==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 22-OCT-10 2XV1 . COMPND 2 MOLECULE: IRON-UPTAKE SYSTEM-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR F.PEUCKERT,M.MIETHKE,C.J.SCHWOERER,A.G.ALBRECHT,M.OBERTHUER, . 283 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12651.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.0 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 . 3 1.1 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 . 25 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 3 1 1 3 0 0 1 0 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 1 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 PARALLEL BRIDGES PER LADDER . 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 18 A E 0 0 147 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.9 1.2 -0.1 -17.4 2 19 A K - 0 0 135 13,-0.1 2,-0.3 1,-0.0 13,-0.3 -0.304 360.0-114.4-105.9-177.3 1.2 1.7 -14.0 3 20 A K E -A 14 0A 130 11,-2.3 11,-2.3 -2,-0.1 2,-1.0 -0.934 22.1-119.9-121.8 150.5 -1.4 2.7 -11.4 4 21 A K E -A 13 0A 81 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.761 28.3-165.9 -90.8 98.3 -2.5 6.2 -10.3 5 22 A I E -A 12 0A 6 7,-2.2 7,-2.1 -2,-1.0 2,-0.6 -0.765 9.9-147.8 -86.2 117.7 -1.8 6.4 -6.5 6 23 A E E +A 11 0A 68 -2,-0.6 2,-0.4 5,-0.2 5,-0.2 -0.786 21.2 176.4 -88.4 121.2 -3.5 9.5 -5.0 7 24 A Y E > -A 10 0A 10 3,-2.2 3,-1.2 -2,-0.6 -2,-0.0 -0.879 61.2 -35.4-133.6 103.8 -1.5 11.0 -2.1 8 25 A L T 3 S- 0 0 65 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.973 123.5 -37.3 50.2 73.2 -2.7 14.2 -0.3 9 26 A D T 3 S+ 0 0 114 1,-0.2 -1,-0.2 -3,-0.1 2,-0.2 0.195 125.7 91.6 71.8 -18.4 -4.2 16.2 -3.2 10 27 A K E < -A 7 0A 77 -3,-1.2 -3,-2.2 -2,-0.0 2,-0.4 -0.614 62.5-146.2-103.1 165.4 -1.5 15.0 -5.7 11 28 A T E -A 6 0A 105 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.998 11.9-168.1-134.8 140.0 -1.4 12.0 -8.0 12 29 A Y E -A 5 0A 46 -7,-2.1 -7,-2.2 -2,-0.4 2,-0.7 -0.956 21.6-129.5-130.6 143.1 1.6 9.8 -9.0 13 30 A E E +A 4 0A 60 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.850 41.4 158.6 -93.5 115.8 2.2 7.2 -11.7 14 31 A V E -A 3 0A 1 -11,-2.3 -11,-2.3 -2,-0.7 2,-0.7 -0.992 45.2-123.8-141.2 128.7 3.7 4.1 -10.1 15 32 A T - 0 0 48 -2,-0.4 -13,-0.1 -13,-0.3 66,-0.1 -0.649 54.0-130.4 -68.6 113.0 3.9 0.4 -11.3 16 33 A V S S+ 0 0 38 -2,-0.7 108,-0.1 1,-0.2 107,-0.1 -0.933 75.4 38.8-129.2 151.5 2.3 -1.3 -8.2 17 34 A P S S+ 0 0 100 0, 0.0 2,-0.4 0, 0.0 107,-0.2 0.377 81.6 169.7 -81.5 135.4 2.5 -3.5 -6.3 18 35 A T - 0 0 12 105,-2.3 -2,-0.1 1,-0.1 3,-0.0 -0.891 40.3-172.8-119.4 143.4 6.3 -3.0 -6.0 19 36 A D S S+ 0 0 87 -2,-0.4 2,-2.2 1,-0.1 22,-0.5 0.621 73.8 94.5 -90.7 -24.8 9.1 -4.2 -3.8 20 37 A K + 0 0 41 20,-0.1 61,-2.0 21,-0.1 62,-1.5 -0.447 55.0 146.6 -74.0 77.2 11.5 -1.8 -5.5 21 38 A I E -b 82 0B 0 -2,-2.2 21,-2.9 59,-0.2 20,-1.5 -0.959 33.9-161.7-119.0 125.6 11.1 1.1 -3.0 22 39 A A E -bc 83 42B 0 60,-2.5 62,-3.2 -2,-0.5 2,-0.5 -0.953 9.5-161.5-105.8 121.2 13.9 3.5 -2.0 23 40 A I E +b 84 0B 1 19,-1.8 2,-0.3 -2,-0.5 41,-0.3 -0.924 18.2 163.7-106.2 122.2 13.3 5.4 1.2 24 41 A T - 0 0 0 60,-2.8 2,-1.6 -2,-0.5 43,-0.1 -0.996 65.9 -5.2-138.5 138.4 15.3 8.6 1.8 25 42 A G S S+ 0 0 3 -2,-0.3 2,-1.5 42,-0.2 3,-0.2 -0.093 104.7 100.5 74.2 -42.3 14.6 11.3 4.4 26 43 A S >> + 0 0 0 -2,-1.6 4,-1.1 58,-0.6 3,-0.5 -0.586 33.7 164.5 -87.3 84.9 11.4 9.7 5.5 27 44 A V H 3> S+ 0 0 1 -2,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.837 77.8 70.0 -63.4 -30.0 12.0 7.9 8.7 28 45 A E H 3> S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.911 97.7 48.3 -46.8 -47.6 8.2 7.9 8.9 29 46 A S H <> S+ 0 0 3 -3,-0.5 4,-2.9 1,-0.2 -1,-0.2 0.801 105.2 58.0 -70.5 -29.2 8.1 5.4 6.0 30 47 A M H X S+ 0 0 0 -4,-1.1 4,-1.6 -3,-0.2 -1,-0.2 0.907 108.7 46.7 -61.6 -41.0 10.7 3.3 7.7 31 48 A E H X S+ 0 0 1 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.814 113.4 47.7 -73.5 -33.0 8.3 3.0 10.7 32 49 A D H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.918 109.7 52.6 -70.8 -46.0 5.3 2.2 8.4 33 50 A A H X>S+ 0 0 0 -4,-2.9 5,-2.6 1,-0.2 4,-0.8 0.863 105.5 58.2 -52.8 -39.2 7.4 -0.4 6.5 34 51 A K H <5S+ 0 0 54 -4,-1.6 3,-0.5 1,-0.2 -1,-0.2 0.918 111.9 36.6 -61.9 -49.2 8.2 -2.0 9.9 35 52 A L H <5S+ 0 0 51 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.793 120.2 49.4 -75.1 -28.2 4.5 -2.6 10.9 36 53 A L H <5S- 0 0 0 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.516 107.3-125.3 -83.7 -5.4 3.5 -3.4 7.3 37 54 A D T <5 + 0 0 75 -4,-0.8 2,-0.5 -3,-0.5 -3,-0.2 0.922 52.4 160.3 50.5 48.6 6.4 -5.9 6.8 38 55 A V < - 0 0 7 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.900 28.7-158.3 -95.3 125.4 7.6 -4.0 3.8 39 56 A H - 0 0 27 -2,-0.5 -18,-0.2 -3,-0.1 19,-0.1 -0.836 18.8-154.5-104.3 92.2 11.2 -4.8 3.0 40 57 A P - 0 0 0 0, 0.0 20,-0.2 0, 0.0 -18,-0.1 -0.158 21.3-133.2 -70.7 166.6 12.4 -1.9 0.8 41 58 A Q S S+ 0 0 48 -20,-1.5 21,-1.8 -22,-0.5 2,-0.4 0.864 97.7 32.8 -77.3 -44.2 15.2 -1.9 -1.7 42 59 A G E S+cd 22 62B 0 -21,-2.9 -19,-1.8 19,-0.2 2,-0.3 -0.955 73.5 173.2-116.6 137.6 16.6 1.3 -0.3 43 60 A A E - d 0 63B 0 19,-1.7 21,-1.9 -2,-0.4 22,-0.5 -0.958 35.3 -95.7-141.9 158.0 16.5 2.3 3.4 44 61 A I E - 0 0 0 -2,-0.3 2,-0.2 19,-0.2 22,-0.2 -0.547 32.9-145.9 -77.9 131.6 17.9 5.1 5.6 45 62 A S E - d 0 66B 6 20,-1.9 22,-0.5 -2,-0.3 2,-0.4 -0.622 0.8-150.4 -90.0 156.7 21.1 4.5 7.5 46 63 A F B > S-F 49 0C 13 3,-2.8 3,-1.3 -2,-0.2 20,-0.1 -0.952 85.6 -16.9-131.1 107.6 21.7 6.0 10.9 47 64 A S T 3 S- 0 0 70 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.890 128.5 -57.4 53.7 42.7 25.4 6.6 11.5 48 65 A G T 3 S+ 0 0 56 1,-0.2 2,-0.2 0, 0.0 -1,-0.2 0.318 123.5 86.4 77.6 -8.3 26.1 4.2 8.6 49 66 A K B < S-F 46 0C 117 -3,-1.3 -3,-2.8 14,-0.0 -1,-0.2 -0.763 77.7-115.7-122.3 166.1 24.2 1.3 10.2 50 67 A F - 0 0 32 -2,-0.2 5,-0.1 -5,-0.2 -5,-0.1 -0.910 40.4-119.2-101.3 115.2 20.5 -0.0 10.4 51 68 A P >> - 0 0 17 0, 0.0 3,-3.1 0, 0.0 4,-0.8 -0.198 23.3-110.1 -56.7 144.0 19.2 0.1 14.1 52 69 A D G >4 S+ 0 0 128 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.825 116.4 61.8 -37.2 -49.2 18.2 -3.2 15.7 53 70 A M G 34 S+ 0 0 36 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.662 110.0 40.1 -61.6 -17.6 14.5 -2.2 15.6 54 71 A F G X> S+ 0 0 0 -3,-3.1 3,-1.7 1,-0.1 4,-1.1 0.495 84.7 98.1-104.6 -7.6 14.6 -2.0 11.7 55 72 A K T << S+ 0 0 110 -3,-1.4 4,-0.4 -4,-0.8 -2,-0.1 0.733 75.4 63.0 -57.2 -29.9 16.7 -5.1 10.9 56 73 A D T 34 S+ 0 0 66 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.803 116.3 30.8 -63.9 -30.5 13.7 -7.3 10.2 57 74 A I T <4 S+ 0 0 0 -3,-1.7 3,-0.2 1,-0.1 -2,-0.2 0.448 112.4 61.6-108.9 -2.1 12.8 -5.0 7.3 58 75 A T S >< S+ 0 0 8 -4,-1.1 3,-1.5 1,-0.1 -3,-0.1 0.332 71.9 104.5 -99.5 8.5 16.3 -3.8 6.2 59 76 A D T 3 S+ 0 0 99 -4,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.782 90.2 31.8 -62.0 -33.0 17.5 -7.4 5.4 60 77 A K T 3 S+ 0 0 135 -3,-0.2 -1,-0.3 -20,-0.2 2,-0.2 0.180 107.4 101.3-104.0 13.8 17.1 -6.9 1.5 61 78 A A < - 0 0 19 -3,-1.5 -19,-0.2 -19,-0.1 -20,-0.1 -0.607 50.8-162.9 -99.7 155.0 18.0 -3.2 1.7 62 79 A E E -d 42 0B 103 -21,-1.8 -19,-1.7 -2,-0.2 -2,-0.0 -0.933 42.5 -81.3-122.6 159.0 21.1 -1.2 1.0 63 80 A P E -d 43 0B 56 0, 0.0 -19,-0.2 0, 0.0 3,-0.1 -0.260 23.1-169.2 -58.7 136.4 21.6 2.5 2.3 64 81 A T E - 0 0 0 -21,-1.9 7,-3.4 1,-0.5 11,-0.2 0.354 64.1 -98.6 -90.8 -2.8 20.2 5.5 0.5 65 82 A G E - 0 0 12 -22,-0.5 -20,-1.9 5,-0.2 -1,-0.5 -0.551 61.4 -31.0 111.7 179.8 22.5 7.4 2.9 66 83 A E E > S-d 45 0B 77 3,-0.5 3,-1.0 -22,-0.2 -41,-0.2 -0.239 74.9 -93.6 -65.7 164.2 21.9 9.3 6.1 67 84 A K T 3 S+ 0 0 30 -22,-0.5 -42,-0.2 1,-0.3 -1,-0.1 0.854 121.8 28.9 -50.6 -50.2 18.5 10.8 6.7 68 85 A M T 3 S+ 0 0 149 1,-0.2 -1,-0.3 -44,-0.1 -2,-0.0 0.478 115.7 64.5 -94.3 -1.7 19.1 14.3 5.5 69 86 A E < - 0 0 64 -3,-1.0 -3,-0.5 2,-0.0 -1,-0.2 -0.664 70.0-163.9-129.6 73.4 21.9 13.4 2.9 70 87 A P - 0 0 25 0, 0.0 2,-1.0 0, 0.0 -5,-0.2 -0.346 18.0-134.1 -62.3 134.8 20.5 11.2 0.1 71 88 A N > - 0 0 84 -7,-3.4 4,-2.8 1,-0.2 5,-0.2 -0.788 20.8-174.1 -91.3 96.9 23.2 9.4 -2.0 72 89 A I H > S+ 0 0 40 -2,-1.0 4,-2.5 1,-0.2 5,-0.2 0.826 83.5 55.8 -63.4 -34.4 22.0 10.0 -5.6 73 90 A E H > S+ 0 0 73 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.882 111.8 44.1 -64.8 -38.5 24.7 7.7 -7.0 74 91 A K H > S+ 0 0 18 2,-0.2 4,-1.6 -3,-0.2 -2,-0.2 0.943 113.9 48.6 -70.0 -46.4 23.3 4.9 -4.8 75 92 A I H X S+ 0 0 0 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.877 111.6 49.9 -65.3 -39.1 19.6 5.6 -5.5 76 93 A L H >< S+ 0 0 87 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.921 107.9 53.9 -60.4 -46.3 20.3 5.7 -9.3 77 94 A E H 3< S+ 0 0 81 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.816 106.9 52.9 -58.2 -33.5 22.2 2.4 -9.1 78 95 A M H 3< S- 0 0 12 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.805 89.7-156.1 -69.7 -32.6 19.1 0.9 -7.4 79 96 A K << - 0 0 70 -4,-1.1 -3,-0.1 -3,-0.6 22,-0.1 0.957 21.2-163.9 47.5 63.0 16.8 2.0 -10.1 80 97 A P - 0 0 12 0, 0.0 22,-0.2 0, 0.0 -59,-0.2 -0.277 29.7-135.8 -73.3 158.3 13.7 2.0 -7.9 81 98 A D S S+ 0 0 64 -61,-2.0 2,-0.3 1,-0.3 21,-0.3 0.721 94.4 12.2 -79.8 -26.1 10.0 2.0 -9.0 82 99 A V E -b 21 0B 0 -62,-1.5 -60,-2.5 19,-0.1 2,-0.5 -0.989 63.3-151.8-150.8 143.7 9.4 4.6 -6.3 83 100 A I E -be 22 103B 0 19,-2.8 21,-2.6 -2,-0.3 2,-0.8 -0.981 13.9-151.1-112.8 120.8 11.4 6.8 -4.0 84 101 A L E +be 23 104B 1 -62,-3.2 -60,-2.8 -2,-0.5 -58,-0.6 -0.835 28.3 171.8 -93.3 109.2 9.8 7.7 -0.7 85 102 A A E - e 0 105B 0 19,-2.3 21,-3.4 -2,-0.8 2,-0.3 -0.382 27.8-103.5-107.1-174.1 11.2 11.1 0.3 86 103 A S E > - e 0 106B 2 19,-0.3 3,-0.8 -2,-0.1 21,-0.2 -0.827 10.7-133.3-116.6 152.7 10.4 13.6 3.0 87 104 A T T 3 S+ 0 0 54 19,-1.8 20,-0.1 -2,-0.3 -1,-0.1 0.512 102.7 72.0 -77.3 -4.9 8.5 16.9 3.0 88 105 A K T 3 S+ 0 0 86 18,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.681 74.7 99.4 -83.8 -19.1 11.4 18.3 5.1 89 106 A F S < S- 0 0 18 -3,-0.8 5,-0.0 1,-0.1 -21,-0.0 -0.394 85.4-106.4 -64.4 140.6 13.9 18.3 2.2 90 107 A P >> - 0 0 83 0, 0.0 4,-2.0 0, 0.0 3,-0.5 -0.352 33.5-111.1 -56.1 152.0 14.5 21.6 0.5 91 108 A E H 3> S+ 0 0 131 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.868 118.4 56.1 -56.3 -42.6 12.8 21.7 -2.9 92 109 A K H 3> S+ 0 0 130 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.836 108.4 48.6 -62.8 -31.8 16.2 21.6 -4.8 93 110 A T H <> S+ 0 0 47 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.873 111.3 49.8 -73.7 -36.5 17.0 18.4 -2.9 94 111 A L H X S+ 0 0 20 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.919 111.6 47.8 -65.2 -44.3 13.6 16.9 -3.8 95 112 A Q H < S+ 0 0 87 -4,-3.1 -2,-0.2 2,-0.2 -1,-0.2 0.890 113.4 48.9 -62.6 -38.2 14.1 17.9 -7.5 96 113 A K H >< S+ 0 0 59 -4,-1.6 3,-1.2 -5,-0.2 4,-0.3 0.892 110.7 49.6 -68.6 -43.6 17.6 16.4 -7.4 97 114 A I H >< S+ 0 0 0 -4,-2.5 3,-2.1 1,-0.2 -2,-0.2 0.888 101.5 65.2 -56.8 -40.7 16.4 13.2 -5.8 98 115 A S T 3< S+ 0 0 55 -4,-2.1 3,-0.4 1,-0.3 -1,-0.2 0.453 82.2 76.1 -70.8 -0.6 13.6 12.9 -8.5 99 116 A T T < S+ 0 0 96 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.743 92.9 54.8 -75.3 -23.3 16.3 12.4 -11.2 100 117 A A S < S- 0 0 12 -3,-2.1 2,-0.2 -4,-0.3 -1,-0.2 0.465 125.4 -66.7 -87.9 -2.3 16.6 8.8 -9.9 101 118 A G S S- 0 0 27 -3,-0.4 -1,-0.3 -4,-0.2 -20,-0.1 -0.801 81.8 -15.7 143.2 175.7 12.8 8.1 -10.3 102 119 A T - 0 0 47 -21,-0.3 -19,-2.8 -2,-0.2 2,-0.5 -0.278 65.1-160.4 -51.8 122.7 9.2 8.8 -9.2 103 120 A T E -e 83 0B 20 -21,-0.2 -19,-0.2 -5,-0.1 -1,-0.1 -0.936 16.7-169.3-124.2 126.0 9.5 10.7 -5.9 104 121 A I E -e 84 0B 0 -21,-2.6 -19,-2.3 -2,-0.5 2,-0.8 -0.943 18.2-142.6-117.4 110.2 6.8 11.1 -3.3 105 122 A P E -e 85 0B 34 0, 0.0 2,-0.4 0, 0.0 -19,-0.3 -0.639 21.8-146.2 -68.0 108.8 7.5 13.6 -0.5 106 123 A V E -e 86 0B 1 -21,-3.4 -19,-1.8 -2,-0.8 -18,-0.3 -0.658 22.2-108.5 -82.5 129.9 6.0 11.9 2.6 107 124 A S - 0 0 8 -2,-0.4 -1,-0.1 -21,-0.2 9,-0.1 -0.261 20.2-164.2 -65.2 137.3 4.5 14.3 5.1 108 125 A H + 0 0 55 -80,-0.0 2,-0.7 3,-0.0 67,-0.6 0.315 62.0 110.3 -95.2 2.7 6.2 15.0 8.5 109 126 A I B > -G 174 0D 59 1,-0.1 3,-2.3 65,-0.1 65,-0.2 -0.751 69.4-142.4 -82.1 116.9 3.0 16.5 9.7 110 127 A S G > S+ 0 0 1 63,-1.2 3,-1.1 -2,-0.7 64,-0.2 0.633 92.7 69.2 -64.1 -18.9 1.8 14.0 12.3 111 128 A S G 3 S+ 0 0 63 62,-0.8 3,-0.4 1,-0.3 -1,-0.3 0.620 91.7 63.1 -72.6 -13.0 -1.9 14.4 11.5 112 129 A N G <> + 0 0 38 -3,-2.3 4,-2.3 1,-0.2 -1,-0.3 0.077 66.7 116.2 -92.3 22.1 -1.2 12.7 8.1 113 130 A W H <> S+ 0 0 17 -3,-1.1 4,-1.6 1,-0.2 151,-0.3 0.852 74.6 50.4 -60.1 -35.8 -0.1 9.4 9.8 114 131 A K H > S+ 0 0 79 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.924 110.7 47.8 -66.9 -46.9 -3.0 7.5 8.2 115 132 A E H > S+ 0 0 79 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.907 110.5 51.0 -62.4 -46.8 -2.3 8.7 4.6 116 133 A N H X S+ 0 0 2 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.919 112.0 48.2 -55.3 -47.7 1.4 7.9 4.8 117 134 A M H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.926 112.7 46.9 -59.7 -49.8 0.6 4.4 6.1 118 135 A M H X S+ 0 0 48 -4,-2.5 4,-3.8 2,-0.2 5,-0.2 0.870 105.4 61.3 -63.6 -37.9 -2.0 3.8 3.3 119 136 A L H X S+ 0 0 5 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.944 108.9 41.2 -52.1 -54.2 0.4 5.2 0.7 120 137 A L H X S+ 0 0 1 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.902 115.4 52.5 -62.0 -41.6 3.0 2.4 1.4 121 138 A A H X>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 4,-1.6 0.921 110.6 47.0 -57.1 -45.9 0.1 -0.1 1.7 122 139 A Q H <5S+ 0 0 70 -4,-3.8 -2,-0.2 1,-0.2 -1,-0.2 0.887 112.9 49.0 -67.1 -39.2 -1.2 1.0 -1.7 123 140 A L H <5S+ 0 0 0 -4,-2.6 -105,-2.3 -5,-0.2 -1,-0.2 0.847 121.6 35.2 -63.6 -34.7 2.3 0.8 -3.2 124 141 A T H <5S- 0 0 24 -4,-2.1 -2,-0.2 -107,-0.2 -1,-0.2 0.492 109.7-114.5-103.5 -6.9 2.8 -2.7 -1.7 125 142 A G T <5S+ 0 0 44 -4,-1.6 -3,-0.2 -5,-0.2 3,-0.2 0.851 79.5 120.8 75.5 37.6 -0.7 -4.1 -2.0 126 143 A K >< + 0 0 62 -5,-2.5 4,-2.1 -8,-0.2 -4,-0.2 -0.241 15.2 132.9-127.8 43.1 -1.3 -4.3 1.8 127 144 A E H > S+ 0 0 72 -6,-0.3 4,-2.6 1,-0.2 5,-0.2 0.851 73.2 57.0 -64.8 -35.8 -4.3 -2.1 2.4 128 145 A K H > S+ 0 0 86 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.921 109.0 44.5 -60.5 -48.1 -6.0 -4.8 4.6 129 146 A K H > S+ 0 0 99 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.915 114.3 50.7 -62.4 -42.9 -3.0 -4.9 6.9 130 147 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.868 110.5 47.7 -67.0 -40.0 -2.8 -1.1 7.0 131 148 A K H X S+ 0 0 66 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.886 111.6 51.6 -65.4 -40.1 -6.5 -0.6 7.8 132 149 A K H X S+ 0 0 50 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.884 110.3 48.6 -64.2 -39.1 -6.2 -3.3 10.6 133 150 A I H X S+ 0 0 31 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.895 113.8 46.3 -67.4 -40.6 -3.2 -1.4 12.1 134 151 A I H X S+ 0 0 21 -4,-1.9 4,-1.8 2,-0.2 3,-0.2 0.950 112.4 49.2 -67.4 -49.9 -5.1 1.9 12.0 135 152 A A H X S+ 0 0 57 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.899 108.7 54.5 -55.4 -44.8 -8.3 0.6 13.4 136 153 A D H X S+ 0 0 111 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.870 105.0 53.3 -58.4 -40.7 -6.3 -1.1 16.3 137 154 A Y H X S+ 0 0 5 -4,-1.6 4,-3.1 -3,-0.2 -1,-0.2 0.929 106.5 52.4 -60.3 -45.1 -4.7 2.2 17.2 138 155 A E H X S+ 0 0 61 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.869 112.0 45.0 -62.4 -39.5 -8.1 3.9 17.5 139 156 A Q H X S+ 0 0 102 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.943 112.3 51.9 -65.3 -49.2 -9.4 1.1 19.8 140 157 A D H X S+ 0 0 49 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.906 111.6 49.5 -50.9 -43.6 -6.1 1.3 21.8 141 158 A L H X S+ 0 0 9 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.957 111.2 45.0 -64.0 -53.7 -6.6 5.1 22.1 142 159 A K H X S+ 0 0 135 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.899 116.4 47.7 -59.8 -42.7 -10.3 4.9 23.3 143 160 A E H X S+ 0 0 108 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.844 112.0 50.5 -63.8 -35.9 -9.4 2.2 25.8 144 161 A T H >X S+ 0 0 9 -4,-2.0 3,-0.8 -5,-0.3 4,-0.6 0.830 99.8 62.4 -76.2 -32.3 -6.3 4.2 27.0 145 162 A K H >< S+ 0 0 80 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.885 99.3 56.8 -58.7 -39.9 -8.2 7.5 27.6 146 163 A T H 3< S+ 0 0 122 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.779 103.8 53.8 -61.7 -28.4 -10.3 5.7 30.3 147 164 A K H << S+ 0 0 48 -3,-0.8 2,-0.5 -4,-0.5 -1,-0.2 0.581 89.7 91.1 -83.7 -11.3 -7.1 4.7 32.2 148 165 A I S << S- 0 0 8 -3,-1.1 127,-0.1 -4,-0.6 128,-0.0 -0.780 77.0-125.1 -97.4 125.0 -5.7 8.2 32.4 149 166 A N > - 0 0 106 -2,-0.5 4,-2.0 1,-0.1 -2,-0.1 -0.231 16.2-117.2 -69.6 150.1 -6.7 10.3 35.5 150 167 A D H > S+ 0 0 122 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.895 112.4 53.4 -48.1 -53.7 -8.3 13.7 35.4 151 168 A K H >4 S+ 0 0 71 1,-0.2 3,-1.4 2,-0.2 4,-0.2 0.952 108.8 49.5 -50.3 -55.8 -5.4 15.5 37.2 152 169 A A H >4 S+ 0 0 10 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.890 107.6 55.0 -50.4 -45.6 -2.9 14.2 34.6 153 170 A K H 3< S+ 0 0 48 -4,-2.0 34,-0.5 1,-0.3 -1,-0.3 0.725 110.2 46.1 -63.4 -23.5 -5.2 15.3 31.8 154 171 A D T << S+ 0 0 137 -3,-1.4 -1,-0.3 -4,-1.2 -2,-0.2 0.223 93.6 108.3-103.1 12.4 -5.2 18.9 33.1 155 172 A S S < S- 0 0 14 -3,-1.6 2,-0.7 -4,-0.2 32,-0.4 -0.324 77.7-107.3 -82.8 168.2 -1.4 19.0 33.7 156 173 A K + 0 0 83 54,-0.1 56,-2.3 30,-0.1 57,-2.0 -0.890 46.3 177.2 -99.5 110.0 1.1 21.0 31.7 157 174 A A E -h 213 0E 0 -2,-0.7 2,-0.3 30,-0.4 57,-0.2 -0.941 9.9-171.2-125.0 139.0 3.1 18.5 29.6 158 175 A L E -h 214 0E 0 55,-2.5 57,-3.1 -2,-0.4 2,-0.5 -0.934 15.6-151.1-128.1 146.9 5.9 19.1 27.1 159 176 A V E -h 215 0E 1 -2,-0.3 2,-0.4 55,-0.2 11,-0.3 -0.988 23.5-178.4-114.2 117.5 7.8 16.9 24.5 160 177 A I E -h 216 0E 0 55,-2.9 57,-2.7 -2,-0.5 2,-0.4 -0.931 15.3-157.6-113.3 145.0 11.4 18.2 23.8 161 178 A R E -hI 217 168E 10 7,-1.8 7,-1.6 -2,-0.4 2,-0.6 -0.988 12.4-146.0-118.7 123.9 14.0 16.8 21.4 162 179 A I E +hI 218 167E 3 55,-2.2 57,-0.6 -2,-0.4 2,-0.4 -0.789 24.6 173.4 -92.3 114.8 17.7 17.6 22.1 163 180 A R E > - I 0 166E 35 3,-2.2 3,-1.8 -2,-0.6 60,-0.2 -0.994 68.0 -10.0-129.6 132.0 19.7 17.9 18.9 164 181 A Q T 3 S- 0 0 47 58,-2.5 59,-0.2 -2,-0.4 -1,-0.2 0.892 130.7 -56.4 43.5 46.4 23.3 19.1 18.6 165 182 A G T 3 S+ 0 0 26 61,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.608 115.2 114.0 66.6 15.8 23.0 20.0 22.3 166 183 A N E < -I 163 0E 74 -3,-1.8 -3,-2.2 36,-0.0 2,-0.5 -0.857 65.6-119.3-116.6 154.7 20.0 22.3 21.8 167 184 A I E -I 162 0E 14 34,-0.5 34,-2.9 -2,-0.3 2,-0.4 -0.797 30.8-171.8 -94.1 129.1 16.4 22.0 23.0 168 185 A Y E -IJ 161 200E 49 -7,-1.6 -7,-1.8 -2,-0.5 2,-0.2 -0.922 9.6-170.8-121.6 144.7 13.7 21.9 20.4 169 186 A I E - J 0 199E 2 30,-2.8 30,-2.6 -2,-0.4 -9,-0.1 -0.722 14.5-146.7-121.0 174.3 9.9 22.0 20.6 170 187 A Y - 0 0 5 -11,-0.3 25,-0.2 -2,-0.2 28,-0.1 -0.917 23.3 -83.8-143.7 158.9 7.4 21.4 17.8 171 188 A P > - 0 0 19 0, 0.0 3,-1.5 0, 0.0 6,-0.2 -0.098 49.8 -98.6 -61.7 170.8 4.0 22.5 16.5 172 189 A E T 3 S+ 0 0 77 20,-0.5 10,-0.3 23,-0.3 9,-0.3 0.764 122.7 39.8 -63.3 -30.5 0.7 20.9 17.9 173 190 A Q T 3 S+ 0 0 58 4,-0.1 -63,-1.2 5,-0.1 -62,-0.8 0.081 103.4 89.0-107.4 21.3 0.3 18.5 15.0 174 191 A V B X S-G 109 0D 16 -3,-1.5 3,-1.4 -65,-0.2 4,-0.2 -0.875 88.9 -12.7-122.7 150.7 4.0 17.6 14.7 175 192 A Y T > S- 0 0 3 -67,-0.6 3,-0.6 -2,-0.3 4,-0.1 -0.293 126.4 -27.8 61.3-143.2 6.1 14.9 16.3 176 193 A F T >> S+ 0 0 1 1,-0.2 3,-2.4 2,-0.1 4,-2.1 0.614 117.7 94.0 -77.3 -13.7 4.4 13.3 19.3 177 194 A N H <>>S+ 0 0 1 -3,-1.4 4,-2.9 1,-0.3 5,-1.2 0.805 76.0 60.7 -54.0 -34.7 2.3 16.4 20.0 178 195 A S H <4>S+ 0 0 12 -3,-0.6 5,-1.5 -4,-0.2 -1,-0.3 0.717 112.8 40.4 -64.6 -19.8 -0.7 15.2 17.9 179 196 A T H <4>S+ 0 0 0 -3,-2.4 5,-2.0 3,-0.2 -2,-0.2 0.856 118.7 43.2 -93.6 -43.9 -0.8 12.2 20.3 180 197 A L H <5S+ 0 0 0 -4,-2.1 6,-1.4 3,-0.2 -2,-0.2 0.932 133.9 17.3 -66.7 -48.1 -0.2 14.1 23.6 181 198 A Y T X5S+ 0 0 8 -4,-2.9 4,-0.6 -9,-0.3 -3,-0.2 0.888 132.5 39.7 -94.3 -45.2 -2.4 17.0 22.9 182 199 A G T 4> - 0 0 10 0, 0.0 4,-2.3 0, 0.0 3,-1.1 -0.322 21.9-103.5 -75.8 163.6 0.9 25.2 25.9 190 207 A N H 3> S+ 0 0 127 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.850 118.2 55.9 -54.8 -46.4 1.3 28.6 24.2 191 208 A E H 3> S+ 0 0 45 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.819 111.9 44.8 -59.6 -32.7 4.9 28.1 23.1 192 209 A V H <4 S+ 0 0 1 -3,-1.1 -20,-0.5 2,-0.2 3,-0.4 0.881 110.4 53.4 -76.9 -42.0 3.8 24.9 21.2 193 210 A K H < S+ 0 0 111 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.801 111.8 47.7 -57.8 -29.7 0.7 26.7 19.8 194 211 A A H < S+ 0 0 48 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.691 86.6 106.5 -87.3 -22.5 3.0 29.4 18.5 195 212 A A < - 0 0 8 -4,-0.8 -23,-0.3 -3,-0.4 3,-0.1 -0.403 41.5-179.5 -63.3 130.7 5.6 27.0 16.9 196 213 A K S S- 0 0 187 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.504 70.5 -9.4-108.3 -12.0 5.4 26.9 13.1 197 214 A A S S- 0 0 59 -28,-0.1 -1,-0.2 -23,-0.0 -28,-0.1 -0.917 113.2 -36.8-161.6-179.7 8.2 24.4 12.6 198 215 A Q S S- 0 0 86 -2,-0.3 2,-0.4 -28,-0.1 -28,-0.2 -0.376 75.2-165.1 -46.4 120.3 10.8 22.6 14.7 199 216 A E E -J 169 0E 79 -30,-2.6 -30,-2.8 -2,-0.1 2,-0.2 -0.960 20.0-123.1-126.5 133.6 11.7 25.6 16.9 200 217 A L E -J 168 0E 103 -2,-0.4 2,-0.4 -32,-0.2 -32,-0.2 -0.514 29.2-168.4 -70.1 137.7 14.6 26.2 19.2 201 218 A I - 0 0 14 -34,-2.9 -34,-0.5 -2,-0.2 2,-0.2 -0.999 14.5-130.8-132.3 136.2 13.7 26.9 22.9 202 219 A S > - 0 0 55 -2,-0.4 4,-2.3 1,-0.1 5,-0.1 -0.492 16.9-127.2 -83.0 152.3 16.0 28.2 25.7 203 220 A L H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.917 114.4 60.1 -59.0 -40.8 16.2 26.6 29.1 204 221 A E H > S+ 0 0 129 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.908 107.7 42.8 -52.2 -47.9 15.5 30.1 30.3 205 222 A K H >> S+ 0 0 91 1,-0.2 4,-1.8 2,-0.2 3,-1.0 0.885 109.8 57.2 -66.9 -39.3 12.2 30.1 28.5 206 223 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.3 -2,-0.2 0.878 99.8 59.5 -59.2 -37.4 11.4 26.6 29.6 207 224 A S H 3< S+ 0 0 37 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.726 106.0 48.2 -69.4 -21.9 11.8 27.6 33.3 208 225 A E H << S+ 0 0 135 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.847 108.8 51.6 -79.8 -42.4 9.0 30.2 32.7 209 226 A M H < S- 0 0 3 -4,-1.8 -2,-0.2 1,-0.0 -3,-0.1 0.913 87.5-171.7 -58.0 -43.4 6.7 27.6 31.1 210 227 A N < - 0 0 64 -4,-2.7 -3,-0.1 -5,-0.2 -54,-0.1 0.858 10.7-157.3 52.6 50.3 7.4 25.4 34.2 211 228 A P - 0 0 0 0, 0.0 33,-1.2 0, 0.0 -54,-0.2 -0.066 20.7-138.2 -56.0 152.3 5.7 22.2 32.9 212 229 A D S S+ 0 0 38 -56,-2.3 2,-0.4 1,-0.3 -55,-0.2 0.819 91.1 23.3 -74.3 -37.5 4.4 19.5 35.1 213 230 A H E -h 157 0E 15 -57,-2.0 -55,-2.5 2,-0.0 2,-0.4 -0.999 65.6-169.2-136.1 133.6 5.8 16.7 32.9 214 231 A I E -hk 158 250E 0 35,-2.1 37,-2.6 -2,-0.4 2,-0.7 -0.989 9.1-158.4-125.4 123.7 8.6 16.7 30.3 215 232 A F E -hk 159 251E 0 -57,-3.1 -55,-2.9 -2,-0.4 2,-0.5 -0.907 17.4-162.0 -94.0 115.4 9.2 14.0 27.9 216 233 A V E -hk 160 252E 0 35,-1.8 37,-3.0 -2,-0.7 2,-0.5 -0.897 5.0-164.4-102.8 122.7 12.9 14.3 26.8 217 234 A Q E +h 161 0E 2 -57,-2.7 -55,-2.2 -2,-0.5 2,-0.4 -0.942 13.9 175.3-109.6 122.7 14.0 12.6 23.6 218 235 A F E -h 162 0E 14 -2,-0.5 2,-0.4 -57,-0.2 40,-0.1 -0.962 10.9-177.3-138.3 115.5 17.8 12.2 23.1 219 236 A S > - 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