==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-FEB-09 3G3S . COMPND 2 MOLECULE: GCN5-RELATED N-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS SUIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 498 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22548.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 360 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 107 21.5 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 . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 31 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 0 4 2 3 3 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 PARALLEL BRIDGES PER LADDER . 0 4 0 3 1 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 0 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 0 A G > 0 0 30 0, 0.0 4,-2.6 0, 0.0 282,-0.2 0.000 360.0 360.0 360.0-164.0 9.0 92.3 5.8 2 1 A X H > + 0 0 34 280,-2.3 4,-2.0 1,-0.2 281,-0.1 0.850 360.0 48.2 -58.8 -41.7 12.6 92.0 6.9 3 2 A A H > S+ 0 0 3 279,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.817 110.6 51.7 -72.0 -32.1 11.7 91.5 10.6 4 3 A E H > S+ 0 0 67 278,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.931 110.2 49.0 -68.0 -43.9 9.1 88.9 9.8 5 4 A Q H X S+ 0 0 35 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.908 108.9 52.8 -62.8 -38.0 11.6 87.0 7.7 6 5 A X H X S+ 0 0 35 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.899 107.1 53.0 -65.6 -35.1 14.1 87.2 10.5 7 6 A R H X S+ 0 0 48 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.881 108.9 49.7 -64.1 -38.7 11.5 85.7 12.9 8 7 A R H X S+ 0 0 32 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.928 111.0 49.1 -63.9 -44.6 11.0 82.8 10.5 9 8 A V H >X S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 4,-0.7 0.909 106.5 56.3 -62.3 -40.9 14.7 82.2 10.3 10 9 A A H >X S+ 0 0 33 -4,-2.5 3,-1.1 1,-0.3 4,-1.1 0.876 100.0 60.0 -61.9 -34.8 15.0 82.3 14.1 11 10 A R H 3< S+ 0 0 153 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.799 93.3 65.6 -64.0 -29.0 12.4 79.5 14.3 12 11 A L H << S+ 0 0 40 -4,-0.9 46,-0.6 -3,-0.9 -1,-0.3 0.798 102.3 47.4 -58.3 -34.7 14.7 77.2 12.3 13 12 A F H << S+ 0 0 4 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.732 90.9 172.5 -78.7 -28.9 17.2 77.2 15.2 14 13 A G < - 0 0 54 -4,-1.1 2,-1.1 1,-0.1 -1,-0.2 -0.237 58.4 -7.4 62.3-140.8 14.4 76.5 17.6 15 14 A D S S+ 0 0 157 -4,-0.1 -1,-0.1 2,-0.1 -4,-0.0 -0.775 83.4 143.7 -92.5 90.3 15.3 75.8 21.2 16 15 A W - 0 0 38 -2,-1.1 2,-1.9 2,-0.1 6,-0.1 -0.909 38.7-154.1-133.9 97.1 19.1 75.6 20.8 17 16 A P + 0 0 43 0, 0.0 2,-0.6 0, 0.0 -2,-0.1 -0.235 48.5 127.2 -80.1 53.9 20.8 77.1 23.9 18 17 A E >> - 0 0 7 -2,-1.9 4,-1.6 1,-0.1 3,-1.2 -0.942 52.5-147.5-104.5 120.6 24.1 78.2 22.4 19 18 A T H 3> S+ 0 0 0 -2,-0.6 4,-2.7 1,-0.3 -1,-0.1 0.745 94.1 61.6 -66.2 -23.5 24.7 81.9 23.2 20 19 A I H 3> S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.829 103.3 51.8 -70.5 -32.5 26.6 82.6 20.0 21 20 A I H <> S+ 0 0 2 -3,-1.2 4,-2.8 2,-0.2 5,-0.2 0.936 110.1 49.5 -64.2 -44.9 23.4 81.7 18.1 22 21 A W H X S+ 0 0 83 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.938 109.3 51.9 -56.6 -44.2 21.6 84.1 20.4 23 22 A T H X S+ 0 0 3 -4,-2.7 4,-1.2 2,-0.2 6,-0.5 0.969 111.8 46.1 -53.5 -54.2 24.3 86.7 19.6 24 23 A C H < S+ 0 0 1 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.890 115.4 45.0 -59.7 -43.6 23.8 86.2 15.9 25 24 A L H < S+ 0 0 48 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.745 103.9 63.9 -72.8 -24.2 19.9 86.3 16.1 26 25 A E H < S- 0 0 84 -4,-2.2 -1,-0.2 -3,-0.3 -2,-0.2 0.778 104.1-128.4 -72.4 -29.9 19.8 89.4 18.4 27 26 A G S < S+ 0 0 23 -4,-1.2 -3,-0.1 2,-0.4 3,-0.1 0.291 80.1 90.3 111.3 -10.5 21.3 91.6 15.7 28 27 A T S S+ 0 0 91 -5,-0.4 2,-0.3 1,-0.2 -4,-0.1 0.875 94.8 16.6 -87.6 -42.1 24.4 93.5 17.0 29 28 A X S S+ 0 0 14 -6,-0.5 -2,-0.4 151,-0.1 -1,-0.2 -0.901 107.9 24.3-129.7 154.3 27.2 91.1 16.3 30 29 A G S S- 0 0 19 -2,-0.3 2,-0.3 18,-0.1 17,-0.2 -0.170 73.8-113.5 84.4-176.5 27.5 88.0 14.0 31 30 A D E -A 46 0A 15 15,-1.9 15,-2.3 222,-0.1 2,-0.4 -0.964 9.0-132.5-155.1 168.0 25.3 87.4 11.0 32 31 A I E -A 45 0A 0 -2,-0.3 220,-2.8 13,-0.2 221,-0.4 -0.994 17.1-176.5-132.3 131.6 22.7 85.2 9.5 33 32 A Y E -A 44 0A 68 11,-2.2 11,-2.5 -2,-0.4 2,-0.3 -0.928 6.5-174.8-127.2 148.2 22.5 83.5 6.1 34 33 A V E -A 43 0A 28 -2,-0.3 9,-0.2 9,-0.2 3,-0.2 -0.884 36.3-118.6-139.8 164.4 19.7 81.5 4.6 35 34 A D S S+ 0 0 49 7,-1.6 2,-0.4 -2,-0.3 -1,-0.1 0.857 102.8 12.3 -70.8 -35.1 19.0 79.4 1.6 36 35 A D - 0 0 72 6,-0.3 -1,-0.3 1,-0.1 6,-0.1 -0.950 60.0-150.8-151.0 120.6 16.1 81.6 0.5 37 36 A S S S+ 0 0 66 -2,-0.4 -1,-0.1 1,-0.2 -28,-0.1 0.901 102.1 36.4 -57.0 -44.9 15.1 85.0 1.9 38 37 A Q S S+ 0 0 152 1,-0.2 -1,-0.2 0, 0.0 -2,-0.0 0.789 132.1 25.7 -79.4 -33.1 11.4 84.4 1.1 39 38 A S S S- 0 0 70 -31,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.503 80.0-172.0-131.9 63.8 11.2 80.8 1.9 40 39 A P + 0 0 23 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.430 24.1 151.0 -67.5 122.1 13.9 80.0 4.4 41 40 A Q + 0 0 107 1,-0.3 18,-2.6 -2,-0.3 2,-0.3 0.439 67.9 40.5-119.5 -14.3 14.4 76.3 5.2 42 41 A S E - B 0 58A 2 16,-0.3 -7,-1.6 -6,-0.1 -6,-0.3 -0.991 68.2-178.2-138.4 139.0 18.1 76.3 6.0 43 42 A A E -AB 34 57A 0 14,-2.6 14,-2.6 -2,-0.3 2,-0.4 -0.979 16.9-154.9-145.0 159.3 20.1 78.8 8.0 44 43 A L E -AB 33 56A 0 -11,-2.5 -11,-2.2 -2,-0.3 2,-0.7 -0.998 5.8-158.3-134.7 120.6 23.6 79.6 9.2 45 44 A A E -AB 32 55A 0 10,-2.5 10,-2.7 -2,-0.4 2,-0.5 -0.939 23.3-171.0 -97.1 113.5 24.5 81.7 12.2 46 45 A L E +AB 31 54A 15 -15,-2.3 -15,-1.9 -2,-0.7 2,-0.4 -0.934 9.6 170.0-115.8 122.1 28.1 82.8 11.5 47 46 A Y E + B 0 53A 3 6,-2.4 6,-2.4 -2,-0.5 2,-0.2 -0.990 26.3 61.3-134.3 140.5 30.1 84.5 14.1 48 47 A G E - B 0 52A 25 -2,-0.4 4,-0.2 4,-0.2 -18,-0.1 -0.741 41.2-146.8 138.2 176.6 33.8 85.5 14.3 49 48 A R S S+ 0 0 101 2,-1.2 100,-0.1 -2,-0.2 3,-0.1 0.390 99.7 8.9-143.6 -50.4 36.6 87.6 12.8 50 49 A Q S S+ 0 0 46 1,-0.5 22,-0.4 21,-0.1 2,-0.3 0.746 141.9 21.9-104.7 -46.9 39.8 85.6 13.3 51 50 A S S S- 0 0 10 20,-0.1 -2,-1.2 94,-0.0 -1,-0.5 -0.857 84.3-160.9-115.0 159.4 38.3 82.4 14.5 52 51 A F E -Bc 48 73A 32 20,-2.4 22,-2.3 -2,-0.3 2,-0.4 -0.947 21.8-148.8-141.5 159.2 34.7 81.5 13.8 53 52 A F E -Bc 47 74A 11 -6,-2.4 -6,-2.4 -2,-0.3 2,-0.5 -0.983 9.8-166.5-122.1 144.2 31.6 79.4 14.6 54 53 A G E -Bc 46 75A 0 20,-2.7 22,-3.3 -2,-0.4 2,-0.6 -0.962 5.6-166.6-130.1 102.9 29.1 78.3 12.0 55 54 A F E -Bc 45 76A 0 -10,-2.7 -10,-2.5 -2,-0.5 2,-0.6 -0.886 11.2-155.4 -94.5 122.8 25.9 77.0 13.5 56 55 A L E +Bc 44 77A 0 20,-2.4 22,-2.3 -2,-0.6 23,-0.3 -0.851 16.1 176.4-109.3 115.8 23.9 75.2 10.9 57 56 A A E +B 43 0A 0 -14,-2.6 -14,-2.6 -2,-0.6 -44,-0.2 -0.732 39.0 11.8-120.2 158.8 20.1 74.8 11.2 58 57 A G E S-B 42 0A 12 -46,-0.6 -16,-0.3 -2,-0.2 24,-0.1 -0.472 108.7 -0.4 83.9-153.7 17.1 73.5 9.2 59 58 A Q S S- 0 0 122 -18,-2.6 -16,-0.1 -2,-0.2 -18,-0.1 -0.511 88.1 -99.0 -69.2 142.7 17.4 71.3 6.2 60 59 A P - 0 0 37 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.419 46.4-178.2 -62.3 139.1 21.0 70.6 5.1 61 60 A H >> - 0 0 54 1,-0.1 4,-1.1 -18,-0.1 3,-0.9 -0.933 25.9-151.0-147.2 120.6 22.1 72.9 2.3 62 61 A R H 3> S+ 0 0 118 -2,-0.3 4,-1.7 1,-0.3 -1,-0.1 0.793 93.0 64.1 -69.7 -25.3 25.5 72.8 0.6 63 62 A D H 3> S+ 0 0 88 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.845 100.6 52.1 -67.1 -31.1 25.5 76.5 -0.2 64 63 A L H <> S+ 0 0 4 -3,-0.9 4,-0.7 1,-0.2 -1,-0.2 0.869 106.6 53.5 -69.6 -36.9 25.6 77.5 3.4 65 64 A L H >X S+ 0 0 0 -4,-1.1 3,-0.8 1,-0.2 4,-0.6 0.872 102.5 60.0 -61.0 -37.5 28.6 75.2 4.0 66 65 A K H >< S+ 0 0 116 -4,-1.7 3,-1.3 1,-0.3 -1,-0.2 0.886 96.3 59.2 -60.4 -36.4 30.4 77.0 1.2 67 66 A I H 3< S+ 0 0 49 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.787 104.7 52.4 -61.6 -29.0 30.1 80.3 3.1 68 67 A C H X< S+ 0 0 0 -3,-0.8 3,-0.9 -4,-0.7 -1,-0.3 0.600 85.8 111.4 -82.3 -12.2 32.1 78.6 5.9 69 68 A E T << S+ 0 0 85 -3,-1.3 3,-0.1 -4,-0.6 -3,-0.0 -0.313 75.5 21.7 -68.8 146.8 34.9 77.4 3.6 70 69 A G T 3 S+ 0 0 83 1,-0.3 2,-0.3 3,-0.1 -1,-0.2 0.690 99.3 113.2 72.6 20.6 38.4 79.0 3.9 71 70 A K S < S- 0 0 67 -3,-0.9 2,-2.1 2,-0.1 177,-0.3 -0.919 80.4-113.5-123.0 150.5 37.8 80.2 7.5 72 71 A N S S+ 0 0 96 -22,-0.4 -20,-2.4 -2,-0.3 2,-0.3 -0.586 70.7 157.2 -76.7 82.3 39.3 79.2 10.8 73 72 A I E -c 52 0A 4 -2,-2.1 2,-0.6 -22,-0.2 175,-0.5 -0.857 52.1-146.7-128.0 142.8 35.9 77.8 11.8 74 73 A I E -cD 53 247A 20 -22,-2.3 -20,-2.7 -2,-0.3 2,-0.5 -0.960 26.4-151.5-100.3 117.0 34.0 75.3 14.1 75 74 A L E -cD 54 246A 0 171,-3.2 171,-2.0 -2,-0.6 -20,-0.2 -0.819 9.7-167.0 -88.5 127.3 31.0 74.0 12.2 76 75 A V E -c 55 0A 1 -22,-3.3 -20,-2.4 -2,-0.5 2,-0.3 -0.898 7.7-151.7-121.3 103.4 28.2 72.9 14.5 77 76 A P E -c 56 0A 13 0, 0.0 167,-0.2 0, 0.0 -20,-0.1 -0.538 9.4-149.0 -74.4 134.1 25.4 70.9 12.9 78 77 A Q S S+ 0 0 66 -22,-2.3 2,-0.3 -2,-0.3 -21,-0.1 0.844 80.4 6.1 -65.3 -34.6 21.9 71.2 14.4 79 78 A N S >> S- 0 0 54 -23,-0.3 4,-1.7 -21,-0.1 3,-0.5 -0.886 81.0 -96.0-147.3 172.2 21.2 67.6 13.4 80 79 A Q H 3> S+ 0 0 90 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.745 115.7 65.2 -66.9 -24.2 22.6 64.4 11.9 81 80 A A H 3> S+ 0 0 46 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.887 104.3 46.4 -66.3 -40.3 21.3 65.3 8.4 82 81 A W H <> S+ 0 0 0 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.937 110.8 52.2 -64.3 -45.1 23.7 68.2 8.4 83 82 A S H X S+ 0 0 1 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.888 107.7 52.1 -57.3 -41.7 26.6 66.0 9.7 84 83 A D H X S+ 0 0 88 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.860 110.7 47.8 -64.6 -37.4 26.0 63.5 6.9 85 84 A L H X S+ 0 0 23 -4,-1.5 4,-2.9 2,-0.2 5,-0.3 0.922 110.8 50.6 -69.7 -44.8 26.1 66.3 4.3 86 85 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.3 0.942 114.7 43.7 -55.7 -48.7 29.3 67.8 5.8 87 86 A E H X S+ 0 0 84 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.893 115.2 49.1 -67.9 -40.3 31.0 64.3 5.8 88 87 A E H < S+ 0 0 145 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.915 115.5 41.8 -62.9 -48.9 29.7 63.5 2.3 89 88 A V H < S+ 0 0 48 -4,-2.9 -2,-0.2 1,-0.1 -1,-0.2 0.873 128.7 25.5 -69.2 -38.0 30.8 66.8 0.7 90 89 A Y H >< S+ 0 0 44 -4,-2.2 3,-3.3 -5,-0.3 -3,-0.2 0.562 75.3 177.9-110.9 -12.1 34.3 67.1 2.4 91 90 A G G >< S+ 0 0 41 -4,-2.0 3,-1.1 -5,-0.3 -1,-0.2 -0.168 79.8 3.2 49.4-122.2 35.4 63.6 3.3 92 91 A D G 3 S+ 0 0 162 1,-0.3 -1,-0.3 3,-0.0 -5,-0.0 0.494 116.9 84.2 -74.2 -4.6 38.9 63.8 4.8 93 92 A G G < S+ 0 0 28 -3,-3.3 156,-2.0 -6,-0.1 2,-0.4 0.393 86.7 60.9 -76.9 -1.7 38.7 67.7 4.5 94 93 A V E < S-E 248 0A 17 -3,-1.1 2,-0.5 154,-0.3 154,-0.2 -0.984 72.0-145.3-126.3 140.8 36.9 67.9 7.9 95 94 A R E -E 247 0A 106 152,-3.2 152,-1.8 -2,-0.4 2,-0.4 -0.944 18.8-147.7-102.1 125.8 38.0 66.7 11.3 96 95 A F E +E 246 0A 100 -2,-0.5 2,-0.3 150,-0.2 150,-0.2 -0.766 30.7 151.6 -94.4 135.8 35.1 65.4 13.4 97 96 A F E -E 245 0A 19 148,-2.7 148,-2.6 -2,-0.4 2,-0.4 -0.945 38.8-105.6-157.5 172.8 35.2 65.9 17.1 98 97 A T E -E 244 0A 53 -2,-0.3 2,-0.3 146,-0.2 146,-0.2 -0.912 23.7-174.0-115.8 130.6 33.0 66.3 20.3 99 98 A R E -E 243 0A 14 144,-2.4 144,-3.1 -2,-0.4 2,-0.5 -0.737 21.7-128.4-112.4 165.6 32.3 69.5 22.3 100 99 A Y E -EF 242 223A 40 123,-2.6 123,-2.5 -2,-0.3 142,-0.2 -0.959 12.7-154.8-127.9 114.3 30.4 69.6 25.5 101 100 A A E -EF 241 222A 8 140,-2.7 139,-2.9 -2,-0.5 140,-0.6 -0.540 13.8-147.6 -80.1 151.3 27.6 72.0 26.2 102 101 A T E -E 239 0A 1 119,-0.7 137,-0.2 137,-0.3 2,-0.1 -0.817 26.3 -92.6-118.5 158.5 26.8 73.0 29.7 103 102 A K - 0 0 88 135,-2.9 3,-0.4 -2,-0.3 135,-0.3 -0.426 25.5-142.8 -67.8 144.2 23.5 73.8 31.4 104 103 A K S S+ 0 0 45 1,-0.2 -1,-0.1 -2,-0.1 133,-0.0 0.278 87.9 76.1 -92.8 9.5 22.6 77.5 31.3 105 104 A D + 0 0 120 133,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.098 69.7 169.6-109.3 33.8 20.9 77.5 34.8 106 105 A T - 0 0 26 -3,-0.4 2,-0.7 1,-0.1 131,-0.1 -0.127 28.9-152.3 -55.4 132.8 24.2 77.4 36.8 107 106 A E - 0 0 182 129,-0.4 2,-0.3 2,-0.0 -1,-0.1 -0.940 21.2-156.3-103.2 110.2 24.3 77.9 40.5 108 107 A F - 0 0 33 -2,-0.7 2,-1.0 101,-0.0 128,-0.1 -0.678 14.7-135.9 -89.9 145.7 27.7 79.4 41.3 109 108 A D > - 0 0 101 -2,-0.3 4,-2.3 126,-0.2 5,-0.2 -0.857 18.3-169.0 -99.2 97.1 29.4 79.2 44.7 110 109 A L H > S+ 0 0 98 -2,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.810 83.9 54.2 -59.0 -33.5 30.6 82.7 45.1 111 110 A G H > S+ 0 0 50 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.935 110.3 46.7 -64.9 -47.0 32.8 81.7 48.1 112 111 A H H > S+ 0 0 68 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.893 112.0 50.3 -59.4 -45.3 34.5 79.0 46.2 113 112 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.907 109.0 50.9 -64.8 -43.6 35.1 81.2 43.2 114 113 A Q H X S+ 0 0 80 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.884 106.4 55.7 -63.0 -38.6 36.6 83.9 45.3 115 114 A K H X S+ 0 0 55 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.903 106.0 51.1 -58.9 -41.9 39.0 81.4 46.9 116 115 A L H < S+ 0 0 21 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.894 112.3 46.5 -61.3 -41.3 40.2 80.3 43.5 117 116 A V H >< S+ 0 0 13 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.959 112.7 49.9 -64.0 -48.3 40.9 84.0 42.7 118 117 A D H 3< S+ 0 0 109 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.830 100.0 65.8 -59.1 -35.2 42.6 84.5 46.1 119 118 A D T 3< S+ 0 0 110 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.425 70.3 118.5 -71.2 0.1 44.8 81.4 45.6 120 119 A L S < S- 0 0 30 -3,-1.7 6,-0.1 -5,-0.1 79,-0.1 -0.590 75.2-111.4 -67.2 123.3 46.6 83.1 42.7 121 120 A P > - 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0 0 87 135,-2.7 3,-0.3 -2,-0.3 135,-0.3 -0.408 24.9-143.0 -66.5 145.3 11.2 113.1 26.9 354 103 B K S S+ 0 0 49 1,-0.2 -1,-0.1 -2,-0.1 133,-0.0 0.271 89.4 73.6 -96.1 11.5 12.4 109.6 27.6 355 104 B D S S+ 0 0 124 2,-0.1 -1,-0.2 0, 0.0 -2,-0.1 -0.277 71.1 170.5-115.3 42.0 14.3 110.6 30.8 356 105 B T - 0 0 26 -3,-0.3 2,-0.6 1,-0.1 131,-0.1 -0.248 27.4-151.7 -63.5 135.7 11.2 111.0 32.9 357 106 B E - 0 0 89 129,-0.4 2,-0.4 2,-0.0 -1,-0.1 -0.957 21.6-152.8-102.5 119.1 11.5 111.5 36.7 358 107 B F - 0 0 34 -2,-0.6 2,-1.1 101,-0.0 128,-0.1 -0.779 14.0-136.5 -98.3 140.1 8.3 110.2 38.3 359 108 B D > - 0 0 101 -2,-0.4 4,-2.7 126,-0.3 5,-0.2 -0.793 20.5-171.3 -92.3 96.7 6.7 111.3 41.6 360 109 B L H > S+ 0 0 94 -2,-1.1 4,-2.7 1,-0.2 5,-0.2 0.821 82.8 53.7 -57.7 -38.3 5.8 108.0 43.1 361 110 B G H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.914 111.1 46.9 -65.1 -41.7 3.9 109.5 46.0 362 111 B H H > S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.934 114.6 45.9 -63.6 -49.0 1.8 111.5 43.5 363 112 B L H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.905 113.8 48.1 -63.6 -40.2 1.2 108.5 41.3 364 113 B Q H X S+ 0 0 74 -4,-2.7 4,-3.2 1,-0.2 -1,-0.2 0.900 109.3 55.1 -69.8 -34.5 0.3 106.3 44.2 365 114 B K H X S+ 0 0 118 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.912 106.1 51.1 -59.1 -45.9 -2.0 109.0 45.5 366 115 B L H X S+ 0 0 32 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.916 113.4 44.9 -60.0 -42.9 -3.8 109.0 42.1 367 116 B V H >< S+ 0 0 15 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.944 113.7 49.8 -63.6 -50.7 -4.3 105.3 42.4 368 117 B D H 3< S+ 0 0 109 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.754 101.5 62.9 -61.5 -28.9 -5.3 105.5 46.0 369 118 B D H 3< S+ 0 0 96 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.639 71.6 123.8 -74.0 -14.0 -7.9 108.2 45.4 370 119 B L S << S- 0 0 29 -3,-1.2 6,-0.1 -4,-0.5 79,-0.1 -0.222 72.4-102.1 -49.5 126.0 -10.0 106.0 43.1 371 120 B P > - 0 0 70 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.084 33.4-101.6 -53.7 156.0 -13.6 105.8 44.5 372 121 B E T 3 S+ 0 0 105 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.764 115.6 51.3 -52.3 -41.7 -14.8 102.7 46.4 373 122 B S T 3 S+ 0 0 64 2,-0.0 45,-0.6 44,-0.0 2,-0.6 0.487 91.2 91.5 -81.0 0.6 -16.8 100.9 43.7 374 123 B F E < -Q 417 0D 25 -3,-1.9 2,-0.5 43,-0.1 43,-0.2 -0.872 62.2-158.4-103.0 121.6 -14.0 101.1 41.1 375 124 B D E -Q 416 0D 76 41,-2.9 41,-2.7 -2,-0.6 2,-0.4 -0.876 3.5-151.6-108.9 118.2 -11.6 98.1 41.1 376 125 B X E +Q 415 0D 44 -2,-0.5 2,-0.3 39,-0.2 39,-0.2 -0.721 25.1 169.1 -87.4 128.6 -8.1 98.4 39.6 377 126 B K E -Q 414 0D 105 37,-3.0 37,-2.5 -2,-0.4 2,-0.2 -0.995 36.4-113.6-141.9 148.5 -6.7 95.1 38.2 378 127 B L E -Q 413 0D 85 -2,-0.3 2,-0.4 35,-0.2 35,-0.3 -0.581 46.4-103.2 -75.3 143.0 -3.7 93.9 36.1 379 128 B I + 0 0 14 33,-2.1 33,-0.3 -2,-0.2 2,-0.2 -0.554 51.7 175.0 -70.8 120.1 -4.8 92.5 32.8 380 129 B D > - 0 0 75 -2,-0.4 4,-2.6 31,-0.1 5,-0.2 -0.492 50.4 -70.3-113.8-172.8 -4.6 88.8 33.0 381 130 B R H > S+ 0 0 124 1,-0.2 4,-1.2 2,-0.2 -2,-0.1 0.870 132.4 40.5 -48.1 -48.8 -5.6 86.0 30.6 382 131 B N H > S+ 0 0 115 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.927 114.1 50.2 -70.9 -45.3 -9.3 86.6 31.0 383 132 B L H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.798 102.1 64.2 -65.5 -29.6 -9.2 90.4 31.0 384 133 B Y H X S+ 0 0 11 -4,-2.6 4,-0.9 2,-0.2 3,-0.3 0.981 106.7 42.8 -52.7 -52.7 -7.1 90.3 27.8 385 134 B E H >X S+ 0 0 100 -4,-1.2 4,-0.7 1,-0.2 3,-0.7 0.876 110.7 56.9 -64.0 -37.0 -10.0 88.7 26.0 386 135 B T H >X S+ 0 0 60 -4,-2.0 3,-1.1 1,-0.2 4,-0.7 0.895 101.4 55.2 -59.6 -39.4 -12.4 91.2 27.7 387 136 B C H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 -3,-0.3 -2,-0.2 0.741 105.3 55.3 -67.8 -20.6 -10.4 94.1 26.3 388 137 B L H << S+ 0 0 46 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.649 91.6 74.6 -84.4 -16.4 -11.0 92.6 22.8 389 138 B V H << S+ 0 0 103 -3,-1.1 2,-0.3 -4,-0.7 -2,-0.2 0.948 96.5 41.4 -62.5 -54.3 -14.8 92.5 23.2 390 139 B E S >X S- 0 0 90 -4,-0.7 4,-0.6 1,-0.1 3,-0.6 -0.705 78.8-130.5 -98.8 150.0 -15.6 96.2 22.7 391 140 B E G >4 S+ 0 0 153 -2,-0.3 3,-0.7 1,-0.2 4,-0.4 0.822 101.3 65.4 -65.9 -32.9 -13.9 98.4 20.2 392 141 B W G 34 S+ 0 0 49 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.823 110.3 35.9 -62.9 -31.5 -13.1 101.2 22.7 393 142 B S G X4 S+ 0 0 2 -3,-0.6 3,-1.6 -6,-0.2 4,-0.4 0.466 87.9 99.5-100.8 -4.3 -10.7 98.9 24.6 394 143 B R G XX S+ 0 0 76 -3,-0.7 4,-3.1 -4,-0.6 3,-1.2 0.791 74.3 59.5 -59.4 -34.4 -9.1 96.9 21.8 395 144 B D G 34 S+ 0 0 35 -4,-0.4 4,-0.3 1,-0.3 -1,-0.3 0.645 88.4 75.6 -72.0 -13.7 -5.9 98.8 21.4 396 145 B L G <4 S- 0 0 0 -3,-1.6 -1,-0.3 -9,-0.2 31,-0.2 0.800 126.9 -4.6 -61.9 -31.3 -5.0 98.1 25.0 397 146 B V T X4 S+ 0 0 0 -3,-1.2 3,-1.7 -4,-0.4 -2,-0.2 0.484 107.4 98.8-136.2 -11.2 -4.1 94.5 23.9 398 147 B G T 3< S+ 0 0 4 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.1 0.460 72.3 66.3 -69.4 -9.2 -5.0 94.1 20.2 399 148 B N T 3 S+ 0 0 8 -4,-0.3 -1,-0.3 28,-0.2 2,-0.3 0.526 83.4 91.6 -86.6 -6.8 -1.5 94.6 18.8 400 149 B Y S < S- 0 0 2 -3,-1.7 3,-0.1 1,-0.1 -3,-0.1 -0.635 83.1-126.8 -88.5 145.6 -0.3 91.4 20.4 401 150 B I S S- 0 0 95 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.902 82.0 -25.0 -61.6 -42.7 -0.6 88.2 18.2 402 151 B D S > S- 0 0 69 -5,-0.0 4,-2.0 -3,-0.0 3,-0.3 -0.916 77.8 -79.6-158.0 179.9 -2.5 86.4 20.9 403 152 B V H > S+ 0 0 17 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.806 123.6 57.2 -58.7 -33.2 -3.0 86.3 24.7 404 153 B E H > S+ 0 0 100 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.893 106.7 47.3 -69.6 -40.8 0.3 84.4 25.2 405 154 B Q H >>S+ 0 0 36 -3,-0.3 4,-3.0 2,-0.2 5,-0.5 0.893 113.4 50.1 -67.5 -35.9 2.3 87.1 23.5 406 155 B F H X5S+ 0 0 3 -4,-2.0 4,-2.6 3,-0.2 -2,-0.2 0.945 112.5 45.2 -65.7 -47.8 0.5 89.8 25.6 407 156 B L H <5S+ 0 0 68 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.857 119.2 44.2 -62.8 -36.1 1.1 87.9 28.9 408 157 B D H <5S+ 0 0 125 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.950 134.9 10.4 -72.1 -50.9 4.7 87.4 27.9 409 158 B L H <5S+ 0 0 58 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.632 113.0 73.5-109.0 -18.9 5.6 90.8 26.5 410 159 B G << - 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