==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 29-NOV-10 3PRH . COMPND 2 MOLECULE: TRYPTOPHANYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR A.K.ANTONCZAK,Z.SIMOVA,I.YONEMOTO,M.BOCHTLER,A.PIASECKA,H.CZ . 625 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29036.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 455 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.6 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 . 2 0.3 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 . 37 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 278 44.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 4 2 4 2 0 4 2 0 0 0 2 0 0 4 0 0 0 0 0 0 0 0 1 0 2 1 0 RESIDUES PER ALPHA HELIX . 2 2 0 1 1 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 . 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 2 A K 0 0 218 0, 0.0 2,-0.2 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 -55.2 -30.4 -34.3 23.8 2 3 A Q - 0 0 76 30,-0.4 32,-2.1 128,-0.0 2,-0.4 -0.545 360.0-143.6 -82.4 145.7 -29.0 -31.0 25.1 3 4 A T E -a 34 0A 21 125,-0.3 127,-2.3 30,-0.2 128,-2.0 -0.934 9.1-159.0-114.1 137.0 -26.7 -28.9 22.9 4 5 A I E -ab 35 131A 0 30,-1.9 32,-3.2 -2,-0.4 2,-0.6 -0.905 3.6-154.6-110.9 140.1 -23.7 -26.9 24.2 5 6 A F E -a 36 0A 6 126,-1.9 2,-0.6 -2,-0.4 32,-0.2 -0.951 10.2-173.4-118.5 115.8 -22.1 -24.0 22.4 6 7 A S E -a 37 0A 4 30,-3.3 32,-2.4 -2,-0.6 2,-0.7 -0.927 8.4-159.4-111.5 114.8 -18.5 -23.4 23.2 7 8 A G E -a 38 0A 46 -2,-0.6 2,-0.5 30,-0.2 32,-0.2 -0.853 14.8-167.3 -97.6 114.2 -17.0 -20.2 21.8 8 9 A I E -a 39 0A 19 30,-2.6 32,-1.2 -2,-0.7 33,-0.1 -0.892 13.5-134.7-120.5 121.7 -13.3 -20.5 21.6 9 10 A Q - 0 0 81 -2,-0.5 2,-1.3 30,-0.2 3,-0.1 -0.471 11.9-134.3 -77.0 131.6 -10.8 -17.6 21.0 10 11 A P + 0 0 0 0, 0.0 48,-0.2 0, 0.0 47,-0.2 -0.690 45.9 151.8 -82.7 89.5 -7.9 -18.1 18.6 11 12 A S - 0 0 89 -2,-1.3 43,-0.1 46,-0.2 47,-0.1 0.316 58.7-108.2-112.2 2.3 -5.2 -16.6 20.8 12 13 A G S S+ 0 0 27 45,-0.1 2,-0.3 -3,-0.1 46,-0.0 0.187 87.2 39.7 98.9 -18.8 -2.1 -18.3 19.6 13 14 A S - 0 0 34 184,-0.0 2,-0.5 2,-0.0 173,-0.2 -0.854 59.5-148.6-167.9 138.5 -1.2 -20.7 22.4 14 15 A V - 0 0 15 -2,-0.3 183,-1.4 171,-0.1 184,-0.3 -0.888 15.1-148.4-114.1 123.7 -2.9 -23.0 24.9 15 16 A T B > -E 196 0B 3 -2,-0.5 4,-1.6 181,-0.2 3,-0.4 -0.287 30.0-107.6 -83.3 170.9 -1.7 -23.7 28.3 16 17 A L H > S+ 0 0 0 179,-2.1 4,-2.3 1,-0.2 5,-0.3 0.867 118.6 63.5 -62.7 -38.7 -2.1 -26.9 30.3 17 18 A G H > S+ 0 0 11 178,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.825 104.3 48.0 -54.7 -35.1 -4.6 -25.1 32.6 18 19 A N H >>S+ 0 0 58 -3,-0.4 5,-1.5 2,-0.2 4,-1.2 0.911 107.8 51.4 -73.9 -46.4 -6.8 -24.7 29.5 19 20 A Y H <>S+ 0 0 30 -4,-1.6 5,-3.7 1,-0.2 6,-0.5 0.974 120.9 35.8 -55.5 -51.1 -6.6 -28.3 28.3 20 21 A I H <5S+ 0 0 1 -4,-2.3 152,-0.3 3,-0.2 5,-0.2 0.846 123.6 45.1 -72.7 -38.2 -7.6 -29.6 31.8 21 22 A G H <5S- 0 0 20 -4,-2.1 4,-0.3 -5,-0.3 -3,-0.2 0.990 134.4 -8.4 -63.8 -79.5 -10.0 -26.7 32.5 22 23 A A T X5S+ 0 0 49 -4,-1.2 4,-2.8 -5,-0.2 5,-0.3 0.954 126.9 51.0 -91.1 -59.6 -12.1 -26.2 29.4 23 24 A M H > S+ 0 0 23 -6,-0.5 4,-0.7 -4,-0.3 3,-0.4 0.924 117.2 39.9 -63.4 -44.2 -13.9 -31.4 30.0 26 27 A F H < S+ 0 0 8 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.663 110.3 56.4 -86.6 -17.1 -16.0 -30.1 27.2 27 28 A V H < S+ 0 0 7 -4,-2.0 -1,-0.2 -5,-0.3 3,-0.2 0.579 104.2 58.1 -81.2 -14.9 -14.7 -32.3 24.5 28 29 A E H >< S+ 0 0 122 -4,-0.8 3,-0.7 -3,-0.4 4,-0.3 0.765 95.5 60.0 -81.0 -31.5 -15.6 -35.2 26.8 29 30 A L T 3X S+ 0 0 11 -4,-0.7 4,-0.6 1,-0.2 -1,-0.2 0.425 78.8 105.9 -75.0 -1.3 -19.3 -34.1 26.8 30 31 A Q T >4 S+ 0 0 11 1,-0.2 3,-0.6 -3,-0.2 5,-0.3 0.875 79.8 38.1 -40.3 -54.9 -19.0 -34.7 23.1 31 32 A H T <4 S+ 0 0 123 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.805 117.6 47.8 -79.4 -29.2 -21.1 -38.0 23.1 32 33 A D T 34 S+ 0 0 122 -4,-0.3 -30,-0.4 -3,-0.1 2,-0.3 0.346 119.0 36.7 -91.0 6.4 -23.7 -37.0 25.7 33 34 A Y S << S- 0 0 33 -4,-0.6 2,-0.8 -3,-0.6 -30,-0.2 -0.991 80.7-116.7-152.8 147.0 -24.4 -33.6 24.0 34 35 A N E -a 3 0A 91 -32,-2.1 -30,-1.9 -2,-0.3 2,-0.4 -0.835 52.0-170.6 -84.3 112.7 -24.6 -32.1 20.6 35 36 A S E -ac 4 75A 3 -2,-0.8 41,-1.9 39,-0.6 2,-0.4 -0.922 19.1-157.5-122.9 132.6 -21.7 -29.8 21.1 36 37 A Y E -ac 5 76A 28 -32,-3.2 -30,-3.3 -2,-0.4 2,-0.5 -0.908 3.3-168.1-108.2 136.9 -20.5 -26.9 19.0 37 38 A F E -ac 6 77A 0 39,-3.0 41,-1.9 -2,-0.4 2,-0.5 -0.962 14.2-171.7-122.1 109.0 -17.0 -25.5 19.1 38 39 A C E -ac 7 78A 0 -32,-2.4 -30,-2.6 -2,-0.5 2,-0.9 -0.901 21.5-140.3-109.6 120.2 -16.8 -22.2 17.3 39 40 A I E -ac 8 79A 0 39,-3.3 41,-2.6 -2,-0.5 2,-1.8 -0.702 20.9-150.1 -80.2 105.1 -13.5 -20.5 16.6 40 41 A V >> + 0 0 7 -32,-1.2 4,-1.6 -2,-0.9 3,-1.4 -0.382 37.1 153.3 -85.3 63.5 -14.6 -16.9 17.2 41 42 A D H 3> S+ 0 0 0 -2,-1.8 4,-1.4 1,-0.3 -1,-0.2 0.751 72.4 59.8 -60.2 -29.1 -12.2 -15.0 14.8 42 43 A Q H 34 S+ 0 0 7 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.679 105.8 47.8 -77.6 -16.2 -14.7 -12.1 14.4 43 44 A H H X4 S+ 0 0 13 -3,-1.4 3,-1.7 2,-0.1 -2,-0.2 0.802 104.8 62.5 -81.9 -34.6 -14.5 -11.6 18.2 44 45 A A H >< S+ 0 0 0 -4,-1.6 3,-1.7 1,-0.3 -2,-0.2 0.875 93.0 62.1 -54.0 -43.1 -10.7 -11.7 17.8 45 46 A I T 3< S+ 0 0 10 -4,-1.4 -1,-0.3 1,-0.3 67,-0.1 0.422 80.0 84.0 -71.9 6.1 -10.7 -8.6 15.6 46 47 A T T < S+ 0 0 11 -3,-1.7 -1,-0.3 66,-0.1 64,-0.2 0.625 98.1 41.3 -75.4 -14.1 -12.1 -6.5 18.5 47 48 A V S < S- 0 0 65 -3,-1.7 366,-0.0 -4,-0.2 65,-0.0 -0.829 112.3 -73.8-125.4 163.2 -8.5 -6.1 19.7 48 49 A P + 0 0 118 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.184 57.1 171.3 -60.9 153.8 -5.4 -5.5 17.6 49 50 A Q - 0 0 64 -4,-0.1 2,-0.5 -3,-0.0 3,-0.0 -0.988 37.6-122.5-155.8 157.1 -4.0 -8.4 15.5 50 51 A D > - 0 0 75 -2,-0.3 4,-2.5 1,-0.1 5,-0.3 -0.946 25.6-139.2-100.3 127.8 -1.5 -9.3 12.9 51 52 A R H > S+ 0 0 118 -2,-0.5 4,-1.6 1,-0.2 5,-0.1 0.772 101.4 54.0 -59.7 -25.7 -3.4 -10.9 10.0 52 53 A L H > S+ 0 0 91 2,-0.2 4,-1.7 3,-0.1 -1,-0.2 0.938 111.2 40.4 -72.5 -49.8 -0.6 -13.5 9.7 53 54 A E H > S+ 0 0 97 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.894 114.7 54.3 -71.9 -37.2 -0.6 -14.8 13.3 54 55 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.954 108.8 47.1 -55.7 -55.6 -4.5 -14.7 13.5 55 56 A R H X S+ 0 0 65 -4,-1.6 4,-1.6 -5,-0.3 -1,-0.2 0.930 115.6 48.7 -49.5 -43.0 -4.7 -16.9 10.4 56 57 A K H X S+ 0 0 133 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.931 110.1 48.5 -66.7 -50.3 -2.1 -19.1 12.0 57 58 A N H X S+ 0 0 13 -4,-3.5 4,-3.0 2,-0.2 5,-0.3 0.841 104.3 61.2 -58.6 -39.5 -3.8 -19.3 15.4 58 59 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.969 111.8 37.7 -52.7 -56.7 -7.1 -20.2 13.8 59 60 A R H X S+ 0 0 57 -4,-1.6 4,-3.4 1,-0.2 5,-0.2 0.940 113.8 57.7 -56.6 -50.0 -5.6 -23.4 12.3 60 61 A N H X S+ 0 0 22 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.896 109.5 44.0 -48.8 -50.0 -3.5 -24.0 15.4 61 62 A L H X S+ 0 0 10 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.921 112.7 50.9 -65.9 -47.8 -6.7 -24.1 17.5 62 63 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.944 113.3 47.1 -50.5 -50.1 -8.6 -26.2 15.1 63 64 A A H X S+ 0 0 0 -4,-3.4 4,-2.8 1,-0.2 -2,-0.2 0.872 110.0 52.4 -64.6 -40.6 -5.7 -28.6 15.0 64 65 A L H X S+ 0 0 3 -4,-2.5 4,-0.9 -5,-0.2 -1,-0.2 0.892 107.5 50.6 -62.5 -44.5 -5.3 -28.7 18.8 65 66 A Y H ><>S+ 0 0 11 -4,-2.3 5,-1.9 2,-0.2 3,-0.8 0.934 114.2 43.9 -64.7 -46.2 -9.0 -29.5 19.5 66 67 A L H ><5S+ 0 0 17 -4,-1.9 3,-2.3 1,-0.2 -1,-0.2 0.964 110.9 56.3 -56.8 -47.4 -8.9 -32.4 17.0 67 68 A A H 3<5S+ 0 0 11 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.691 104.2 55.1 -59.1 -17.8 -5.5 -33.4 18.5 68 69 A V T <<5S- 0 0 22 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.457 131.9 -83.5-101.1 -3.9 -7.2 -33.6 21.9 69 70 A G T < 5S+ 0 0 47 -3,-2.3 2,-0.3 -4,-0.4 -3,-0.2 0.509 70.3 155.6 115.8 8.6 -10.0 -36.1 20.9 70 71 A L < - 0 0 6 -5,-1.9 -1,-0.3 -4,-0.1 -42,-0.1 -0.503 36.2-141.0 -66.4 129.3 -12.7 -33.9 19.3 71 72 A D >> - 0 0 41 -2,-0.3 4,-2.9 -44,-0.2 3,-2.7 -0.813 8.8-158.8-102.6 107.8 -14.7 -36.1 17.0 72 73 A P T 34 S+ 0 0 33 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.680 94.5 58.1 -59.8 -14.7 -15.7 -34.2 13.8 73 74 A E T 34 S+ 0 0 154 1,-0.1 3,-0.1 3,-0.1 -3,-0.0 0.527 118.6 27.7 -89.0 -11.1 -18.5 -36.8 13.4 74 75 A K T <4 S+ 0 0 87 -3,-2.7 -39,-0.6 1,-0.2 2,-0.3 0.588 122.3 45.1-122.1 -23.6 -20.1 -36.0 16.8 75 76 A A E < S-c 35 0A 0 -4,-2.9 2,-0.7 -41,-0.1 -1,-0.2 -0.894 76.0-126.6-121.4 153.6 -19.1 -32.4 17.4 76 77 A T E -c 36 0A 13 -41,-1.9 -39,-3.0 -2,-0.3 2,-0.5 -0.909 25.8-176.4-103.9 115.6 -19.2 -29.4 15.0 77 78 A L E +c 37 0A 4 -2,-0.7 2,-0.3 213,-0.3 217,-0.3 -0.963 22.9 141.9-110.0 124.2 -15.9 -27.6 14.8 78 79 A F E -c 38 0A 0 -41,-1.9 -39,-3.3 -2,-0.5 2,-0.4 -0.979 50.4-100.3-158.2 168.2 -16.0 -24.5 12.7 79 80 A I E > -c 39 0A 0 212,-0.3 3,-1.2 -2,-0.3 -39,-0.2 -0.844 26.4-139.2-100.2 132.4 -14.9 -20.9 12.1 80 81 A Q G > S+ 0 0 0 -41,-2.6 3,-1.9 -2,-0.4 6,-0.3 0.924 101.1 52.0 -55.7 -54.3 -17.3 -18.1 13.0 81 82 A S G 3 S+ 0 0 6 -42,-0.3 -1,-0.3 1,-0.3 547,-0.1 0.670 99.1 67.7 -55.2 -22.4 -16.6 -15.8 10.0 82 83 A E G < S+ 0 0 52 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.215 95.0 59.8 -89.5 15.3 -17.3 -18.9 7.7 83 84 A V S X S- 0 0 0 -3,-1.9 3,-1.6 1,-0.1 4,-0.4 -0.832 72.2-164.3-139.9 93.2 -20.9 -18.9 8.7 84 85 A P T >> S+ 0 0 31 0, 0.0 4,-1.9 0, 0.0 3,-0.9 0.740 76.4 79.6 -54.1 -28.8 -22.4 -15.5 7.7 85 86 A A H 3>>S+ 0 0 0 1,-0.3 4,-3.2 2,-0.2 5,-0.5 0.818 84.0 64.7 -53.0 -33.2 -25.6 -15.9 9.8 86 87 A H H <>5S+ 0 0 0 -3,-1.6 4,-2.7 -6,-0.3 -1,-0.3 0.961 106.3 41.1 -54.5 -50.7 -23.5 -14.8 12.9 87 88 A A H <>5S+ 0 0 7 -3,-0.9 4,-2.1 -4,-0.4 -1,-0.2 0.901 118.3 48.6 -61.6 -40.6 -22.9 -11.3 11.4 88 89 A Q H X5S+ 0 0 12 -4,-1.9 4,-2.1 2,-0.2 3,-0.2 0.978 116.4 38.9 -68.0 -57.3 -26.5 -11.1 10.2 89 90 A A H X5S+ 0 0 0 -4,-3.2 4,-3.2 1,-0.2 5,-0.2 0.888 113.1 58.7 -58.6 -43.4 -28.2 -12.2 13.4 90 91 A G H XX S+ 0 0 17 -4,-2.1 4,-1.3 -3,-0.2 3,-0.8 0.955 110.4 50.7 -63.7 -47.2 -26.8 -7.1 13.5 92 93 A M H >< S+ 0 0 1 -4,-2.1 3,-0.7 1,-0.3 4,-0.3 0.922 107.9 52.9 -53.2 -45.2 -30.4 -7.9 14.3 93 94 A M H >X S+ 0 0 1 -4,-3.2 4,-2.4 1,-0.2 3,-0.9 0.767 101.1 60.7 -64.3 -24.0 -29.4 -8.4 18.0 94 95 A Q H << S+ 0 0 7 -4,-1.4 333,-1.4 -3,-0.8 332,-0.8 0.838 100.0 56.5 -69.1 -30.9 -27.8 -4.9 17.9 95 96 A C T << S+ 0 0 9 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.516 112.5 41.4 -79.6 -3.5 -31.3 -3.6 17.1 96 97 A V T <4 S+ 0 0 9 -3,-0.9 -2,-0.2 -4,-0.3 -1,-0.2 0.709 99.9 81.7-103.4 -36.7 -32.6 -5.2 20.3 97 98 A A S < S- 0 0 0 -4,-2.4 329,-3.3 328,-0.1 330,-0.3 -0.469 71.8-137.3 -73.4 138.8 -29.8 -4.3 22.7 98 99 A Y > - 0 0 127 327,-0.3 4,-1.0 -2,-0.2 5,-0.1 -0.583 19.1-119.3 -88.2 158.9 -29.7 -0.9 24.4 99 100 A I H > S+ 0 0 48 -2,-0.2 4,-3.0 2,-0.2 5,-0.1 0.807 105.5 61.4 -67.2 -33.3 -26.4 1.1 24.7 100 101 A G H > S+ 0 0 31 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.981 100.9 47.9 -59.1 -65.3 -26.5 1.2 28.5 101 102 A E H 4 S+ 0 0 39 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.840 118.1 45.5 -46.2 -37.1 -26.4 -2.6 29.3 102 103 A L H >X S+ 0 0 2 -4,-1.0 4,-0.6 1,-0.2 3,-0.5 0.896 108.1 56.1 -71.1 -42.1 -23.5 -2.7 26.8 103 104 A E H 3< S+ 0 0 108 -4,-3.0 2,-0.3 1,-0.2 -2,-0.2 0.657 95.8 71.9 -62.1 -15.3 -21.9 0.5 28.4 104 105 A R T 3< S+ 0 0 199 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.1 -0.226 95.2 47.1 -96.2 43.1 -21.9 -1.4 31.8 105 106 A M T <4 0 0 56 -3,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.528 360.0 360.0-146.4 -43.2 -19.1 -3.9 31.0 106 107 A T < 0 0 119 -4,-0.6 -1,-0.3 8,-0.1 8,-0.0 -0.673 360.0 360.0-104.7 360.0 -15.9 -2.4 29.5 107 ! 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 0.0 108 118 A A 0 0 108 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 122.1 -11.8 6.6 21.9 109 119 A V - 0 0 85 1,-0.1 308,-2.9 2,-0.0 309,-0.2 -0.692 360.0 -84.8-102.5 154.8 -12.0 2.8 21.7 110 120 A V B >> -F 416 0C 25 -2,-0.3 3,-1.1 306,-0.3 4,-0.5 -0.265 36.8-130.8 -59.2 139.7 -12.9 0.6 18.8 111 121 A S H >> S+ 0 0 1 304,-2.9 4,-2.0 301,-0.5 3,-1.0 0.822 100.0 59.6 -68.1 -35.1 -16.7 0.1 18.4 112 122 A G H 34 S+ 0 0 0 300,-1.8 4,-0.4 303,-0.4 -1,-0.3 0.579 96.3 64.9 -74.9 -9.9 -16.8 -3.7 18.1 113 123 A L H <4 S+ 0 0 48 -3,-1.1 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3,-0.2 0.937 112.9 53.1 -64.3 -46.9 -40.8 27.8 -16.6 557 255 B E H > S+ 0 0 116 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.805 104.2 55.2 -62.1 -34.1 -40.4 30.8 -18.8 558 256 B E H > S+ 0 0 112 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.931 108.0 51.1 -61.4 -42.5 -42.1 29.0 -21.7 559 257 B L H X S+ 0 0 4 -4,-1.6 4,-1.7 -3,-0.2 -2,-0.2 0.862 105.6 54.3 -63.2 -38.4 -45.0 28.4 -19.4 560 258 B E H >< S+ 0 0 55 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.967 110.0 47.6 -57.8 -53.0 -45.2 32.1 -18.5 561 259 B A H >< S+ 0 0 67 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.834 111.5 52.6 -49.6 -38.5 -45.5 32.8 -22.2 562 260 B K H 3< S+ 0 0 115 -4,-1.8 3,-0.2 1,-0.2 -1,-0.2 0.768 112.0 42.5 -76.7 -26.7 -48.2 30.1 -22.4 563 261 B Y T X< S+ 0 0 3 -4,-1.7 3,-1.3 -3,-0.6 -32,-0.5 -0.046 76.6 124.8-110.9 32.0 -50.4 31.5 -19.6 564 262 B E T < S+ 0 0 156 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.851 81.2 32.6 -58.4 -43.1 -50.0 35.1 -20.7 565 263 B G T 3 S+ 0 0 71 -3,-0.2 2,-0.3 -4,-0.2 -1,-0.3 -0.151 111.2 87.8-109.0 40.0 -53.7 35.8 -20.9 566 264 B K < - 0 0 83 -3,-1.3 -35,-0.6 -35,-0.1 2,-0.2 -0.919 58.6-135.7-145.8 160.3 -54.9 33.5 -18.2 567 265 B G >> - 0 0 30 -2,-0.3 4,-1.6 -37,-0.1 3,-1.6 -0.716 41.9 -91.0-117.6 167.5 -55.6 32.9 -14.5 568 266 B Y H 3> S+ 0 0 24 1,-0.3 4,-4.0 -2,-0.2 5,-0.3 0.642 114.4 67.1 -49.1 -27.2 -54.9 30.3 -12.0 569 267 B G H 3> S+ 0 0 64 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.868 108.0 36.2 -70.0 -39.6 -58.1 28.4 -12.6 570 268 B E H <> S+ 0 0 101 -3,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.865 120.7 50.5 -76.3 -40.5 -57.2 27.3 -16.1 571 269 B F H X S+ 0 0 1 -4,-1.6 4,-3.4 2,-0.2 5,-0.3 0.975 112.1 44.5 -59.2 -59.8 -53.6 26.9 -15.1 572 270 B K H X S+ 0 0 28 -4,-4.0 4,-2.2 1,-0.2 -1,-0.2 0.891 115.1 51.0 -55.1 -41.3 -54.4 24.7 -12.0 573 271 B G H X S+ 0 0 31 -4,-1.4 4,-1.3 -5,-0.3 -1,-0.2 0.883 113.3 43.5 -65.2 -41.7 -56.8 22.7 -14.2 574 272 B D H X S+ 0 0 61 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.897 112.8 52.3 -66.6 -45.8 -54.2 22.1 -16.9 575 273 B L H X S+ 0 0 0 -4,-3.4 4,-2.5 1,-0.2 -2,-0.2 0.862 103.7 59.0 -56.9 -40.5 -51.5 21.3 -14.3 576 274 B A H X S+ 0 0 1 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.955 109.7 42.5 -51.3 -52.3 -53.9 18.8 -12.8 577 275 B E H X S+ 0 0 101 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.850 109.6 55.3 -71.5 -37.5 -54.1 16.9 -16.1 578 276 B V H X S+ 0 0 32 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.971 112.7 45.4 -51.6 -52.9 -50.4 17.1 -16.8 579 277 B V H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.868 110.4 51.7 -61.7 -43.6 -49.8 15.5 -13.4 580 278 B V H X S+ 0 0 16 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.923 114.3 45.7 -57.1 -43.0 -52.5 12.9 -14.0 581 279 B N H < S+ 0 0 97 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.802 110.7 50.8 -74.9 -31.0 -50.8 12.0 -17.3 582 280 B A H < S+ 0 0 26 -4,-2.5 4,-0.5 -5,-0.2 -1,-0.2 0.839 117.9 40.3 -69.9 -32.7 -47.3 12.0 -15.9 583 281 B L H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.590 96.4 79.4 -93.0 -14.3 -48.4 9.6 -13.1 584 282 B K H X S+ 0 0 105 -4,-1.3 4,-3.4 2,-0.2 5,-0.3 0.960 96.4 42.7 -60.7 -53.6 -50.7 7.3 -15.1 585 283 B P H > S+ 0 0 74 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.928 115.0 52.3 -61.4 -38.1 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105.7 87.1 -80.9 -40.4 -49.0 -8.3 -7.6 596 294 B S S < S- 0 0 37 -4,-1.7 4,-0.2 -5,-0.3 -3,-0.0 0.096 72.2-136.5 -56.0 168.0 -46.8 -10.1 -10.2 597 295 B E S >> S+ 0 0 129 2,-0.1 4,-2.0 1,-0.1 3,-0.6 0.537 96.1 84.8 -97.5 -13.4 -44.0 -12.5 -9.4 598 296 B E H 3> S+ 0 0 95 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.877 85.6 59.2 -45.8 -39.2 -42.0 -10.8 -12.1 599 297 B L H 3> S+ 0 0 0 -6,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.877 103.6 49.3 -60.4 -40.1 -41.1 -8.3 -9.2 600 298 B D H <> S+ 0 0 43 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.900 109.6 52.0 -65.4 -40.1 -39.6 -11.2 -7.2 601 299 B R H X S+ 0 0 130 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.924 108.0 51.0 -62.9 -45.2 -37.5 -12.3 -10.2 602 300 B I H X S+ 0 0 14 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.952 113.2 45.7 -55.5 -48.3 -36.2 -8.9 -10.7 603 301 B L H X S+ 0 0 1 -4,-1.9 4,-2.1 1,-0.2 -206,-0.3 0.827 111.0 52.5 -67.9 -33.0 -35.2 -8.7 -7.0 604 302 B D H X S+ 0 0 75 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.941 110.5 48.3 -62.0 -46.5 -33.7 -12.2 -7.1 605 303 B E H X S+ 0 0 72 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.867 110.8 51.6 -63.0 -39.6 -31.6 -11.2 -10.1 606 304 B G H X S+ 0 0 2 -4,-2.2 4,-2.5 -211,-0.2 -1,-0.2 0.899 109.0 49.2 -64.8 -42.4 -30.5 -8.0 -8.3 607 305 B A H X S+ 0 0 8 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.837 109.6 52.4 -66.0 -37.2 -29.4 -9.9 -5.2 608 306 B E H X S+ 0 0 146 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.946 111.2 47.1 -62.8 -48.2 -27.4 -12.4 -7.2 609 307 B R H X S+ 0 0 70 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.954 114.6 45.8 -58.0 -52.4 -25.6 -9.5 -9.0 610 308 B A H X S+ 0 0 0 -4,-2.5 4,-3.6 2,-0.2 5,-0.2 0.862 113.3 49.2 -63.4 -37.5 -24.9 -7.7 -5.7 611 309 B N H X S+ 0 0 32 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.970 107.8 53.8 -65.4 -51.4 -23.7 -10.9 -3.9 612 310 B R H X S+ 0 0 161 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.899 120.2 34.2 -46.5 -46.2 -21.4 -11.9 -6.8 613 311 B T H X S+ 0 0 47 -4,-2.0 4,-1.6 -5,-0.2 3,-0.5 0.928 117.8 50.3 -78.3 -49.7 -19.7 -8.4 -6.5 614 312 B A H X S+ 0 0 0 -4,-3.6 4,-1.8 1,-0.2 -2,-0.2 0.788 106.3 57.9 -59.0 -30.2 -20.0 -7.8 -2.8 615 313 B N H X S+ 0 0 66 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.839 103.1 52.3 -71.4 -34.4 -18.4 -11.3 -2.1 616 314 B K H X S+ 0 0 140 -4,-0.7 4,-1.4 -3,-0.5 -2,-0.2 0.935 112.4 44.5 -64.0 -48.9 -15.3 -10.4 -4.0 617 315 B M H X S+ 0 0 21 -4,-1.6 4,-2.1 -176,-0.3 -2,-0.2 0.865 112.2 55.1 -65.2 -33.8 -14.7 -7.2 -2.1 618 316 B L H X S+ 0 0 7 -4,-1.8 4,-3.3 2,-0.2 -2,-0.2 0.966 103.6 52.2 -61.3 -53.9 -15.6 -9.1 1.1 619 317 B K H X S+ 0 0 143 -4,-2.4 4,-3.1 1,-0.3 -1,-0.2 0.810 109.5 51.5 -54.0 -35.5 -12.9 -11.8 0.6 620 318 B K H X S+ 0 0 108 -4,-1.4 4,-3.5 2,-0.2 -1,-0.3 0.951 110.1 47.7 -65.6 -51.3 -10.4 -9.1 0.2 621 319 B M H X S+ 0 0 3 -4,-2.1 4,-1.9 2,-0.2 5,-0.3 0.949 114.0 48.1 -52.1 -51.8 -11.4 -7.4 3.4 622 320 B E H X>S+ 0 0 33 -4,-3.3 4,-4.2 1,-0.2 5,-1.3 0.949 114.2 45.5 -56.7 -52.0 -11.3 -10.8 5.1 623 321 B N H <5S+ 0 0 79 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.870 110.3 55.4 -57.5 -38.7 -7.8 -11.5 3.7 624 322 B A H <5S+ 0 0 1 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.861 120.9 29.7 -63.3 -32.8 -6.7 -8.0 4.5 625 323 B M H <5S- 0 0 8 -4,-1.9 -2,-0.2 -3,-0.4 -1,-0.2 0.773 111.2-117.8 -98.1 -32.1 -7.6 -8.6 8.2 626 324 B G T <5 + 0 0 0 -4,-4.2 -3,-0.2 -5,-0.3 -4,-0.1 0.815 54.8 150.9 99.4 44.5 -7.0 -12.4 8.3 627 325 B L < - 0 0 2 -5,-1.3 -546,-0.3 -6,-0.1 -586,-0.2 0.569 64.6 -11.5 -87.6 -12.9 -10.5 -14.0 9.2 628 326 B G 0 0 7 -6,-0.2 -569,-0.1 -547,-0.1 -570,-0.1 0.116 360.0 360.0-144.6 -97.3 -10.4 -17.5 7.6 629 327 B R 0 0 90 -571,-0.1 -341,-0.0 -570,-0.0 -6,-0.0 0.216 360.0 360.0-166.7 360.0 -8.2 -19.4 5.1