==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-JUL-06 2IYA . COMPND 2 MOLECULE: OLEANDOMYCIN GLYCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES ANTIBIOTICUS; . AUTHOR D.N.BOLAM,S.M.ROBERTS,M.R.PROCTOR,J.P.TURKENBURG,E.J.DODSON, . 776 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31234.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 527 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 104 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 45 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 265 34.1 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 2 2 2 1 0 5 0 2 2 2 0 5 2 1 0 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 8 12 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 11 A T 0 0 161 0, 0.0 30,-0.0 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 125.5 14.0 42.6 45.0 2 12 A P - 0 0 94 0, 0.0 2,-0.3 0, 0.0 29,-0.2 -0.303 360.0-162.0 -58.3 139.8 15.7 41.3 41.8 3 13 A R - 0 0 57 2,-0.0 29,-2.8 97,-0.0 2,-0.7 -0.757 22.1-112.4-118.0 167.3 17.3 44.1 39.7 4 14 A H E -a 32 0A 5 -2,-0.3 97,-3.5 27,-0.2 98,-0.9 -0.923 34.5-174.7-103.8 112.2 18.4 44.2 36.1 5 15 A I E -ab 33 102A 0 27,-2.4 29,-2.3 -2,-0.7 2,-0.5 -0.946 7.1-158.6-110.0 127.8 22.2 44.6 35.9 6 16 A S E -ab 34 103A 0 96,-2.7 98,-2.8 -2,-0.5 2,-0.5 -0.904 1.7-156.6-105.9 131.4 23.9 45.0 32.5 7 17 A F E -ab 35 104A 3 27,-2.4 29,-3.3 -2,-0.5 2,-0.5 -0.914 5.7-162.1-100.9 131.6 27.5 44.3 31.9 8 18 A F E +ab 36 105A 4 96,-2.6 98,-2.2 -2,-0.5 2,-0.3 -0.966 24.9 154.1-109.1 128.2 29.2 46.1 28.9 9 19 A N - 0 0 6 27,-1.7 7,-0.1 -2,-0.5 96,-0.0 -0.874 37.8-114.0-143.5-179.7 32.5 44.5 27.8 10 20 A I - 0 0 6 -2,-0.3 2,-2.4 2,-0.2 6,-0.2 -0.829 42.3 -94.5-119.4 151.8 34.8 44.2 24.7 11 21 A P S S+ 0 0 3 0, 0.0 51,-0.4 0, 0.0 2,-0.3 -0.383 83.9 105.0 -74.3 72.3 35.6 41.0 22.8 12 22 A G >> - 0 0 6 -2,-2.4 4,-2.8 1,-0.1 3,-1.1 -0.979 67.1-135.4-145.3 134.1 38.8 39.8 24.5 13 23 A H H 3> S+ 0 0 32 -2,-0.3 4,-2.5 1,-0.3 -1,-0.1 0.857 106.9 58.8 -58.0 -34.5 39.2 36.9 27.0 14 24 A G H 34 S+ 0 0 40 1,-0.2 -1,-0.3 2,-0.2 288,-0.1 0.757 114.0 37.1 -67.2 -23.4 41.4 39.1 29.2 15 25 A H H <> S+ 0 0 48 -3,-1.1 4,-0.6 -5,-0.2 -2,-0.2 0.829 121.6 43.6 -93.0 -38.1 38.6 41.7 29.6 16 26 A V H >X S+ 0 0 0 -4,-2.8 4,-0.9 -6,-0.2 3,-0.7 0.922 101.6 65.0 -73.3 -47.1 35.6 39.2 29.7 17 27 A N H >X S+ 0 0 17 -4,-2.5 3,-1.0 1,-0.2 4,-0.6 0.855 97.5 51.6 -52.9 -48.2 37.0 36.5 32.1 18 28 A P H >> S+ 0 0 15 0, 0.0 3,-0.7 0, 0.0 4,-0.6 0.880 106.3 56.5 -58.7 -32.4 37.3 38.6 35.3 19 29 A S H XX S+ 0 0 0 -3,-0.7 4,-2.3 -4,-0.6 3,-0.6 0.778 90.8 73.9 -67.6 -26.6 33.7 39.8 35.0 20 30 A L H S+ 0 0 0 -4,-2.8 5,-2.2 2,-0.2 -2,-0.2 0.885 112.0 49.5 -63.1 -40.9 24.8 38.3 41.0 27 37 A V H ><5S+ 0 0 50 -4,-2.6 3,-1.6 -5,-0.2 -2,-0.2 0.909 108.3 53.6 -64.0 -42.4 22.8 35.5 39.3 28 38 A A H 3<5S+ 0 0 48 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.865 104.8 55.7 -59.4 -36.7 23.1 33.4 42.5 29 39 A R T 3<5S- 0 0 57 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.431 126.0-102.6 -77.2 -4.0 21.7 36.3 44.5 30 40 A G T < 5S+ 0 0 43 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.461 73.0 140.1 100.3 5.5 18.6 36.4 42.2 31 41 A H < - 0 0 21 -5,-2.2 2,-0.6 -29,-0.2 -1,-0.3 -0.406 54.8-119.8 -77.2 157.3 19.4 39.3 39.9 32 42 A R E -a 4 0A 120 -29,-2.8 -27,-2.4 -2,-0.1 2,-0.5 -0.889 35.0-166.2 -95.9 117.9 18.6 39.4 36.1 33 43 A V E -a 5 0A 5 -2,-0.6 18,-2.5 16,-0.4 2,-0.3 -0.915 11.5-175.0-116.0 126.6 21.9 39.9 34.4 34 44 A S E -ac 6 51A 8 -29,-2.3 -27,-2.4 -2,-0.5 2,-0.4 -0.818 10.3-155.6-112.9 158.3 22.4 40.9 30.7 35 45 A Y E -ac 7 52A 0 16,-2.6 18,-3.1 -2,-0.3 2,-0.7 -0.931 8.3-146.7-146.6 111.5 25.7 41.1 29.0 36 46 A A E +ac 8 53A 0 -29,-3.3 -27,-1.7 -2,-0.4 2,-0.3 -0.712 48.8 120.4 -83.7 114.7 26.7 43.1 26.0 37 47 A I E - c 0 54A 0 16,-1.6 18,-1.7 -2,-0.7 2,-0.1 -0.902 60.0 -81.3-159.4 177.9 29.3 41.3 24.0 38 48 A T > - 0 0 9 -2,-0.3 3,-1.6 16,-0.2 4,-0.5 -0.458 45.1-100.0 -90.4 169.4 29.9 39.7 20.5 39 49 A D G >> S+ 0 0 74 16,-0.4 3,-1.2 1,-0.3 4,-0.5 0.826 116.7 69.7 -55.6 -36.2 28.8 36.3 19.2 40 50 A E G 34 S+ 0 0 60 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.796 109.6 33.1 -51.3 -33.5 32.3 34.9 19.9 41 51 A F G <> S+ 0 0 1 -3,-1.6 4,-2.2 1,-0.1 -1,-0.3 0.392 88.8 100.1-108.7 1.4 31.6 35.1 23.7 42 52 A A H <> S+ 0 0 16 -3,-1.2 4,-2.8 -4,-0.5 5,-0.2 0.898 81.6 50.8 -60.8 -44.0 27.9 34.5 23.8 43 53 A A H X S+ 0 0 62 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.905 112.2 47.7 -61.8 -39.8 28.1 30.8 24.9 44 54 A Q H > S+ 0 0 24 2,-0.2 4,-1.0 -4,-0.2 -1,-0.2 0.881 112.5 47.6 -67.4 -42.0 30.5 31.6 27.7 45 55 A V H >X>S+ 0 0 0 -4,-2.2 5,-1.8 2,-0.2 4,-0.6 0.920 110.8 52.9 -65.1 -43.7 28.4 34.5 29.0 46 56 A K H ><5S+ 0 0 134 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.909 105.4 54.2 -54.8 -47.6 25.3 32.2 28.8 47 57 A A H 3<5S+ 0 0 58 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.770 103.1 57.0 -59.5 -29.9 27.1 29.5 30.9 48 58 A A H <<5S- 0 0 9 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.621 126.2-103.0 -76.4 -16.4 27.8 32.2 33.6 49 59 A G T <<5S+ 0 0 38 -3,-1.4 -16,-0.4 -4,-0.6 2,-0.2 0.436 80.6 121.7 111.6 2.5 24.1 32.8 33.8 50 60 A A < - 0 0 4 -5,-1.8 -1,-0.4 -18,-0.1 -16,-0.2 -0.592 63.5-119.3 -93.8 157.0 23.7 36.1 31.8 51 61 A T E -c 34 0A 93 -18,-2.5 -16,-2.6 -2,-0.2 2,-0.2 -0.860 34.2-127.6 -91.0 119.9 21.6 36.8 28.8 52 62 A P E -c 35 0A 25 0, 0.0 2,-0.7 0, 0.0 -16,-0.2 -0.480 14.4-160.0 -66.9 136.8 23.9 37.9 25.9 53 63 A V E -c 36 0A 26 -18,-3.1 -16,-1.6 -2,-0.2 2,-0.4 -0.949 25.1-149.4-110.5 100.7 23.1 41.2 24.2 54 64 A V E +c 37 0A 80 -2,-0.7 2,-0.3 -18,-0.2 -16,-0.2 -0.613 20.0 178.8 -88.0 129.1 25.0 40.6 21.0 55 65 A Y - 0 0 13 -18,-1.7 2,-0.5 -2,-0.4 -16,-0.4 -0.841 32.2-108.1-119.5 163.2 26.5 43.5 19.1 56 66 A D - 0 0 90 -2,-0.3 2,-0.3 30,-0.2 34,-0.1 -0.796 38.9-165.9 -94.1 129.9 28.5 43.7 15.9 57 67 A S - 0 0 14 -2,-0.5 4,-0.1 2,-0.1 26,-0.0 -0.845 30.0-160.7-118.8 148.8 32.2 44.7 16.5 58 68 A I + 0 0 87 -2,-0.3 -1,-0.1 21,-0.1 3,-0.1 0.297 61.0 117.0-103.4 5.1 35.0 45.9 14.2 59 69 A L S S- 0 0 3 1,-0.1 2,-0.2 21,-0.0 -2,-0.1 -0.402 82.3 -89.7 -72.7 150.1 37.6 44.8 16.8 60 70 A P - 0 0 14 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.464 44.3-124.6 -66.6 124.5 40.1 42.0 15.8 61 71 A K > - 0 0 94 -2,-0.2 3,-1.5 1,-0.1 6,-0.3 -0.552 5.2-146.5 -73.6 127.0 38.6 38.6 16.7 62 72 A E T 3 S+ 0 0 18 -51,-0.4 201,-0.2 -2,-0.3 -1,-0.1 0.739 102.6 54.5 -68.3 -17.0 40.9 36.5 18.9 63 73 A S T 3 S+ 0 0 65 1,-0.1 -1,-0.3 201,-0.0 -2,-0.0 0.580 92.8 79.5 -84.9 -16.0 39.4 33.5 17.0 64 74 A N X - 0 0 47 -3,-1.5 3,-1.5 1,-0.1 -1,-0.1 -0.851 61.8-164.3 -98.3 110.8 40.3 34.8 13.5 65 75 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.520 80.8 73.6 -75.2 -0.7 44.1 34.2 12.7 66 76 A E T 3 S+ 0 0 182 -5,-0.1 2,-0.3 1,-0.0 198,-0.0 0.558 100.1 41.5 -86.6 -6.9 44.0 36.7 9.9 67 77 A E < - 0 0 69 -3,-1.5 2,-0.3 -6,-0.3 -3,-0.1 -0.967 62.5-178.1-142.8 154.8 43.8 39.8 12.2 68 78 A S - 0 0 62 -2,-0.3 -7,-0.1 168,-0.0 168,-0.1 -0.944 31.3 -95.4-146.2 163.5 45.4 41.0 15.4 69 79 A W - 0 0 40 -2,-0.3 2,-0.1 166,-0.2 7,-0.0 -0.446 43.6-112.0 -71.0 153.3 45.5 43.8 17.9 70 80 A P - 0 0 35 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.461 15.4-135.5 -77.0 162.9 48.1 46.6 17.6 71 81 A E S S+ 0 0 105 -2,-0.1 2,-0.3 248,-0.0 250,-0.3 0.644 78.8 84.4 -88.5 -17.5 50.9 46.7 20.3 72 82 A D S > S- 0 0 75 1,-0.1 4,-2.1 248,-0.1 3,-0.2 -0.697 72.0-139.4-100.4 142.1 50.7 50.5 20.8 73 83 A Q H > S+ 0 0 78 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.871 99.9 59.5 -63.3 -40.6 48.3 52.4 23.0 74 84 A E H > S+ 0 0 32 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.929 109.9 41.2 -54.0 -51.8 47.7 55.2 20.5 75 85 A S H > S+ 0 0 58 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.899 114.7 52.8 -64.0 -41.0 46.3 52.8 17.8 76 86 A A H X S+ 0 0 20 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.911 106.6 51.3 -63.5 -43.9 44.3 50.8 20.3 77 87 A M H X S+ 0 0 11 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.910 108.1 53.3 -61.4 -38.9 42.6 53.8 21.7 78 88 A G H X S+ 0 0 22 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.907 109.1 50.0 -58.5 -44.3 41.6 54.9 18.1 79 89 A L H X S+ 0 0 56 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.918 109.6 49.8 -60.8 -44.7 40.1 51.4 17.6 80 90 A F H X S+ 0 0 27 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.829 110.6 51.0 -68.5 -29.8 38.1 51.6 20.9 81 91 A L H X S+ 0 0 4 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.951 111.4 45.7 -68.8 -50.5 36.8 55.1 19.9 82 92 A D H X S+ 0 0 79 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.900 113.9 50.7 -62.1 -36.3 35.6 53.9 16.4 83 93 A E H X S+ 0 0 8 -4,-2.6 4,-2.6 -5,-0.2 5,-0.3 0.925 107.1 53.7 -65.9 -42.7 34.1 50.8 18.1 84 94 A A H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.900 106.4 52.8 -57.6 -43.9 32.3 53.0 20.7 85 95 A V H < S+ 0 0 77 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.901 116.8 38.6 -56.2 -42.2 30.7 55.1 17.8 86 96 A R H < S+ 0 0 107 -4,-1.5 4,-0.5 -5,-0.2 -2,-0.2 0.770 119.6 44.6 -83.9 -28.8 29.4 52.0 16.2 87 97 A V H X S+ 0 0 7 -4,-2.6 4,-2.1 2,-0.1 3,-0.5 0.853 96.1 73.5 -87.6 -38.3 28.4 50.0 19.3 88 98 A L H X S+ 0 0 2 -4,-2.6 4,-2.3 -5,-0.3 3,-0.2 0.887 100.5 43.0 -41.6 -56.6 26.7 52.8 21.3 89 99 A P H > S+ 0 0 57 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.831 109.8 58.2 -65.7 -29.9 23.5 52.9 19.0 90 100 A Q H > S+ 0 0 56 -4,-0.5 4,-2.2 -3,-0.5 -2,-0.2 0.910 110.8 42.0 -62.7 -40.7 23.4 49.1 19.0 91 101 A L H X S+ 0 0 3 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.874 111.7 54.6 -74.8 -35.1 23.1 49.0 22.8 92 102 A E H < S+ 0 0 57 -4,-2.3 4,-0.2 -5,-0.3 -2,-0.2 0.927 113.1 43.4 -63.5 -43.0 20.7 51.9 22.9 93 103 A D H >< S+ 0 0 128 -4,-2.4 3,-1.0 2,-0.2 4,-0.3 0.909 112.9 51.8 -63.7 -47.5 18.4 50.0 20.5 94 104 A A H 3< S+ 0 0 57 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.885 118.9 35.2 -60.5 -40.8 18.8 46.7 22.3 95 105 A Y T >< S+ 0 0 5 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.283 83.8 111.8 -97.7 8.4 17.9 48.1 25.7 96 106 A A T < S+ 0 0 54 -3,-1.0 3,-0.3 1,-0.3 -1,-0.2 0.876 89.7 28.3 -54.2 -43.3 15.3 50.6 24.5 97 107 A D T 3 S+ 0 0 171 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.387 128.9 40.8 -99.2 3.7 12.4 48.8 26.1 98 108 A D S < S- 0 0 68 -3,-1.3 -1,-0.2 -4,-0.0 -2,-0.1 -0.418 73.9-173.3-153.4 57.8 14.2 47.2 29.0 99 109 A R - 0 0 134 -3,-0.3 -95,-0.1 1,-0.1 -3,-0.1 -0.373 25.7-119.4 -64.2 137.9 16.7 49.6 30.5 100 110 A P - 0 0 2 0, 0.0 -95,-0.2 0, 0.0 3,-0.1 -0.217 6.7-132.1 -70.3 163.3 19.0 48.1 33.2 101 111 A D S S+ 0 0 51 -97,-3.5 2,-0.3 1,-0.3 -96,-0.2 0.605 90.1 9.3 -86.3 -17.5 19.1 49.4 36.8 102 112 A L E -b 5 0A 0 -98,-0.9 -96,-2.7 19,-0.2 2,-0.5 -0.972 66.0-141.9-161.5 145.6 22.9 49.6 36.7 103 113 A I E -bd 6 123A 0 19,-2.1 21,-2.8 -2,-0.3 2,-0.5 -0.971 7.2-166.6-114.8 129.0 25.7 49.2 34.2 104 114 A V E -bd 7 124A 2 -98,-2.8 -96,-2.6 -2,-0.5 2,-0.4 -0.976 24.8-172.2-108.4 123.2 29.1 47.4 35.1 105 115 A Y E -bd 8 125A 13 19,-2.4 21,-2.9 -2,-0.5 -96,-0.2 -0.934 23.2-120.6-131.2 144.5 31.5 48.3 32.3 106 116 A D E > - d 0 126A 4 -98,-2.2 3,-2.0 -2,-0.4 21,-0.2 -0.280 38.8-103.7 -69.9 159.9 35.0 47.3 31.2 107 117 A I T 3 S+ 0 0 52 19,-0.7 -1,-0.1 1,-0.3 20,-0.1 0.768 123.2 43.6 -54.5 -30.0 37.8 49.9 30.9 108 118 A A T 3 S+ 0 0 10 1,-0.1 2,-1.4 -98,-0.0 -1,-0.3 0.331 84.8 100.2 -99.9 5.6 37.4 49.9 27.1 109 119 A S X + 0 0 7 -3,-2.0 3,-2.1 -101,-0.2 -1,-0.1 -0.493 43.0 167.5 -93.4 69.6 33.6 50.0 27.0 110 120 A W T 3> + 0 0 21 -2,-1.4 4,-0.7 1,-0.3 -1,-0.2 0.661 64.4 69.4 -65.0 -20.6 33.3 53.8 26.4 111 121 A P H 3> S+ 0 0 7 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.766 84.7 77.0 -60.9 -22.5 29.5 53.7 25.5 112 122 A A H <> S+ 0 0 0 -3,-2.1 4,-3.1 1,-0.2 5,-0.2 0.932 93.5 42.9 -60.7 -51.6 28.8 52.9 29.2 113 123 A P H > S+ 0 0 8 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.819 113.5 55.7 -64.5 -26.9 29.2 56.4 30.7 114 124 A V H X S+ 0 0 6 -4,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.962 114.7 36.8 -66.2 -50.7 27.3 57.8 27.7 115 125 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.861 112.0 58.8 -73.7 -34.8 24.3 55.6 28.3 116 126 A G H X>S+ 0 0 2 -4,-3.1 5,-2.3 -5,-0.3 4,-0.7 0.909 112.1 42.6 -56.4 -41.9 24.5 55.7 32.1 117 127 A R H ><5S+ 0 0 101 -4,-1.7 3,-0.5 -5,-0.2 -2,-0.2 0.932 115.4 48.3 -68.0 -48.0 24.1 59.5 31.8 118 128 A K H 3<5S+ 0 0 127 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.895 120.0 37.8 -59.8 -42.8 21.4 59.3 29.2 119 129 A W H 3<5S- 0 0 15 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.489 105.5-127.0 -87.7 -7.4 19.4 56.8 31.2 120 130 A D T <<5 + 0 0 146 -4,-0.7 -3,-0.2 -3,-0.5 -4,-0.1 0.949 63.6 132.2 54.0 53.1 20.2 58.3 34.6 121 131 A I < - 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0 0 2 -5,-2.4 -1,-0.2 54,-0.1 -18,-0.1 -0.869 39.0-126.8-100.9 122.2 11.2 64.0 74.9 701 343 B P - 0 0 11 0, 0.0 -18,-1.6 0, 0.0 2,-0.3 -0.370 30.0-142.9 -66.7 145.1 8.0 62.3 73.7 702 344 B M E -uv 683 724D 0 21,-1.3 23,-2.5 -20,-0.2 2,-0.5 -0.842 25.5-163.5-118.3 145.9 8.2 60.4 70.5 703 345 B V E -uv 684 725D 0 -20,-2.6 -18,-2.1 -2,-0.3 2,-0.4 -0.975 31.4-154.0-117.7 110.9 6.2 59.7 67.4 704 346 B A E +uv 685 726D 0 21,-3.1 23,-2.8 -2,-0.5 -18,-0.2 -0.744 24.1 176.7 -97.2 127.4 8.0 56.6 65.9 705 347 B V - 0 0 0 -20,-3.2 7,-0.1 -2,-0.4 21,-0.1 -0.785 26.4-155.2-126.2 82.2 7.9 55.9 62.2 706 348 B P - 0 0 4 0, 0.0 23,-0.5 0, 0.0 -19,-0.1 -0.210 19.1-168.4 -65.6 150.7 10.2 52.8 61.9 707 349 B Q S S+ 0 0 12 -21,-0.4 2,-0.3 1,-0.2 -20,-0.1 0.769 71.4 26.6-104.5 -37.7 12.0 51.8 58.7 708 350 B I S >> S- 0 0 32 -22,-0.2 4,-1.9 1,-0.0 3,-0.7 -0.813 89.8 -97.8-125.0 166.3 13.3 48.2 59.5 709 351 B A H 3> S+ 0 0 76 -243,-0.3 4,-2.6 -2,-0.3 5,-0.2 0.834 119.8 58.4 -55.6 -37.9 12.1 45.4 61.9 710 352 B E H 3> S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.939 108.7 46.0 -55.8 -45.3 14.5 46.4 64.6 711 353 B Q H <> S+ 0 0 7 -3,-0.7 4,-3.1 2,-0.2 -1,-0.2 0.873 108.5 56.3 -68.1 -36.2 13.0 49.9 64.7 712 354 B T H X S+ 0 0 46 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.930 107.3 48.6 -60.6 -43.1 9.6 48.4 64.7 713 355 B M H X S+ 0 0 37 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.902 112.1 49.7 -63.7 -36.8 10.4 46.4 67.8 714 356 B N H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.927 109.5 50.8 -66.3 -43.1 11.8 49.6 69.4 715 357 B A H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.893 107.2 54.6 -59.9 -42.4 8.6 51.5 68.5 716 358 B E H X S+ 0 0 82 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.901 107.7 49.5 -58.5 -41.8 6.6 48.6 70.1 717 359 B R H X S+ 0 0 43 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.896 107.2 55.2 -65.0 -38.6 8.6 49.0 73.4 718 360 B I H <>S+ 0 0 0 -4,-2.1 5,-2.7 2,-0.2 6,-0.5 0.923 112.6 42.6 -57.5 -44.8 8.0 52.8 73.3 719 361 B V H ><5S+ 0 0 74 -4,-2.1 3,-1.5 3,-0.2 -2,-0.2 0.918 112.3 53.2 -68.9 -44.6 4.2 52.1 73.1 720 362 B E H 3<5S+ 0 0 128 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.786 111.5 46.5 -61.5 -31.0 4.3 49.3 75.7 721 363 B L T 3<5S- 0 0 51 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.389 113.3-119.0 -92.2 1.6 6.1 51.7 78.2 722 364 B G T < 5S+ 0 0 19 -3,-1.5 31,-0.2 -4,-0.1 -3,-0.2 0.865 76.0 124.6 65.1 41.3 3.6 54.6 77.5 723 365 B L S - 0 0 38 0, 0.0 3,-2.5 0, 0.0 4,-0.5 -0.241 24.3-115.2 -58.2 145.8 3.9 52.4 60.7 729 371 B R G > S+ 0 0 103 -23,-0.5 3,-1.0 1,-0.3 -22,-0.1 0.832 114.6 54.0 -57.7 -33.8 5.5 54.0 57.6 730 372 B D G 3 S+ 0 0 137 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.476 108.5 51.2 -79.3 -1.1 2.7 52.8 55.2 731 373 B Q G < S+ 0 0 99 -3,-2.5 -1,-0.2 2,-0.0 -2,-0.2 0.357 80.8 127.8-112.0 -0.7 0.0 54.4 57.5 732 374 B V < + 0 0 28 -3,-1.0 2,-0.3 -4,-0.5 3,-0.1 -0.346 26.4 164.7 -63.5 133.7 1.6 57.9 57.7 733 375 B T > - 0 0 61 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.955 47.9-113.4-138.1 161.0 -0.6 60.9 56.8 734 376 B A H > S+ 0 0 28 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.913 118.1 49.2 -56.5 -43.8 -0.1 64.6 57.5 735 377 B E H > S+ 0 0 134 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.883 109.6 50.4 -65.2 -42.7 -3.1 64.6 59.8 736 378 B K H > S+ 0 0 73 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.905 111.1 49.0 -64.0 -42.1 -1.9 61.6 61.8 737 379 B L H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.947 113.2 46.7 -62.4 -47.3 1.5 63.1 62.3 738 380 B R H X S+ 0 0 103 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.947 114.9 46.0 -58.4 -51.0 0.1 66.4 63.5 739 381 B E H X S+ 0 0 101 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.899 113.1 50.6 -59.2 -45.4 -2.4 64.7 65.9 740 382 B A H X S+ 0 0 2 -4,-2.6 4,-2.7 -5,-0.2 5,-0.3 0.937 111.2 47.1 -60.3 -48.3 0.3 62.4 67.2 741 383 B V H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.948 114.8 45.8 -59.4 -50.2 2.8 65.1 67.9 742 384 B L H X S+ 0 0 58 -4,-2.5 4,-0.8 -5,-0.2 -1,-0.2 0.865 114.1 50.0 -62.7 -36.4 0.2 67.4 69.7 743 385 B A H >X S+ 0 0 29 -4,-2.3 4,-0.9 -5,-0.2 3,-0.8 0.962 113.8 42.0 -67.1 -52.7 -1.2 64.4 71.7 744 386 B V H 3< S+ 0 0 5 -4,-2.7 3,-0.2 1,-0.2 -2,-0.2 0.812 112.2 55.3 -68.6 -28.6 2.2 63.1 73.0 745 387 B A H 3< S+ 0 0 38 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.706 116.2 35.9 -75.3 -20.7 3.5 66.6 73.7 746 388 B S H << S+ 0 0 89 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.417 85.0 113.1-112.7 -3.2 0.5 67.6 76.0 747 389 B D X - 0 0 70 -4,-0.9 4,-2.4 -3,-0.2 5,-0.1 -0.623 50.3-159.4 -80.0 116.2 -0.2 64.3 77.7 748 390 B P H > S+ 0 0 89 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.834 92.5 54.5 -63.2 -32.2 0.5 64.6 81.5 749 391 B G H > S+ 0 0 14 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.915 108.8 48.4 -66.7 -45.1 0.8 60.8 81.9 750 392 B V H > S+ 0 0 11 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.949 110.5 51.8 -56.5 -49.3 3.4 60.6 79.1 751 393 B A H X S+ 0 0 59 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.894 111.0 48.6 -54.1 -42.7 5.3 63.5 80.8 752 394 B E H X S+ 0 0 136 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.927 112.6 45.6 -67.1 -46.1 5.2 61.5 84.1 753 395 B R H X S+ 0 0 103 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.878 112.7 52.1 -67.2 -35.6 6.4 58.3 82.6 754 396 B L H X S+ 0 0 4 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.908 107.2 52.4 -64.3 -42.1 9.1 60.1 80.6 755 397 B A H X S+ 0 0 42 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.910 111.4 47.4 -57.1 -43.2 10.3 61.8 83.8 756 398 B A H X S+ 0 0 49 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.887 111.8 48.8 -67.0 -43.1 10.6 58.4 85.5 757 399 B V H X S+ 0 0 18 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.887 107.3 55.9 -65.6 -40.0 12.5 56.8 82.6 758 400 B R H X S+ 0 0 104 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.917 109.6 46.4 -56.4 -43.0 14.9 59.8 82.5 759 401 B Q H X S+ 0 0 79 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.901 108.5 55.3 -68.0 -39.9 15.7 59.1 86.1 760 402 B E H < S+ 0 0 74 -4,-2.1 4,-0.4 1,-0.2 3,-0.3 0.908 108.9 48.7 -56.2 -41.8 16.1 55.4 85.4 761 403 B I H >< S+ 0 0 19 -4,-2.4 3,-1.4 1,-0.2 4,-0.4 0.922 106.6 54.8 -65.0 -43.2 18.7 56.3 82.8 762 404 B R H 3< S+ 0 0 182 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.779 114.6 42.4 -58.6 -27.2 20.5 58.6 85.2 763 405 B E T 3< S+ 0 0 128 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.415 89.8 88.9 -96.2 -4.3 20.8 55.6 87.5 764 406 B A S < S- 0 0 25 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.1 0.700 97.3-116.4 -77.7 -20.0 21.6 52.9 84.9 765 407 B G >> - 0 0 34 -4,-0.4 4,-2.1 -3,-0.3 3,-0.6 -0.190 41.0-170.5 117.4 -38.6 25.4 53.5 85.2 766 408 B G H 3> - 0 0 16 -167,-2.8 4,-2.4 1,-0.2 -164,-0.2 -0.053 61.6 -19.2 55.0-147.6 26.3 54.8 81.7 767 409 B A H 3> S+ 0 0 18 -166,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.825 137.0 58.4 -64.5 -34.6 29.9 55.2 80.5 768 410 B R H <> S+ 0 0 176 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.945 109.9 42.4 -60.0 -48.1 31.2 55.2 84.2 769 411 B A H X S+ 0 0 23 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.913 113.8 52.7 -65.7 -41.9 29.7 51.8 84.9 770 412 B A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.929 109.8 48.2 -59.4 -43.3 30.9 50.5 81.5 771 413 B A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.882 108.9 54.4 -65.4 -38.8 34.4 51.7 82.2 772 414 B D H X S+ 0 0 88 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.914 107.3 49.8 -59.5 -45.5 34.3 50.0 85.7 773 415 B I H X S+ 0 0 28 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.917 112.1 48.2 -60.2 -44.8 33.3 46.6 84.1 774 416 B L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.901 109.0 53.5 -64.0 -40.4 36.2 46.9 81.6 775 417 B E H X S+ 0 0 59 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.842 104.3 55.0 -65.1 -34.0 38.6 47.8 84.4 776 418 B G H X S+ 0 0 46 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.879 109.5 47.7 -65.1 -38.0 37.7 44.7 86.4 777 419 B I H X S+ 0 0 29 -4,-1.5 4,-1.7 1,-0.2 3,-0.5 0.923 112.2 49.5 -68.5 -42.6 38.5 42.6 83.3 778 420 B L H < S+ 0 0 6 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.854 101.4 63.9 -61.1 -36.0 41.8 44.4 82.9 779 421 B A H < S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.864 112.2 35.6 -59.1 -36.8 42.6 43.9 86.6 780 422 B E H < 0 0 166 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.776 360.0 360.0 -85.9 -28.3 42.7 40.2 86.0 781 423 B A < 0 0 65 -4,-1.7 -265,-0.1 -5,-0.1 -284,-0.0 -0.274 360.0 360.0 -67.9 360.0 44.2 40.2 82.5