==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 23-MAY-11 3S5U . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR A.KE,K.H.NAM . 1678 24 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 78719.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1246 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 163 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 5 0.3 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 . 172 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 162 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 596 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 0 0 0 8 0 0 0 0 7 7 11 1 6 0 0 0 0 0 0 4 4 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 8 13 11 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 . 2 21 3 5 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 ANTIPARALLEL BRIDGES PER LADDER . 10 5 1 0 8 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 2 A R 0 0 65 0, 0.0 12,-4.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 131.0 72.2 51.2 64.7 2 3 A V E +A 12 0A 42 10,-0.2 42,-3.0 2,-0.0 2,-0.3 -0.947 360.0 179.2-132.2 135.8 70.2 50.4 67.8 3 4 A N E +AB 11 43A 4 8,-1.8 8,-2.5 -2,-0.4 2,-0.3 -0.994 2.2 179.7-138.4 149.6 69.9 51.9 71.4 4 5 A F E + B 0 42A 50 38,-1.1 38,-1.3 -2,-0.3 -2,-0.0 -0.989 18.3 137.5-143.0 139.6 68.0 51.3 74.5 5 6 A S S S- 0 0 33 -2,-0.3 3,-0.1 4,-0.3 -1,-0.0 0.233 82.2 -11.2-133.6 -90.9 67.9 52.8 77.9 6 7 A L S S+ 0 0 86 1,-0.1 35,-0.0 20,-0.1 -2,-0.0 0.580 115.9 81.2 -89.9 -16.5 64.7 53.6 79.9 7 8 A L S S- 0 0 32 2,-0.2 -1,-0.1 1,-0.1 202,-0.1 0.839 78.6-150.5 -63.5 -38.0 62.4 52.9 77.0 8 9 A E S S+ 0 0 144 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.649 76.9 84.8 74.0 6.5 62.5 49.2 77.4 9 10 A E S S- 0 0 123 -6,-0.1 2,-0.3 0, 0.0 -4,-0.3 -0.991 87.8-116.7-134.8 133.8 61.9 49.3 73.6 10 11 A P - 0 0 87 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.577 21.1-144.7 -77.4 131.6 64.8 49.6 71.2 11 12 A I E -A 3 0A 1 -8,-2.5 -8,-1.8 -2,-0.3 2,-0.6 -0.686 14.2-140.0 -86.2 146.0 65.0 52.7 69.0 12 13 A E E -A 2 0A 115 -2,-0.3 2,-1.0 -10,-0.2 -10,-0.2 -0.930 7.1-156.3-114.7 122.1 66.4 52.2 65.6 13 14 A I + 0 0 0 -12,-4.2 2,-0.5 -2,-0.6 175,-0.1 -0.790 24.3 161.0-100.6 100.5 68.7 54.8 64.0 14 15 A E - 0 0 127 -2,-1.0 2,-0.1 173,-0.1 172,-0.1 -0.964 66.2 -45.6-118.6 118.4 68.6 54.5 60.3 15 16 A K S S+ 0 0 49 -2,-0.5 172,-2.5 1,-0.1 2,-0.9 -0.420 127.1 2.3 59.8-129.8 69.9 57.6 58.4 16 17 A A E S+c 187 0B 19 161,-0.2 2,-0.4 170,-0.2 172,-0.2 -0.769 79.3 172.9 -95.2 104.0 68.4 60.7 60.0 17 18 A T E -c 188 0B 16 170,-2.3 172,-2.1 -2,-0.9 2,-0.5 -0.921 19.2-146.3-118.4 134.6 66.3 59.7 63.0 18 19 A F E -c 189 0B 7 -2,-0.4 183,-2.8 181,-0.4 2,-0.5 -0.819 12.0-175.0-104.7 127.2 64.7 62.1 65.5 19 20 A L E -cd 190 201B 4 170,-2.9 172,-2.0 -2,-0.5 2,-0.5 -0.925 5.3-171.9-123.8 110.3 64.2 61.4 69.2 20 21 A T E -cd 191 202B 0 181,-2.6 183,-2.1 -2,-0.5 2,-0.6 -0.846 4.6-165.8 -98.9 129.7 62.3 64.0 71.2 21 22 A I E - d 0 203B 11 170,-2.6 183,-0.2 -2,-0.5 6,-0.1 -0.899 1.5-169.7-122.4 105.1 62.1 63.7 75.0 22 23 A K + 0 0 53 181,-2.6 2,-0.4 -2,-0.6 -1,-0.2 0.850 65.4 76.9 -60.7 -46.5 59.5 65.9 76.6 23 24 A D S > S- 0 0 47 181,-0.4 4,-2.1 180,-0.3 3,-0.2 -0.538 73.7-145.6 -73.6 118.8 60.3 65.6 80.3 24 25 A V H > S+ 0 0 35 -2,-0.4 4,-3.0 1,-0.2 5,-0.2 0.871 95.1 53.3 -58.3 -38.1 63.4 67.8 81.1 25 26 A Q H > S+ 0 0 121 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.941 109.8 46.4 -62.1 -45.8 64.8 65.5 83.7 26 27 A S H > S+ 0 0 22 -3,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.846 114.3 49.7 -65.0 -32.6 64.7 62.4 81.4 27 28 A F H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.914 110.3 49.1 -69.0 -42.6 66.3 64.6 78.7 28 29 A A H X S+ 0 0 20 -4,-3.0 4,-2.7 -5,-0.2 -2,-0.2 0.899 113.9 49.7 -61.4 -37.3 69.0 65.8 81.1 29 30 A H H X S+ 0 0 94 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.938 108.8 47.3 -72.5 -45.8 69.6 62.2 82.0 30 31 A L H X S+ 0 0 12 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.939 113.5 51.4 -63.0 -40.9 69.8 60.8 78.5 31 32 A V H X S+ 0 0 4 -4,-2.4 4,-1.6 2,-0.2 5,-0.3 0.958 108.0 50.3 -53.5 -55.1 72.2 63.6 77.6 32 33 A K H >X S+ 0 0 35 -4,-2.7 4,-1.9 1,-0.2 3,-0.5 0.924 110.4 52.0 -51.4 -45.0 74.3 62.8 80.7 33 34 A L H 3X S+ 0 0 19 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.933 104.5 55.6 -56.5 -47.8 74.4 59.1 79.6 34 35 A I H 3< S+ 0 0 5 -4,-2.7 -1,-0.2 1,-0.2 3,-0.2 0.824 111.2 43.4 -55.4 -35.4 75.5 60.1 76.1 35 36 A Y H << S+ 0 0 67 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.760 116.8 45.9 -83.8 -28.7 78.6 62.0 77.4 36 37 A Q H < S+ 0 0 79 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.455 88.5 155.5 -82.2 -2.3 79.4 59.3 80.0 37 38 A Y < 0 0 25 -4,-0.7 -3,-0.1 -3,-0.2 5,-0.1 0.171 360.0 360.0 -40.3 144.5 78.9 56.7 77.2 38 39 A D 0 0 145 3,-0.5 -1,-0.1 12,-0.0 4,-0.1 0.586 360.0 360.0-139.3 360.0 80.7 53.4 77.7 39 ! 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 40 42 A N 0 0 152 0, 0.0 2,-0.5 0, 0.0 -7,-0.0 0.000 360.0 360.0 360.0-148.5 73.0 52.2 81.6 41 43 A E - 0 0 11 -8,-0.1 -3,-0.5 -38,-0.0 2,-0.4 -0.933 360.0-168.3-127.1 121.0 73.2 53.1 77.9 42 44 A L E -B 4 0A 96 -38,-1.3 -38,-1.1 -2,-0.5 2,-0.4 -0.883 4.9-167.5-124.4 140.3 73.8 50.6 75.2 43 45 A K E B 3 0A 2 -2,-0.4 6,-4.4 6,-0.2 -40,-0.2 -0.965 360.0 360.0-137.7 120.8 74.6 50.9 71.5 44 46 A L 0 0 63 -42,-3.0 3,-0.2 -2,-0.4 -41,-0.1 0.728 360.0 360.0-125.5 360.0 74.6 48.3 68.8 45 ! 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 46 51 A Q 0 0 196 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-172.5 74.7 42.6 67.4 47 52 A K - 0 0 68 -3,-0.2 2,-0.2 1,-0.1 0, 0.0 -0.586 360.0-125.4 -82.1 131.5 78.1 44.3 68.2 48 53 A G - 0 0 38 -2,-0.3 -4,-0.3 1,-0.1 2,-0.1 -0.518 33.3-105.7 -72.6 141.5 78.1 47.0 71.0 49 54 A L - 0 0 7 -6,-4.4 -6,-0.2 -2,-0.2 -1,-0.1 -0.419 28.2-123.9 -69.5 140.9 79.5 50.4 69.9 50 55 A K > - 0 0 96 1,-0.1 3,-3.0 -2,-0.1 4,-0.3 -0.674 20.7-119.9 -80.3 141.1 83.0 51.3 71.1 51 56 A P G > S+ 0 0 65 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.871 116.4 57.7 -41.4 -45.6 83.2 54.7 73.0 52 57 A T G 3 S+ 0 0 95 1,-0.2 -3,-0.0 3,-0.0 103,-0.0 0.590 97.0 61.3 -64.3 -13.4 85.6 55.9 70.3 53 58 A E G < S+ 0 0 23 -3,-3.0 104,-1.7 103,-0.1 105,-1.6 0.383 88.0 90.8 -98.1 5.8 82.9 55.2 67.5 54 59 A L E < -e 158 0B 17 -3,-1.5 2,-0.4 -4,-0.3 105,-0.2 -0.809 55.4-169.6-103.6 139.5 80.5 57.7 69.0 55 60 A F E -e 159 0B 15 103,-2.6 105,-3.1 -2,-0.4 2,-0.5 -0.979 8.1-177.1-136.4 116.6 80.6 61.4 67.9 56 61 A V E -e 160 0B 34 -2,-0.4 2,-0.4 103,-0.2 105,-0.2 -0.953 5.9-178.5-121.2 130.4 78.5 63.9 69.9 57 62 A V E +e 161 0B 5 103,-2.4 105,-1.8 -2,-0.5 107,-0.2 -0.988 21.4 151.7-131.3 131.7 78.0 67.5 69.3 58 63 A T S S+ 0 0 3 -2,-0.4 2,-1.0 103,-0.2 -1,-0.1 0.635 75.1 57.5-106.5 -43.4 76.0 70.0 71.3 59 64 A D > - 0 0 30 1,-0.2 4,-0.8 2,-0.1 -1,-0.2 -0.787 64.0-179.3 -98.1 97.7 78.0 73.2 70.5 60 65 A I T >4 S+ 0 0 5 -2,-1.0 3,-0.5 1,-0.2 -1,-0.2 0.910 77.5 42.9 -65.3 -45.8 77.8 73.5 66.8 61 66 A L T 34 S+ 0 0 35 1,-0.2 -1,-0.2 3,-0.0 76,-0.1 0.813 112.9 50.8 -76.3 -28.0 79.8 76.7 66.4 62 67 A G T 34 S+ 0 0 46 2,-0.1 2,-0.2 0, 0.0 -1,-0.2 0.627 83.2 114.0 -80.9 -12.2 82.5 75.9 68.8 63 68 A Y << - 0 0 64 -4,-0.8 2,-0.9 -3,-0.5 3,-0.1 -0.432 67.5-132.8 -68.7 124.0 83.2 72.5 67.3 64 69 A D + 0 0 96 -2,-0.2 3,-0.5 1,-0.2 -1,-0.1 -0.680 32.2 169.3 -84.6 107.4 86.6 72.3 65.7 65 70 A V S S+ 0 0 1 -2,-0.9 -1,-0.2 1,-0.2 -2,-0.0 0.598 72.5 65.7 -94.2 -13.1 86.3 70.9 62.3 66 71 A N S S+ 0 0 32 4,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 -0.220 71.6 146.7-101.4 40.5 89.9 71.8 61.4 67 72 A S > - 0 0 36 -3,-0.5 4,-2.1 1,-0.1 3,-0.3 -0.329 64.6-103.9 -67.3 159.6 91.5 69.4 63.9 68 73 A A H > S+ 0 0 90 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.864 118.7 48.3 -53.2 -41.1 94.8 67.8 63.0 69 74 A A H > S+ 0 0 68 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.835 110.5 49.5 -73.4 -36.4 93.2 64.4 62.2 70 75 A T H > S+ 0 0 9 -3,-0.3 4,-2.3 2,-0.2 5,-0.2 0.920 108.5 51.6 -72.5 -45.7 90.4 65.6 60.0 71 76 A L H X S+ 0 0 31 -4,-2.1 4,-3.2 1,-0.2 5,-0.3 0.903 102.6 63.4 -55.4 -37.6 92.6 67.8 57.9 72 77 A K H X S+ 0 0 165 -4,-1.4 4,-1.9 -5,-0.3 -2,-0.2 0.931 107.9 39.9 -54.1 -49.1 94.8 64.6 57.4 73 78 A L H X S+ 0 0 84 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.885 114.4 52.6 -65.4 -43.2 91.9 62.8 55.6 74 79 A I H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.924 113.0 44.7 -59.6 -44.2 90.8 65.9 53.7 75 80 A Y H X S+ 0 0 36 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.821 110.7 55.1 -70.3 -35.1 94.4 66.4 52.4 76 81 A G H X S+ 0 0 37 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.893 112.0 43.4 -61.4 -40.7 94.6 62.6 51.7 77 82 A D H X S+ 0 0 69 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.861 110.3 54.7 -76.9 -35.1 91.5 62.9 49.6 78 83 A L H X S+ 0 0 3 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.887 109.7 47.4 -62.9 -41.1 92.6 66.1 47.9 79 84 A E H X S+ 0 0 58 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.910 111.7 51.1 -65.4 -42.1 95.9 64.5 46.8 80 85 A A H X S+ 0 0 24 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.906 109.4 50.3 -57.1 -45.0 93.9 61.5 45.6 81 86 A Q H < S+ 0 0 33 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.784 112.2 47.1 -64.0 -31.3 91.6 63.7 43.6 82 87 A L H >< S+ 0 0 2 -4,-1.3 3,-1.1 1,-0.2 7,-0.4 0.748 104.6 61.2 -89.5 -24.4 94.6 65.4 42.1 83 88 A N H 3< S+ 0 0 23 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.847 101.7 54.3 -61.7 -35.7 96.2 62.0 41.4 84 89 A D T 3< S+ 0 0 29 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.353 99.8 63.0 -83.9 4.9 93.2 61.2 39.2 85 90 A K X> + 0 0 55 -3,-1.1 4,-2.5 1,-0.1 3,-1.1 -0.555 62.9 171.4-125.0 71.5 93.8 64.4 37.1 86 91 A P H 3> S+ 0 0 42 0, 0.0 4,-2.9 0, 0.0 -1,-0.1 0.771 74.5 58.4 -58.0 -31.3 97.2 63.6 35.6 87 92 A E H 3> S+ 0 0 107 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.897 113.8 39.0 -65.9 -38.5 97.1 66.6 33.3 88 93 A V H <> S+ 0 0 19 -3,-1.1 4,-2.7 2,-0.2 -1,-0.2 0.914 116.6 49.2 -70.1 -46.4 96.7 68.9 36.3 89 94 A K H X S+ 0 0 15 -4,-2.5 4,-2.8 -7,-0.4 -2,-0.2 0.916 110.4 54.3 -62.5 -38.7 99.1 67.0 38.5 90 95 A S H X S+ 0 0 75 -4,-2.9 4,-2.0 -5,-0.3 -1,-0.2 0.956 107.5 47.2 -54.5 -58.8 101.5 67.1 35.6 91 96 A M H X S+ 0 0 88 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.905 112.6 51.8 -48.8 -46.5 101.2 71.0 35.4 92 97 A I H X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.941 107.5 50.9 -62.3 -44.3 101.7 71.2 39.2 93 98 A E H X S+ 0 0 68 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.882 111.7 47.1 -60.5 -40.1 104.8 69.1 39.0 94 99 A K H X S+ 0 0 83 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.899 111.7 50.8 -70.7 -42.7 106.4 71.2 36.3 95 100 A L H X S+ 0 0 26 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.910 115.0 43.0 -56.6 -44.4 105.5 74.5 38.1 96 101 A T H X S+ 0 0 9 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.891 112.2 54.6 -73.5 -35.5 107.1 73.1 41.3 97 102 A G H X S+ 0 0 16 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.882 108.7 48.4 -59.0 -39.3 110.0 71.7 39.4 98 103 A T H X S+ 0 0 28 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.918 107.9 52.9 -72.8 -42.3 110.7 75.1 37.9 99 104 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 5,-0.3 0.896 110.8 50.6 -57.1 -38.2 110.5 76.9 41.2 100 105 A S H X S+ 0 0 16 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.895 109.8 46.5 -71.5 -42.3 113.1 74.3 42.4 101 106 A Q H X S+ 0 0 23 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.983 114.0 51.0 -55.0 -60.6 115.6 74.8 39.5 102 107 A L H X S+ 0 0 12 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.875 116.8 37.4 -35.1 -58.1 115.2 78.6 39.9 103 108 A I H >X S+ 0 0 2 -4,-2.2 4,-1.7 1,-0.2 3,-0.8 0.887 107.8 66.1 -79.0 -38.2 115.9 78.6 43.6 104 109 A G H >X S+ 0 0 6 -4,-2.6 4,-1.7 -5,-0.3 3,-0.6 0.903 99.3 52.9 -38.3 -54.3 118.5 75.9 43.2 105 110 A Y H 3X S+ 0 0 49 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.826 105.6 54.8 -52.4 -40.1 120.6 78.4 41.2 106 111 A E H > - 0 0 107 -2,-0.5 4,-1.2 1279,-0.2 3,-0.6 -0.679 42.3-102.2-104.9 164.8 105.7 67.3 47.1 121 126 A V H 3> S+ 0 0 9 1,-0.2 4,-2.2 -2,-0.2 3,-0.3 0.847 118.2 58.5 -60.0 -36.3 102.0 68.1 47.0 122 127 A Q H 3> S+ 0 0 59 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.891 102.8 55.6 -62.6 -36.0 101.4 67.7 50.8 123 128 A E H <> S+ 0 0 55 -3,-0.6 4,-1.6 1,-0.2 -1,-0.3 0.889 107.3 50.6 -58.5 -39.5 104.0 70.4 51.3 124 129 A L H X S+ 0 0 5 -4,-1.2 4,-2.5 -3,-0.3 -2,-0.2 0.854 106.9 52.8 -67.5 -37.0 101.8 72.6 49.0 125 130 A F H <>S+ 0 0 4 -4,-2.2 5,-1.4 1,-0.2 -2,-0.2 0.962 112.0 45.7 -64.8 -44.0 98.7 71.9 50.9 126 131 A K H <5S+ 0 0 163 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.810 112.6 50.4 -64.7 -31.9 100.4 72.9 54.1 127 132 A A H <5S+ 0 0 9 -4,-1.6 1263,-0.3 -5,-0.2 -2,-0.2 0.953 106.9 57.0 -76.1 -50.5 101.8 76.0 52.5 128 133 A L T <5S- 0 0 0 -4,-2.5 2,-0.9 1261,-0.1 1263,-0.1 -0.405 106.3-120.8 -58.5 154.2 98.5 77.0 51.1 129 134 A G T 5 - 0 0 17 -2,-0.1 2,-0.3 2,-0.1 -3,-0.2 -0.371 39.8-171.4-105.6 63.8 96.6 77.2 54.4 130 135 A I < + 0 0 1 -5,-1.4 2,-0.3 -2,-0.9 1258,-0.2 -0.350 23.5 128.1 -72.6 120.6 94.0 74.6 53.3 131 136 A K E -I 1387 0D 78 1256,-1.5 1256,-2.6 -2,-0.3 2,-0.4 -0.898 62.7 -79.7-153.4 173.0 91.2 74.2 55.8 132 137 A I E -I 1386 0D 0 -2,-0.3 2,-0.4 1254,-0.2 1254,-0.2 -0.692 51.0-115.6 -82.4 138.3 87.4 74.2 55.9 133 138 A E + 0 0 22 1252,-3.0 1252,-0.1 -2,-0.4 -1,-0.0 -0.639 53.2 146.9 -80.0 131.0 86.0 77.7 55.9 134 139 A T > + 0 0 46 -2,-0.4 3,-2.4 3,-0.1 -1,-0.2 0.571 43.0 88.1-133.6 -28.2 84.2 78.5 59.2 135 140 A T T 3 S+ 0 0 107 1,-0.3 -2,-0.1 958,-0.0 0, 0.0 0.806 99.8 38.6 -49.2 -37.4 84.6 82.2 60.1 136 141 A S T 3 S+ 0 0 77 2,-0.0 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B I H X S+ 0 0 1 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.787 109.8 54.3 -75.3 -30.8 141.9 20.8 27.8 277 80 B Y H X S+ 0 0 24 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.906 105.2 51.1 -68.6 -43.6 138.5 19.5 28.8 278 81 B G H X S+ 0 0 34 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.878 113.3 48.4 -60.5 -38.0 137.4 19.3 25.1 279 82 B D H X S+ 0 0 48 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.902 107.9 51.8 -70.3 -43.9 140.6 17.3 24.6 280 83 B L H X S+ 0 0 8 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.923 113.6 47.6 -56.8 -40.8 140.0 15.0 27.6 281 84 B E H X S+ 0 0 57 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.934 108.1 50.5 -67.0 -50.7 136.6 14.4 26.1 282 85 B A H < S+ 0 0 53 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.859 113.9 50.5 -54.3 -30.4 137.7 13.7 22.5 283 86 B Q H >< S+ 0 0 46 -4,-1.8 3,-1.8 -5,-0.2 -2,-0.2 0.959 107.6 49.4 -73.0 -50.2 140.1 11.3 24.2 284 87 B L H >< S+ 0 0 9 -4,-2.7 3,-1.9 1,-0.3 7,-0.4 0.827 102.8 62.6 -58.3 -34.5 137.4 9.6 26.3 285 88 B N T 3< S+ 0 0 79 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.683 99.7 55.9 -65.0 -17.9 135.3 9.1 23.2 286 89 B 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