==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-JUN-11 3SGC . COMPND 2 MOLECULE: APH(2'')-ID; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS CASSELIFLAVUS; . AUTHOR K.SHI,D.R.HOUSTON,A.M.BERGHUIS . 296 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15693.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 18 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 40.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 1 1 0 0 0 0 1 2 0 0 0 1 1 1 0 0 1 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 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 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 1 A M 0 0 120 0, 0.0 49,-0.2 0, 0.0 48,-0.0 0.000 360.0 360.0 360.0 -26.6 -17.4 8.1 -24.1 2 2 A R - 0 0 107 47,-2.1 2,-0.3 1,-0.1 48,-0.0 -0.092 360.0-162.9 -65.5 148.9 -17.1 7.9 -20.4 3 3 A T - 0 0 111 32,-0.0 2,-0.4 2,-0.0 -1,-0.1 -0.902 2.4-154.1-126.6 149.1 -16.4 10.9 -18.0 4 4 A Y - 0 0 35 -2,-0.3 2,-0.2 43,-0.1 43,-0.0 -0.986 6.8-146.8-127.3 145.3 -15.2 11.1 -14.4 5 5 A T > - 0 0 75 -2,-0.4 4,-1.9 1,-0.1 3,-0.2 -0.610 33.7-113.4 -87.4 162.7 -15.5 13.7 -11.5 6 6 A F H > S+ 0 0 90 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.888 118.7 58.4 -62.6 -37.2 -12.6 14.1 -9.0 7 7 A D H > S+ 0 0 125 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.870 105.3 48.3 -60.0 -43.3 -14.9 12.6 -6.3 8 8 A Q H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.913 110.3 52.4 -61.2 -42.8 -15.4 9.4 -8.4 9 9 A V H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.941 112.1 44.5 -60.1 -49.8 -11.6 9.1 -8.9 10 10 A E H X S+ 0 0 63 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.871 112.1 52.3 -63.9 -36.9 -10.9 9.4 -5.2 11 11 A K H X S+ 0 0 122 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.879 108.8 50.2 -67.8 -34.4 -13.7 7.0 -4.2 12 12 A A H X S+ 0 0 22 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.892 112.4 47.2 -73.0 -37.5 -12.5 4.3 -6.6 13 13 A I H >X S+ 0 0 1 -4,-1.8 4,-2.8 -5,-0.2 3,-0.5 0.942 110.8 51.8 -67.1 -48.4 -8.9 4.6 -5.2 14 14 A E H 3< S+ 0 0 124 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.777 100.4 63.6 -57.8 -30.5 -10.1 4.5 -1.5 15 15 A Q H 3< S+ 0 0 132 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.927 118.8 24.0 -64.3 -42.0 -12.1 1.4 -2.1 16 16 A L H << S+ 0 0 64 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.732 135.3 35.0 -95.1 -23.8 -9.0 -0.6 -2.9 17 17 A Y >< + 0 0 67 -4,-2.8 3,-1.1 -5,-0.2 -1,-0.2 -0.702 64.6 167.0-131.5 77.5 -6.4 1.5 -1.0 18 18 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.644 75.6 49.6 -78.5 -10.1 -8.1 2.8 2.1 19 19 A D T 3 S+ 0 0 149 2,-0.1 2,-0.9 -5,-0.0 -5,-0.1 0.356 79.5 107.5-109.9 7.3 -4.9 4.1 3.8 20 20 A F < - 0 0 49 -3,-1.1 2,-0.7 -7,-0.1 -3,-0.1 -0.748 63.8-148.9 -72.8 104.5 -3.6 6.0 0.8 21 21 A T - 0 0 100 -2,-0.9 2,-0.6 19,-0.0 -2,-0.1 -0.691 3.8-152.0 -79.8 113.0 -4.1 9.6 1.9 22 22 A I + 0 0 34 -2,-0.7 3,-0.1 1,-0.2 17,-0.0 -0.809 24.5 166.3 -81.8 116.3 -4.7 11.8 -1.3 23 23 A N + 0 0 124 -2,-0.6 2,-0.4 1,-0.3 -1,-0.2 0.782 66.9 20.2-100.6 -38.6 -3.5 15.3 -0.5 24 24 A T + 0 0 55 2,-0.0 16,-2.1 0, 0.0 -1,-0.3 -0.986 61.9 176.4-133.8 144.4 -3.4 16.8 -3.9 25 25 A I E +A 39 0A 34 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.956 10.9 152.6-149.0 134.3 -5.2 15.8 -7.2 26 26 A E E -A 38 0A 76 12,-1.5 12,-2.4 -2,-0.3 2,-0.5 -0.944 46.3-102.7-152.9 161.3 -5.2 17.4 -10.6 27 27 A I E +A 37 0A 90 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.814 31.1 179.3 -93.6 120.7 -5.7 16.4 -14.2 28 28 A S E - 0 0 65 8,-2.0 2,-0.3 -2,-0.5 9,-0.2 0.645 61.1 -27.2 -94.0 -20.2 -2.3 16.2 -15.9 29 29 A G E -A 36 0A 29 7,-1.5 7,-3.2 2,-0.0 -1,-0.3 -0.976 45.0-140.4-175.8 165.2 -3.6 15.1 -19.3 30 30 A E E +A 35 0A 126 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.929 19.4 174.4-143.1 131.9 -6.1 13.3 -21.4 31 31 A G - 0 0 43 3,-2.4 -2,-0.0 -2,-0.3 5,-0.0 -0.271 53.8 -79.8-109.9-161.3 -5.6 11.1 -24.5 32 32 A N S S+ 0 0 71 1,-0.1 21,-0.1 -2,-0.1 3,-0.1 0.810 126.2 32.3 -75.6 -24.2 -8.0 9.0 -26.6 33 33 A D S S+ 0 0 37 1,-0.2 16,-3.2 20,-0.1 17,-0.4 0.830 121.2 14.8 -96.9 -40.7 -8.0 6.1 -24.1 34 34 A C E - B 0 48A 11 14,-0.3 -3,-2.4 15,-0.1 2,-0.4 -0.952 55.8-128.7-142.5 150.5 -7.6 7.6 -20.6 35 35 A I E -AB 30 47A 12 12,-2.4 12,-2.3 -2,-0.3 2,-0.4 -0.844 32.2-143.7 -94.1 143.1 -7.7 10.6 -18.4 36 36 A A E -AB 29 46A 17 -7,-3.2 -8,-2.0 -2,-0.4 -7,-1.5 -0.915 13.7-168.1-115.7 137.5 -4.5 11.1 -16.3 37 37 A Y E -AB 27 45A 2 8,-2.6 8,-3.0 -2,-0.4 2,-0.6 -0.978 15.3-142.0-125.4 131.3 -4.5 12.5 -12.8 38 38 A E E -AB 26 44A 17 -12,-2.4 -12,-1.5 -2,-0.4 2,-0.5 -0.863 22.0-164.0 -95.2 126.4 -1.5 13.5 -10.8 39 39 A I E >> -AB 25 43A 0 4,-2.8 3,-2.4 -2,-0.6 4,-2.0 -0.923 65.3 -16.0-121.5 122.2 -1.8 12.5 -7.2 40 40 A N T 34 S- 0 0 22 -16,-2.1 -1,-0.2 -2,-0.5 -15,-0.1 0.712 107.5 -81.6 61.8 25.6 0.3 13.9 -4.3 41 41 A R T 34 S+ 0 0 147 2,-0.2 -1,-0.3 -17,-0.2 3,-0.1 0.675 128.2 81.1 54.0 19.1 2.8 15.3 -6.9 42 42 A D T <4 S+ 0 0 89 -3,-2.4 55,-1.7 1,-0.3 2,-0.3 0.661 83.7 38.9-122.2 -33.0 4.0 11.6 -6.8 43 43 A F E < -BC 39 96A 37 -4,-2.0 -4,-2.8 53,-0.2 2,-0.5 -0.957 57.4-141.9-132.2 145.9 1.9 9.3 -8.9 44 44 A I E -BC 38 95A 37 51,-2.2 51,-2.6 -2,-0.3 2,-0.5 -0.950 21.0-165.2-103.4 123.4 0.0 9.4 -12.3 45 45 A F E -BC 37 94A 0 -8,-3.0 -8,-2.6 -2,-0.5 2,-0.5 -0.964 2.5-159.5-108.8 131.2 -3.3 7.6 -12.2 46 46 A K E -BC 36 93A 37 47,-2.5 47,-1.5 -2,-0.5 -10,-0.2 -0.941 6.0-170.6-111.5 136.1 -5.0 6.7 -15.5 47 47 A F E -B 35 0A 2 -12,-2.3 -12,-2.4 -2,-0.5 45,-0.2 -0.980 24.4-122.2-125.4 128.8 -8.7 6.0 -15.8 48 48 A P E -B 34 0A 0 0, 0.0 -14,-0.3 0, 0.0 -15,-0.1 -0.410 9.3-155.6 -75.6 151.2 -10.1 4.6 -18.9 49 49 A K S S+ 0 0 27 -16,-3.2 -47,-2.1 -2,-0.1 2,-0.3 0.402 75.8 3.4 -97.4 -5.4 -12.8 6.3 -21.0 50 50 A H S > S- 0 0 38 -17,-0.4 4,-2.0 -49,-0.2 5,-0.2 -0.977 84.3 -85.6-172.1 170.7 -14.1 3.1 -22.7 51 51 A S H > S+ 0 0 56 -2,-0.3 4,-2.3 1,-0.2 38,-0.3 0.893 121.5 50.5 -60.0 -46.9 -13.7 -0.6 -23.0 52 52 A R H > S+ 0 0 146 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.910 110.5 49.4 -57.1 -45.3 -10.9 -0.6 -25.5 53 53 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.854 109.0 53.6 -67.0 -34.6 -8.8 1.9 -23.4 54 54 A S H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.898 109.1 48.0 -63.1 -44.0 -9.3 -0.2 -20.4 55 55 A T H X S+ 0 0 61 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.913 112.2 49.2 -63.9 -44.5 -8.0 -3.2 -22.3 56 56 A N H X S+ 0 0 57 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.885 111.5 50.3 -60.9 -38.0 -5.0 -1.2 -23.5 57 57 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.933 108.6 51.9 -67.3 -42.3 -4.4 -0.0 -19.8 58 58 A F H X S+ 0 0 57 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.954 112.5 45.5 -57.0 -48.5 -4.5 -3.6 -18.6 59 59 A N H X S+ 0 0 28 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.866 110.7 53.1 -65.1 -37.3 -1.9 -4.6 -21.2 60 60 A E H X S+ 0 0 10 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.905 109.2 50.2 -63.1 -42.2 0.2 -1.6 -20.4 61 61 A V H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.937 111.7 46.5 -61.1 -49.1 0.2 -2.6 -16.7 62 62 A N H X S+ 0 0 68 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.897 111.8 52.0 -64.1 -37.3 1.2 -6.2 -17.4 63 63 A I H X S+ 0 0 2 -4,-2.4 4,-2.0 -5,-0.2 5,-0.2 0.973 110.4 48.2 -60.4 -54.8 4.0 -5.1 -19.8 64 64 A L H X S+ 0 0 3 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.889 110.7 50.5 -53.4 -43.4 5.4 -2.7 -17.1 65 65 A K H < S+ 0 0 106 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.907 110.9 49.0 -63.8 -42.2 5.3 -5.4 -14.4 66 66 A R H < S+ 0 0 118 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.813 117.3 40.0 -67.4 -33.7 7.1 -7.9 -16.6 67 67 A I H >< S+ 0 0 0 -4,-2.0 3,-2.1 -5,-0.2 4,-0.4 0.412 83.3 127.5 -99.9 -0.0 9.9 -5.4 -17.7 68 68 A H T 3< S+ 0 0 77 -4,-1.0 9,-0.1 -3,-0.5 -3,-0.0 -0.329 87.2 3.0 -52.5 128.7 10.2 -3.9 -14.1 69 69 A N T 3 S+ 0 0 140 1,-0.1 -1,-0.3 6,-0.1 -2,-0.0 0.758 108.9 97.1 58.2 25.4 13.9 -4.1 -13.3 70 70 A K S < S+ 0 0 106 -3,-2.1 -2,-0.2 63,-0.0 -1,-0.1 0.422 70.2 73.5-110.0 -6.0 14.9 -5.6 -16.6 71 71 A L S S- 0 0 24 -4,-0.4 55,-0.1 2,-0.1 -2,-0.1 -0.851 76.1-128.3-119.3 154.8 16.0 -2.3 -18.3 72 72 A P S S+ 0 0 32 0, 0.0 54,-0.1 0, 0.0 -1,-0.1 0.399 92.3 55.3 -85.9 5.3 19.0 0.0 -18.0 73 73 A L S S- 0 0 19 53,-0.1 -2,-0.1 50,-0.0 141,-0.1 -0.964 96.3 -97.6-126.2 154.3 17.0 3.3 -17.5 74 74 A P - 0 0 77 0, 0.0 141,-1.8 0, 0.0 24,-0.0 -0.323 44.7-178.5 -64.3 147.8 14.2 4.0 -14.9 75 75 A I - 0 0 21 139,-0.2 141,-0.2 -4,-0.1 -6,-0.1 -0.914 40.3 -70.7-141.2 163.4 10.7 3.4 -16.2 76 76 A P - 0 0 12 0, 0.0 2,-0.4 0, 0.0 21,-0.1 -0.314 46.0-145.7 -61.9 140.4 7.3 3.9 -14.6 77 77 A E - 0 0 86 -9,-0.1 19,-2.0 19,-0.0 2,-0.8 -0.861 16.3-123.7-103.3 140.6 6.5 1.3 -11.8 78 78 A V E +D 95 0A 20 -2,-0.4 17,-0.2 17,-0.2 3,-0.1 -0.796 41.0 163.2 -88.0 111.0 2.9 0.1 -11.4 79 79 A V E + 0 0 55 15,-2.2 2,-0.4 -2,-0.8 16,-0.2 0.605 64.9 32.8-102.9 -20.3 2.3 0.9 -7.6 80 80 A F E -D 94 0A 12 14,-2.1 14,-2.7 -63,-0.0 2,-0.4 -0.999 63.7-177.2-138.1 135.9 -1.6 0.8 -7.7 81 81 A T E -D 93 0A 33 -2,-0.4 12,-0.2 12,-0.2 2,-0.1 -0.998 12.6-147.8-134.4 140.7 -3.9 -1.4 -9.8 82 82 A G - 0 0 3 10,-2.5 -69,-0.0 -2,-0.4 12,-0.0 -0.076 24.5-102.0 -89.2-166.7 -7.6 -1.4 -10.0 83 83 A M - 0 0 116 1,-0.1 8,-1.1 7,-0.1 7,-0.1 -0.828 36.4 -86.3-120.9 155.9 -10.0 -4.3 -10.6 84 84 A P - 0 0 82 0, 0.0 5,-0.3 0, 0.0 2,-0.2 -0.202 45.5-162.1 -52.1 148.4 -12.1 -5.6 -13.6 85 85 A S - 0 0 57 3,-4.1 0, 0.0 5,-0.0 0, 0.0 -0.697 43.0 -73.2-124.6-179.3 -15.6 -4.1 -14.1 86 86 A E S S- 0 0 111 1,-0.2 3,-0.0 -2,-0.2 0, 0.0 0.842 131.3 -4.7 -43.1 -46.4 -18.8 -5.0 -16.0 87 87 A T S S+ 0 0 88 1,-0.0 2,-0.5 -37,-0.0 -1,-0.2 0.330 120.0 88.3-127.2 0.8 -16.9 -4.0 -19.3 88 88 A Y - 0 0 23 1,-0.1 -3,-4.1 -34,-0.1 3,-0.2 -0.901 53.4-162.5-112.8 124.8 -13.6 -2.7 -18.1 89 89 A Q S S+ 0 0 84 -2,-0.5 2,-0.4 -38,-0.3 -1,-0.1 0.741 88.5 21.0 -74.4 -23.0 -10.6 -5.0 -17.5 90 90 A M - 0 0 14 -7,-0.1 -1,-0.3 -6,-0.1 -32,-0.1 -0.939 66.6-159.6-148.7 109.1 -8.7 -2.6 -15.3 91 91 A S S S- 0 0 31 -8,-1.1 2,-0.3 -2,-0.4 -1,-0.1 0.767 72.8 -33.0 -67.3 -27.5 -10.7 0.2 -13.6 92 92 A F - 0 0 1 -45,-0.2 -10,-2.5 -38,-0.1 2,-0.3 -0.928 54.2-146.8-172.7 165.3 -7.5 2.4 -13.2 93 93 A A E -CD 46 81A 0 -47,-1.5 -47,-2.5 -2,-0.3 2,-0.4 -0.988 6.6-149.7-143.3 152.9 -3.8 2.1 -12.5 94 94 A G E -CD 45 80A 0 -14,-2.7 -15,-2.2 -2,-0.3 -14,-2.1 -0.979 17.1-174.9-122.8 133.3 -1.3 4.3 -10.6 95 95 A F E -CD 44 78A 9 -51,-2.6 -51,-2.2 -2,-0.4 -17,-0.2 -0.899 33.6 -98.9-124.6 147.4 2.3 4.6 -11.6 96 96 A T E -C 43 0A 40 -19,-2.0 2,-0.7 -2,-0.3 -53,-0.2 -0.348 34.0-130.4 -57.2 148.6 5.3 6.3 -10.1 97 97 A K - 0 0 97 -55,-1.7 2,-0.1 -21,-0.1 -1,-0.1 -0.950 28.3-138.2 -99.1 104.3 6.0 9.7 -11.9 98 98 A I - 0 0 29 -2,-0.7 116,-0.1 1,-0.1 2,-0.1 -0.502 19.1-107.1 -71.3 140.2 9.7 9.5 -12.6 99 99 A K S S+ 0 0 83 -2,-0.1 2,-0.2 114,-0.1 -1,-0.1 -0.316 70.5 70.1 -60.3 144.2 11.9 12.6 -12.0 100 100 A G - 0 0 42 104,-0.1 106,-0.2 -2,-0.1 104,-0.1 -0.601 67.5 -95.4 131.7 162.5 13.2 14.6 -15.0 101 101 A V E -E 205 0B 66 104,-2.4 104,-3.0 -2,-0.2 112,-0.2 -0.843 50.4 -87.8-113.7 150.4 12.4 16.9 -18.0 102 102 A P E -E 204 0B 55 0, 0.0 2,-1.7 0, 0.0 102,-0.2 -0.321 33.7-125.8 -58.8 139.2 11.7 15.9 -21.6 103 103 A L - 0 0 0 100,-2.9 99,-0.1 97,-0.7 101,-0.1 -0.617 39.6-169.0 -80.0 77.2 14.9 15.7 -23.7 104 104 A T > - 0 0 49 -2,-1.7 4,-2.4 1,-0.1 5,-0.2 -0.218 35.5-112.1 -66.1 157.1 13.5 18.1 -26.4 105 105 A P H > S+ 0 0 26 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.932 121.3 56.1 -52.6 -46.4 15.4 18.4 -29.7 106 106 A L H > S+ 0 0 117 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.911 109.8 44.0 -48.9 -49.3 16.2 22.0 -28.6 107 107 A L H 4 S+ 0 0 54 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.906 113.3 50.7 -69.3 -40.1 17.8 20.7 -25.3 108 108 A L H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.923 107.7 53.1 -59.9 -48.5 19.7 17.9 -26.9 109 109 A N H 3< S+ 0 0 102 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.720 108.0 50.4 -65.4 -24.4 21.2 20.2 -29.5 110 110 A N T 3< S+ 0 0 119 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.474 88.5 108.5 -89.8 -5.7 22.5 22.6 -26.8 111 111 A L S < S- 0 0 19 -3,-1.4 5,-0.1 -4,-0.4 -3,-0.0 -0.424 87.0 -93.8 -67.4 149.6 24.2 19.8 -24.9 112 112 A P > - 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H 0 192C 7 -32,-2.4 -32,-2.5 -2,-0.7 3,-0.0 -0.685 67.4 -31.4-159.6-160.5 6.0 -5.2 -33.3 225 225 A D > - 0 0 6 -2,-0.2 3,-2.5 -34,-0.2 4,-0.3 -0.700 43.1-145.7 -84.0 117.3 8.8 -4.3 -35.5 226 226 A P T > S+ 0 0 23 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.837 96.5 70.1 -50.7 -35.9 11.9 -3.1 -33.5 227 227 A D T >> S+ 0 0 11 1,-0.2 4,-2.0 2,-0.2 3,-1.3 0.740 83.1 74.1 -51.0 -23.5 12.7 -0.7 -36.4 228 228 A N H <> S+ 0 0 48 -3,-2.5 4,-1.3 1,-0.3 -1,-0.2 0.771 87.0 59.6 -65.4 -26.6 9.7 1.4 -35.3 229 229 A D H <4 S+ 0 0 0 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.582 109.1 43.2 -78.4 -17.6 11.4 2.7 -32.2 230 230 A F H X> S+ 0 0 0 -3,-1.3 3,-2.1 -4,-0.4 4,-0.7 0.826 109.5 56.0 -87.2 -42.3 14.2 4.3 -34.4 231 231 A I H >< S+ 0 0 11 -4,-2.0 3,-0.6 1,-0.3 4,-0.4 0.820 98.7 61.6 -60.2 -32.1 11.8 5.8 -37.0 232 232 A S T 3< S+ 0 0 35 -4,-1.3 -1,-0.3 1,-0.2 -32,-0.2 0.576 109.2 43.4 -75.1 -6.7 9.8 7.7 -34.4 233 233 A L T <4 S+ 0 0 0 -3,-2.1 8,-2.0 -34,-0.1 7,-1.2 0.554 95.8 79.0-106.0 -13.9 12.9 9.6 -33.5 234 234 A M << + 0 0 0 -4,-0.7 8,-0.4 -3,-0.6 2,-0.3 0.642 59.1 107.3 -73.9 -20.0 14.2 10.4 -37.0 235 235 A E > - 0 0 58 -4,-0.4 4,-1.8 6,-0.2 6,-0.4 -0.430 57.3-152.9 -69.4 123.2 12.0 13.3 -38.1 236 236 A D T 4 S+ 0 0 102 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.811 84.7 59.2 -63.5 -32.8 14.0 16.5 -38.1 237 237 A D T 4 S+ 0 0 142 1,-0.2 -1,-0.2 -132,-0.0 -2,-0.0 0.958 128.8 3.9 -62.5 -51.8 11.2 19.0 -37.4 238 238 A E T 4 S+ 0 0 143 -133,-0.1 -2,-0.2 -134,-0.0 -38,-0.2 0.408 126.0 45.7-121.8 -2.1 10.1 17.6 -34.1 239 239 A E S < S- 0 0 31 -4,-1.8 -5,-0.1 -135,-0.1 -6,-0.1 -0.433 99.3 -75.1-126.3-155.7 12.4 14.8 -33.1 240 240 A Y - 0 0 11 -7,-1.2 4,-0.5 -2,-0.2 -6,-0.2 0.770 66.3-142.6 -86.8 -23.1 16.1 14.3 -33.1 241 241 A G > - 0 0 0 -8,-2.0 4,-2.2 -6,-0.4 -6,-0.2 -0.065 30.1 -56.0 89.8 166.2 16.7 13.8 -36.7 242 242 A M H > S+ 0 0 58 -8,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.825 122.3 54.5 -58.3 -46.6 18.9 11.6 -38.9 243 243 A E H > S+ 0 0 164 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.939 113.7 39.7 -61.5 -49.2 22.3 12.4 -37.6 244 244 A F H >> S+ 0 0 12 -4,-0.5 4,-1.8 1,-0.2 3,-0.8 0.909 113.0 54.8 -65.1 -45.9 21.6 11.6 -34.0 245 245 A V H 3X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.873 101.6 60.0 -59.2 -33.9 19.5 8.6 -34.8 246 246 A S H 3X S+ 0 0 41 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.859 103.7 50.9 -61.2 -33.9 22.4 7.2 -36.8 247 247 A K H S+ 0 0 0 -4,-3.1 5,-2.5 1,-0.2 4,-0.3 0.878 112.6 47.9 -53.6 -39.2 21.6 2.8 -34.6 250 250 A N H ><5S+ 0 0 101 -4,-2.0 3,-1.0 -5,-0.2 -2,-0.2 0.940 110.5 48.8 -72.8 -41.4 25.4 2.3 -34.6 251 251 A H H 3<5S+ 0 0 82 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.856 112.5 50.1 -60.4 -32.8 25.7 1.9 -30.8 252 252 A Y T 3<5S- 0 0 41 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.547 112.3-128.6 -84.7 -8.3 22.8 -0.7 -31.0 253 253 A K T < 5 - 0 0 141 -3,-1.0 -3,-0.2 -4,-0.3 -2,-0.1 0.897 32.1-169.0 62.3 47.6 24.8 -2.3 -33.9 254 254 A H < - 0 0 35 -5,-2.5 3,-0.3 1,-0.1 -1,-0.2 -0.427 12.8-155.9 -66.9 143.4 21.9 -2.4 -36.4 255 255 A K S S+ 0 0 185 1,-0.2 -1,-0.1 -2,-0.1 2,-0.1 0.628 81.8 37.5 -97.1 -18.2 22.8 -4.6 -39.4 256 256 A D >> + 0 0 72 1,-0.1 4,-1.2 2,-0.1 3,-0.7 -0.544 56.3 160.1-140.1 68.8 20.5 -3.1 -42.0 257 257 A I H 3> S+ 0 0 41 -3,-0.3 4,-2.2 1,-0.2 3,-0.3 0.877 74.3 64.4 -56.8 -41.4 20.2 0.7 -41.7 258 258 A P H 3> S+ 0 0 85 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.873 101.6 50.6 -52.1 -36.8 18.9 1.1 -45.3 259 259 A T H <> S+ 0 0 16 -3,-0.7 4,-2.4 2,-0.2 5,-0.2 0.863 106.6 55.8 -70.0 -33.0 15.8 -0.9 -44.3 260 260 A V H X S+ 0 0 0 -4,-1.2 4,-2.0 -3,-0.3 -1,-0.2 0.965 110.5 44.2 -60.7 -47.1 15.3 1.4 -41.3 261 261 A L H X S+ 0 0 50 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.850 110.0 55.0 -66.4 -39.9 15.4 4.4 -43.6 262 262 A E H X S+ 0 0 63 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.965 110.7 46.1 -57.7 -45.8 13.0 2.7 -46.2 263 263 A K H X S+ 0 0 15 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.877 111.5 52.5 -64.4 -35.4 10.5 2.1 -43.4 264 264 A Y H X S+ 0 0 39 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.929 109.1 49.7 -67.3 -42.6 10.9 5.7 -42.2 265 265 A R H X S+ 0 0 127 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.936 112.2 46.5 -61.7 -47.1 10.2 7.0 -45.7 266 266 A M H X S+ 0 0 16 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.920 112.4 51.5 -61.7 -41.5 7.1 4.9 -46.0 267 267 A K H X S+ 0 0 103 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.918 107.1 51.9 -62.9 -41.8 5.9 6.0 -42.5 268 268 A E H < S+ 0 0 90 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.889 115.7 42.4 -61.3 -38.6 6.4 9.8 -43.4 269 269 A K H >< S+ 0 0 123 -4,-1.8 3,-1.1 -5,-0.2 4,-0.5 0.910 111.6 55.9 -73.0 -42.3 4.3 9.3 -46.5 270 270 A Y H >X S+ 0 0 4 -4,-3.0 4,-1.8 1,-0.3 3,-1.6 0.836 90.7 71.8 -58.4 -40.4 1.8 7.1 -44.6 271 271 A W H 3X S+ 0 0 101 -4,-2.6 4,-2.2 1,-0.3 -1,-0.3 0.798 87.4 65.0 -44.9 -40.4 1.1 9.8 -42.0 272 272 A S H <> S+ 0 0 17 -3,-1.1 4,-1.0 -4,-0.4 -1,-0.3 0.886 106.6 43.0 -51.1 -43.1 -0.8 11.7 -44.7 273 273 A F H <> S+ 0 0 15 -3,-1.6 4,-2.1 -4,-0.5 -2,-0.2 0.832 109.1 56.0 -74.6 -35.5 -3.3 8.8 -44.7 274 274 A E H X>S+ 0 0 7 -4,-1.8 4,-2.9 1,-0.2 5,-0.5 0.870 104.4 55.9 -63.5 -34.4 -3.4 8.5 -40.9 275 275 A K H X5S+ 0 0 13 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.2 0.825 107.2 48.3 -68.4 -32.9 -4.4 12.3 -40.8 276 276 A I H X5S+ 0 0 0 -4,-1.0 4,-2.7 3,-0.2 5,-0.2 0.959 117.3 42.6 -62.6 -52.8 -7.4 11.6 -43.1 277 277 A I H X5S+ 0 0 5 -4,-2.1 4,-3.3 2,-0.2 -2,-0.2 0.961 125.4 31.7 -61.7 -58.0 -8.4 8.6 -40.8 278 278 A Y H X5S+ 0 0 69 -4,-2.9 4,-3.7 2,-0.2 6,-0.4 0.877 114.8 61.2 -70.8 -38.2 -7.9 10.1 -37.4 279 279 A G H XXS+ 0 0 0 -4,-1.0 5,-1.5 -5,-0.5 4,-0.6 0.932 114.9 35.9 -49.4 -49.5 -8.8 13.6 -38.8 280 280 A K H <5S+ 0 0 97 -4,-2.7 3,-0.5 3,-0.2 -2,-0.2 0.914 118.1 49.9 -69.2 -46.5 -12.2 12.1 -39.6 281 281 A E H <5S+ 0 0 101 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.901 123.5 31.1 -64.2 -37.2 -12.5 9.8 -36.5 282 282 A Y H <5S- 0 0 71 -4,-3.7 -1,-0.2 -5,-0.2 -2,-0.2 0.401 107.1-113.8-102.0 4.7 -11.6 12.6 -34.1 283 283 A G T <5 + 0 0 54 -4,-0.6 2,-1.1 -3,-0.5 -3,-0.2 0.806 62.6 147.9 69.7 26.2 -13.0 15.8 -35.8 284 284 A Y >< - 0 0 99 -5,-1.5 4,-1.9 -6,-0.4 -1,-0.2 -0.818 21.6-179.5 -93.3 96.0 -9.6 17.4 -36.5 285 285 A M H > S+ 0 0 88 -2,-1.1 4,-2.2 1,-0.2 5,-0.2 0.724 75.6 62.8 -74.1 -19.1 -10.4 19.1 -39.7 286 286 A D H > S+ 0 0 95 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.936 107.2 44.8 -66.8 -46.4 -6.8 20.5 -40.1 287 287 A W H > S+ 0 0 71 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.945 112.9 50.0 -59.5 -47.5 -5.5 17.0 -40.3 288 288 A Y H X S+ 0 0 24 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.936 115.4 42.7 -60.6 -46.8 -8.2 15.9 -42.7 289 289 A E H X S+ 0 0 90 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.874 115.4 49.2 -63.2 -44.5 -7.6 18.9 -45.1 290 290 A E H X S+ 0 0 80 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.936 114.2 44.9 -61.8 -45.7 -3.8 18.6 -44.8 291 291 A G H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.929 111.5 53.7 -64.0 -46.8 -3.8 14.8 -45.6 292 292 A L H X S+ 0 0 9 -4,-2.7 4,-1.8 -5,-0.3 -2,-0.2 0.925 113.2 43.3 -53.1 -52.9 -6.3 15.4 -48.4 293 293 A N H < S+ 0 0 98 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.857 112.0 52.1 -60.2 -41.8 -3.9 18.0 -49.9 294 294 A E H < S+ 0 0 93 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.860 108.5 52.0 -69.2 -33.1 -0.8 16.0 -49.4 295 295 A I H < 0 0 15 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.950 360.0 360.0 -64.9 -47.1 -2.4 13.0 -51.1 296 296 A R < 0 0 121 -4,-1.8 -1,-0.1 -5,-0.2 -127,-0.1 -0.434 360.0 360.0 -68.9 360.0 -3.4 15.1 -54.2