==== 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 METAL TRANSPORT 16-NOV-07 3BE5 . COMPND 2 MOLECULE: PUTATIVE IRON COMPOUND-BINDING PROTEIN OF ABC TRA . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI O157:H7 EDL933; . AUTHOR R.SHI,A.MATTE,M.CYGLER,MONTREAL-KINGSTON BACTERIAL STRUCTURA . 1176 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46600.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 795 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 105 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 6.2 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 . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 65 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 139 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 344 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.5 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 10 11 5 3 0 4 1 3 0 4 0 0 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 8 11 1 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 0 PARALLEL BRIDGES PER LADDER . 1 5 3 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 8 6 0 4 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 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 19 A E 0 0 217 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.9 67.5 85.7 -67.9 2 20 A P - 0 0 88 0, 0.0 16,-2.5 0, 0.0 17,-0.5 -0.455 360.0-155.5 -61.1 140.8 69.5 82.5 -67.2 3 21 A V E -A 17 0A 98 14,-0.3 2,-0.3 15,-0.1 12,-0.1 -0.576 19.6-167.1-118.1-178.2 68.8 80.1 -70.1 4 22 A Q E -A 16 0A 48 12,-2.0 12,-3.1 -2,-0.2 2,-0.5 -0.944 24.3-118.8-162.8 154.5 68.8 76.4 -70.9 5 23 A V E -A 15 0A 86 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.948 27.9-172.8-112.1 128.2 68.7 74.4 -74.1 6 24 A F E -A 14 0A 4 8,-3.1 8,-3.6 -2,-0.5 2,-0.8 -0.978 17.5-146.6-123.3 131.0 65.7 72.0 -74.6 7 25 A T E -A 13 0A 75 -2,-0.4 6,-0.3 6,-0.3 107,-0.1 -0.858 25.1-155.7 -94.7 109.4 65.4 69.5 -77.5 8 26 A D > - 0 0 6 4,-2.7 3,-1.3 -2,-0.8 108,-0.2 -0.060 33.2 -90.9 -77.9-174.8 61.7 69.2 -78.3 9 27 A D T 3 S+ 0 0 22 106,-2.4 107,-0.1 1,-0.3 -1,-0.1 0.478 125.4 59.9 -80.9 -5.7 59.8 66.3 -79.9 10 28 A L T 3 S- 0 0 103 105,-0.4 -1,-0.3 2,-0.1 3,-0.1 0.393 122.4-108.8 -89.9 -1.6 60.3 67.7 -83.4 11 29 A G S < S+ 0 0 52 -3,-1.3 2,-0.6 1,-0.3 -2,-0.2 0.617 70.4 148.1 81.4 16.6 64.0 67.4 -82.6 12 30 A R - 0 0 57 103,-0.1 -4,-2.7 1,-0.0 2,-0.8 -0.743 43.1-144.5 -84.7 120.1 64.4 71.2 -82.4 13 31 A K E -A 7 0A 167 -2,-0.6 2,-0.4 -6,-0.3 -6,-0.3 -0.781 28.6-172.2 -83.6 109.4 67.1 72.3 -79.8 14 32 A V E -A 6 0A 13 -8,-3.6 -8,-3.1 -2,-0.8 2,-0.6 -0.882 25.9-132.5-114.4 131.2 65.6 75.5 -78.4 15 33 A T E +A 5 0A 80 -2,-0.4 -10,-0.2 -10,-0.2 98,-0.0 -0.738 41.8 166.3 -79.2 117.7 67.2 78.0 -76.1 16 34 A V E -A 4 0A 1 -12,-3.1 -12,-2.0 -2,-0.6 77,-0.1 -0.866 41.9 -82.0-129.6 160.1 64.6 78.6 -73.4 17 35 A P E -A 3 0A 23 0, 0.0 -14,-0.3 0, 0.0 -1,-0.1 -0.320 29.5-133.0 -58.5 148.2 64.6 80.3 -69.9 18 36 A A S S+ 0 0 19 -16,-2.5 -15,-0.1 1,-0.3 -13,-0.0 0.918 106.2 18.3 -60.0 -45.2 65.8 78.1 -67.0 19 37 A H S S- 0 0 112 -17,-0.5 -1,-0.3 116,-0.0 115,-0.1 -0.790 87.8-154.2-131.4 88.1 62.8 79.3 -65.1 20 38 A P - 0 0 8 0, 0.0 3,-0.2 0, 0.0 73,-0.0 -0.354 12.7-175.6 -68.9 140.6 60.1 80.7 -67.4 21 39 A K S S+ 0 0 165 1,-0.2 2,-0.4 -2,-0.1 113,-0.0 0.620 74.8 44.3-109.8 -22.6 57.7 83.2 -65.9 22 40 A R S S+ 0 0 104 20,-0.1 70,-2.2 21,-0.0 71,-1.2 -0.721 73.2 177.9-130.1 78.7 55.2 83.9 -68.7 23 41 A I E -b 93 0B 3 -2,-0.4 20,-2.2 18,-0.4 21,-1.2 -0.678 15.7-155.6 -86.7 134.1 54.3 80.6 -70.3 24 42 A V E -bc 94 44B 0 69,-2.7 71,-3.2 -2,-0.4 2,-0.5 -0.954 11.7-157.9-107.3 127.1 51.8 80.4 -73.2 25 43 A S E -bc 95 45B 0 19,-2.6 21,-1.8 -2,-0.5 51,-0.2 -0.895 15.2-163.8-109.6 130.5 49.9 77.1 -73.5 26 44 A L S S+ 0 0 0 69,-2.6 2,-0.3 -2,-0.5 71,-0.1 0.259 78.2 46.3 -99.6 12.2 48.3 75.9 -76.7 27 45 A H >> - 0 0 15 68,-0.2 5,-2.5 19,-0.1 4,-1.2 -0.884 59.8-160.4-149.5 132.1 46.2 73.2 -75.1 28 46 A D T 4>S+ 0 0 0 -2,-0.3 5,-2.1 3,-0.2 -1,-0.1 0.974 92.5 31.3 -65.9 -57.9 44.1 73.3 -72.0 29 47 A L T 45S+ 0 0 14 1,-0.2 243,-0.3 3,-0.2 -1,-0.1 0.904 126.5 39.6 -72.9 -42.7 43.7 69.6 -71.1 30 48 A D T 45S+ 0 0 39 3,-0.1 -1,-0.2 241,-0.1 -2,-0.2 0.694 135.2 8.3 -84.8 -20.9 47.1 68.3 -72.4 31 49 A I T X5S+ 0 0 7 -4,-1.2 4,-2.6 3,-0.1 -3,-0.2 0.694 122.3 52.9-125.2 -51.1 49.4 71.2 -71.4 32 50 A T H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -2,-0.2 0.927 110.7 53.0 -49.5 -47.4 49.9 69.7 -66.2 35 53 A L H X>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 4,-0.5 0.882 109.0 49.4 -55.7 -40.8 51.4 73.3 -65.9 36 54 A I H ><5S+ 0 0 24 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.931 110.2 50.2 -64.7 -44.5 49.0 74.1 -63.1 37 55 A E H 3<5S+ 0 0 28 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.835 108.2 53.5 -63.9 -31.7 49.9 70.9 -61.2 38 56 A L H 3<5S- 0 0 3 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.576 118.1-113.1 -81.1 -10.3 53.6 71.6 -61.6 39 57 A G T <<5S+ 0 0 55 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.556 92.2 101.2 90.6 9.7 53.0 75.1 -60.0 40 58 A V < - 0 0 28 -5,-2.1 -4,-0.1 -6,-0.2 -3,-0.1 -0.587 54.6-172.9-119.5 66.8 53.9 77.0 -63.1 41 59 A P - 0 0 68 0, 0.0 -18,-0.4 0, 0.0 -8,-0.1 -0.302 28.4-109.0 -62.6 147.5 50.5 78.0 -64.5 42 60 A P - 0 0 4 0, 0.0 -18,-0.2 0, 0.0 3,-0.1 -0.359 9.1-134.9 -72.8 156.3 50.6 79.7 -67.9 43 61 A V S S+ 0 0 30 -20,-2.2 31,-2.4 1,-0.2 2,-0.3 0.676 93.9 18.6 -80.9 -20.1 49.8 83.4 -68.3 44 62 A A E S-cd 24 74B 0 -21,-1.2 -19,-2.6 29,-0.3 2,-0.3 -0.990 74.2-175.6-148.6 150.8 47.6 82.5 -71.4 45 63 A S E -cd 25 75B 0 29,-2.9 31,-2.0 -2,-0.3 32,-0.5 -0.995 31.8-110.1-149.1 144.6 46.0 79.3 -72.6 46 64 A H + 0 0 4 -21,-1.8 2,-0.3 -2,-0.3 32,-0.2 -0.345 54.4 158.2 -56.1 152.6 43.9 77.6 -75.3 47 65 A G - 0 0 0 30,-1.7 2,-0.3 10,-0.1 10,-0.2 -0.900 33.5 -80.7-164.5-165.7 40.5 76.9 -73.9 48 66 A R E -F 56 0C 73 8,-2.9 8,-1.7 -2,-0.3 2,-0.5 -0.730 24.3-136.6-121.9 161.2 36.9 76.2 -74.7 49 67 A T E -F 55 0C 69 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.970 10.1-148.4-124.6 126.4 33.8 78.2 -75.6 50 68 A R > - 0 0 95 4,-3.2 3,-2.3 -2,-0.5 6,-0.0 -0.487 36.7-104.0 -79.8 158.6 30.2 77.7 -74.3 51 69 A P T 3 S+ 0 0 146 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.805 123.5 60.1 -50.6 -31.0 27.2 78.5 -76.5 52 70 A D T 3 S- 0 0 127 2,-0.1 3,-0.1 1,-0.1 -3,-0.0 0.473 121.8-108.5 -79.1 -1.7 26.8 81.7 -74.5 53 71 A G S < S+ 0 0 41 -3,-2.3 2,-0.1 1,-0.3 -1,-0.1 0.414 76.7 130.9 90.6 -0.6 30.3 82.8 -75.6 54 72 A S - 0 0 36 1,-0.0 -4,-3.2 -5,-0.0 -1,-0.3 -0.466 48.3-130.8 -83.3 159.5 32.0 82.4 -72.2 55 73 A H E +F 49 0C 67 -6,-0.2 2,-0.3 -2,-0.1 14,-0.2 -0.768 22.9 177.0-117.4 152.9 35.3 80.4 -71.9 56 74 A F E -F 48 0C 53 -8,-1.7 -8,-2.9 -2,-0.3 2,-0.6 -0.990 34.4-117.0-151.9 148.4 36.6 77.7 -69.7 57 75 A I > - 0 0 1 -2,-0.3 3,-2.4 -10,-0.2 4,-0.5 -0.790 50.3-108.4 -81.0 119.4 39.7 75.6 -69.3 58 76 A R T 3 S- 0 0 35 -2,-0.6 -25,-0.1 1,-0.3 -1,-0.1 -0.334 97.4 -7.6 -57.2 124.6 38.5 72.0 -70.0 59 77 A S T 3> S+ 0 0 5 -2,-0.1 4,-2.3 1,-0.0 5,-0.3 0.474 102.1 128.0 65.0 7.5 38.5 70.1 -66.7 60 78 A G H <>>S+ 0 0 0 -3,-2.4 4,-2.8 2,-0.2 5,-1.1 0.960 72.3 32.5 -54.9 -69.0 40.2 73.1 -65.1 61 79 A A H >5S+ 0 0 12 -4,-0.5 4,-0.8 4,-0.3 383,-0.2 0.910 120.8 52.9 -56.8 -44.7 38.0 73.8 -62.0 62 80 A L H 45S+ 0 0 18 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.866 123.2 25.2 -62.9 -41.2 37.1 70.1 -61.6 63 81 A L H <5S+ 0 0 2 -4,-2.3 -1,-0.2 3,-0.1 -2,-0.2 0.669 142.9 11.5-100.0 -20.7 40.7 68.9 -61.5 64 82 A T H <5S- 0 0 17 -4,-2.8 -3,-0.2 -5,-0.3 377,-0.2 0.556 86.0-122.1-132.1 -18.7 42.7 71.9 -60.3 65 83 A G S < - 0 0 9 -2,-0.5 3,-0.9 -7,-0.2 6,-0.3 -0.881 59.3 -94.2-143.3 176.6 39.8 78.5 -64.5 68 86 A F G > S+ 0 0 25 -2,-0.3 3,-1.1 1,-0.2 -12,-0.1 0.908 120.2 56.1 -58.8 -42.3 39.7 81.6 -66.6 69 87 A D G 3 S+ 0 0 106 -14,-0.2 -1,-0.2 1,-0.2 -13,-0.0 0.592 113.2 37.2 -73.0 -12.8 37.1 83.2 -64.3 70 88 A N G < S+ 0 0 58 -3,-0.9 2,-0.3 3,-0.0 -1,-0.2 0.140 117.1 44.6-125.6 21.6 39.1 82.9 -61.1 71 89 A S S < S- 0 0 45 -3,-1.1 -5,-0.0 -4,-0.2 0, 0.0 -0.885 83.7-107.9-148.9 176.2 42.6 83.6 -62.3 72 90 A S + 0 0 122 -2,-0.3 2,-0.4 2,-0.1 -4,-0.1 0.195 69.1 131.4 -98.5 13.4 44.5 86.0 -64.6 73 91 A I - 0 0 15 -6,-0.3 -29,-0.3 -5,-0.1 2,-0.3 -0.544 53.5-136.3 -65.2 121.5 45.1 83.4 -67.3 74 92 A A E -d 44 0B 44 -31,-2.4 -29,-2.9 -2,-0.4 2,-0.5 -0.594 10.6-124.3 -81.8 143.4 44.1 85.0 -70.7 75 93 A F E -d 45 0B 53 -2,-0.3 -29,-0.2 -31,-0.2 3,-0.1 -0.781 23.8-176.3 -89.6 126.3 42.1 82.9 -73.2 76 94 A I - 0 0 1 -31,-2.0 6,-3.9 -2,-0.5 -30,-0.2 0.397 53.2 -72.8-104.6 -1.1 43.8 82.7 -76.6 77 95 A G - 0 0 7 -32,-0.5 -30,-1.7 4,-0.2 -1,-0.4 -0.487 26.7-122.8 126.8 161.4 41.2 80.8 -78.6 78 96 A T S S- 0 0 43 2,-0.3 3,-0.1 -32,-0.2 -30,-0.1 0.801 98.5 -5.8-101.2 -81.4 39.5 77.5 -79.1 79 97 A A S S+ 0 0 72 1,-0.2 2,-0.7 -33,-0.0 22,-0.2 0.882 137.4 48.2 -84.1 -44.7 39.8 76.3 -82.7 80 98 A D S S- 0 0 139 21,-0.0 -2,-0.3 22,-0.0 2,-0.3 -0.869 85.0-141.4-102.9 109.1 41.3 79.4 -84.1 81 99 A I - 0 0 26 -2,-0.7 2,-0.9 -4,-0.2 -4,-0.2 -0.506 12.7-130.8 -74.1 131.7 44.3 80.6 -82.0 82 100 A D > - 0 0 86 -6,-3.9 4,-1.7 -2,-0.3 3,-0.1 -0.746 18.4-169.4 -89.3 102.9 44.4 84.4 -81.6 83 101 A I H > S+ 0 0 39 -2,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.871 86.8 56.7 -61.8 -40.7 48.0 85.3 -82.4 84 102 A E H > S+ 0 0 152 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.891 104.9 52.0 -57.6 -41.5 47.5 88.9 -81.1 85 103 A A H > S+ 0 0 21 2,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.890 108.6 51.3 -62.8 -40.0 46.4 87.5 -77.7 86 104 A I H >< S+ 0 0 0 -4,-1.7 3,-0.7 2,-0.2 -2,-0.2 0.943 113.0 44.6 -59.6 -49.1 49.6 85.4 -77.6 87 105 A V H >< S+ 0 0 77 -4,-2.3 3,-2.2 1,-0.2 -2,-0.2 0.930 109.5 55.2 -62.5 -45.2 51.7 88.5 -78.3 88 106 A A H 3< S+ 0 0 75 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.667 99.9 62.8 -62.9 -16.7 49.8 90.6 -75.8 89 107 A A T << S- 0 0 9 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.432 99.7-139.4 -87.3 -2.9 50.6 88.0 -73.1 90 108 A K < - 0 0 163 -3,-2.2 -3,-0.1 -4,-0.1 -2,-0.1 0.857 27.3-161.8 47.0 54.3 54.3 88.8 -73.5 91 109 A P - 0 0 17 0, 0.0 -68,-0.2 0, 0.0 3,-0.1 -0.244 30.4-168.0 -67.7 147.7 55.5 85.1 -73.3 92 110 A D S S+ 0 0 43 -70,-2.2 2,-0.3 1,-0.3 -69,-0.2 0.398 86.8 24.0-102.9 -1.5 59.0 84.0 -72.5 93 111 A L E -b 23 0B 0 -71,-1.2 -69,-2.7 18,-0.1 2,-0.4 -0.925 65.4-161.0-160.5 129.5 58.0 80.4 -73.5 94 112 A I E -be 24 113B 0 18,-2.7 20,-2.4 -2,-0.3 2,-0.5 -0.972 10.5-162.6-113.0 132.3 55.3 79.0 -75.9 95 113 A I E +be 25 114B 0 -71,-3.2 -69,-2.6 -2,-0.4 2,-0.2 -0.970 19.4 157.5-118.3 121.6 54.3 75.4 -75.5 96 114 A T E - 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0 0 52 0, 0.0 -18,-2.7 0, 0.0 2,-0.4 -0.361 63.5-163.3 -50.7 128.2 61.0 80.5 -77.7 113 131 A T E -e 94 0B 0 -20,-0.2 2,-0.3 -5,-0.1 -18,-0.2 -0.958 13.7-173.1-125.6 137.7 58.6 77.8 -78.7 114 132 A V E -e 95 0B 0 -20,-2.4 -18,-2.7 -2,-0.4 2,-0.5 -0.968 11.6-150.4-128.3 147.1 58.6 74.1 -78.1 115 133 A S E -e 96 0B 3 -2,-0.3 -106,-2.4 -20,-0.2 -105,-0.4 -0.975 12.5-168.0-117.9 129.4 56.4 71.2 -79.3 116 134 A I - 0 0 8 -20,-1.9 2,-0.6 -2,-0.5 -108,-0.1 -0.910 7.6-151.7-119.0 142.7 55.8 68.0 -77.1 117 135 A D > - 0 0 34 -2,-0.4 3,-2.1 -20,-0.2 5,-0.2 -0.932 10.6-160.2-124.3 110.1 54.3 64.8 -78.3 118 136 A H T 3> S+ 0 0 95 -2,-0.6 4,-1.8 1,-0.3 7,-0.1 0.704 90.5 73.7 -59.0 -20.0 52.4 62.5 -75.9 119 137 A L T 34 S+ 0 0 122 1,-0.2 2,-1.2 2,-0.2 -1,-0.3 0.756 84.3 71.8 -66.1 -22.7 52.9 59.7 -78.5 120 138 A K T <4 S- 0 0 113 -3,-2.1 -1,-0.2 1,-0.1 -3,-0.1 -0.674 132.3 -29.3 -97.0 79.3 56.6 59.6 -77.3 121 139 A G T > S- 0 0 48 -2,-1.2 4,-0.9 4,-0.1 -2,-0.2 0.388 91.8-122.7 98.4 -1.2 56.3 58.1 -73.8 122 140 A G H X - 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0 0 9 -56,-0.1 35,-0.2 1,-0.1 -55,-0.1 -0.940 62.3 -82.2-165.6 171.3 30.5 74.5 12.5 1106 239 D D S S+ 0 0 62 -2,-0.3 2,-0.4 1,-0.2 -56,-0.2 0.928 123.1 21.8 -51.0 -46.7 30.0 75.0 8.7 1107 240 D F E S-p 1050 0V 21 -58,-1.6 -56,-1.5 -3,-0.1 2,-0.5 -0.988 70.9-163.9-124.8 136.7 30.1 71.2 8.6 1108 241 D V E -pq10511146V 0 37,-2.3 39,-3.0 -2,-0.4 2,-0.3 -0.981 9.9-166.0-116.7 125.5 29.3 68.6 11.3 1109 242 D F E +pq10521147V 0 -58,-3.0 -56,-2.6 -2,-0.5 2,-0.3 -0.800 11.3 169.6-103.2 146.2 30.4 65.0 10.9 1110 243 D A E - q 01148V 2 37,-2.1 39,-1.9 -2,-0.3 2,-0.3 -0.905 23.2-130.3-140.1 171.6 29.3 62.0 12.9 1111 244 D T E - q 01149V 0 -58,-0.4 2,-0.4 -2,-0.3 39,-0.2 -0.859 12.0-153.2-126.7 160.1 29.8 58.3 12.3 1112 245 D W E - q 01150V 6 37,-1.6 39,-3.1 -2,-0.3 2,-0.4 -0.980 15.1-122.8-137.8 145.3 27.5 55.3 12.4 1113 246 D R - 0 0 131 -2,-0.4 9,-0.1 6,-0.2 10,-0.1 -0.720 2.1-153.6 -92.1 137.6 28.0 51.6 13.0 1114 247 D G >> + 0 0 46 -2,-0.4 4,-1.4 3,-0.1 3,-0.6 0.602 52.4 130.4 -76.0 -15.8 27.1 48.7 10.6 1115 248 D D T 34 S- 0 0 85 1,-0.2 3,-0.5 2,-0.2 -2,-0.1 -0.055 75.1 -2.5 -49.1 138.1 26.5 46.1 13.4 1116 249 D T T 34 S- 0 0 155 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.884 139.3 -43.2 50.7 51.5 23.4 44.0 13.4 1117 250 D G T <4 S+ 0 0 57 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.802 93.4 178.7 62.9 31.8 21.8 45.7 10.3 1118 251 D G < - 0 0 10 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.1 -0.336 5.0-171.1 -69.8 146.9 22.9 49.1 11.7 1119 252 D K >> - 0 0 69 -4,-0.1 3,-1.1 -2,-0.1 4,-0.8 -0.876 40.8-106.5-138.2 158.5 22.2 52.2 9.6 1120 253 D P H >> S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 3,-0.7 0.842 119.1 63.6 -52.2 -35.7 22.9 56.0 9.5 1121 254 D Q H 3> S+ 0 0 87 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.791 93.6 61.0 -59.9 -32.9 19.3 56.4 10.6 1122 255 D D H <> S+ 0 0 79 -3,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.871 101.9 51.4 -63.8 -37.3 20.2 54.6 13.9 1123 256 D E H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 3,-0.6 0.811 105.6 56.6 -62.1 -33.5 21.0 61.8 18.9 1128 261 D E H 3< S+ 0 0 86 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.787 104.2 52.4 -69.5 -30.1 17.2 62.3 19.4 1129 262 D K T 3< S+ 0 0 179 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.490 112.2 46.9 -84.6 -5.4 17.4 60.3 22.6 1130 263 D V T <4 S+ 0 0 23 -3,-0.6 -2,-0.2 -4,-0.4 -1,-0.2 0.803 136.3 0.5 -92.2 -45.6 20.2 62.5 23.8 1131 264 D X S >< S- 0 0 46 -4,-2.5 3,-2.5 -5,-0.1 -1,-0.2 -0.815 74.3-136.0-151.1 95.2 18.5 65.8 22.9 1132 265 D P T 3 S+ 0 0 83 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.350 99.2 14.3 -51.2 130.8 15.1 65.9 21.3 1133 266 D G T > S+ 0 0 30 1,-0.1 3,-1.7 3,-0.0 4,-0.5 0.667 81.6 151.6 70.2 17.3 15.2 68.4 18.5 1134 267 D W G X + 0 0 9 -3,-2.5 3,-1.7 1,-0.3 4,-0.4 0.786 62.3 69.5 -43.0 -37.9 19.1 68.4 18.6 1135 268 D d G > S+ 0 0 34 1,-0.3 3,-1.6 2,-0.2 7,-0.6 0.868 92.1 57.8 -54.8 -40.1 19.2 69.2 14.9 1136 269 D Q G < S+ 0 0 130 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.689 96.2 64.0 -64.1 -21.5 17.8 72.7 15.7 1137 270 D F G < S+ 0 0 85 -3,-1.7 2,-0.5 -4,-0.5 -1,-0.3 0.557 100.0 61.1 -81.7 -7.7 20.8 73.4 18.0 1138 271 D L <> - 0 0 0 -3,-1.6 4,-2.7 -4,-0.4 5,-0.2 -0.972 61.9-161.2-123.3 119.8 23.2 73.1 15.0 1139 272 D T H > S+ 0 0 51 -2,-0.5 4,-2.9 1,-0.2 6,-0.2 0.836 98.7 59.6 -56.1 -37.5 23.1 75.4 12.0 1140 273 D A H 4>S+ 0 0 0 -35,-0.2 5,-3.9 2,-0.2 4,-0.3 0.898 109.4 42.2 -57.6 -44.2 25.1 72.7 10.1 1141 274 D d H >45S+ 0 0 12 -6,-0.3 3,-1.2 4,-0.2 5,-0.3 0.945 116.8 47.3 -66.9 -49.9 22.2 70.3 10.8 1142 275 D R H 3<5S+ 0 0 134 -4,-2.7 -2,-0.2 -7,-0.6 -3,-0.2 0.849 114.3 48.0 -55.1 -41.4 19.5 72.9 9.9 1143 276 D S T 3<5S- 0 0 50 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.412 119.3-106.4 -86.4 -0.5 21.3 73.9 6.8 1144 277 D G T < 5S+ 0 0 0 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.809 86.6 119.1 79.2 32.3 21.9 70.4 5.5 1145 278 D R < + 0 0 69 -5,-3.9 -37,-2.3 -6,-0.2 2,-0.6 -0.122 35.8 117.7-119.4 32.6 25.6 70.2 6.3 1146 279 D Y E -q 1108 0V 1 -264,-0.5 2,-0.5 -5,-0.3 -37,-0.2 -0.921 48.7-163.7-101.4 122.3 25.4 67.3 8.7 1147 280 D V E -q 1109 0V 0 -39,-3.0 -37,-2.1 -2,-0.6 2,-0.5 -0.921 11.4-156.0-121.1 124.1 27.4 64.4 7.3 1148 281 D L E -q 1110 0V 1 -268,-3.4 2,-0.4 -2,-0.5 -37,-0.2 -0.881 13.9-174.6-104.4 129.6 27.2 60.7 8.3 1149 282 D I E -q 1111 0V 0 -39,-1.9 -37,-1.6 -2,-0.5 2,-0.1 -0.933 36.1 -98.8-127.1 133.2 30.2 58.5 7.7 1150 283 D S E > -q 1112 0V 11 -2,-0.4 4,-1.1 -39,-0.2 3,-0.2 -0.358 34.2-144.5 -55.3 126.0 30.6 54.7 8.2 1151 284 D R H > S+ 0 0 34 -39,-3.1 4,-1.7 1,-0.2 5,-0.2 0.861 87.1 61.0 -69.2 -44.2 32.4 54.3 11.6 1152 285 D E H > S+ 0 0 72 -40,-0.3 4,-0.8 1,-0.2 3,-0.2 0.876 109.5 42.5 -55.8 -42.7 34.6 51.2 11.0 1153 286 D E H 4 S+ 0 0 19 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.848 114.0 54.3 -70.6 -33.1 36.6 52.9 8.2 1154 287 D A H < S+ 0 0 0 -4,-1.1 -86,-1.6 1,-0.2 -85,-1.1 0.736 106.3 48.9 -71.3 -30.8 36.8 56.2 10.1 1155 288 D I H < S+ 0 0 52 -4,-1.7 -1,-0.2 -3,-0.2 2,-0.2 0.619 90.2 94.9 -92.4 -18.0 38.3 54.7 13.3 1156 289 D S < - 0 0 10 -4,-0.8 -88,-0.4 -5,-0.2 -241,-0.0 -0.507 65.0-150.2 -70.6 141.4 41.1 52.8 11.6 1157 290 D N + 0 0 67 -2,-0.2 -1,-0.1 -243,-0.2 -3,-0.1 0.170 55.3 129.8 -95.9 17.0 44.4 54.5 11.4 1158 291 D S S > S- 0 0 1 -5,-0.1 4,-1.7 1,-0.1 5,-0.1 -0.266 72.3-121.0 -66.8 153.4 45.2 52.7 8.1 1159 292 D F H > S+ 0 0 17 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.829 116.1 60.5 -61.4 -33.2 46.4 54.4 5.0 1160 293 D A H > S+ 0 0 10 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.943 104.1 48.8 -56.1 -50.5 43.2 52.9 3.3 1161 294 D S H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.858 106.0 55.9 -58.9 -40.1 41.0 54.8 5.8 1162 295 D L H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.906 109.5 48.0 -61.5 -39.4 42.9 58.1 5.2 1163 296 D G H X S+ 0 0 3 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.918 111.7 48.2 -64.1 -46.6 42.0 57.7 1.5 1164 297 D L H X S+ 0 0 9 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.853 113.4 48.6 -62.5 -37.1 38.4 56.9 2.2 1165 298 D X H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.960 110.2 50.3 -67.0 -50.7 38.1 59.9 4.6 1166 299 D A H X S+ 0 0 5 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.865 110.4 49.1 -56.3 -43.7 39.7 62.4 2.2 1167 300 D A H X S+ 0 0 2 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.898 114.3 45.1 -65.7 -42.8 37.5 61.4 -0.8 1168 301 D Q H X S+ 0 0 3 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.883 111.7 51.2 -67.9 -43.0 34.3 61.7 1.2 1169 302 D I H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.4 0.936 110.1 53.6 -57.8 -46.4 35.3 65.0 2.9 1170 303 D Q H X S+ 0 0 5 -4,-2.2 4,-2.4 -5,-0.2 5,-0.5 0.932 114.6 35.4 -53.4 -57.6 36.0 66.3 -0.6 1171 304 D S H X S+ 0 0 1 -4,-2.0 4,-1.2 3,-0.2 -318,-0.3 0.850 117.7 53.3 -74.6 -34.0 32.7 65.6 -2.3 1172 305 D Q H < S+ 0 0 0 -4,-2.3 4,-0.2 -5,-0.2 -2,-0.2 0.931 120.6 30.2 -63.4 -45.8 30.6 66.3 0.9 1173 306 D I H < S+ 0 0 19 -4,-2.6 3,-0.2 -5,-0.2 -2,-0.2 0.943 138.3 19.9 -81.4 -47.1 32.1 69.8 1.4 1174 307 D A H < S+ 0 0 27 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.2 0.538 122.8 50.9-103.3 -10.2 32.9 70.8 -2.2 1175 308 D G S < S+ 0 0 0 -4,-1.2 -322,-3.3 -5,-0.5 -1,-0.2 0.074 87.4 79.4-119.5 26.3 30.7 68.6 -4.4 1176 309 D R - 0 0 15 -3,-0.2 2,-0.2 -324,-0.2 -1,-0.1 -0.676 61.1-164.5-134.3 80.2 27.2 68.9 -2.9 1177 310 D P - 0 0 46 0, 0.0 -326,-0.4 0, 0.0 -3,-0.0 -0.490 10.5-154.1 -64.7 128.3 25.5 72.1 -4.1 1178 311 D L 0 0 63 -2,-0.2 -330,-0.1 1,-0.2 -329,-0.1 -0.891 360.0 360.0-107.5 137.6 22.5 72.9 -1.9 1179 312 D P 0 0 135 0, 0.0 -1,-0.2 0, 0.0 -331,-0.1 0.984 360.0 360.0 -68.3 360.0 19.5 74.9 -3.2