==== 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 BIOSYNTHETIC PROTEIN 19-FEB-10 2X6Q . COMPND 2 MOLECULE: TREHALOSE-SYNTHASE TRET; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.-N.SONG,T.-Y.JUNG,S.-M.YOON,M.-Y.LIM,S.-B.LEE,E.-J.WOO . 817 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36675.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 616 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 106 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 56 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 121 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 301 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.5 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 0 0 2 0 2 0 4 2 0 4 8 0 1 3 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 . 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 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 2 A K 0 0 138 0, 0.0 74,-0.1 0, 0.0 112,-0.1 0.000 360.0 360.0 360.0 28.2 33.1 -8.5 131.3 2 3 A M - 0 0 5 72,-0.2 2,-0.3 110,-0.1 71,-0.2 -0.356 360.0-173.6 -66.7 136.6 31.5 -5.1 130.4 3 4 A Y E -A 72 0A 69 69,-2.3 69,-3.2 -2,-0.1 2,-0.4 -0.959 23.8-123.6-134.0 151.6 33.6 -1.9 130.6 4 5 A E E -A 71 0A 77 -2,-0.3 2,-0.5 67,-0.3 67,-0.3 -0.736 33.8-119.1 -90.6 137.3 32.9 1.8 130.2 5 6 A V 0 0 16 65,-2.3 65,-0.3 -2,-0.4 -1,-0.0 -0.686 360.0 360.0 -86.9 129.7 35.1 3.5 127.6 6 7 A K 0 0 185 -2,-0.5 -1,-0.1 0, 0.0 -2,-0.0 -0.210 360.0 360.0 -57.7 360.0 37.4 6.3 128.8 7 ! 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 8 13 A K 0 0 209 0, 0.0 2,-0.2 0, 0.0 48,-0.1 0.000 360.0 360.0 360.0 -5.9 37.6 16.0 124.2 9 14 A R - 0 0 67 46,-0.3 2,-0.3 3,-0.1 54,-0.3 -0.419 360.0-176.7 -63.2 124.4 35.1 16.9 121.4 10 15 A K >> - 0 0 99 -2,-0.2 3,-2.2 1,-0.1 4,-0.5 -0.935 40.2-116.7-124.1 147.1 33.0 20.0 122.5 11 16 A L G >4 S+ 0 0 7 49,-0.4 3,-1.4 -2,-0.3 4,-0.5 0.817 115.1 67.0 -52.0 -28.2 30.2 21.6 120.6 12 17 A E G >4 S+ 0 0 111 1,-0.3 3,-1.3 2,-0.2 4,-0.5 0.851 87.3 66.6 -61.4 -34.0 32.4 24.7 120.5 13 18 A D G <4 S+ 0 0 65 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.723 105.3 43.4 -59.7 -23.0 34.9 22.8 118.2 14 19 A Y G XX S+ 0 0 0 -3,-1.4 4,-2.8 -4,-0.5 3,-1.1 0.458 83.2 98.2-103.1 -3.3 32.2 22.8 115.4 15 20 A K H <> S+ 0 0 57 -3,-1.3 4,-2.9 -4,-0.5 -2,-0.1 0.910 83.0 52.5 -51.5 -46.3 31.0 26.4 115.8 16 21 A S H 34 S+ 0 0 114 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.799 115.1 43.7 -62.2 -26.4 33.2 27.5 112.9 17 22 A I H <4 S+ 0 0 31 -3,-1.1 -2,-0.2 -4,-0.1 -1,-0.2 0.896 126.9 25.0 -84.6 -44.2 31.7 24.8 110.8 18 23 A I H X S- 0 0 26 -4,-2.8 4,-0.5 1,-0.1 -3,-0.2 0.640 103.5-122.1 -98.8 -16.7 28.0 25.1 111.7 19 24 A G H X - 0 0 30 -4,-2.9 4,-2.0 -5,-0.4 5,-0.1 0.148 26.8 -83.3 90.2 150.7 27.6 28.7 112.8 20 25 A E H > S+ 0 0 88 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.865 124.0 58.3 -58.5 -40.8 26.4 30.3 116.1 21 26 A E H > S+ 0 0 173 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.952 108.4 44.2 -55.6 -53.0 22.7 30.0 115.1 22 27 A E H X S+ 0 0 39 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.899 112.7 54.6 -58.8 -40.6 22.9 26.2 114.7 23 28 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.894 109.6 45.6 -61.0 -42.3 24.9 26.0 117.9 24 29 A S H X S+ 0 0 51 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.931 110.3 53.5 -67.2 -45.9 22.2 27.9 119.9 25 30 A K H X S+ 0 0 87 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.900 113.0 45.1 -55.1 -41.5 19.4 25.8 118.3 26 31 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.944 113.0 48.2 -69.6 -47.9 21.3 22.7 119.5 27 32 A Q H X S+ 0 0 78 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.881 108.1 59.1 -58.3 -36.4 22.0 24.1 123.0 28 33 A E H >X S+ 0 0 122 -4,-3.1 4,-0.8 1,-0.2 3,-0.5 0.960 109.0 40.7 -55.8 -57.4 18.3 25.1 123.1 29 34 A K H 3< S+ 0 0 30 -4,-1.9 4,-0.3 1,-0.2 3,-0.3 0.829 112.9 56.5 -62.4 -33.4 17.1 21.5 122.7 30 35 A A H >< S+ 0 0 1 -4,-2.2 3,-1.7 1,-0.2 4,-0.3 0.813 92.8 71.5 -68.2 -31.0 19.9 20.3 125.0 31 36 A E H X< S+ 0 0 119 -4,-1.8 3,-2.1 -3,-0.5 -1,-0.2 0.919 91.3 56.3 -49.1 -53.4 18.6 22.6 127.7 32 37 A K T 3< S+ 0 0 133 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.610 112.2 43.4 -56.5 -16.9 15.5 20.5 128.3 33 38 A L T X S+ 0 0 3 -3,-1.7 3,-2.1 -4,-0.3 -1,-0.3 0.290 79.6 145.4-114.7 8.2 17.7 17.4 129.0 34 39 A K T < S+ 0 0 140 -3,-2.1 32,-0.2 -4,-0.3 31,-0.1 -0.162 73.1 10.3 -50.0 133.3 20.4 19.0 131.2 35 40 A G T 3 S+ 0 0 53 30,-2.8 -1,-0.3 1,-0.3 31,-0.1 0.171 95.0 130.3 82.7 -19.5 21.7 16.7 133.8 36 41 A R < - 0 0 106 -3,-2.1 31,-1.8 29,-0.1 2,-0.5 -0.426 59.1-121.1 -73.8 142.1 19.9 13.6 132.4 37 42 A S E -b 67 0A 14 29,-0.2 87,-1.6 -2,-0.1 2,-0.5 -0.718 27.7-177.6 -85.2 127.0 22.0 10.4 131.9 38 43 A F E -bc 68 124A 1 29,-1.5 31,-2.0 -2,-0.5 2,-0.4 -0.979 11.4-169.3-127.0 110.7 22.1 9.0 128.3 39 44 A V E -bc 69 125A 0 85,-2.4 87,-2.7 -2,-0.5 2,-0.4 -0.883 9.8-157.4-113.8 139.0 24.0 5.8 128.0 40 45 A H E -bc 70 126A 0 29,-2.5 31,-3.0 -2,-0.4 2,-0.4 -0.857 6.9-167.6-110.7 143.1 25.2 3.9 124.9 41 46 A V E +bc 71 127A 0 85,-1.7 87,-2.9 -2,-0.4 2,-0.2 -0.994 21.2 136.3-134.3 131.0 26.0 0.2 124.8 42 47 A N E -b 72 0A 9 29,-1.8 31,-2.8 -2,-0.4 3,-0.1 -0.775 55.5 -96.6-149.5-163.7 27.8 -1.8 122.0 43 48 A S S S+ 0 0 20 29,-0.2 2,-0.3 -2,-0.2 29,-0.1 0.381 92.3 28.3-109.9 1.3 30.4 -4.4 121.3 44 49 A T - 0 0 64 27,-0.1 -1,-0.2 1,-0.1 30,-0.0 -0.935 38.1-167.1-164.2 140.9 33.6 -2.5 120.6 45 50 A S S S+ 0 0 1 -2,-0.3 2,-0.2 -3,-0.1 -1,-0.1 0.276 74.8 85.8-106.3 9.3 35.3 0.8 121.3 46 51 A F S S+ 0 0 136 2,-0.0 5,-0.2 0, 0.0 6,-0.2 -0.700 73.3 15.0-112.7 161.0 37.9 0.2 118.5 47 52 A G S S- 0 0 62 -2,-0.2 -3,-0.0 4,-0.1 2,-0.0 -0.245 87.8 -58.2 79.2-167.5 38.0 0.8 114.8 48 53 A G S > S+ 0 0 50 3,-0.1 3,-0.8 4,-0.1 4,-0.4 0.084 91.8 53.7 -94.8-152.0 35.8 3.0 112.7 49 54 A G T 3> S- 0 0 52 1,-0.2 4,-2.1 2,-0.2 5,-0.2 -0.383 119.8 -1.0 64.8-133.2 32.1 3.2 112.1 50 55 A V H 3> S+ 0 0 41 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.930 135.6 51.9 -55.0 -53.5 29.9 3.4 115.2 51 56 A A H <> S+ 0 0 2 -3,-0.8 4,-2.1 -5,-0.2 -1,-0.2 0.922 109.1 51.5 -51.6 -48.1 32.8 3.2 117.7 52 57 A E H > S+ 0 0 47 -4,-0.4 4,-0.5 1,-0.2 -1,-0.2 0.924 111.9 46.4 -56.3 -47.7 34.5 6.1 115.9 53 58 A I H >X S+ 0 0 17 -4,-2.1 4,-3.3 1,-0.2 3,-1.6 0.926 109.4 53.8 -62.2 -45.3 31.4 8.2 116.0 54 59 A L H 3X S+ 0 0 3 -4,-2.9 4,-2.5 1,-0.3 -1,-0.2 0.868 97.5 65.1 -58.6 -37.4 30.8 7.5 119.7 55 60 A H H 3< S+ 0 0 76 -4,-2.1 -46,-0.3 -5,-0.2 -1,-0.3 0.748 117.7 27.6 -58.1 -22.6 34.3 8.6 120.6 56 61 A S H S+ 0 0 33 0, 0.0 4,-1.6 0, 0.0 -48,-0.2 0.858 115.0 56.8 -60.5 -32.0 32.1 14.0 124.8 60 65 A L H X S+ 0 0 0 -4,-1.8 4,-0.6 2,-0.2 -49,-0.4 0.891 107.2 45.7 -66.3 -40.5 30.0 16.1 122.4 61 66 A L H ><>S+ 0 0 0 -4,-2.2 5,-1.9 -3,-0.2 3,-1.3 0.915 110.5 53.7 -68.7 -43.1 26.8 15.4 124.4 62 67 A R H ><5S+ 0 0 109 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.826 100.9 61.8 -59.9 -32.8 28.5 16.0 127.7 63 68 A S H 3<5S+ 0 0 33 -4,-1.6 -1,-0.3 -54,-0.3 -2,-0.2 0.741 103.4 49.0 -67.3 -23.3 29.6 19.4 126.3 64 69 A I T <<5S- 0 0 20 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.202 130.7 -93.4-100.4 14.6 25.9 20.4 126.0 65 70 A G T < 5S+ 0 0 28 -3,-1.5 -30,-2.8 1,-0.2 2,-0.5 0.626 80.7 131.7 90.5 15.0 25.2 19.3 129.5 66 71 A I < - 0 0 4 -5,-1.9 2,-3.0 -32,-0.2 -1,-0.2 -0.881 60.5-126.3-107.2 131.7 24.0 15.7 129.1 67 72 A E E + b 0 37A 69 -31,-1.8 -29,-1.5 -2,-0.5 2,-0.4 -0.343 44.1 173.9 -71.5 64.9 25.3 12.9 131.3 68 73 A A E + b 0 38A 0 -2,-3.0 2,-0.3 -10,-0.3 -29,-0.2 -0.617 3.2 174.4 -79.2 127.9 26.3 10.7 128.3 69 74 A R E - b 0 39A 60 -31,-2.0 -29,-2.5 -2,-0.4 2,-0.4 -0.886 16.7-147.7-129.4 161.7 28.2 7.5 129.1 70 75 A W E - b 0 40A 7 -2,-0.3 -65,-2.3 -65,-0.3 2,-0.3 -0.978 11.6-176.5-140.0 126.7 29.3 4.6 127.0 71 76 A F E -Ab 4 41A 0 -31,-3.0 -29,-1.8 -2,-0.4 2,-0.4 -0.905 10.5-154.7-122.0 149.3 29.7 0.9 127.8 72 77 A V E -Ab 3 42A 1 -69,-3.2 -69,-2.3 -2,-0.3 -29,-0.2 -0.974 15.4-136.9-122.5 133.5 31.1 -2.0 125.7 73 78 A I - 0 0 2 -31,-2.8 2,-0.3 -2,-0.4 -71,-0.1 -0.551 18.8-155.2 -87.2 156.1 30.1 -5.6 126.4 74 79 A E + 0 0 78 -2,-0.2 39,-0.2 35,-0.2 -72,-0.2 -0.894 19.5 157.0-129.0 159.2 32.7 -8.3 126.3 75 80 A G - 0 0 15 -2,-0.3 5,-0.1 -74,-0.1 34,-0.0 -0.979 44.8 -74.2-169.5 168.2 32.5 -12.0 125.7 76 81 A P >> - 0 0 68 0, 0.0 4,-1.0 0, 0.0 3,-0.7 -0.223 53.0-102.8 -67.0 167.4 34.5 -15.1 124.5 77 82 A T H 3> S+ 0 0 112 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.830 122.2 63.5 -60.4 -31.4 35.4 -15.3 120.9 78 83 A E H 3> S+ 0 0 103 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.880 95.8 58.0 -60.9 -39.0 32.6 -17.9 120.5 79 84 A F H <> S+ 0 0 0 -3,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.873 108.9 45.2 -58.9 -39.3 30.0 -15.3 121.5 80 85 A F H X S+ 0 0 55 -4,-1.0 4,-1.5 -3,-0.3 -1,-0.2 0.768 107.1 56.4 -79.5 -24.3 31.1 -13.1 118.5 81 86 A N H X S+ 0 0 72 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.913 111.6 46.7 -67.9 -40.5 31.2 -16.0 116.1 82 87 A V H X S+ 0 0 5 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.915 113.3 45.9 -64.8 -46.3 27.6 -16.5 117.1 83 88 A T H X S+ 0 0 9 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.758 109.1 56.8 -70.9 -21.9 26.8 -12.8 116.8 84 89 A K H X S+ 0 0 83 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.910 108.5 47.2 -72.6 -40.3 28.6 -12.8 113.5 85 90 A T H X S+ 0 0 42 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.926 111.7 50.9 -64.1 -44.0 26.2 -15.6 112.5 86 91 A F H X S+ 0 0 2 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.943 107.6 53.1 -57.1 -52.2 23.3 -13.5 113.8 87 92 A H H X S+ 0 0 67 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.920 113.0 42.7 -51.4 -49.5 24.4 -10.5 111.8 88 93 A N H <>S+ 0 0 75 -4,-2.1 5,-2.1 2,-0.2 -1,-0.2 0.905 115.6 48.4 -67.2 -39.7 24.5 -12.4 108.5 89 94 A A H ><5S+ 0 0 0 -4,-2.6 68,-2.6 1,-0.2 3,-1.8 0.912 110.1 50.9 -65.7 -44.9 21.2 -14.3 109.2 90 95 A L H 3<5S+ 0 0 0 -4,-3.2 65,-0.3 1,-0.3 -1,-0.2 0.822 107.0 55.5 -64.1 -31.4 19.3 -11.2 110.1 91 96 A Q T 3<5S- 0 0 67 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.379 135.0 -81.7 -83.6 5.5 20.5 -9.5 106.9 92 97 A G T < 5S+ 0 0 25 -3,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.163 76.9 143.1 123.8 -23.9 19.1 -12.4 104.8 93 98 A N < - 0 0 72 -5,-2.1 3,-0.5 1,-0.2 -1,-0.3 -0.349 25.5-173.0 -55.7 110.5 21.4 -15.4 104.7 94 99 A E + 0 0 118 -2,-0.4 -1,-0.2 1,-0.2 -5,-0.1 0.609 69.6 70.8 -84.5 -13.3 19.1 -18.3 104.8 95 100 A S S S+ 0 0 95 2,-0.1 -1,-0.2 62,-0.0 2,-0.1 0.603 77.6 99.7 -79.5 -9.6 21.5 -21.3 105.1 96 101 A L - 0 0 37 -3,-0.5 2,-0.4 -11,-0.1 64,-0.1 -0.479 60.3-151.6 -79.5 148.8 22.4 -20.3 108.7 97 102 A K - 0 0 160 -2,-0.1 2,-0.7 62,-0.1 -2,-0.1 -0.970 9.2-139.1-125.5 137.9 20.7 -22.2 111.6 98 103 A L - 0 0 20 -2,-0.4 2,-0.2 4,-0.0 -2,-0.0 -0.844 26.8-168.6 -97.2 110.0 20.0 -21.0 115.2 99 104 A T > - 0 0 64 -2,-0.7 4,-2.1 1,-0.1 3,-0.3 -0.601 34.0-116.5 -97.6 159.2 20.8 -23.8 117.7 100 105 A E H > S+ 0 0 111 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.856 117.3 59.3 -59.8 -35.0 19.9 -23.9 121.4 101 106 A E H > S+ 0 0 154 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.917 107.1 47.4 -59.9 -41.4 23.6 -23.9 122.2 102 107 A M H > S+ 0 0 27 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.919 110.4 49.9 -65.3 -47.5 23.8 -20.5 120.3 103 108 A K H X S+ 0 0 55 -4,-2.1 4,-3.2 1,-0.2 5,-0.2 0.934 113.4 47.2 -56.4 -49.2 20.8 -19.0 122.1 104 109 A E H X S+ 0 0 107 -4,-2.6 4,-3.4 2,-0.2 5,-0.3 0.929 111.9 47.9 -59.5 -52.1 22.1 -20.0 125.5 105 110 A L H X S+ 0 0 42 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.948 114.4 49.4 -55.0 -48.9 25.6 -18.7 124.9 106 111 A Y H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.948 114.8 41.8 -54.6 -56.9 24.1 -15.5 123.6 107 112 A L H X S+ 0 0 42 -4,-3.2 4,-3.0 1,-0.2 -1,-0.2 0.892 114.5 52.0 -61.4 -40.1 21.8 -15.0 126.6 108 113 A N H X S+ 0 0 79 -4,-3.4 4,-2.8 2,-0.2 -1,-0.2 0.916 109.5 48.2 -64.3 -43.9 24.4 -16.1 129.1 109 114 A V H X S+ 0 0 12 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.932 114.1 47.6 -62.5 -42.8 27.0 -13.6 127.8 110 115 A N H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.918 111.0 51.4 -63.9 -39.7 24.3 -10.9 127.9 111 116 A R H X S+ 0 0 105 -4,-3.0 4,-0.6 1,-0.2 -2,-0.2 0.928 110.5 49.8 -61.9 -43.3 23.3 -12.0 131.4 112 117 A E H >X S+ 0 0 122 -4,-2.8 3,-1.7 1,-0.2 4,-0.5 0.949 109.4 48.8 -60.0 -53.8 27.0 -11.7 132.5 113 118 A N H >< S+ 0 0 1 -4,-2.5 3,-1.1 1,-0.3 4,-0.5 0.844 101.5 65.6 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2,-0.2 3,-0.2 0.957 111.6 43.9 -58.7 -57.7 62.2 20.9 91.4 792 386 B M H X S+ 0 0 6 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.912 113.4 54.9 -55.7 -41.3 63.7 24.4 92.0 793 387 B G H X S+ 0 0 1 -4,-2.3 4,-1.9 -5,-0.3 -48,-0.3 0.867 106.5 48.7 -60.9 -40.9 61.0 25.0 94.5 794 388 B A H X S+ 0 0 49 -4,-2.2 4,-2.1 -3,-0.2 -1,-0.2 0.908 113.7 46.9 -67.3 -41.8 61.8 21.9 96.6 795 389 B K H X S+ 0 0 84 -4,-2.3 4,-2.2 -31,-0.2 -2,-0.2 0.876 109.8 54.6 -66.9 -35.9 65.5 22.8 96.5 796 390 B A H X S+ 0 0 0 -4,-2.7 4,-1.5 -5,-0.2 -1,-0.2 0.863 109.1 47.5 -66.5 -35.1 64.6 26.4 97.5 797 391 B K H X S+ 0 0 56 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.899 109.8 53.1 -72.1 -38.3 62.7 25.1 100.5 798 392 B E H X S+ 0 0 74 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.914 105.9 52.9 -63.5 -40.7 65.6 22.9 101.5 799 393 B R H X S+ 0 0 57 -4,-2.2 4,-0.8 1,-0.2 5,-0.3 0.901 111.4 46.8 -62.9 -37.5 68.0 25.8 101.4 800 394 B V H >X>S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 5,-0.6 0.905 109.3 54.3 -68.8 -42.2 65.7 27.8 103.8 801 395 B R H 3<5S+ 0 0 62 -4,-2.5 4,-0.2 1,-0.2 -2,-0.2 0.888 114.9 39.9 -58.7 -40.9 65.3 24.8 106.1 802 396 B K H 3<5S+ 0 0 125 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.564 133.1 16.8 -87.2 -7.1 69.0 24.4 106.5 803 397 B N H <<5S+ 0 0 49 -4,-0.8 -3,-0.2 -3,-0.6 -2,-0.2 0.729 121.4 33.6-133.4 -36.9 69.9 28.1 106.7 804 398 B F T <5S+ 0 0 4 -4,-1.8 -195,-2.3 -5,-0.3 2,-0.2 0.163 77.2 109.0-121.4 19.8 67.3 30.7 107.4 805 399 B I B >> S+ 0 0 0 -197,-2.3 4,-2.6 1,-0.3 5,-0.2 0.758 118.3 57.9 -49.5 -32.2 64.3 30.6 113.3 807 401 B T H 3> S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.833 109.1 45.1 -71.2 -28.9 65.9 27.4 114.8 808 402 B K H <> S+ 0 0 37 -3,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.856 111.0 54.8 -77.8 -36.4 69.1 28.0 112.8 809 403 B H H X S+ 0 0 11 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.932 109.9 46.7 -59.8 -46.5 68.9 31.6 113.8 810 404 B M H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 3,-0.4 0.924 109.4 53.6 -62.7 -43.0 68.8 30.5 117.4 811 405 B E H X S+ 0 0 6 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.912 104.0 56.3 -57.5 -42.7 71.7 28.1 116.8 812 406 B R H X S+ 0 0 52 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.856 105.9 51.8 -57.7 -37.5 73.8 31.0 115.4 813 407 B Y H X S+ 0 0 4 -4,-1.4 4,-2.9 -3,-0.4 5,-0.3 0.902 106.6 52.5 -66.4 -42.3 73.2 32.8 118.7 814 408 B L H X S+ 0 0 0 -4,-1.9 4,-3.1 1,-0.2 5,-0.2 0.949 107.5 52.5 -59.2 -47.2 74.5 29.8 120.7 815 409 B D H X S+ 0 0 69 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.907 112.0 46.7 -53.7 -44.6 77.6 29.7 118.6 816 410 B I H >< S+ 0 0 13 -4,-1.8 3,-0.8 2,-0.2 -2,-0.2 0.972 113.5 45.5 -63.0 -56.5 78.2 33.4 119.4 817 411 B L H >< S+ 0 0 3 -4,-2.9 3,-1.8 1,-0.3 -2,-0.2 0.901 112.1 53.3 -54.6 -43.3 77.5 33.1 123.1 818 412 B N H 3< S+ 0 0 49 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.793 101.4 59.8 -63.6 -28.2 79.7 30.0 123.2 819 413 B S T << 0 0 69 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.385 360.0 360.0 -81.3 4.7 82.6 31.9 121.6 820 414 B L < 0 0 75 -3,-1.8 -3,-0.0 -4,-0.2 0, 0.0 -0.392 360.0 360.0-100.6 360.0 82.5 34.4 124.5