0 138 0, 0.0 -3,-0.0 0, 0.0 -4,-0.0 -0.409 360.0 360.0 62.7 360.0 32.2 86.5 -21.8 456 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 457 3 B N 0 0 153 0, 0.0 15,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -1.6 11.4 79.8 34.3 458 4 B Y E -G 471 0G 132 13,-0.3 2,-0.3 14,-0.1 13,-0.2 -0.922 360.0-158.3-121.5 147.7 14.6 80.8 32.4 459 5 B R E -G 470 0G 45 11,-2.9 11,-2.4 -2,-0.3 2,-0.5 -0.922 20.8-129.5-113.8 147.2 18.3 81.3 33.4 460 6 B I E +G 469 0G 93 -2,-0.3 2,-0.2 9,-0.2 9,-0.2 -0.852 29.8 171.6-101.2 130.5 20.8 83.3 31.3 461 7 B E E -G 468 0G 18 7,-2.3 7,-2.3 -2,-0.5 2,-0.3 -0.767 10.3-159.3-124.3 172.8 24.2 81.9 30.4 462 8 B S E +G 467 0G 37 -2,-0.2 16,-0.3 5,-0.2 2,-0.2 -0.993 19.8 174.3-154.8 160.8 26.9 83.2 28.0 463 9 B D E > -G 466 0G 23 3,-1.4 3,-1.8 -2,-0.3 -150,-0.0 -0.777 64.8 -65.5-144.7-169.4 29.9 82.6 25.9 464 10 B S T 3 S+ 0 0 102 1,-0.3 3,-0.1 -2,-0.2 -151,-0.0 0.581 130.5 59.1 -64.5 -9.4 32.0 84.8 23.5 465 11 B F T 3 S- 0 0 78 1,-0.3 2,-0.3 -153,-0.0 -1,-0.3 0.572 114.6-107.3 -92.5 -14.0 28.9 85.1 21.2 466 12 B G E < -G 463 0G 22 -3,-1.8 -3,-1.4 2,-0.0 -1,-0.3 -0.838 54.5 -16.7 128.1-158.5 26.7 86.7 23.9 467 13 B E E +G 462 0G 136 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.573 51.8 179.9 -91.5 149.0 23.7 85.9 26.1 468 14 B I E -G 461 0G 20 -7,-2.3 -7,-2.3 -2,-0.2 2,-0.4 -0.995 25.1-116.3-151.1 147.9 21.4 82.9 25.7 469 15 B Q E -G 460 0G 117 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.712 26.2-177.5 -93.7 134.3 18.3 81.5 27.5 470 16 B I E -G 459 0G 0 -11,-2.4 -11,-2.9 -2,-0.4 2,-0.2 -0.990 36.9-105.1-128.5 135.6 18.2 78.1 29.1 471 17 B E E > -G 458 0G 86 -2,-0.4 3,-2.3 -13,-0.2 -13,-0.3 -0.428 34.9-125.3 -61.6 128.6 15.2 76.5 30.8 472 18 B E T 3 S+ 0 0 103 -15,-2.6 -1,-0.1 1,-0.3 -14,-0.1 0.746 103.2 59.3 -52.0 -37.7 15.8 76.7 34.5 473 19 B K T 3 S+ 0 0 128 -16,-0.3 2,-0.3 2,-0.0 -1,-0.3 0.588 91.5 84.5 -72.8 -10.4 15.4 73.0 35.3 474 20 B F < - 0 0 37 -3,-2.3 68,-0.1 1,-0.1 -4,-0.0 -0.763 65.1-152.4 -99.1 143.8 18.3 72.0 32.9 475 21 B Y + 0 0 31 -2,-0.3 102,-0.2 102,-0.1 91,-0.2 0.634 59.7 104.1 -89.0 -16.7 21.9 72.0 34.0 476 22 B W - 0 0 9 1,-0.1 2,-0.1 90,-0.1 83,-0.1 -0.050 58.6-136.1 -68.8 170.9 23.7 72.6 30.6 477 23 B G > - 0 0 4 81,-0.2 4,-2.1 100,-0.1 5,-0.2 -0.182 35.7 -61.1-116.6-157.1 25.1 75.9 29.6 478 24 B A H > S+ 0 0 4 -16,-0.3 4,-1.8 1,-0.2 -15,-0.1 0.833 124.0 46.8 -64.7 -40.1 25.5 78.4 26.7 479 25 B Q H > S+ 0 0 26 2,-0.2 4,-2.3 -17,-0.2 -1,-0.2 0.863 111.7 50.3 -77.6 -34.9 27.2 76.3 24.2 480 26 B T H > S+ 0 0 0 2,-0.2 4,-2.9 78,-0.2 -2,-0.2 0.950 113.7 45.6 -62.9 -51.0 25.0 73.2 24.6 481 27 B Q H X S+ 0 0 23 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.870 111.4 53.4 -59.3 -38.8 21.8 75.4 24.2 482 28 B R H X S+ 0 0 35 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.927 112.5 43.6 -62.8 -45.4 23.5 77.1 21.2 483 29 B S H X S+ 0 0 3 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.888 110.4 56.1 -63.0 -42.9 24.1 73.7 19.6 484 30 B L H < S+ 0 0 45 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.879 112.6 42.0 -58.8 -40.9 20.6 72.6 20.6 485 31 B N H < S+ 0 0 69 -4,-2.2 3,-0.2 -5,-0.2 -1,-0.2 0.829 117.0 46.4 -71.4 -35.3 19.0 75.6 18.7 486 32 B N H < S+ 0 0 24 -4,-1.7 2,-0.3 1,-0.2 -2,-0.2 0.581 107.8 52.2 -93.5 -11.0 21.3 75.5 15.6 487 33 B F < + 0 0 4 -4,-1.5 2,-1.3 -5,-0.1 59,-0.3 -0.701 54.6 162.1-129.5 75.8 21.2 71.7 14.7 488 34 B K + 0 0 134 -2,-0.3 2,-0.6 -3,-0.2 -108,-0.1 -0.573 24.6 144.7 -95.5 69.0 17.6 70.6 14.5 489 35 B I - 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0 0 63 -83,-2.9 4,-2.3 -2,-0.2 5,-0.2 -0.824 30.0-176.4 -94.7 90.1 12.6 16.3 12.8 846 395 B I H > S+ 0 0 90 -2,-1.0 4,-2.6 1,-0.2 5,-0.2 0.864 76.1 51.2 -64.1 -42.1 14.3 12.9 12.8 847 396 B A H > S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 112.5 48.1 -63.0 -39.4 11.7 11.0 10.7 848 397 B R H > S+ 0 0 85 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.907 111.7 49.5 -65.0 -43.3 11.8 13.7 8.1 849 398 B I H X S+ 0 0 0 -4,-2.3 4,-2.2 -87,-0.2 -2,-0.2 0.902 112.1 48.7 -62.1 -43.7 15.6 13.6 8.0 850 399 B N H X S+ 0 0 55 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.893 110.5 50.1 -64.3 -43.5 15.6 9.8 7.7 851 400 B T H < S+ 0 0 77 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.898 111.6 48.7 -60.4 -43.9 13.1 9.9 4.8 852 401 B L H >< S+ 0 0 36 -4,-2.1 3,-1.4 1,-0.2 4,-0.3 0.934 111.5 48.8 -64.4 -47.1 15.1 12.5 2.9 853 402 B R H >< S+ 0 0 65 -4,-2.2 3,-2.3 1,-0.3 -2,-0.2 0.949 106.8 55.7 -55.5 -52.4 18.4 10.6 3.3 854 403 B D T 3< S+ 0 0 122 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.394 104.0 56.4 -67.7 2.9 16.9 7.3 2.1 855 404 B K T < S+ 0 0 106 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.2 0.436 80.9 120.9-104.8 -4.8 15.7 9.0 -1.1 856 405 B S < 0 0 47 -3,-2.3 -3,-0.0 -4,-0.3 -209,-0.0 -0.395 360.0 360.0 -75.2 134.3 19.2 10.2 -2.2 857 406 B L 0 0 207 -2,-0.2 -1,-0.1 -211,-0.0 -211,-0.0 0.944 360.0 360.0 -82.9 360.0 20.7 9.1 -5.5