==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 29-JUL-10 2XMP . COMPND 2 MOLECULE: TREHALOSE-SYNTHASE TRET; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.-N.SONG,T.-Y.JUNG,S.-M.YOON,S.-B.LEE,M.-Y.LIM,E.-J.WOO . 824 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 607 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 106 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.6 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 0.2 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 . 69 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 121 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 283 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.1 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 0 2 0 2 2 4 2 1 5 8 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 6 6 4 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 . 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 M 0 0 6 0, 0.0 75,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 122.5 30.4 -4.1 131.3 2 4 A Y E -A 75 0A 163 73,-1.2 73,-2.9 118,-0.0 2,-0.3 -0.555 360.0-129.9-110.0 175.9 33.1 -1.4 131.3 3 5 A E E -A 74 0A 34 71,-0.3 71,-0.2 -2,-0.2 3,-0.1 -0.935 4.4-144.9-128.5 152.2 33.0 2.4 130.9 4 6 A V + 0 0 19 69,-2.5 2,-3.6 -2,-0.3 -1,-0.1 0.927 25.5 167.6 -81.5 -48.1 35.0 4.8 128.7 5 7 A K + 0 0 110 68,-0.4 2,-0.2 1,-0.0 -1,-0.1 0.080 66.7 61.1 58.1 -32.9 35.4 7.8 131.0 6 8 A E S S- 0 0 158 -2,-3.6 2,-0.2 -3,-0.1 -1,-0.0 -0.467 71.6-149.2-110.0-176.6 38.0 9.0 128.4 7 9 A F > - 0 0 30 -2,-0.2 3,-1.6 1,-0.1 5,-0.1 -0.796 12.1-151.3-161.5 113.1 37.8 9.9 124.7 8 10 A S T 3 S+ 0 0 97 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.906 98.5 64.7 -50.6 -47.2 40.5 9.5 122.1 9 11 A S T 3 S- 0 0 31 1,-0.2 2,-0.3 49,-0.1 -1,-0.3 0.812 108.7-132.9 -46.4 -33.2 39.1 12.5 120.1 10 12 A G < - 0 0 29 -3,-1.6 2,-0.5 48,-0.2 -1,-0.2 -0.868 55.1 -20.1 114.5-148.3 40.0 14.6 123.1 11 13 A K S S- 0 0 150 -2,-0.3 -1,-0.1 -3,-0.1 48,-0.1 -0.244 75.1-173.8 -93.2 46.4 37.8 17.1 124.9 12 14 A R + 0 0 43 -2,-0.5 54,-0.4 46,-0.2 2,-0.3 -0.110 7.6 174.5 -42.6 126.7 35.4 17.5 121.9 13 15 A K > - 0 0 87 52,-0.1 3,-3.5 1,-0.1 4,-0.3 -0.993 47.5-107.8-141.5 145.1 33.0 20.4 122.7 14 16 A L G > S+ 0 0 4 49,-0.4 3,-2.1 -2,-0.3 4,-0.1 0.804 117.7 66.5 -37.6 -40.5 30.3 22.0 120.6 15 17 A E G > S+ 0 0 90 1,-0.3 3,-2.1 2,-0.2 4,-0.4 0.801 83.7 70.9 -54.3 -34.5 32.7 25.0 120.5 16 18 A D G < S+ 0 0 69 -3,-3.5 -1,-0.3 1,-0.3 -2,-0.2 0.564 104.5 42.7 -63.1 -5.5 35.3 23.0 118.4 17 19 A Y G X> S+ 0 0 0 -3,-2.1 4,-2.7 -4,-0.3 3,-0.6 0.246 78.9 105.3-121.6 8.4 32.8 23.3 115.5 18 20 A K H <> S+ 0 0 52 -3,-2.1 4,-2.1 1,-0.3 -2,-0.1 0.935 82.8 51.7 -56.0 -44.9 31.7 26.9 115.9 19 21 A S H 34 S+ 0 0 119 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.800 114.7 44.5 -60.2 -30.6 33.9 27.8 112.9 20 22 A I H <4 S+ 0 0 25 -3,-0.6 -2,-0.2 1,-0.1 -1,-0.2 0.907 124.4 25.2 -83.2 -47.9 32.2 25.0 110.9 21 23 A I H < S- 0 0 21 -4,-2.7 4,-0.5 1,-0.1 -2,-0.2 0.514 102.8-120.8 -99.9 -6.0 28.5 25.3 111.7 22 24 A G X - 0 0 32 -4,-2.1 4,-1.6 -5,-0.4 -1,-0.1 0.110 26.4 -86.9 83.5 156.8 28.1 29.0 112.6 23 25 A E H > S+ 0 0 127 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.832 120.1 61.4 -73.8 -35.7 26.9 30.5 115.8 24 26 A E H > S+ 0 0 179 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.960 113.5 40.2 -55.4 -46.2 23.2 30.6 115.1 25 27 A E H > S+ 0 0 52 -4,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.843 110.0 56.7 -70.2 -37.5 23.4 26.8 114.8 26 28 A V H X S+ 0 0 1 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.898 114.3 42.9 -60.8 -37.3 25.7 26.4 117.8 27 29 A S H X S+ 0 0 59 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.979 106.7 56.8 -70.2 -58.5 23.1 28.2 119.7 28 30 A K H X S+ 0 0 80 -4,-3.1 4,-1.4 -5,-0.2 -1,-0.2 0.792 112.4 47.7 -44.1 -29.7 20.1 26.4 118.3 29 31 A I H X S+ 0 0 2 -4,-1.6 4,-1.0 2,-0.2 -2,-0.2 0.986 109.3 48.8 -74.6 -63.9 21.9 23.3 119.5 30 32 A Q H < S+ 0 0 82 -4,-2.3 3,-0.4 1,-0.2 4,-0.3 0.790 110.0 55.4 -44.2 -38.0 22.7 24.6 123.0 31 33 A E H >X S+ 0 0 124 -4,-3.0 3,-2.6 1,-0.2 4,-1.0 0.982 105.1 48.5 -61.8 -59.5 19.0 25.6 123.4 32 34 A K H 3< S+ 0 0 49 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.629 110.8 55.7 -57.2 -12.8 17.6 22.2 122.6 33 35 A A T 3< S+ 0 0 0 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.481 93.4 67.2 -99.1 -6.4 20.1 20.8 125.2 34 36 A E T X4 S+ 0 0 106 -3,-2.6 3,-2.7 -4,-0.3 -2,-0.2 0.910 93.1 57.9 -77.4 -45.3 19.0 23.1 128.0 35 37 A K T 3< S+ 0 0 144 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.637 113.6 42.4 -59.1 -13.5 15.6 21.4 128.3 36 38 A L T > S+ 0 0 4 3,-0.1 3,-1.5 -3,-0.0 -1,-0.3 0.074 84.8 145.9-120.8 20.9 17.6 18.2 128.9 37 39 A K T < + 0 0 148 -3,-2.7 32,-0.2 1,-0.2 3,-0.1 -0.368 69.9 10.4 -64.3 132.7 20.2 19.7 131.2 38 40 A G T 3 S+ 0 0 55 30,-2.9 -1,-0.2 1,-0.2 31,-0.2 0.501 95.7 139.3 78.7 4.4 21.5 17.4 134.0 39 41 A R < - 0 0 100 -3,-1.5 31,-1.4 29,-0.3 2,-0.6 -0.311 56.8-113.2 -79.2 163.5 19.9 14.4 132.4 40 42 A S E +b 70 0A 14 29,-0.1 87,-1.6 -3,-0.1 2,-0.4 -0.880 35.1 172.5-101.0 121.2 21.4 10.9 132.2 41 43 A F E -bc 71 127A 0 29,-1.3 31,-2.0 -2,-0.6 2,-0.3 -0.824 11.0-177.8-131.1 90.9 22.1 9.8 128.6 42 44 A V E -bc 72 128A 0 85,-2.4 87,-3.0 -2,-0.4 2,-0.4 -0.708 13.1-157.0 -98.2 145.8 24.1 6.5 128.5 43 45 A H E -bc 73 129A 0 29,-2.5 31,-3.0 -2,-0.3 2,-0.4 -0.963 8.1-169.6-120.3 128.5 25.4 4.6 125.5 44 46 A V E +bc 74 130A 0 85,-2.4 87,-3.1 -2,-0.4 2,-0.2 -0.955 19.9 139.6-120.9 138.6 26.1 0.8 125.5 45 47 A N E -b 75 0A 7 29,-1.3 31,-1.5 -2,-0.4 87,-0.1 -0.883 56.5 -88.9-156.8-171.0 27.9 -1.2 122.8 46 48 A S S S- 0 0 9 -2,-0.2 2,-0.2 29,-0.2 29,-0.1 0.257 93.5 -3.3 -98.4 11.8 30.4 -3.9 122.0 47 49 A T - 0 0 46 27,-0.1 -1,-0.2 2,-0.1 30,-0.0 -0.774 37.8-147.7 167.6 147.9 33.8 -2.0 121.9 48 50 A S S S+ 0 0 26 -2,-0.2 3,-0.1 -3,-0.1 10,-0.1 0.330 94.9 49.7-108.4 4.4 35.5 1.3 122.1 49 51 A F S S+ 0 0 168 1,-0.3 6,-0.2 5,-0.0 -2,-0.1 0.687 98.2 41.0-105.1 -96.7 38.2 0.3 119.6 50 52 A G S S+ 0 0 53 4,-0.1 -1,-0.3 3,-0.0 4,-0.2 -0.283 93.6 47.0 -60.3 139.4 37.4 -1.2 116.2 51 53 A G S > S- 0 0 53 2,-0.1 4,-1.1 3,-0.1 -4,-0.0 -0.338 77.9-102.7 117.2 162.1 34.5 0.2 114.3 52 54 A G H > S+ 0 0 47 2,-0.2 4,-3.6 3,-0.1 5,-0.2 0.862 117.0 58.5 -87.2 -43.9 32.9 3.4 113.2 53 55 A V H > S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.900 108.8 48.1 -50.3 -42.6 30.2 3.4 115.9 54 56 A A H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.963 111.9 48.0 -62.5 -51.2 33.0 3.3 118.3 55 57 A E H < S+ 0 0 84 -4,-1.1 4,-0.5 1,-0.2 -2,-0.2 0.850 110.1 53.7 -58.4 -37.1 34.8 6.2 116.5 56 58 A I H >X S+ 0 0 36 -4,-3.6 4,-3.5 1,-0.2 3,-0.8 0.893 107.8 49.5 -65.0 -42.0 31.5 8.1 116.5 57 59 A L H 3X S+ 0 0 2 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.915 99.2 64.6 -63.6 -46.3 31.0 7.8 120.3 58 60 A H H 3< S+ 0 0 29 -4,-2.2 -48,-0.2 1,-0.2 -46,-0.2 0.699 118.9 28.1 -51.1 -20.8 34.5 9.0 121.1 59 61 A S H <> S+ 0 0 5 -3,-0.8 4,-1.8 -4,-0.5 -2,-0.2 0.776 120.1 53.7-106.3 -46.1 33.4 12.3 119.6 60 62 A L H X S+ 0 0 1 -4,-3.5 4,-2.4 2,-0.2 -3,-0.2 0.859 105.9 50.5 -59.5 -44.3 29.6 12.2 120.2 61 63 A V H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 10,-0.2 0.978 108.8 49.8 -61.9 -57.1 29.8 11.6 124.0 62 64 A P H > S+ 0 0 3 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.902 111.8 52.2 -46.9 -45.6 32.2 14.4 124.8 63 65 A L H < S+ 0 0 0 -4,-1.8 -49,-0.4 1,-0.2 4,-0.3 0.964 108.9 46.5 -56.2 -57.8 30.0 16.7 122.8 64 66 A L H ><>S+ 0 0 0 -4,-2.4 5,-1.9 1,-0.2 3,-1.2 0.890 113.0 53.6 -51.1 -42.0 26.8 15.7 124.6 65 67 A R H ><5S+ 0 0 87 -4,-2.9 3,-2.1 1,-0.3 4,-0.3 0.982 106.2 49.8 -55.9 -62.4 28.8 16.2 127.8 66 68 A S T 3<5S+ 0 0 60 -4,-2.9 -1,-0.3 -54,-0.4 -2,-0.2 0.368 105.6 60.2 -62.6 5.6 29.9 19.7 127.0 67 69 A I T < 5S- 0 0 15 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.334 126.9 -84.6-116.2 7.3 26.4 20.8 126.1 68 70 A G T < 5S+ 0 0 34 -3,-2.1 -30,-2.9 1,-0.2 2,-0.5 0.429 92.0 115.9 108.7 -0.2 24.7 20.2 129.5 69 71 A I < - 0 0 3 -5,-1.9 2,-3.3 -4,-0.3 -1,-0.2 -0.906 65.0-133.4-110.0 123.5 23.9 16.4 129.3 70 72 A E E + b 0 40A 95 -31,-1.4 -29,-1.3 -2,-0.5 2,-0.2 -0.344 40.6 179.0 -69.6 66.7 25.5 13.9 131.6 71 73 A A E - b 0 41A 0 -2,-3.3 2,-0.3 -10,-0.2 -29,-0.2 -0.493 3.3-179.3 -73.2 139.8 26.3 11.6 128.7 72 74 A R E - b 0 42A 65 -31,-2.0 -29,-2.5 -2,-0.2 2,-0.5 -0.994 15.5-147.6-142.5 147.7 28.1 8.4 129.7 73 75 A W E - b 0 43A 0 -2,-0.3 -69,-2.5 -31,-0.2 -68,-0.4 -0.958 13.4-178.8-125.9 122.5 29.4 5.4 127.6 74 76 A F E -Ab 3 44A 5 -31,-3.0 -29,-1.3 -2,-0.5 -71,-0.3 -0.874 10.5-153.4-116.2 148.9 29.6 1.8 128.7 75 77 A V E -Ab 2 45A 16 -73,-2.9 -73,-1.2 -2,-0.3 2,-0.4 -0.677 17.0-113.6-115.9 169.2 30.9 -1.2 126.8 76 78 A I - 0 0 9 -31,-1.5 2,-0.3 -75,-0.2 37,-0.1 -0.889 22.0-151.6-109.3 134.9 30.3 -5.0 126.8 77 79 A E + 0 0 87 -2,-0.4 39,-0.2 35,-0.2 -30,-0.0 -0.744 29.1 144.4-100.9 149.1 32.9 -7.6 127.9 78 80 A G - 0 0 41 -2,-0.3 2,-0.1 -32,-0.1 5,-0.0 -0.960 45.0 -96.0-178.1 159.3 32.9 -11.1 126.6 79 81 A P >> - 0 0 68 0, 0.0 3,-3.1 0, 0.0 4,-1.0 -0.442 48.0-102.0 -80.8 158.2 34.9 -14.2 125.4 80 82 A T H >> S+ 0 0 101 1,-0.3 4,-2.5 2,-0.2 3,-0.8 0.871 120.8 65.2 -45.9 -44.6 35.6 -14.9 121.7 81 83 A E H 3> S+ 0 0 140 1,-0.3 4,-0.7 2,-0.2 -1,-0.3 0.699 100.8 53.0 -54.1 -19.7 32.8 -17.4 121.6 82 84 A F H <> S+ 0 0 0 -3,-3.1 4,-1.6 2,-0.2 -1,-0.3 0.838 111.3 42.3 -85.4 -36.3 30.4 -14.5 122.3 83 85 A F H < S+ 0 0 0 -4,-3.2 68,-2.5 -5,-0.2 3,-0.6 0.924 106.2 49.5 -72.9 -45.5 22.3 -13.4 109.8 93 95 A L H 3< S+ 0 0 3 -4,-2.9 2,-0.7 1,-0.3 65,-0.2 0.792 108.4 57.7 -62.6 -28.7 20.4 -10.2 110.3 94 96 A Q T 3< S- 0 0 74 -4,-1.6 -1,-0.3 -5,-0.2 2,-0.2 -0.453 126.3 -90.1 -99.4 57.7 21.9 -8.9 107.1 95 97 A G S < S+ 0 0 15 -2,-0.7 65,-0.4 -3,-0.6 -1,-0.2 -0.471 79.1 129.9 75.0-140.7 20.6 -11.7 105.0 96 98 A N > - 0 0 90 -2,-0.2 3,-1.0 1,-0.2 -1,-0.1 0.975 35.4-171.5 50.0 69.5 22.7 -14.8 104.5 97 99 A E T 3 + 0 0 126 1,-0.3 -1,-0.2 62,-0.1 -5,-0.1 0.009 66.9 87.7 -83.8 32.5 19.9 -17.2 105.4 98 100 A S T 3 + 0 0 113 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.315 66.9 102.1-107.1 3.4 22.3 -20.1 105.5 99 101 A L < - 0 0 39 -3,-1.0 2,-0.5 -11,-0.1 63,-0.1 -0.659 62.1-145.3 -91.7 146.1 23.1 -19.5 109.1 100 102 A K - 0 0 158 -2,-0.3 2,-0.8 62,-0.1 -2,-0.0 -0.945 2.3-147.4-116.4 125.5 21.6 -21.6 111.9 101 103 A L - 0 0 21 -2,-0.5 2,-0.1 4,-0.0 -2,-0.0 -0.801 25.6-177.2 -95.3 110.7 20.6 -20.2 115.4 102 104 A T > - 0 0 61 -2,-0.8 4,-1.8 1,-0.1 5,-0.1 -0.415 38.4-111.7 -99.0 175.2 21.1 -22.8 118.0 103 105 A E H > S+ 0 0 106 2,-0.2 4,-3.4 1,-0.2 5,-0.4 0.890 115.1 62.8 -73.5 -41.1 20.5 -22.9 121.8 104 106 A E H > S+ 0 0 157 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.850 109.4 46.5 -51.6 -31.6 24.2 -23.0 122.7 105 107 A M H > S+ 0 0 33 2,-0.2 4,-3.3 3,-0.2 -2,-0.2 0.949 111.8 45.4 -76.7 -52.4 24.1 -19.6 121.0 106 108 A K H X S+ 0 0 60 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.891 114.9 50.7 -59.2 -40.8 21.0 -18.0 122.6 107 109 A E H X S+ 0 0 116 -4,-3.4 4,-3.0 2,-0.2 5,-0.2 0.973 113.5 44.0 -61.0 -53.5 22.3 -19.3 126.0 108 110 A L H X S+ 0 0 40 -4,-1.7 4,-2.7 -5,-0.4 5,-0.3 0.964 116.9 46.5 -54.9 -56.4 25.7 -17.7 125.4 109 111 A Y H X S+ 0 0 0 -4,-3.3 4,-1.6 1,-0.2 -2,-0.2 0.947 116.5 43.1 -50.8 -57.9 24.3 -14.5 124.1 110 112 A L H X S+ 0 0 38 -4,-3.1 4,-1.5 -5,-0.2 -1,-0.2 0.854 114.2 50.9 -60.6 -38.1 21.7 -14.1 126.8 111 113 A N H >X S+ 0 0 67 -4,-3.0 4,-2.3 -5,-0.3 3,-1.0 0.979 106.5 52.3 -64.7 -55.2 24.1 -15.1 129.6 112 114 A V H 3X S+ 0 0 13 -4,-2.7 4,-1.9 1,-0.3 -1,-0.2 0.860 111.3 51.0 -48.1 -36.1 26.8 -12.6 128.6 113 115 A N H 3< S+ 0 0 2 -4,-1.6 4,-0.3 -5,-0.3 -1,-0.3 0.828 107.8 51.3 -71.5 -33.5 24.0 -10.1 128.7 114 116 A R H XX S+ 0 0 90 -4,-1.5 3,-1.1 -3,-1.0 4,-0.7 0.969 111.9 45.7 -67.3 -54.2 22.9 -11.1 132.2 115 117 A E H >< S+ 0 0 95 -4,-2.3 3,-1.9 1,-0.3 4,-0.3 0.945 111.2 49.8 -54.1 -57.8 26.4 -10.8 133.7 116 118 A N T 3X S+ 0 0 6 -4,-1.9 4,-0.5 1,-0.3 3,-0.4 0.616 105.3 62.9 -60.9 -9.1 27.3 -7.5 132.1 117 119 A S T <4 S+ 0 0 8 -3,-1.1 -1,-0.3 -4,-0.3 5,-0.2 0.703 93.1 60.5 -88.6 -20.3 23.9 -6.2 133.4 118 120 A K T << S+ 0 0 137 -3,-1.9 -1,-0.2 -4,-0.7 -2,-0.2 0.391 95.0 64.7 -87.4 2.7 24.8 -6.7 137.1 119 121 A F T 4 S+ 0 0 119 -3,-0.4 2,-0.4 1,-0.3 -1,-0.2 0.884 111.4 19.8 -90.7 -46.1 27.8 -4.3 137.0 120 122 A I S < S- 0 0 44 -4,-0.5 2,-0.8 -118,-0.0 -1,-0.3 -0.968 75.4-129.1-132.5 120.9 26.0 -1.0 136.3 121 123 A D + 0 0 70 -2,-0.4 3,-0.5 1,-0.2 4,-0.2 -0.520 26.6 178.2 -69.3 107.6 22.3 -0.3 136.9 122 124 A L S > S+ 0 0 0 -2,-0.8 3,-1.7 -5,-0.2 -1,-0.2 0.786 70.7 71.3 -80.9 -29.2 21.1 1.2 133.6 123 125 A S T 3 S+ 0 0 3 1,-0.3 22,-0.2 21,-0.1 -1,-0.2 0.689 87.5 69.5 -61.3 -16.8 17.5 1.6 134.6 124 126 A S T 3 S+ 0 0 63 -3,-0.5 -1,-0.3 21,-0.1 2,-0.2 0.728 81.2 90.7 -74.0 -23.7 18.6 4.5 136.8 125 127 A F S < S- 0 0 13 -3,-1.7 20,-0.2 -4,-0.2 3,-0.1 -0.516 80.3-128.4 -80.2 141.6 19.5 6.8 133.9 126 128 A D S S+ 0 0 56 -2,-0.2 2,-0.3 1,-0.2 -85,-0.2 0.788 96.5 16.4 -55.6 -30.1 17.0 9.2 132.4 127 129 A Y E -c 41 0A 16 -87,-1.6 -85,-2.4 19,-0.2 2,-0.4 -0.971 66.5-165.2-150.4 132.4 17.8 7.8 129.0 128 130 A V E -cd 42 148A 0 19,-1.8 21,-3.2 -2,-0.3 2,-0.5 -0.964 2.4-169.3-122.3 130.9 19.5 4.6 127.7 129 131 A L E -cd 43 149A 0 -87,-3.0 -85,-2.4 -2,-0.4 2,-0.5 -0.969 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-1,-0.3 0.518 125.0 77.6 -75.0 -3.4 22.1 5.9 101.2 348 350 A I H <> S+ 0 0 1 -3,-2.2 4,-1.6 -23,-0.4 -1,-0.2 0.799 95.0 46.6 -76.9 -26.7 23.7 7.0 98.0 349 351 A K H << S+ 0 0 115 -4,-1.2 -1,-0.2 -3,-0.9 5,-0.2 0.793 112.6 52.3 -81.8 -29.5 20.4 8.1 96.4 350 352 A F H < S+ 0 0 92 -4,-0.7 -2,-0.2 -5,-0.3 -1,-0.2 0.843 115.3 39.4 -73.3 -35.5 19.5 9.9 99.6 351 353 A Q H < S+ 0 0 0 -4,-1.7 2,-0.5 -25,-0.2 -2,-0.2 0.857 101.2 74.8 -85.0 -38.5 22.7 11.9 99.8 352 354 A I < - 0 0 5 -4,-1.6 2,-1.0 -5,-0.2 8,-0.0 -0.668 63.6-157.4 -83.3 125.7 23.3 12.7 96.1 353 355 A V >>> - 0 0 41 -2,-0.5 3,-2.4 6,-0.0 4,-2.4 -0.867 33.6-123.5 -99.6 97.1 21.1 15.4 94.8 354 356 A D B 345S+m 358 0C 84 -2,-1.0 5,-0.2 1,-0.3 -13,-0.0 -0.139 87.5 6.9 -48.7 124.8 21.3 14.5 91.2 355 357 A G T 345S+ 0 0 43 3,-2.7 -1,-0.3 1,-0.1 4,-0.1 0.312 129.4 59.8 86.2 -9.7 22.5 17.3 88.9 356 358 A E T <45S+ 0 0 111 -3,-2.4 31,-0.2 2,-0.5 32,-0.2 0.775 120.1 9.4-114.4 -49.7 23.2 19.5 91.9 357 359 A T T <5S- 0 0 7 -4,-2.4 -17,-0.8 1,-0.4 2,-0.3 0.469 131.0 -43.0-111.5 -9.2 25.8 17.9 94.2 358 360 A G E S- 0 0 59 1,-0.1 4,-0.9 -117,-0.0 -1,-0.1 -0.754 80.2 -92.2-141.1-171.9 25.1 2.2 84.3 364 366 A A H > S+ 0 0 8 -2,-0.2 4,-2.1 2,-0.2 5,-0.1 0.869 117.3 53.4 -75.8 -43.1 28.8 2.5 83.6 365 367 A N H > S+ 0 0 93 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.887 108.4 50.7 -62.7 -36.2 28.6 4.3 80.2 366 368 A E H > S+ 0 0 59 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.860 110.5 51.4 -67.3 -33.2 26.3 7.0 81.8 367 369 A A H X S+ 0 0 0 -4,-0.9 4,-1.9 1,-0.2 -2,-0.2 0.840 106.3 54.1 -71.0 -34.3 29.0 7.3 84.5 368 370 A V H X S+ 0 0 14 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.912 105.2 53.5 -65.1 -42.0 31.6 7.7 81.8 369 371 A E H X S+ 0 0 131 -4,-2.0 4,-2.5 1,-0.2 3,-0.3 0.951 112.6 43.1 -55.8 -54.4 29.7 10.6 80.3 370 372 A V H X S+ 0 0 8 -4,-1.7 4,-2.2 1,-0.2 5,-0.3 0.785 107.5 58.3 -66.2 -30.9 29.6 12.4 83.5 371 373 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.881 112.7 42.3 -67.8 -33.0 33.2 11.7 84.5 372 374 A L H X S+ 0 0 38 -4,-1.8 4,-2.7 -3,-0.3 5,-0.2 0.895 111.9 54.2 -76.8 -42.7 34.2 13.5 81.3 373 375 A Y H >X S+ 0 0 101 -4,-2.5 4,-2.6 -5,-0.2 3,-0.8 0.986 115.2 39.4 -51.2 -69.6 31.7 16.3 81.7 374 376 A L H 3< S+ 0 0 2 -4,-2.2 7,-0.3 1,-0.3 -2,-0.2 0.896 116.0 50.5 -45.5 -53.5 33.0 17.1 85.2 375 377 A L H 3< S+ 0 0 38 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.852 114.4 46.7 -58.6 -30.4 36.6 16.6 84.2 376 378 A K H << S+ 0 0 161 -4,-2.7 -2,-0.2 -3,-0.8 -1,-0.2 0.861 116.9 43.0 -79.5 -34.6 36.0 18.8 81.2 377 379 A H >X + 0 0 66 -4,-2.6 4,-2.2 -5,-0.2 3,-1.2 -0.588 63.6 171.9-114.1 71.0 34.2 21.5 83.2 378 380 A P H 3> S+ 0 0 73 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.789 78.5 56.3 -47.4 -36.2 36.2 22.0 86.5 379 381 A E H 3> S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.873 107.6 48.1 -67.1 -36.7 34.1 25.1 87.5 380 382 A V H <> S+ 0 0 38 -3,-1.2 4,-2.7 2,-0.2 5,-0.3 0.971 113.1 48.7 -64.9 -51.7 30.9 23.1 87.3 381 383 A S H X S+ 0 0 19 -4,-2.2 4,-2.5 -7,-0.3 -2,-0.2 0.914 108.7 53.7 -51.9 -47.0 32.6 20.4 89.3 382 384 A K H X S+ 0 0 125 -4,-3.1 4,-2.4 -5,-0.2 -1,-0.3 0.889 111.0 47.5 -55.9 -41.6 33.7 23.1 91.8 383 385 A E H X S+ 0 0 111 -4,-2.1 4,-2.4 -3,-0.2 5,-0.3 0.976 110.5 47.8 -64.8 -57.6 30.1 24.2 92.1 384 386 A M H X S+ 0 0 10 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.873 113.3 52.9 -51.0 -37.6 28.6 20.7 92.6 385 387 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 -48,-0.3 0.945 106.3 50.2 -64.4 -48.3 31.3 20.2 95.1 386 388 A A H X S+ 0 0 50 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.885 113.8 45.7 -57.7 -42.0 30.5 23.4 97.1 387 389 A K H X S+ 0 0 100 -4,-2.4 4,-2.8 -31,-0.2 -1,-0.2 0.885 109.7 54.2 -69.4 -39.1 26.9 22.4 97.3 388 390 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.3 -2,-0.2 0.890 107.8 51.9 -61.8 -37.1 27.7 18.9 98.2 389 391 A K H X S+ 0 0 59 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.934 110.1 47.6 -66.1 -44.7 29.8 20.3 101.1 390 392 A E H X S+ 0 0 86 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.927 104.8 58.9 -61.8 -45.7 26.9 22.4 102.3 391 393 A R H X S+ 0 0 63 -4,-2.8 4,-1.1 1,-0.2 5,-0.3 0.888 111.1 43.6 -50.6 -40.4 24.4 19.6 102.2 392 394 A V H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 5,-0.5 0.931 109.2 54.5 -72.3 -45.7 26.6 17.7 104.6 393 395 A R H < S+ 0 0 57 -4,-2.3 4,-0.3 1,-0.3 -2,-0.2 0.908 118.7 37.5 -53.7 -40.7 27.3 20.7 106.8 394 396 A K H < S+ 0 0 132 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.633 134.4 17.5 -89.1 -12.1 23.5 21.1 107.1 395 397 A N H < S+ 0 0 49 -4,-1.1 -3,-0.2 -3,-0.4 -2,-0.2 0.739 123.6 33.2-128.7 -36.8 22.5 17.4 107.2 396 398 A F S < S+ 0 0 0 -4,-1.6 -195,-2.4 -5,-0.3 2,-0.2 0.001 77.3 117.9-122.2 33.3 25.2 14.8 108.0 397 399 A I B > S-g 201 0B 0 -5,-0.5 4,-1.4 -4,-0.3 3,-0.4 -0.615 73.7-113.7 -93.0 155.3 27.7 16.4 110.4 398 400 A I H > S+ 0 0 0 -197,-1.3 4,-2.1 1,-0.2 -196,-0.1 0.739 117.5 55.0 -62.2 -22.7 28.1 14.9 113.9 399 401 A T H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.866 107.6 47.9 -78.0 -34.4 26.6 18.1 115.5 400 402 A K H > S+ 0 0 40 -3,-0.4 4,-1.4 2,-0.2 -2,-0.2 0.742 109.9 56.8 -72.9 -22.7 23.5 17.7 113.4 401 403 A H H X S+ 0 0 6 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.971 108.6 43.3 -68.8 -55.9 23.6 14.1 114.5 402 404 A M H >X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 3,-0.7 0.944 110.3 55.6 -54.3 -53.4 23.5 15.1 118.2 403 405 A E H 3X S+ 0 0 3 -4,-2.6 4,-2.9 1,-0.3 -1,-0.2 0.887 105.4 54.6 -48.6 -40.9 20.9 17.7 117.6 404 406 A R H 3X S+ 0 0 48 -4,-1.4 4,-1.2 1,-0.2 -1,-0.3 0.884 106.5 50.3 -61.6 -39.3 18.8 14.9 116.1 405 407 A Y H XX S+ 0 0 2 -4,-1.6 4,-1.7 -3,-0.7 3,-1.0 0.957 108.7 52.0 -64.0 -47.6 19.2 12.9 119.3 406 408 A L H >X S+ 0 0 1 -4,-2.6 4,-1.4 1,-0.3 3,-1.3 0.966 103.7 57.1 -51.1 -56.7 18.1 15.9 121.3 407 409 A D H 3< S+ 0 0 70 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.812 108.5 50.4 -42.4 -34.1 15.0 16.2 119.1 408 410 A I H X< S+ 0 0 13 -4,-1.2 3,-1.0 -3,-1.0 -1,-0.3 0.817 106.6 50.2 -77.5 -33.6 14.3 12.6 120.2 409 411 A L H << S+ 0 0 6 -4,-1.7 3,-0.4 -3,-1.3 -1,-0.2 0.577 106.0 59.1 -82.0 -8.2 14.7 13.2 123.9 410 412 A N T 3< S+ 0 0 71 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.057 102.2 56.4-103.4 21.8 12.3 16.1 123.7 411 413 A S < 0 0 60 -3,-1.0 -1,-0.2 -5,-0.2 -2,-0.1 0.030 360.0 360.0-140.7 27.8 9.6 13.8 122.3 412 414 A L 0 0 85 -3,-0.4 -2,-0.1 -265,-0.0 -3,-0.1 0.789 360.0 360.0-113.4 360.0 9.3 11.2 125.0 413 !* 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 0.0 414 3 B M 0 0 3 0, 0.0 2,-0.3 0, 0.0 75,-0.2 0.000 360.0 360.0 360.0 101.3 63.4 48.9 131.8 415 4 B Y - 0 0 95 73,-0.4 73,-2.8 117,-0.0 2,-0.5 -0.781 360.0-120.2-106.3 149.9 60.8 46.1 132.4 416 5 B E B -N 487 0D 46 -2,-0.3 2,-1.2 71,-0.2 71,-0.3 -0.774 18.1-131.9 -93.3 123.9 61.2 42.4 131.9 417 6 B V + 0 0 7 69,-2.9 69,-0.4 -2,-0.5 -1,-0.0 -0.584 37.5 161.9 -74.1 96.4 59.0 40.5 129.4 418 7 B K + 0 0 159 -2,-1.2 2,-0.4 67,-0.1 -1,-0.2 0.789 58.2 71.1 -84.9 -31.7 57.8 37.5 131.4 419 8 B E - 0 0 160 -3,-0.2 2,-0.5 2,-0.0 52,-0.0 -0.708 67.8-160.4 -89.9 135.8 54.9 36.8 129.1 420 9 B F - 0 0 35 -2,-0.4 3,-0.1 1,-0.1 5,-0.1 -0.950 12.6-159.2-123.2 115.4 55.5 35.4 125.6 421 10 B S S S+ 0 0 90 -2,-0.5 2,-2.9 1,-0.3 -1,-0.1 0.880 90.9 66.7 -55.6 -43.8 53.0 35.7 122.8 422 11 B S S > S- 0 0 24 1,-0.2 3,-1.9 49,-0.2 -1,-0.3 -0.348 111.4-120.4 -77.0 59.9 54.5 32.8 120.9 423 12 B G T 3 - 0 0 46 -2,-2.9 -1,-0.2 1,-0.2 -3,-0.1 0.022 60.0 -47.0 35.8-134.3 53.4 30.6 123.7 424 13 B K T 3 - 0 0 164 -3,-0.1 -1,-0.2 51,-0.1 48,-0.1 -0.433 68.8-153.2-122.5 54.9 56.5 28.9 125.2 425 14 B R < - 0 0 51 -3,-1.9 54,-0.4 46,-0.3 2,-0.3 0.066 14.7-163.3 -30.4 126.1 58.2 27.8 122.0 426 15 B K > - 0 0 97 1,-0.1 3,-1.7 52,-0.1 4,-0.3 -0.898 33.5-118.0-120.1 149.6 60.3 24.7 122.8 427 16 B L G > S+ 0 0 4 -2,-0.3 3,-2.0 49,-0.3 4,-0.1 0.905 117.8 62.9 -49.2 -39.5 63.1 23.2 120.8 428 17 B E G > S+ 0 0 93 1,-0.3 3,-2.2 2,-0.2 4,-0.4 0.810 85.9 70.7 -55.0 -34.9 60.8 20.2 120.8 429 18 B D G < S+ 0 0 65 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.557 104.6 42.5 -62.7 -5.5 58.2 22.1 118.8 430 19 B Y G X> S+ 0 0 0 -3,-2.0 4,-2.7 -4,-0.3 3,-0.6 0.239 78.9 105.5-121.8 8.3 60.5 21.9 115.8 431 20 B K H <> S+ 0 0 51 -3,-2.2 4,-2.1 1,-0.3 -2,-0.1 0.938 82.9 51.5 -55.1 -44.7 61.6 18.3 116.2 432 21 B S H 34 S+ 0 0 122 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.793 114.7 44.7 -61.0 -29.9 59.4 17.4 113.2 433 22 B I H <4 S+ 0 0 29 -3,-0.6 -2,-0.2 1,-0.1 -1,-0.2 0.907 124.4 24.8 -84.1 -47.8 61.0 20.2 111.2 434 23 B I H < S- 0 0 22 -4,-2.7 4,-0.4 1,-0.1 -2,-0.2 0.525 103.0-120.7 -99.5 -6.8 64.8 19.9 111.9 435 24 B G X - 0 0 32 -4,-2.1 4,-1.6 -5,-0.4 -1,-0.1 0.104 26.3 -86.8 84.6 157.1 65.1 16.2 112.8 436 25 B E H > S+ 0 0 130 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.839 120.1 61.3 -73.4 -36.4 66.5 14.7 116.0 437 26 B E H > S+ 0 0 180 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.961 113.5 40.0 -54.9 -46.4 70.2 14.6 115.2 438 27 B E H > S+ 0 0 53 -4,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.844 110.1 56.8 -70.1 -37.3 70.0 18.4 114.9 439 28 B V H X S+ 0 0 1 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.891 114.3 42.8 -61.1 -36.5 67.7 18.8 117.9 440 29 B S H X S+ 0 0 61 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.976 106.8 56.8 -71.0 -58.1 70.4 17.0 119.8 441 30 B K H X S+ 0 0 80 -4,-3.1 4,-1.4 -5,-0.2 -1,-0.2 0.786 112.2 47.8 -44.4 -29.3 73.3 18.8 118.3 442 31 B I H X S+ 0 0 1 -4,-1.6 4,-1.0 2,-0.2 -2,-0.2 0.986 109.3 48.8 -75.0 -64.0 71.5 21.9 119.6 443 32 B Q H < S+ 0 0 82 -4,-2.3 4,-0.3 1,-0.2 3,-0.3 0.771 110.1 55.3 -44.2 -37.7 70.8 20.5 123.1 444 33 B E H >X S+ 0 0 124 -4,-3.0 3,-2.7 1,-0.2 4,-1.0 0.983 105.2 48.4 -62.5 -59.9 74.5 19.5 123.4 445 34 B K H 3< S+ 0 0 50 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.624 110.9 55.6 -56.9 -12.8 75.9 22.9 122.6 446 35 B A T 3< S+ 0 0 0 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.480 93.5 67.3 -98.9 -6.9 73.5 24.3 125.2 447 36 B E T X4 S+ 0 0 105 -3,-2.7 3,-2.8 -4,-0.3 -2,-0.2 0.916 93.0 58.0 -76.9 -45.5 74.7 22.0 128.0 448 37 B K T 3< S+ 0 0 147 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.642 113.5 42.4 -58.8 -13.7 78.1 23.7 128.2 449 38 B L T > S+ 0 0 4 -3,-0.1 3,-1.5 3,-0.1 -1,-0.3 0.085 84.8 146.0-120.2 20.2 76.1 26.9 128.9 450 39 B K T < + 0 0 148 -3,-2.8 32,-0.2 1,-0.2 3,-0.1 -0.361 69.9 10.2 -64.0 132.8 73.5 25.4 131.3 451 40 B G T 3 S+ 0 0 56 30,-2.9 -1,-0.2 1,-0.2 31,-0.2 0.494 95.7 139.5 79.0 4.2 72.3 27.7 134.0 452 41 B R < - 0 0 100 -3,-1.5 31,-1.4 29,-0.3 2,-0.6 -0.307 56.7-113.2 -78.7 163.6 73.9 30.7 132.5 453 42 B S E +o 483 0D 13 29,-0.1 87,-1.6 -3,-0.1 2,-0.4 -0.881 35.2 172.5-101.1 121.4 72.4 34.2 132.3 454 43 B F E -op 484 540D 1 29,-1.3 31,-2.0 -2,-0.6 2,-0.3 -0.825 10.8-178.0-131.5 91.4 71.5 35.4 128.7 455 44 B V E -op 485 541D 0 85,-2.4 87,-3.0 -2,-0.4 2,-0.4 -0.712 13.3-157.0 -98.5 146.0 69.6 38.7 128.7 456 45 B H E -op 486 542D 0 29,-2.5 31,-3.0 -2,-0.3 2,-0.4 -0.966 8.1-169.1-120.1 129.0 68.2 40.6 125.7 457 46 B V E +op 487 543D 0 85,-2.4 87,-3.1 -2,-0.4 2,-0.2 -0.956 20.2 139.8-120.8 138.2 67.5 44.3 125.8 458 47 B N E -o 488 0D 8 29,-1.3 31,-1.5 -2,-0.4 87,-0.1 -0.889 56.4 -89.1-157.1-171.8 65.6 46.3 123.2 459 48 B S S S- 0 0 8 -2,-0.2 2,-0.2 29,-0.2 29,-0.1 0.269 93.3 -3.9 -97.3 11.3 63.1 49.1 122.4 460 49 B T - 0 0 44 27,-0.1 -1,-0.2 2,-0.1 30,-0.0 -0.783 37.7-147.2 167.8 148.5 59.7 47.2 122.3 461 50 B S S S+ 0 0 15 -2,-0.2 3,-0.1 -3,-0.1 10,-0.1 0.326 94.9 49.8-108.5 4.4 58.0 43.8 122.6 462 51 B F S S+ 0 0 159 1,-0.3 6,-0.2 6,-0.0 -2,-0.1 0.694 98.2 40.7-104.8 -96.2 55.2 44.8 120.2 463 52 B G S S+ 0 0 53 4,-0.1 -1,-0.3 3,-0.0 4,-0.2 -0.288 93.4 47.5 -60.9 139.5 55.9 46.4 116.8 464 53 B G S > S- 0 0 54 2,-0.1 4,-1.2 3,-0.1 -4,-0.0 -0.326 77.8-102.9 116.9 161.4 58.8 45.0 114.8 465 54 B G H > S+ 0 0 46 2,-0.2 4,-3.4 3,-0.1 5,-0.2 0.865 117.1 58.6 -86.6 -43.4 60.4 41.8 113.6 466 55 B V H > S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.895 108.7 48.1 -51.1 -42.0 63.2 41.8 116.2 467 56 B A H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.960 111.7 48.2 -63.2 -50.9 60.4 41.8 118.8 468 57 B E H < S+ 0 0 96 -4,-1.2 4,-0.5 1,-0.2 -2,-0.2 0.857 109.9 53.9 -58.1 -36.7 58.6 39.0 117.0 469 58 B I H >X S+ 0 0 40 -4,-3.4 4,-3.5 1,-0.2 3,-0.9 0.900 107.6 49.5 -65.2 -42.8 61.9 37.1 116.9 470 59 B L H 3X S+ 0 0 2 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.913 99.3 64.3 -63.0 -46.6 62.5 37.4 120.6 471 60 B H H 3< S+ 0 0 25 -4,-2.1 -46,-0.3 1,-0.2 -1,-0.2 0.699 119.1 28.4 -50.7 -21.2 59.0 36.2 121.5 472 61 B S H <> S+ 0 0 0 -3,-0.9 4,-1.8 -4,-0.5 -2,-0.2 0.775 120.4 53.2-105.8 -46.2 60.1 32.9 120.0 473 62 B L H X S+ 0 0 1 -4,-3.5 4,-2.4 2,-0.2 -3,-0.2 0.860 106.3 50.4 -59.6 -44.4 63.8 33.0 120.6 474 63 B V H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 10,-0.2 0.976 108.9 49.8 -62.3 -57.1 63.8 33.6 124.3 475 64 B P H > S+ 0 0 5 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.905 111.8 52.2 -46.7 -45.7 61.4 30.7 125.2 476 65 B L H < S+ 0 0 0 -4,-1.8 4,-0.4 1,-0.2 -49,-0.3 0.964 109.1 46.2 -56.0 -58.4 63.6 28.5 123.0 477 66 B L H ><>S+ 0 0 0 -4,-2.4 5,-1.9 1,-0.2 3,-1.2 0.891 112.9 53.8 -51.0 -41.9 66.8 29.4 124.8 478 67 B R H ><5S+ 0 0 96 -4,-2.9 3,-2.0 1,-0.3 4,-0.3 0.981 106.2 49.7 -56.7 -61.2 64.9 28.9 128.1 479 68 B S T 3<5S+ 0 0 62 -4,-2.9 -1,-0.3 -54,-0.4 -2,-0.2 0.384 105.7 60.3 -62.7 4.8 63.7 25.4 127.2 480 69 B I T < 5S- 0 0 15 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.329 127.1 -84.4-115.9 7.8 67.2 24.3 126.3 481 70 B G T < 5S+ 0 0 34 -3,-2.0 -30,-2.9 1,-0.2 2,-0.5 0.433 92.1 116.2 108.5 -0.1 69.0 25.0 129.6 482 71 B I < - 0 0 4 -5,-1.9 2,-3.3 -4,-0.3 -1,-0.2 -0.907 64.9-133.6-109.9 123.4 69.8 28.7 129.4 483 72 B E E + o 0 453D 93 -31,-1.4 -29,-1.3 -2,-0.5 2,-0.2 -0.341 40.6 178.8 -69.3 66.1 68.2 31.2 131.8 484 73 B A E - o 0 454D 0 -2,-3.3 2,-0.3 -10,-0.2 -29,-0.2 -0.492 3.2-179.7 -73.1 139.7 67.4 33.5 128.9 485 74 B R E - o 0 455D 64 -31,-2.0 -29,-2.5 -2,-0.2 2,-0.5 -0.995 15.8-147.2-142.9 147.1 65.6 36.7 129.9 486 75 B W E - o 0 456D 0 -69,-0.4 -69,-2.9 -2,-0.3 2,-0.3 -0.958 13.4-178.5-125.4 122.4 64.3 39.7 128.0 487 76 B F E -No 416 457D 3 -31,-3.0 -29,-1.3 -2,-0.5 -71,-0.2 -0.879 10.4-153.7-115.6 148.0 64.1 43.4 129.1 488 77 B V E - o 0 458D 0 -73,-2.8 2,-0.4 -2,-0.3 -73,-0.4 -0.670 17.1-113.3-115.5 169.3 62.7 46.4 127.2 489 78 B I - 0 0 7 -31,-1.5 2,-0.3 -2,-0.2 37,-0.1 -0.890 21.9-151.5-109.0 134.8 63.4 50.1 127.3 490 79 B E + 0 0 85 -2,-0.4 39,-0.2 35,-0.2 -30,-0.0 -0.755 29.4 143.7-101.3 147.5 60.8 52.7 128.4 491 80 B G - 0 0 41 -2,-0.3 2,-0.1 -32,-0.1 5,-0.0 -0.964 45.2 -95.7-177.3 159.3 60.7 56.2 127.1 492 81 B P >> - 0 0 67 0, 0.0 3,-3.0 0, 0.0 4,-1.0 -0.438 47.8-102.1 -80.4 158.4 58.7 59.4 126.0 493 82 B T H >> S+ 0 0 101 1,-0.3 4,-2.5 2,-0.2 3,-0.7 0.868 120.9 65.2 -46.6 -44.0 57.9 60.0 122.3 494 83 B E H 3> S+ 0 0 139 1,-0.3 4,-0.6 2,-0.2 -1,-0.3 0.698 100.9 52.9 -54.8 -19.4 60.7 62.6 122.2 495 84 B F H <> S+ 0 0 0 -3,-3.0 4,-1.6 2,-0.2 -1,-0.3 0.839 111.4 42.2 -85.5 -36.7 63.1 59.7 122.7 496 85 B F H < S+ 0 0 0 -4,-3.2 68,-2.6 -5,-0.2 3,-0.6 0.919 106.3 49.6 -72.8 -45.1 70.9 58.6 110.0 506 95 B L H 3< S+ 0 0 3 -4,-3.0 2,-0.7 1,-0.3 65,-0.2 0.791 108.4 57.6 -62.8 -28.8 72.8 55.4 110.5 507 96 B Q T 3< S- 0 0 74 -4,-1.6 -1,-0.3 -5,-0.2 2,-0.2 -0.456 126.4 -90.3 -99.4 57.8 71.2 54.1 107.3 508 97 B G S < S+ 0 0 14 -2,-0.7 65,-0.4 -3,-0.6 -1,-0.2 -0.466 79.0 130.0 74.9-141.0 72.5 56.9 105.2 509 98 B N > - 0 0 92 1,-0.2 3,-1.0 -2,-0.2 2,-0.2 0.978 35.5-171.3 50.5 69.2 70.3 60.1 104.8 510 99 B E T 3 + 0 0 124 1,-0.3 -1,-0.2 62,-0.1 -5,-0.1 0.010 66.8 87.7 -83.7 33.1 73.2 62.4 105.6 511 100 B S T 3 + 0 0 113 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.312 66.8 102.0-107.9 3.0 70.8 65.3 105.8 512 101 B L < - 0 0 40 -3,-1.0 2,-0.5 -11,-0.1 63,-0.1 -0.651 62.2-145.0 -91.3 145.9 70.1 64.7 109.4 513 102 B K - 0 0 160 -2,-0.3 2,-0.8 62,-0.1 -2,-0.0 -0.941 2.2-147.5-116.2 125.7 71.7 66.8 112.2 514 103 B L - 0 0 21 -2,-0.5 2,-0.1 4,-0.0 -2,-0.0 -0.802 25.6-177.2 -95.6 111.0 72.7 65.4 115.6 515 104 B T > - 0 0 61 -2,-0.8 4,-1.9 1,-0.1 5,-0.1 -0.419 38.5-111.7 -99.0 174.8 72.3 68.0 118.3 516 105 B E H > S+ 0 0 106 2,-0.2 4,-3.4 1,-0.2 5,-0.4 0.890 115.3 62.8 -73.2 -40.7 73.0 68.0 122.0 517 106 B E H > S+ 0 0 154 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.844 109.5 46.4 -52.1 -30.8 69.3 68.1 123.0 518 107 B M H > S+ 0 0 32 2,-0.2 4,-3.2 3,-0.2 -2,-0.2 0.941 111.8 45.4 -78.0 -51.4 69.3 64.7 121.3 519 108 B K H X S+ 0 0 57 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.893 114.9 50.7 -59.9 -40.5 72.5 63.2 122.8 520 109 B E H X S+ 0 0 116 -4,-3.4 4,-3.0 2,-0.2 5,-0.2 0.971 113.4 44.0 -61.1 -53.5 71.3 64.4 126.2 521 110 B L H X S+ 0 0 41 -4,-1.6 4,-2.7 -5,-0.4 5,-0.3 0.969 116.9 46.6 -54.4 -57.5 67.9 62.9 125.8 522 111 B Y H X S+ 0 0 0 -4,-3.2 4,-1.6 1,-0.2 -2,-0.2 0.941 116.4 43.1 -49.7 -58.2 69.3 59.6 124.4 523 112 B L H X S+ 0 0 38 -4,-3.2 4,-1.5 -5,-0.2 -1,-0.2 0.861 114.2 50.9 -60.2 -38.4 72.0 59.3 127.1 524 113 B N H >X S+ 0 0 67 -4,-3.0 4,-2.3 -5,-0.3 3,-0.9 0.978 106.3 52.3 -64.7 -55.1 69.6 60.2 129.9 525 114 B V H 3X S+ 0 0 13 -4,-2.7 4,-1.9 1,-0.3 -1,-0.2 0.856 111.3 51.1 -48.5 -35.0 66.9 57.7 128.9 526 115 B N H 3< S+ 0 0 2 -4,-1.6 4,-0.3 -5,-0.3 -1,-0.3 0.831 107.7 51.2 -72.5 -33.7 69.7 55.2 129.0 527 116 B R H XX S+ 0 0 94 -4,-1.5 3,-1.1 -3,-0.9 4,-0.7 0.969 111.9 45.8 -67.1 -54.4 70.9 56.2 132.4 528 117 B E H >< S+ 0 0 94 -4,-2.3 3,-1.8 1,-0.3 4,-0.3 0.940 111.2 49.8 -54.1 -57.2 67.4 55.9 134.0 529 118 B N T 3X S+ 0 0 6 -4,-1.9 4,-0.6 1,-0.3 3,-0.4 0.616 105.3 63.0 -61.4 -9.1 66.5 52.6 132.5 530 119 B S T <4 S+ 0 0 8 -3,-1.1 -1,-0.3 -4,-0.3 5,-0.2 0.708 93.0 60.4 -88.6 -20.0 69.8 51.3 133.7 531 120 B K T << S+ 0 0 137 -3,-1.8 -1,-0.2 -4,-0.7 -2,-0.2 0.396 95.1 64.7 -87.4 2.9 69.1 51.8 137.4 532 121 B F T 4 S+ 0 0 119 -3,-0.4 2,-0.4 1,-0.3 -1,-0.2 0.890 111.4 20.1 -90.6 -46.8 66.1 49.4 137.4 533 122 B I S < S- 0 0 42 -4,-0.6 2,-0.8 -118,-0.0 -1,-0.3 -0.969 75.4-129.4-131.4 120.5 67.9 46.1 136.6 534 123 B D + 0 0 69 -2,-0.4 3,-0.5 1,-0.2 4,-0.2 -0.522 26.7 178.1 -68.9 107.2 71.5 45.4 137.0 535 124 B L S > S+ 0 0 0 -2,-0.8 3,-1.7 -5,-0.2 -1,-0.2 0.787 70.6 71.5 -80.7 -29.8 72.7 43.9 133.7 536 125 B S T 3 S+ 0 0 3 1,-0.3 -1,-0.2 21,-0.1 22,-0.2 0.686 87.5 69.5 -61.2 -15.7 76.3 43.5 134.7 537 126 B S T 3 S+ 0 0 63 -3,-0.5 -1,-0.3 21,-0.1 2,-0.2 0.738 81.2 90.4 -74.7 -24.3 75.2 40.6 136.9 538 127 B F S < S- 0 0 12 -3,-1.7 20,-0.2 -4,-0.2 3,-0.1 -0.504 80.3-127.9 -79.7 142.2 74.3 38.3 134.0 539 128 B D S S+ 0 0 56 -2,-0.2 2,-0.3 1,-0.2 -85,-0.2 0.791 96.5 16.3 -56.0 -30.2 76.7 35.9 132.4 540 129 B Y E -p 454 0D 15 -87,-1.6 -85,-2.4 19,-0.2 2,-0.4 -0.971 66.3-165.3-150.3 132.9 75.9 37.3 129.0 541 130 B V E -pq 455 561D 0 19,-1.8 21,-3.2 -2,-0.3 2,-0.5 -0.964 2.4-169.5-123.1 130.6 74.2 40.5 127.8 542 131 B L E -pq 456 562D 0 -87,-3.0 -85,-2.4 -2,-0.4 2,-0.5 -0.967 5.0-162.8-119.0 129.9 72.8 41.2 124.3 543 132 B V E -pq 457 563D 0 19,-2.8 21,-2.9 -2,-0.5 2,-0.6 -0.956 10.4-145.2-115.9 126.9 71.7 44.7 123.3 544 133 B H E - q 0 564D 5 -87,-3.1 -85,-0.2 -2,-0.5 21,-0.2 -0.827 52.9 -32.7 -99.3 120.4 69.5 45.1 120.2 545 134 B D S S- 0 0 21 19,-2.8 4,-0.1 -2,-0.6 19,-0.1 0.335 88.9 -54.9 60.5 166.5 69.8 48.2 118.0 546 135 B P S > S+ 0 0 4 0, 0.0 3,-3.4 0, 0.0 4,-0.5 0.808 113.3 72.9 -36.9 -62.4 70.8 51.8 118.8 547 136 B Q T 3 S+ 0 0 33 1,-0.3 3,-0.3 2,-0.1 -2,-0.1 0.753 109.6 30.8 -31.4 -51.9 68.3 52.9 121.5 548 137 B P T > S+ 0 0 0 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.223 88.1 104.6 -99.8 17.5 69.9 50.9 124.3 549 138 B A G X S+ 0 0 0 -3,-3.4 3,-1.4 1,-0.2 -2,-0.1 0.927 74.2 60.9 -60.9 -44.2 73.5 51.0 123.0 550 139 B A G > S+ 0 0 0 -4,-0.5 3,-2.3 -3,-0.3 -1,-0.2 0.745 80.8 85.7 -55.6 -27.9 74.5 53.5 125.7 551 140 B L G X S+ 0 0 0 -3,-0.7 3,-1.8 1,-0.3 -1,-0.3 0.839 70.9 77.2 -42.1 -43.4 73.6 51.1 128.5 552 141 B I G < S+ 0 0 6 -3,-1.4 3,-0.4 -4,-0.4 -1,-0.3 0.603 90.7 53.4 -48.8 -17.8 77.0 49.5 128.3 553 142 B E G < S+ 0 0 85 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.1 -0.035 92.1 72.5-112.0 35.6 78.6 52.4 130.2 554 143 B F S < S+ 0 0 57 -3,-1.8 2,-0.3 1,-0.1 -1,-0.2 -0.004 97.9 43.5-131.0 24.6 76.3 52.4 133.2 555 144 B Y S S- 0 0 36 -3,-0.4 2,-0.7 -20,-0.1 -1,-0.1 -0.958 87.7-106.1-160.3 156.0 77.6 49.2 134.9 556 145 B E - 0 0 164 -2,-0.3 -3,-0.1 -3,-0.1 -4,-0.0 -0.831 46.3-115.9 -92.2 116.5 81.1 47.7 135.5 557 146 B K + 0 0 78 -2,-0.7 -21,-0.1 -5,-0.2 -20,-0.1 -0.225 48.5 156.8 -53.5 134.8 81.5 44.9 133.0 558 147 B K + 0 0 135 1,-0.3 -1,-0.2 -22,-0.2 -21,-0.1 0.388 70.0 30.2-131.9 -17.9 81.8 41.5 134.7 559 148 B S S S- 0 0 16 -21,-0.0 -1,-0.3 -23,-0.0 -19,-0.2 -0.869 99.8 -72.9-138.5 168.2 80.7 39.5 131.7 560 149 B P - 0 0 29 0, 0.0 -19,-1.8 0, 0.0 2,-0.4 -0.374 41.7-151.9 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