==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 20-NOV-10 3PNY . COMPND 2 MOLECULE: GLUTAMYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR G.S.KACHALOVA,D.LAURINAVICHIUTE,H.D.BARTUNIK . 966 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45026.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 637 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 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 . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 52 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 351 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.5 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 2 1 1 5 4 2 2 5 3 4 7 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 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 0 PARALLEL BRIDGES PER LADDER . 9 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 5 6 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 5 A E 0 0 200 0, 0.0 33,-0.1 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 137.3 23.8 -17.9 26.1 2 6 A T + 0 0 72 1,-0.1 32,-0.1 32,-0.1 33,-0.1 -0.015 360.0 172.5 -96.6 103.3 22.3 -18.8 24.0 3 7 A V - 0 0 10 30,-0.3 33,-2.6 27,-0.1 2,-0.4 -0.349 11.7-164.9 -56.8 140.8 19.1 -17.2 25.5 4 8 A R E +a 36 0A 16 31,-0.2 202,-2.5 -3,-0.1 203,-1.6 -0.946 10.9 174.5-133.4 117.7 16.1 -17.3 23.2 5 9 A V E -a 37 0A 0 31,-2.4 33,-2.7 -2,-0.4 2,-0.4 -0.671 14.5-144.0-116.6 174.7 13.0 -15.1 23.9 6 10 A R E -a 38 0A 8 201,-0.3 2,-0.6 -2,-0.2 203,-0.3 -0.995 15.4-161.3-148.8 128.2 9.8 -14.5 22.0 7 11 A F E +a 39 0A 7 31,-2.8 33,-1.8 -2,-0.4 203,-0.1 -0.982 24.3 175.0-106.3 119.5 7.4 -11.6 21.4 8 12 A C + 0 0 24 -2,-0.6 33,-0.1 31,-0.2 31,-0.1 -0.530 3.8 174.7-134.0 63.7 4.2 -13.4 20.2 9 13 A P - 0 0 6 0, 0.0 33,-3.0 0, 0.0 -2,-0.0 -0.242 30.7-127.2 -67.4 146.8 1.5 -10.9 19.7 10 14 A S - 0 0 72 31,-0.2 2,-2.7 2,-0.1 33,-0.2 -0.922 32.7-114.3 -86.5 129.8 -2.0 -11.8 18.3 11 15 A P S S+ 0 0 1 0, 0.0 2,-0.4 0, 0.0 36,-0.3 -0.408 72.7 124.8 -67.3 73.8 -2.7 -9.4 15.4 12 16 A T - 0 0 81 -2,-2.7 -2,-0.1 41,-0.2 38,-0.1 -0.982 63.9 -27.6-133.7 127.2 -5.7 -7.6 17.0 13 17 A G S S- 0 0 24 -2,-0.4 -1,-0.1 36,-0.1 43,-0.1 0.081 94.4 -37.8 76.2 176.0 -6.0 -3.9 17.5 14 18 A T S S- 0 0 59 242,-0.2 2,-0.4 1,-0.1 39,-0.1 -0.476 70.4 -97.2 -65.4 144.4 -3.4 -1.2 17.9 15 19 A P - 0 0 3 0, 0.0 248,-1.7 0, 0.0 249,-0.4 -0.549 43.1-151.2 -55.0 119.9 -0.3 -2.0 19.9 16 20 A H B > -C 262 0B 40 -2,-0.4 4,-2.1 246,-0.2 246,-0.2 -0.597 25.3-107.2 -94.3 165.6 -0.8 -0.7 23.5 17 21 A V H > S+ 0 0 0 244,-2.5 4,-2.4 1,-0.2 5,-0.1 0.818 117.6 55.8 -68.8 -33.6 2.0 0.4 25.7 18 22 A G H > S+ 0 0 15 243,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.935 109.9 46.0 -59.1 -49.2 1.8 -2.6 28.0 19 23 A L H > S+ 0 0 68 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.894 113.4 50.1 -57.5 -41.7 2.2 -4.9 25.0 20 24 A V H X S+ 0 0 6 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.820 105.0 56.7 -72.3 -31.8 5.1 -2.7 23.7 21 25 A R H X S+ 0 0 5 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.942 106.6 51.5 -60.9 -45.2 6.8 -2.8 27.2 22 26 A T H X S+ 0 0 18 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.927 108.2 50.4 -60.8 -44.1 6.8 -6.6 26.9 23 27 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.935 113.2 46.5 -56.0 -45.6 8.4 -6.4 23.4 24 28 A L H X S+ 0 0 0 -4,-2.1 4,-3.3 2,-0.2 5,-0.3 0.895 109.3 54.1 -65.1 -42.2 11.1 -4.1 24.8 25 29 A F H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.918 112.9 42.9 -60.0 -46.1 11.7 -6.2 27.9 26 30 A N H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.906 114.5 51.4 -62.7 -43.8 12.3 -9.3 25.7 27 31 A W H X S+ 0 0 21 -4,-2.4 4,-2.9 -5,-0.2 5,-0.3 0.954 111.7 45.6 -61.1 -48.5 14.4 -7.4 23.2 28 32 A A H X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.893 111.2 52.4 -64.8 -42.6 16.7 -5.9 25.9 29 33 A Y H X S+ 0 0 21 -4,-2.0 4,-1.8 -5,-0.3 6,-0.3 0.924 112.4 46.4 -61.8 -43.3 17.1 -9.3 27.6 30 34 A A H >X>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 4,-1.1 0.982 114.2 46.1 -58.9 -54.7 18.2 -10.9 24.4 31 35 A R H 3<5S+ 0 0 59 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.789 113.0 52.1 -59.9 -28.8 20.5 -8.1 23.4 32 36 A H H 3<5S+ 0 0 70 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.845 115.7 38.4 -75.6 -35.3 22.0 -8.2 26.9 33 37 A T H <<5S- 0 0 32 -4,-1.8 -30,-0.3 -3,-0.5 -2,-0.2 0.459 111.1-115.5 -93.8 -2.9 22.6 -11.9 27.0 34 38 A G T <5S+ 0 0 57 -4,-1.1 -3,-0.2 -5,-0.1 -4,-0.1 0.687 75.4 133.7 70.6 20.0 23.8 -12.0 23.4 35 39 A G < - 0 0 6 -5,-2.4 2,-0.4 -6,-0.3 -31,-0.2 0.059 57.2 -81.9 -92.1-159.8 20.8 -14.2 22.7 36 40 A T E -a 4 0A 24 -33,-2.6 -31,-2.4 -3,-0.1 2,-0.7 -0.886 21.2-148.6-120.0 134.9 18.0 -14.3 20.1 37 41 A F E -a 5 0A 0 -2,-0.4 32,-1.9 -33,-0.2 33,-1.4 -0.882 19.1-160.6-103.9 110.3 14.8 -12.3 19.8 38 42 A V E -ab 6 70A 0 -33,-2.7 -31,-2.8 -2,-0.7 2,-0.7 -0.757 6.2-156.7 -97.8 131.9 12.1 -14.3 18.1 39 43 A F E +a 7 0A 0 31,-3.0 2,-0.4 -2,-0.4 -31,-0.2 -0.852 18.0 179.1-111.6 98.4 9.0 -12.6 16.5 40 44 A R - 0 0 0 -33,-1.8 2,-0.6 -2,-0.7 42,-0.2 -0.840 20.9-141.8-107.3 133.1 6.1 -15.0 16.3 41 45 A I B -d 82 0C 0 40,-3.0 42,-2.4 -2,-0.4 2,-1.3 -0.818 4.9-157.0 -96.8 120.1 2.7 -14.1 14.9 42 46 A E + 0 0 24 -33,-3.0 3,-0.3 -2,-0.6 40,-0.1 -0.593 40.0 141.2 -97.6 77.4 -0.3 -15.6 16.8 43 47 A D + 0 0 17 -2,-1.3 3,-0.2 1,-0.2 -1,-0.1 -0.182 21.6 114.5-123.8 40.1 -2.8 -15.4 14.0 44 48 A T S S+ 0 0 71 1,-0.2 2,-0.5 2,-0.0 -1,-0.2 0.460 79.2 57.6 -76.1 -5.4 -4.9 -18.7 14.2 45 49 A D S S- 0 0 103 -3,-0.3 2,-0.2 2,-0.0 -1,-0.2 -0.776 81.7-165.8-124.5 86.0 -7.9 -16.5 15.1 46 50 A A + 0 0 75 -2,-0.5 2,-0.3 -3,-0.2 -34,-0.1 -0.550 9.0 179.5 -80.2 139.8 -8.4 -14.0 12.2 47 51 A Q > - 0 0 105 -36,-0.3 3,-2.2 -2,-0.2 4,-0.3 -0.860 47.3 -92.9-121.7 170.7 -10.6 -11.0 12.6 48 52 A R T 3 S+ 0 0 237 1,-0.3 3,-0.4 -2,-0.3 4,-0.3 0.820 124.3 48.6 -43.4 -39.4 -11.4 -8.2 10.1 49 53 A D T 3> S+ 0 0 40 1,-0.2 4,-2.6 2,-0.1 -1,-0.3 0.277 78.5 106.2 -89.4 11.6 -8.6 -6.1 11.5 50 54 A S H <> S+ 0 0 14 -3,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.882 80.6 42.7 -77.5 -39.7 -5.9 -8.6 11.4 51 55 A E H > S+ 0 0 112 -3,-0.4 4,-2.7 -4,-0.3 5,-0.2 0.950 116.3 50.3 -63.0 -49.4 -3.8 -7.4 8.5 52 56 A E H > S+ 0 0 135 -4,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.903 113.8 45.9 -49.9 -44.3 -4.1 -3.8 9.7 53 57 A S H X S+ 0 0 3 -4,-2.6 4,-1.9 -42,-0.2 -2,-0.2 0.887 109.4 54.4 -73.5 -40.5 -3.0 -4.9 13.1 54 58 A Y H X S+ 0 0 30 -4,-2.6 4,-2.1 -43,-0.3 3,-0.4 0.953 109.9 46.7 -51.1 -55.1 -0.1 -7.0 11.8 55 59 A L H X S+ 0 0 93 -4,-2.7 4,-2.4 1,-0.3 -2,-0.2 0.873 110.0 54.5 -60.7 -37.9 1.2 -4.0 9.9 56 60 A A H X S+ 0 0 22 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.3 0.856 107.2 51.5 -61.5 -36.9 0.8 -1.8 13.0 57 61 A L H X S+ 0 0 7 -4,-1.9 4,-2.0 -3,-0.4 -2,-0.2 0.917 111.9 43.6 -70.9 -44.8 2.8 -4.3 15.0 58 62 A L H X S+ 0 0 10 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.896 113.4 53.2 -66.6 -38.9 5.8 -4.3 12.6 59 63 A D H X S+ 0 0 59 -4,-2.4 4,-0.8 -5,-0.2 -2,-0.2 0.908 107.9 51.3 -58.9 -43.7 5.6 -0.6 12.3 60 64 A A H >X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 3,-0.8 0.941 112.5 43.9 -61.0 -50.4 5.7 -0.2 16.0 61 65 A L H 3X>S+ 0 0 5 -4,-2.0 5,-1.8 1,-0.2 4,-0.8 0.934 114.1 52.5 -58.7 -48.4 8.8 -2.4 16.4 62 66 A R H 3<5S+ 0 0 145 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.512 110.2 47.5 -60.5 -18.5 10.4 -0.6 13.4 63 67 A W H <<5S+ 0 0 62 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.808 112.9 45.9 -91.6 -39.9 9.8 2.9 14.9 64 68 A L H <5S- 0 0 5 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.1 0.510 113.1-117.0 -85.7 -7.8 11.2 2.1 18.3 65 69 A G T <5 + 0 0 48 -4,-0.8 2,-1.3 -5,-0.2 -3,-0.2 0.624 65.0 143.1 84.9 18.0 14.3 0.3 16.8 66 70 A L < - 0 0 2 -5,-1.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.614 30.8-170.0 -92.9 79.5 13.6 -3.1 18.1 67 71 A D - 0 0 83 -2,-1.3 2,-0.3 -3,-0.1 -30,-0.0 -0.159 13.9-131.5 -64.7 157.0 14.7 -5.4 15.3 68 72 A W - 0 0 19 4,-0.1 -30,-0.2 1,-0.1 3,-0.1 -0.912 9.1-155.7-114.1 148.2 14.0 -9.1 15.4 69 73 A D S S+ 0 0 60 -32,-1.9 2,-0.3 -2,-0.3 -31,-0.2 0.725 85.1 22.5 -88.0 -30.7 16.5 -11.9 14.7 70 74 A E B S+b 38 0A 15 -33,-1.4 -31,-3.0 6,-0.1 -1,-0.2 -0.991 96.1 56.6-137.4 144.1 13.8 -14.5 13.7 71 75 A G B > S+E 75 0D 3 4,-1.7 4,-2.5 -2,-0.3 -31,-0.1 -0.999 79.0 25.8 137.5-143.6 10.3 -14.0 12.3 72 76 A P T 4 S- 0 0 13 0, 0.0 2,-3.4 0, 0.0 -4,-0.1 -0.207 122.6 -13.8 -74.3 148.4 8.6 -12.2 9.5 73 77 A E T 4 S+ 0 0 138 1,-0.2 -2,-0.0 -3,-0.0 0, 0.0 -0.092 132.9 64.7 58.2 -42.6 10.4 -11.5 6.2 74 78 A V T 4 S- 0 0 83 -2,-3.4 -1,-0.2 1,-0.2 2,-0.0 0.758 85.0-173.7 -87.2 -26.0 13.7 -12.3 7.9 75 79 A G B < -E 71 0D 26 -4,-2.5 -4,-1.7 3,-0.0 -1,-0.2 -0.330 3.7-163.2 71.5-151.2 12.8 -15.9 8.5 76 80 A G > - 0 0 46 -6,-0.2 3,-0.9 1,-0.1 -6,-0.1 -0.820 37.6 -72.4 146.6 178.0 15.0 -18.3 10.6 77 81 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 0.720 120.2 52.7 -80.8 -18.7 15.7 -22.0 11.3 78 82 A Y T 3 S- 0 0 86 125,-0.1 -3,-0.0 -3,-0.1 -8,-0.0 -0.043 98.3-177.8-107.7 34.3 12.5 -22.7 13.3 79 83 A G < + 0 0 34 -3,-0.9 2,-0.2 2,-0.1 -3,-0.0 -0.302 47.0 71.3 -74.7 162.5 10.0 -21.4 10.8 80 84 A P - 0 0 49 0, 0.0 -40,-0.0 0, 0.0 6,-0.0 0.445 50.7-171.6 -87.2 173.6 7.4 -20.8 9.9 81 85 A Y + 0 0 12 -2,-0.2 -40,-3.0 -10,-0.1 2,-0.5 0.286 64.5 79.6-121.7 4.8 6.8 -17.8 12.2 82 86 A R B > S-d 41 0C 55 -42,-0.2 3,-1.4 -11,-0.1 -40,-0.2 -0.973 70.4-149.1-100.9 132.8 3.2 -17.3 11.5 83 87 A Q G > S+ 0 0 3 -42,-2.4 3,-1.6 -2,-0.5 -41,-0.1 0.760 96.8 67.9 -73.4 -25.4 1.0 -19.8 13.4 84 88 A S G 3 S+ 0 0 66 -43,-0.3 -1,-0.3 1,-0.2 3,-0.3 0.625 100.7 52.0 -60.7 -19.0 -1.6 -19.7 10.6 85 89 A Q G < S+ 0 0 129 -3,-1.4 3,-0.2 1,-0.1 -1,-0.2 0.413 97.7 70.5 -96.3 7.2 1.2 -21.5 8.5 86 90 A R <> + 0 0 5 -3,-1.6 4,-2.3 1,-0.2 5,-0.1 0.094 52.9 115.9-123.3 24.0 1.8 -24.3 11.2 87 91 A A H > S+ 0 0 61 1,-0.3 4,-3.3 -3,-0.3 5,-0.2 0.876 77.1 53.7 -71.2 -41.0 -1.2 -26.5 11.1 88 92 A E H > S+ 0 0 177 -3,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.916 109.8 50.5 -50.3 -46.4 0.6 -29.6 9.9 89 93 A I H > S+ 0 0 48 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.964 112.2 45.7 -60.3 -53.9 3.0 -29.1 12.8 90 94 A Y H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.927 112.2 51.5 -60.7 -44.4 0.1 -28.8 15.4 91 95 A R H X S+ 0 0 200 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.907 112.7 45.7 -60.0 -38.5 -1.7 -31.8 13.9 92 96 A D H X S+ 0 0 84 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.946 111.7 50.1 -75.7 -37.0 1.4 -34.0 14.2 93 97 A V H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.926 112.7 48.3 -61.1 -43.3 2.3 -32.8 17.7 94 98 A L H X S+ 0 0 13 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.924 110.7 50.9 -60.8 -47.5 -1.4 -33.7 18.7 95 99 A A H X S+ 0 0 53 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.915 112.1 47.8 -55.9 -41.4 -1.1 -37.1 17.0 96 100 A R H X S+ 0 0 100 -4,-2.6 4,-1.7 2,-0.2 6,-0.3 0.908 110.5 49.8 -69.7 -46.9 2.1 -37.8 18.9 97 101 A L H <>S+ 0 0 0 -4,-2.6 5,-1.9 2,-0.2 6,-1.4 0.914 114.2 46.0 -52.6 -45.6 0.7 -36.7 22.2 98 102 A L H ><5S+ 0 0 48 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.954 111.3 51.4 -64.9 -49.3 -2.4 -39.0 21.7 99 103 A A H 3<5S+ 0 0 92 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.812 110.8 49.5 -57.9 -31.2 -0.3 -41.9 20.5 100 104 A A T 3<5S- 0 0 58 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.507 113.3-116.9 -90.3 -5.6 1.9 -41.6 23.6 101 105 A G T < 5S+ 0 0 45 -3,-1.6 -3,-0.2 -4,-0.5 -2,-0.1 0.557 84.8 118.9 79.4 8.6 -1.1 -41.5 26.0 102 106 A E S > - 0 0 43 1,-0.1 4,-2.1 0, 0.0 3,-0.5 -0.737 26.1-111.3 -87.9 157.2 -20.9 -32.5 27.6 110 114 A P H 3> S+ 0 0 99 0, 0.0 4,-3.1 0, 0.0 5,-0.1 0.880 120.7 54.6 -51.7 -40.5 -21.0 -29.6 30.3 111 115 A E H 3> S+ 0 0 121 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.861 105.9 51.2 -62.1 -36.8 -24.3 -31.1 31.5 112 116 A E H <> S+ 0 0 56 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.870 111.4 46.5 -72.8 -38.0 -22.7 -34.5 32.0 113 117 A V H X S+ 0 0 15 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.932 111.5 53.3 -63.7 -48.6 -19.9 -33.0 34.0 114 118 A E H X S+ 0 0 109 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.934 108.5 49.8 -45.1 -53.0 -22.5 -31.0 36.0 115 119 A A H X S+ 0 0 58 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.867 108.0 51.8 -63.9 -39.5 -24.4 -34.1 36.8 116 120 A R H X S+ 0 0 49 -4,-1.7 4,-1.5 2,-0.2 6,-0.2 0.907 109.6 50.2 -65.0 -43.4 -21.4 -36.1 38.0 117 121 A H H <>S+ 0 0 5 -4,-2.3 5,-2.0 2,-0.2 4,-0.4 0.928 111.4 48.8 -53.2 -48.0 -20.5 -33.2 40.4 118 122 A V H ><5S+ 0 0 95 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.939 109.6 51.3 -64.2 -43.6 -24.1 -33.2 41.6 119 123 A A H 3<5S+ 0 0 93 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.795 111.4 50.4 -65.4 -26.4 -24.0 -37.0 42.2 120 124 A A T 3<5S- 0 0 51 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.471 113.4-117.1 -82.2 -9.5 -20.8 -36.5 44.1 121 125 A G T < 5S+ 0 0 72 -3,-1.9 -3,-0.2 -4,-0.4 2,-0.2 0.515 74.4 131.0 73.6 7.1 -22.2 -33.8 46.4 122 126 A R < - 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0 0 106 -5,-0.3 2,-0.5 -6,-0.2 -9,-0.0 -0.345 30.2-136.5 -58.5 134.3 5.1 22.9 7.0 351 355 A I - 0 0 2 2,-0.1 2,-2.0 -10,-0.1 7,-0.1 -0.860 14.5-129.7 -95.5 129.0 6.9 25.9 8.2 352 356 A A + 0 0 61 -2,-0.5 2,-0.4 28,-0.1 32,-0.1 -0.235 69.4 111.7 -83.9 51.2 7.7 28.5 5.5 353 357 A L - 0 0 20 -2,-2.0 -2,-0.1 30,-0.0 114,-0.0 -0.952 67.9-117.8-110.2 145.5 11.3 28.9 6.2 354 358 A D > - 0 0 113 -2,-0.4 4,-2.7 1,-0.1 3,-0.4 -0.206 45.4 -82.5 -71.0 171.9 14.1 27.7 3.8 355 359 A E H > S+ 0 0 127 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.849 126.7 43.6 -50.9 -43.9 16.6 25.1 4.9 356 360 A A H > S+ 0 0 75 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.883 116.4 43.2 -73.0 -41.1 18.9 27.5 6.7 357 361 A A H > S+ 0 0 20 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.848 113.3 53.4 -75.6 -30.8 16.3 29.7 8.6 358 362 A F H X S+ 0 0 11 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.892 106.6 52.1 -68.7 -42.3 14.3 26.6 9.6 359 363 A A H X S+ 0 0 27 -4,-1.9 4,-2.1 -5,-0.4 -2,-0.2 0.946 110.3 49.4 -57.7 -47.1 17.5 25.1 11.0 360 364 A A H X S+ 0 0 39 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.937 112.3 46.8 -54.6 -45.9 17.9 28.3 13.0 361 365 A A H X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 3,-0.3 0.840 108.3 57.0 -67.3 -36.0 14.3 28.2 14.3 362 366 A A H >X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 3,-0.9 0.935 105.6 49.5 -58.9 -50.3 14.6 24.4 15.2 363 367 A E H 3< S+ 0 0 102 -4,-2.1 4,-0.3 1,-0.3 -1,-0.2 0.702 107.4 58.0 -65.1 -19.2 17.6 25.1 17.5 364 368 A L H 3< S+ 0 0 23 -4,-0.8 -1,-0.3 -3,-0.3 3,-0.2 0.839 114.3 34.0 -73.5 -34.7 15.4 27.8 19.0 365 369 A V H X< S+ 0 0 0 -4,-1.1 3,-2.2 -3,-0.9 4,-0.2 0.523 90.1 92.1-105.9 -9.9 12.6 25.5 20.0 366 370 A Q T 3< S+ 0 0 13 -4,-1.4 3,-0.4 1,-0.3 -1,-0.2 0.833 96.5 39.6 -56.0 -34.7 14.5 22.3 20.9 367 371 A T T 3 S+ 0 0 46 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.297 112.2 61.7 -94.2 8.7 14.7 23.4 24.5 368 372 A R S < S+ 0 0 66 -3,-2.2 2,-0.3 -43,-0.0 -1,-0.2 0.148 92.0 63.6-133.1 12.8 11.2 24.7 24.5 369 373 A I - 0 0 7 -3,-0.4 3,-0.1 -4,-0.2 -41,-0.1 -0.886 51.1-157.3-129.4 166.4 8.9 21.8 23.8 370 374 A V S S+ 0 0 51 1,-0.3 2,-0.3 -2,-0.3 -42,-0.1 0.646 88.3 22.9-103.9 -32.0 8.0 18.5 25.3 371 375 A V S > S- 0 0 1 -100,-0.1 3,-2.2 -102,-0.1 4,-0.4 -0.937 83.2-112.6-135.4 152.2 6.8 16.8 22.1 372 376 A L T > S+ 0 0 9 -102,-2.2 3,-1.6 1,-0.3 -102,-0.2 0.853 115.1 63.5 -58.4 -27.3 7.7 17.5 18.4 373 377 A G T >> S+ 0 0 31 -104,-1.7 3,-1.3 1,-0.3 4,-0.5 0.676 84.4 72.6 -68.8 -23.1 4.1 18.6 18.0 374 378 A D H <> S+ 0 0 60 -3,-2.2 4,-1.4 1,-0.2 -1,-0.3 0.693 83.2 73.9 -62.5 -21.3 4.4 21.5 20.4 375 379 A A H <> S+ 0 0 0 -3,-1.6 4,-1.9 -4,-0.4 -1,-0.2 0.703 82.8 66.3 -72.0 -18.9 6.6 23.3 17.7 376 380 A W H <> S+ 0 0 29 -3,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.967 103.6 42.8 -70.7 -49.2 3.6 24.1 15.5 377 381 A E H < S+ 0 0 140 -4,-0.5 4,-0.2 1,-0.2 -1,-0.2 0.880 119.1 46.3 -55.4 -43.6 2.0 26.5 17.9 378 382 A L H < S+ 0 0 33 -4,-1.4 3,-0.2 1,-0.2 -1,-0.2 0.856 124.4 30.3 -61.3 -37.0 5.4 28.0 18.7 379 383 A L H >< S+ 0 0 1 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.564 88.2 91.6-110.4 -16.5 6.5 28.3 15.1 380 384 A K G >< + 0 0 32 -4,-1.9 3,-1.5 1,-0.3 6,-0.3 0.567 68.0 79.7 -79.4 -10.3 3.5 28.9 12.9 381 385 A F G 3 S+ 0 0 8 1,-0.2 -1,-0.3 -4,-0.2 6,-0.1 0.555 80.3 75.2 -64.7 -7.1 3.6 32.7 13.0 382 386 A F G < S+ 0 0 0 -3,-1.7 2,-0.5 4,-0.1 -1,-0.2 0.676 83.8 72.6 -85.3 -19.0 6.4 32.2 10.4 383 387 A N S X> S- 0 0 9 -3,-1.5 3,-1.5 1,-0.1 4,-0.6 -0.860 77.3-144.4 -90.1 129.3 3.8 31.4 7.8 384 388 A D G >4 S+ 0 0 102 -2,-0.5 3,-1.1 1,-0.2 -1,-0.1 0.885 100.1 59.8 -52.4 -41.6 1.8 34.4 6.5 385 389 A D G 34 S+ 0 0 133 1,-0.3 -1,-0.2 -3,-0.1 -4,-0.1 0.472 108.4 43.8 -77.3 -2.4 -1.2 32.2 6.2 386 390 A Q G <4 S+ 0 0 70 -3,-1.5 2,-0.3 -6,-0.3 -1,-0.3 0.379 80.8 120.3-112.6 -1.8 -1.2 31.3 9.9 387 391 A Y << + 0 0 61 -3,-1.1 2,-0.3 -4,-0.6 66,-0.1 -0.520 30.9 159.8 -69.6 126.9 -0.6 34.7 11.4 388 392 A V - 0 0 101 64,-0.3 2,-0.6 -2,-0.3 -3,-0.0 -0.966 37.5-129.9-147.1 127.8 -3.3 35.7 13.7 389 393 A I - 0 0 55 -2,-0.3 65,-0.1 1,-0.0 64,-0.1 -0.715 26.7-126.6 -81.9 124.2 -3.1 38.3 16.4 390 394 A D > - 0 0 66 63,-3.1 4,-2.7 -2,-0.6 5,-0.2 -0.633 12.1-137.5 -67.3 125.6 -4.4 37.0 19.7 391 395 A P T 4 S+ 0 0 96 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.818 101.7 50.9 -52.1 -44.9 -7.1 39.3 21.1 392 396 A K T >> S+ 0 0 146 2,-0.2 3,-3.2 1,-0.2 4,-2.5 0.989 113.5 44.6 -55.4 -65.0 -5.8 39.1 24.7 393 397 A A H 3> S+ 0 0 0 1,-0.3 4,-3.6 2,-0.2 -1,-0.2 0.854 111.9 54.0 -44.5 -43.5 -2.3 40.0 23.6 394 398 A A H 3< S+ 0 0 26 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.479 110.8 47.7 -75.1 -1.5 -3.9 42.7 21.4 395 399 A A H <4 S+ 0 0 73 -3,-3.2 4,-0.2 -5,-0.2 -2,-0.2 0.733 119.8 35.6-108.2 -38.6 -5.6 44.0 24.5 396 400 A K H < S+ 0 0 131 -4,-2.5 3,-0.3 -5,-0.1 -2,-0.2 0.959 134.4 24.5 -58.6 -59.1 -2.5 44.0 26.7 397 401 A E S < S+ 0 0 35 -4,-3.6 -3,-0.2 -5,-0.2 53,-0.1 0.253 120.0 51.2-109.3 6.3 -0.0 44.9 24.1 398 402 A L S S+ 0 0 28 -5,-0.2 -1,-0.2 51,-0.1 -3,-0.1 0.443 83.3 102.3-125.9 -8.6 -1.9 46.8 21.4 399 403 A G S > S- 0 0 26 -3,-0.3 4,-2.0 -4,-0.2 5,-0.1 0.357 93.6 -56.6 -71.1-161.7 -3.9 49.5 23.3 400 404 A P H >> S+ 0 0 125 0, 0.0 4,-1.2 0, 0.0 3,-0.8 0.915 141.6 39.2 -35.1 -62.3 -3.3 53.2 23.8 401 405 A D H 3> S+ 0 0 101 1,-0.3 4,-3.0 2,-0.3 5,-0.2 0.792 105.9 66.7 -73.5 -30.8 0.2 52.8 25.2 402 406 A G H 3> S+ 0 0 7 2,-0.2 4,-4.6 1,-0.2 -1,-0.3 0.916 99.3 53.6 -43.3 -46.6 0.6 50.1 22.7 403 407 A A H < S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.754 94.3 77.0 -90.1 -29.4 13.5 49.6 14.0 414 418 A T H 3< S+ 0 0 74 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.1 0.848 93.0 53.0 -44.4 -44.6 13.2 51.2 10.5 415 419 A S T 3< S+ 0 0 97 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.1 0.561 70.7 121.6 -90.8 -13.1 16.8 52.4 10.3 416 420 A V < - 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0 0 39 1,-0.2 3,-3.3 -2,-0.1 4,-1.6 -0.031 45.9-112.6 -60.9 149.2 10.3 47.7 32.0 440 444 A P H 3> S+ 0 0 3 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.696 117.2 66.5 -48.5 -21.3 12.4 45.9 29.5 441 445 A R H 34 S+ 0 0 165 351,-0.3 4,-0.2 2,-0.2 -2,-0.1 0.448 102.9 42.3 -86.5 -0.1 9.4 43.6 29.1 442 446 A K H <4 S+ 0 0 93 -3,-3.3 -1,-0.2 2,-0.1 5,-0.2 0.543 104.6 64.5-115.2 -23.2 7.3 46.3 27.6 443 447 A A H < S+ 0 0 0 -4,-1.6 4,-0.2 -5,-0.1 -2,-0.2 0.934 121.3 23.1 -44.6 -52.1 10.2 47.5 25.4 444 448 A F S X S+ 0 0 10 -4,-1.2 4,-2.0 -5,-0.2 3,-0.4 0.752 107.2 79.0 -98.7 -27.2 9.9 44.2 23.8 445 449 A S H >> S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 3,-0.8 0.926 92.3 45.1 -46.8 -67.7 6.4 43.0 24.4 446 450 A P H 3> S+ 0 0 6 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.763 111.0 57.8 -66.1 -21.1 4.3 44.9 21.9 447 451 A I H 3> S+ 0 0 0 -3,-0.4 4,-2.1 -4,-0.2 5,-0.3 0.950 105.4 50.6 -57.6 -50.3 6.9 44.0 19.4 448 452 A R H S+ 0 0 49 -4,-2.0 4,-3.2 -3,-0.8 5,-0.7 0.937 112.5 44.0 -61.2 -50.8 6.3 40.3 20.2 449 453 A V H X5S+ 0 0 0 -4,-1.8 4,-1.3 1,-0.2 -1,-0.3 0.859 115.4 48.9 -58.7 -39.6 2.6 40.5 19.8 450 454 A A H <5S+ 0 0 0 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.788 120.4 37.6 -70.3 -28.4 2.8 42.6 16.6 451 455 A A H <5S+ 0 0 2 -4,-2.1 -2,-0.2 -3,-0.3 -3,-0.2 0.824 134.7 16.8 -91.3 -36.1 5.4 40.2 15.2 452 456 A T H <5S- 0 0 6 -4,-3.2 -64,-0.3 -5,-0.3 -3,-0.2 0.602 92.7-120.9-119.5 -21.2 4.1 36.8 16.3 453 457 A G S < - 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0 0 15 -2,-0.3 3,-3.5 1,-0.1 4,-0.4 -0.947 35.8-142.1-133.0 121.7 19.4 43.3 34.8 791 309 B V G > S+ 0 0 0 -2,-0.4 3,-1.4 1,-0.3 -1,-0.1 0.697 97.7 71.7 -59.4 -21.2 17.4 44.2 37.8 792 310 B A G 3 S+ 0 0 7 1,-0.3 -1,-0.3 -3,-0.0 -351,-0.3 0.609 92.6 59.7 -67.7 -11.1 14.6 45.6 35.6 793 311 B D G < S+ 0 0 67 -3,-3.5 -1,-0.3 -354,-0.1 -2,-0.2 0.535 80.1 109.5 -91.7 -14.9 13.9 42.0 34.8 794 312 B V < - 0 0 0 -3,-1.4 -23,-0.2 -4,-0.4 2,-0.2 -0.378 68.0-131.2 -56.4 139.5 13.2 41.2 38.4 795 313 B N - 0 0 59 -25,-3.1 -141,-0.1 1,-0.1 -2,-0.1 -0.628 6.3-140.4-101.6 158.5 9.6 40.5 38.9 796 314 B S + 0 0 55 -143,-0.2 3,-0.1 -2,-0.2 -65,-0.1 0.426 65.9 113.2 -95.1 -0.3 7.3 42.0 41.7 797 315 B S S S- 0 0 64 1,-0.2 2,-0.1 -27,-0.1 -2,-0.1 -0.134 82.6 -68.9 -59.4 161.7 5.4 38.7 42.3 798 316 B P - 0 0 89 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 -0.341 42.5-155.6 -49.8 124.7 5.5 36.6 45.5 799 317 B A E -x 732 0S 8 -68,-0.8 -66,-2.3 -30,-0.1 2,-0.4 -0.847 14.2-165.7-109.0 94.4 8.9 34.9 45.9 800 318 B R E -x 733 0S 135 -2,-0.7 2,-0.3 -68,-0.3 -66,-0.2 -0.627 20.1-126.0 -87.8 124.1 8.2 31.9 48.1 801 319 B F - 0 0 10 -68,-1.5 2,-0.5 -2,-0.4 -1,-0.1 -0.559 29.1-174.1 -71.6 130.7 11.1 30.1 49.6 802 320 B D > - 0 0 76 -2,-0.3 4,-1.8 1,-0.1 3,-0.2 -0.965 14.1-168.0-132.4 98.5 10.9 26.4 48.6 803 321 B Q H > S+ 0 0 29 -2,-0.5 4,-3.2 1,-0.2 5,-0.2 0.829 87.4 60.2 -62.5 -32.7 13.5 24.1 50.3 804 322 B K H > S+ 0 0 171 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.927 108.5 45.6 -62.0 -39.2 12.8 21.2 47.9 805 323 B K H > S+ 0 0 74 2,-0.2 4,-2.7 -3,-0.2 5,-0.2 0.923 112.8 48.1 -67.5 -45.5 13.8 23.4 45.0 806 324 B A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.948 112.8 50.3 -62.5 -47.8 16.9 24.7 46.7 807 325 B D H X S+ 0 0 33 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.916 111.2 49.7 -53.0 -44.9 17.8 21.1 47.6 808 326 B A H X S+ 0 0 52 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.892 110.5 47.6 -67.4 -38.4 17.3 20.0 44.0 809 327 B L H X S+ 0 0 5 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.878 111.3 51.2 -69.4 -40.4 19.4 22.7 42.4 810 328 B N H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.939 108.5 52.1 -61.0 -42.7 22.3 22.1 44.9 811 329 B A H X S+ 0 0 15 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.923 109.5 49.7 -53.7 -47.5 22.2 18.4 44.1 812 330 B E H X S+ 0 0 68 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.877 111.8 48.2 -60.3 -39.0 22.4 19.2 40.4 813 331 B H H X S+ 0 0 12 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.818 107.3 55.8 -74.0 -31.8 25.4 21.5 41.1 814 332 B I H >< S+ 0 0 0 -4,-2.5 3,-1.1 2,-0.2 -2,-0.2 0.967 109.6 46.6 -64.2 -43.2 27.1 18.8 43.1 815 333 B R H 3< S+ 0 0 126 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.879 104.9 63.0 -60.3 -32.5 26.8 16.4 40.1 816 334 B M H 3< S+ 0 0 90 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.776 83.9 97.3 -71.1 -25.3 28.1 19.1 37.9 817 335 B L S << S- 0 0 20 -3,-1.1 2,-0.0 -4,-0.8 -3,-0.0 -0.267 86.3-102.3 -60.4 144.7 31.5 19.3 39.7 818 336 B D > - 0 0 109 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.385 38.0-113.2 -61.2 147.7 34.5 17.5 38.4 819 337 B V H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.870 114.5 50.0 -55.8 -36.8 35.1 14.3 40.5 820 338 B G H > S+ 0 0 38 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.911 111.0 48.1 -74.0 -38.8 38.3 15.6 42.0 821 339 B D H > S+ 0 0 51 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.965 113.3 48.2 -61.2 -54.6 36.9 18.9 43.0 822 340 B F H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.873 108.4 55.5 -48.4 -43.5 33.9 17.2 44.5 823 341 B T H X S+ 0 0 13 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.944 108.7 46.3 -63.2 -50.8 36.1 14.7 46.4 824 342 B V H X S+ 0 0 63 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.935 113.5 48.9 -56.6 -51.1 38.1 17.5 48.1 825 343 B R H X S+ 0 0 53 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.880 113.6 47.1 -56.6 -36.8 34.9 19.4 49.1 826 344 B L H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 5,-0.3 0.925 112.7 47.4 -73.3 -46.5 33.4 16.2 50.5 827 345 B R H X S+ 0 0 79 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.937 113.6 49.5 -54.3 -49.6 36.5 15.2 52.5 828 346 B D H X S+ 0 0 77 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.881 111.9 48.5 -59.1 -40.2 36.8 18.7 53.8 829 347 B H H X S+ 0 0 25 -4,-1.9 4,-0.8 -5,-0.2 -2,-0.2 0.948 114.8 42.9 -69.9 -50.8 33.1 18.8 54.8 830 348 B L H ><>S+ 0 0 2 -4,-2.7 5,-3.3 1,-0.2 3,-0.7 0.934 116.5 50.0 -54.2 -49.0 33.1 15.4 56.6 831 349 B D H ><5S+ 0 0 58 -4,-3.0 3,-1.6 4,-0.3 5,-0.3 0.917 110.0 47.5 -60.8 -47.4 36.5 16.2 58.2 832 350 B T H 3<5S+ 0 0 115 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.609 108.6 57.0 -75.0 -11.3 35.4 19.6 59.6 833 351 B H T <<5S- 0 0 67 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.278 122.9-103.4-100.8 7.9 32.2 18.2 61.0 834 352 B G T < 5S+ 0 0 67 -3,-1.6 -3,-0.2 -4,-0.1 -2,-0.1 0.778 93.9 115.3 79.7 22.7 34.1 15.6 63.0 835 353 B H < + 0 0 57 -5,-3.3 -4,-0.3 -6,-0.2 -3,-0.1 -0.222 36.1 166.8-119.4 49.4 33.2 13.0 60.4 836 354 B H - 0 0 109 -5,-0.3 2,-0.5 -6,-0.2 -9,-0.1 -0.327 31.2-134.9 -71.4 141.5 36.4 11.8 58.8 837 355 B I - 0 0 3 2,-0.1 2,-2.0 -10,-0.1 -1,-0.1 -0.885 11.8-132.2-100.1 128.6 36.0 8.6 56.8 838 356 B A + 0 0 56 -2,-0.5 2,-0.3 28,-0.1 32,-0.1 -0.482 65.4 108.9 -91.5 66.9 38.6 6.1 57.4 839 357 B L - 0 0 23 -2,-2.0 -2,-0.1 1,-0.0 114,-0.0 -0.961 67.0-109.6-130.4 151.7 39.6 5.1 53.8 840 358 B D > - 0 0 108 -2,-0.3 4,-3.3 1,-0.0 5,-0.3 -0.014 43.1 -86.7 -71.5 179.7 42.7 5.9 52.0 841 359 B E H > S+ 0 0 138 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.910 126.8 42.0 -60.5 -49.3 43.1 8.3 49.1 842 360 B A H > S+ 0 0 79 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.928 119.4 45.3 -65.5 -41.5 42.2 5.9 46.3 843 361 B A H > S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.891 111.8 50.3 -69.7 -40.6 39.4 4.3 48.3 844 362 B F H X S+ 0 0 12 -4,-3.3 4,-3.1 2,-0.2 -1,-0.2 0.877 109.4 52.5 -66.6 -33.6 37.9 7.6 49.5 845 363 B A H X S+ 0 0 25 -4,-1.7 4,-1.9 -5,-0.3 -2,-0.2 0.908 109.2 48.4 -72.3 -36.7 37.9 8.8 45.9 846 364 B A H X S+ 0 0 34 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.893 113.7 48.6 -60.2 -40.7 36.0 5.8 44.7 847 365 B A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.939 108.1 53.0 -68.1 -47.3 33.6 6.3 47.6 848 366 B A H X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.885 108.1 51.4 -50.5 -44.3 33.2 9.9 46.8 849 367 B E H < S+ 0 0 92 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.874 106.9 53.9 -65.5 -34.7 32.3 9.1 43.2 850 368 B L H >< S+ 0 0 25 -4,-1.6 3,-0.6 1,-0.2 -1,-0.2 0.944 116.1 38.2 -60.3 -47.1 29.7 6.6 44.3 851 369 B V H >< S+ 0 0 0 -4,-2.1 3,-2.2 1,-0.2 4,-0.3 0.669 91.8 86.7 -84.7 -13.5 28.0 9.2 46.5 852 370 B Q T 3< S+ 0 0 12 -4,-1.7 3,-0.3 1,-0.3 -1,-0.2 0.780 99.9 37.7 -52.2 -30.1 28.4 12.3 44.2 853 371 B T T < S+ 0 0 53 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.1 0.342 111.7 60.3-103.8 4.1 25.1 11.2 42.4 854 372 B R S < S+ 0 0 64 -3,-2.2 2,-0.3 -4,-0.0 -2,-0.2 0.137 93.4 65.7-127.9 15.0 23.3 10.0 45.5 855 373 B I - 0 0 9 -4,-0.3 3,-0.1 -3,-0.3 -41,-0.1 -0.923 50.4-160.9-132.8 162.1 23.1 13.1 47.7 856 374 B V S S+ 0 0 51 1,-0.4 2,-0.3 -2,-0.3 -42,-0.1 0.571 87.5 26.2-111.9 -22.7 21.5 16.6 47.7 857 375 B V S > S- 0 0 0 -100,-0.1 3,-2.2 -47,-0.1 4,-0.4 -0.986 81.1-116.7-137.2 153.1 23.8 18.1 50.3 858 376 B L G > S+ 0 0 9 -102,-2.8 3,-1.2 -2,-0.3 4,-0.3 0.792 111.9 67.1 -54.8 -29.4 27.3 17.3 51.4 859 377 B G G > S+ 0 0 28 -104,-1.9 3,-1.1 1,-0.3 4,-0.5 0.732 87.0 68.3 -65.6 -22.5 26.0 16.4 54.8 860 378 B D G <> S+ 0 0 66 -3,-2.2 4,-1.4 1,-0.3 3,-0.3 0.754 82.0 74.7 -71.4 -24.7 24.1 13.4 53.4 861 379 B A H <> S+ 0 0 0 -3,-1.2 4,-2.5 -4,-0.4 -1,-0.3 0.824 85.4 68.1 -51.0 -33.2 27.5 11.6 52.7 862 380 B W H <> S+ 0 0 36 -3,-1.1 4,-1.8 -4,-0.3 -1,-0.2 0.933 102.3 38.0 -63.8 -55.1 27.8 10.9 56.4 863 381 B E H 4 S+ 0 0 133 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.2 0.836 120.5 50.7 -65.9 -31.8 24.9 8.4 56.9 864 382 B L H < S+ 0 0 35 -4,-1.4 3,-0.2 1,-0.2 -2,-0.2 0.866 121.6 28.3 -66.4 -38.8 25.8 6.9 53.5 865 383 B L H >< S+ 0 0 0 -4,-2.5 3,-2.1 1,-0.2 -2,-0.2 0.595 91.2 92.2-104.1 -16.9 29.5 6.4 54.0 866 384 B K G >< + 0 0 27 -4,-1.8 3,-0.9 1,-0.3 6,-0.2 0.450 68.5 76.4 -81.6 -1.5 30.0 6.0 57.7 867 385 B F G 3 S+ 0 0 10 -3,-0.2 -1,-0.3 1,-0.2 6,-0.1 0.577 80.9 73.8 -77.4 -10.9 29.8 2.2 57.7 868 386 B F G < S+ 0 0 0 -3,-2.1 2,-0.6 4,-0.1 -1,-0.2 0.625 83.9 80.3 -75.8 -14.3 33.3 2.3 56.3 869 387 B N S X> S- 0 0 8 -3,-0.9 3,-1.8 1,-0.1 4,-1.0 -0.859 74.1-150.3 -93.2 122.7 34.4 3.3 59.9 870 388 B D G >4 S+ 0 0 98 -2,-0.6 3,-0.5 1,-0.3 -1,-0.1 0.856 98.9 56.5 -56.6 -36.9 34.7 0.3 62.3 871 389 B D G 34 S+ 0 0 122 1,-0.2 -1,-0.3 -3,-0.1 -4,-0.1 0.544 110.3 44.8 -74.6 -6.9 33.8 2.6 65.1 872 390 B Q G <4 S+ 0 0 66 -3,-1.8 -1,-0.2 -6,-0.2 -2,-0.2 0.514 80.6 120.9-112.5 -6.8 30.6 3.6 63.4 873 391 B Y << + 0 0 63 -4,-1.0 2,-0.3 -3,-0.5 66,-0.1 -0.313 33.6 160.0 -66.3 125.3 29.4 0.2 62.3 874 392 B V - 0 0 85 64,-0.4 2,-0.7 -2,-0.0 -3,-0.0 -0.942 37.6-129.3-150.0 129.5 26.0 -0.5 63.8 875 393 B I - 0 0 59 -2,-0.3 65,-0.1 1,-0.0 64,-0.1 -0.739 26.3-126.2 -83.8 115.6 23.4 -3.0 62.7 876 394 B D > - 0 0 60 63,-2.6 4,-2.1 -2,-0.7 5,-0.2 -0.423 15.8-139.2 -51.6 123.0 20.0 -1.4 62.4 877 395 B P H > S+ 0 0 100 0, 0.0 4,-1.8 0, 0.0 5,-0.3 0.889 100.7 49.3 -56.2 -46.2 17.5 -3.4 64.6 878 396 B K H > S+ 0 0 143 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.894 112.7 48.2 -62.8 -35.9 14.7 -3.4 62.1 879 397 B A H > S+ 0 0 0 1,-0.2 4,-2.9 60,-0.2 5,-0.3 0.869 110.6 51.0 -75.9 -36.0 17.0 -4.5 59.3 880 398 B A H X S+ 0 0 26 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.856 111.2 46.8 -62.8 -42.3 18.5 -7.3 61.4 881 399 B A H < S+ 0 0 85 -4,-1.8 4,-0.2 -5,-0.2 -2,-0.2 0.919 118.1 43.5 -75.9 -35.3 15.2 -8.7 62.3 882 400 B K H < S+ 0 0 117 -4,-1.9 3,-0.3 -5,-0.3 -2,-0.2 0.946 130.9 19.3 -61.2 -53.3 14.0 -8.5 58.8 883 401 B E H < S+ 0 0 41 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.532 117.9 57.1-108.1 -13.9 17.1 -9.9 57.0 884 402 B L S < S+ 0 0 41 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.1 -0.130 79.2 101.0-126.5 37.5 19.2 -11.7 59.6 885 403 B G S > S- 0 0 26 -3,-0.3 3,-1.7 -4,-0.2 2,-0.1 -0.493 99.0 -58.9 -94.1-172.6 16.7 -14.3 60.8 886 404 B P T > S+ 0 0 128 0, 0.0 3,-0.8 0, 0.0 4,-0.5 0.355 129.4 65.3 -65.9 -3.2 16.9 -17.8 59.5 887 405 B D T >> S+ 0 0 109 1,-0.3 4,-1.1 2,-0.1 3,-0.5 0.891 95.6 78.7 -75.8 -46.1 16.4 -17.3 55.7 888 406 B G H <> S+ 0 0 6 -3,-1.7 4,-2.6 1,-0.2 -1,-0.3 0.568 76.5 59.2 49.8 -95.5 19.4 -15.9 56.8 889 407 B A H <> S+ 0 0 57 -3,-0.8 4,-2.6 1,-0.3 5,-0.3 0.859 101.7 48.9 -74.5 -42.3 21.6 -18.9 57.0 890 408 B A H <> S+ 0 0 55 -3,-0.5 4,-2.7 -4,-0.5 -1,-0.3 0.932 114.3 47.1 -60.6 -47.5 21.5 -20.3 53.6 891 409 B V H X S+ 0 0 1 -4,-1.1 4,-3.0 1,-0.2 5,-0.2 0.958 116.0 43.0 -60.7 -55.7 22.3 -16.9 52.0 892 410 B L H X S+ 0 0 3 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.857 114.0 51.6 -60.6 -37.3 25.1 -16.1 54.4 893 411 B D H X S+ 0 0 92 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.959 114.2 42.9 -65.2 -47.2 26.6 -19.6 54.2 894 412 B A H X S+ 0 0 23 -4,-2.7 4,-1.9 -5,-0.3 -2,-0.2 0.914 113.3 51.5 -67.0 -40.5 26.6 -19.5 50.5 895 413 B A H X S+ 0 0 0 -4,-3.0 4,-2.9 -5,-0.2 5,-0.2 0.917 110.0 50.0 -63.6 -40.3 27.9 -16.0 50.3 896 414 B L H X S+ 0 0 14 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.962 111.3 49.1 -63.5 -46.6 30.8 -16.8 52.7 897 415 B A H X S+ 0 0 68 -4,-2.5 4,-1.1 -5,-0.2 -1,-0.2 0.899 114.7 45.6 -48.9 -49.9 31.8 -19.9 50.6 898 416 B A H >X S+ 0 0 9 -4,-1.9 4,-0.8 -5,-0.2 3,-0.6 0.933 109.3 52.3 -76.8 -40.1 31.7 -17.9 47.5 899 417 B L H >< S+ 0 0 0 -4,-2.9 3,-0.9 1,-0.2 -1,-0.2 0.888 104.1 57.8 -57.0 -40.7 33.6 -14.9 48.8 900 418 B T H 3< S+ 0 0 96 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.894 105.6 53.2 -52.1 -35.7 36.3 -17.2 49.9 901 419 B S H << S+ 0 0 75 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.631 78.4 111.0 -81.5 -18.5 36.6 -18.4 46.3 902 420 B V << - 0 0 8 -3,-0.9 3,-0.1 -4,-0.8 8,-0.1 -0.392 54.6-159.2 -61.1 130.6 37.0 -15.0 44.8 903 421 B T S S+ 0 0 123 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.880 75.8 25.8 -89.8 -37.1 40.5 -14.8 43.5 904 422 B D S S- 0 0 105 2,-0.1 2,-1.8 0, 0.0 -1,-0.3 -0.997 84.9-122.0-125.7 134.3 41.0 -11.0 43.4 905 423 B W + 0 0 36 -2,-0.4 2,-0.3 -3,-0.1 50,-0.1 -0.455 62.7 130.5 -81.0 84.5 39.0 -8.7 45.6 906 424 B T >> - 0 0 49 -2,-1.8 4,-2.9 1,-0.1 3,-0.6 -0.959 68.2-112.4-137.4 150.4 37.3 -6.5 43.0 907 425 B A H 3> S+ 0 0 3 -2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.841 114.8 50.2 -56.1 -39.6 33.7 -5.5 42.6 908 426 B P H 3> S+ 0 0 86 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.883 114.2 44.0 -72.8 -29.9 33.2 -7.5 39.4 909 427 B L H <> S+ 0 0 71 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.847 114.7 48.9 -77.0 -35.4 34.7 -10.7 40.8 910 428 B I H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.915 113.9 47.0 -61.6 -49.5 32.7 -10.3 44.1 911 429 B E H X S+ 0 0 74 -4,-2.6 4,-3.3 -5,-0.3 5,-0.3 0.946 112.0 49.9 -60.5 -46.0 29.5 -9.7 42.1 912 430 B A H X S+ 0 0 53 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.904 112.3 48.0 -57.0 -44.8 30.2 -12.7 39.8 913 431 B A H X S+ 0 0 9 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.882 114.8 45.4 -61.3 -39.8 30.9 -15.0 42.8 914 432 B L H X>S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.5 0.882 110.5 52.1 -80.4 -40.6 27.7 -13.8 44.6 915 433 B K H X>S+ 0 0 53 -4,-3.3 4,-2.3 1,-0.2 5,-2.1 0.928 111.5 48.7 -47.9 -49.2 25.5 -14.0 41.5 916 434 B D H <>S+ 0 0 83 -4,-1.8 5,-1.0 -5,-0.3 -2,-0.2 0.735 118.1 38.0 -79.5 -24.2 26.6 -17.6 41.0 917 435 B A H <>S+ 0 0 18 -4,-1.2 5,-0.9 3,-0.2 -1,-0.2 0.828 129.1 28.6 -86.8 -39.6 26.1 -18.7 44.6 918 436 B L H <5S+ 0 0 0 -4,-2.7 6,-2.0 3,-0.2 -3,-0.2 0.812 130.6 28.6 -94.8 -37.4 22.9 -16.8 45.3 919 437 B I T < - 0 0 33 -2,-0.1 4,-1.5 1,-0.1 3,-0.3 -0.593 35.9-124.1 -64.2 135.3 15.5 -13.2 43.4 926 444 B P H >> S+ 0 0 5 0, 0.0 4,-1.3 0, 0.0 3,-0.7 0.904 110.4 57.5 -58.5 -51.9 18.4 -10.8 43.5 927 445 B R H >> S+ 0 0 188 -621,-0.3 4,-1.2 1,-0.3 3,-0.8 0.927 116.5 36.6 -29.7 -62.3 16.6 -8.3 45.7 928 446 B K H 34 S+ 0 0 132 -3,-0.3 -1,-0.3 1,-0.2 -4,-0.0 0.690 112.1 63.4 -71.4 -18.0 16.2 -11.1 48.2 929 447 B A H << S+ 0 0 0 -4,-1.5 -1,-0.2 -3,-0.7 -2,-0.2 0.620 112.6 28.8 -86.4 -15.5 19.6 -12.5 47.4 930 448 B F H S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.901 113.4 51.2 -63.2 -42.8 21.2 -10.0 54.0 933 451 B I H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.932 111.0 48.5 -57.0 -48.5 24.6 -9.4 52.5 934 452 B R H X>S+ 0 0 54 -4,-3.2 4,-2.8 1,-0.2 5,-0.7 0.930 112.7 46.6 -58.1 -48.8 24.0 -5.6 52.5 935 453 B V H X5S+ 0 0 0 -4,-2.4 4,-1.1 -5,-0.2 -1,-0.2 0.866 114.2 48.3 -67.1 -37.7 22.8 -5.6 56.1 936 454 B A H <5S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.945 118.6 38.8 -62.1 -50.4 25.7 -7.7 57.2 937 455 B A H <5S+ 0 0 1 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.873 135.8 16.4 -70.2 -38.7 28.3 -5.6 55.4 938 456 B T H <5S- 0 0 5 -4,-2.8 -64,-0.4 2,-0.3 -3,-0.2 0.687 92.3-123.3-117.0 -28.9 26.8 -2.1 56.0 939 457 B G S < - 0 0 36 0, 0.0 4,-2.0 0, 0.0 3,-0.3 -0.161 61.4-131.0 -40.9 121.3 26.1 0.1 45.4 946 464 B L H > S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.835 95.3 46.1 -57.3 -51.9 26.8 -3.2 47.1 947 465 B F H > S+ 0 0 31 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.863 114.6 48.0 -69.2 -32.9 29.7 -4.8 45.2 948 466 B E H > S+ 0 0 81 -3,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.876 110.1 53.9 -70.3 -33.4 31.7 -1.6 45.1 949 467 B S H X S+ 0 0 1 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.850 107.6 50.1 -66.2 -35.7 31.0 -1.3 48.8 950 468 B L H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 8,-0.2 0.874 108.0 54.1 -68.1 -38.6 32.4 -4.8 49.4 951 469 B E H < S+ 0 0 66 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.910 110.9 44.4 -58.6 -44.4 35.5 -4.0 47.4 952 470 B L H < S+ 0 0 23 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.785 108.1 56.8 -81.6 -28.9 36.3 -0.9 49.5 953 471 B L H < S- 0 0 6 -4,-1.7 4,-0.4 -5,-0.2 -1,-0.2 0.851 108.9-136.1 -60.1 -36.5 35.6 -2.6 52.8 954 472 B G X - 0 0 22 -4,-1.4 4,-2.4 3,-0.1 5,-0.2 -0.001 19.8 -80.0 90.2 158.2 38.2 -5.2 51.7 955 473 B R H > S+ 0 0 87 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.956 125.2 50.0 -57.2 -55.9 38.2 -9.0 52.0 956 474 B D H > S+ 0 0 134 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.865 115.2 42.9 -56.6 -41.6 39.1 -9.3 55.6 957 475 B R H > S+ 0 0 58 -4,-0.4 4,-2.3 2,-0.2 5,-0.3 0.914 114.0 49.8 -75.0 -44.7 36.5 -6.8 56.8 958 476 B S H X S+ 0 0 0 -4,-2.4 4,-2.7 -8,-0.2 5,-0.3 0.931 112.5 48.6 -56.4 -44.7 33.7 -8.1 54.6 959 477 B M H X S+ 0 0 15 -4,-3.1 4,-2.7 -5,-0.2 5,-0.2 0.935 111.0 50.3 -62.2 -43.0 34.4 -11.7 55.8 960 478 B Q H X S+ 0 0 124 -4,-1.8 4,-2.6 -5,-0.3 -1,-0.2 0.916 114.6 40.9 -65.9 -47.3 34.4 -10.6 59.4 961 479 B R H X S+ 0 0 14 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.929 117.3 49.7 -66.6 -42.1 31.1 -8.7 59.3 962 480 B L H X S+ 0 0 0 -4,-2.7 4,-1.3 -5,-0.3 -2,-0.2 0.824 113.4 46.6 -66.2 -33.2 29.5 -11.4 57.1 963 481 B R H X S+ 0 0 101 -4,-2.7 4,-1.6 -5,-0.3 -1,-0.2 0.882 110.2 51.9 -75.0 -40.4 30.7 -14.1 59.5 964 482 B A H < S+ 0 0 63 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.858 108.3 52.1 -64.3 -36.3 29.5 -12.3 62.6 965 483 B A H < S+ 0 0 17 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.868 101.8 60.8 -68.2 -37.3 26.1 -11.9 61.0 966 484 B R H < 0 0 99 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.928 360.0 360.0 -48.2 -49.5 26.1 -15.6 60.4 967 485 B Q < 0 0 154 -4,-1.6 -3,-0.0 0, 0.0 0, 0.0 -0.305 360.0 360.0 -59.7 360.0 26.4 -16.1 64.2