==== 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 07-MAY-07 2PT2 . COMPND 2 MOLECULE: IRON TRANSPORT PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR N.M.KOROPATKIN,A.M.RANDICH,M.BHATTACHRYYA-PAKRASI,H.B.PAKRAS . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13214.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 9.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 14 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 0 1 0 0 4 1 2 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 0 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 0 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 0 0 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 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 45 A Q 0 0 130 0, 0.0 27,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 134.0 41.6 0.2 37.8 2 46 A E E -a 28 0A 91 25,-0.2 2,-0.3 27,-0.0 27,-0.2 -0.983 360.0-149.1-156.1 159.3 40.0 -1.8 35.0 3 47 A I E -a 29 0A 0 25,-2.1 27,-2.7 -2,-0.3 2,-0.8 -0.981 16.2-133.9-134.6 147.4 36.6 -2.7 33.7 4 48 A N E -a 30 0A 27 47,-0.4 49,-3.0 -2,-0.3 50,-1.7 -0.891 26.5-163.4-104.4 106.5 35.4 -5.8 31.8 5 49 A L E -ab 31 54A 0 25,-2.7 27,-2.5 -2,-0.8 2,-0.7 -0.812 11.5-165.5 -96.5 125.5 33.4 -4.6 28.8 6 50 A Y E +ab 32 55A 1 48,-2.8 50,-2.9 -2,-0.5 2,-0.4 -0.942 25.5 179.2-107.4 109.7 31.1 -7.1 27.0 7 51 A S E -ab 33 56A 0 25,-2.5 27,-1.4 -2,-0.7 50,-0.2 -0.945 39.5-173.0-127.0 136.7 30.2 -5.4 23.7 8 52 A S + 0 0 12 48,-2.2 2,-0.2 -2,-0.4 28,-0.2 0.322 59.0 115.6 -97.8 4.4 28.1 -6.2 20.7 9 53 A R - 0 0 2 47,-0.2 25,-0.2 1,-0.1 -2,-0.1 -0.580 46.8-170.6 -70.3 142.3 29.4 -3.1 18.9 10 54 A H + 0 0 91 -2,-0.2 2,-0.3 23,-0.1 -1,-0.1 -0.239 32.3 127.9-132.8 44.5 31.4 -4.3 15.9 11 55 A Y > - 0 0 26 1,-0.1 3,-1.5 0, 0.0 4,-0.4 -0.785 62.0-131.7-110.2 148.9 33.2 -1.2 14.5 12 56 A N T 3 S+ 0 0 122 -2,-0.3 4,-0.3 1,-0.3 -1,-0.1 0.556 109.7 59.6 -70.2 -4.7 36.9 -0.6 13.7 13 57 A T T 3> S+ 0 0 17 1,-0.1 4,-2.1 2,-0.1 -1,-0.3 0.567 81.1 84.0 -96.8 -12.5 36.5 2.7 15.6 14 58 A D H <> S+ 0 0 1 -3,-1.5 4,-2.6 1,-0.2 5,-0.3 0.884 85.6 56.8 -57.4 -41.2 35.6 1.0 18.9 15 59 A N H > S+ 0 0 129 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.920 109.9 43.4 -59.0 -44.6 39.2 0.4 19.7 16 60 A E H > S+ 0 0 99 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.857 110.9 57.3 -68.7 -34.9 40.0 4.1 19.5 17 61 A L H X S+ 0 0 1 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.951 110.9 41.6 -58.0 -51.9 36.8 4.9 21.4 18 62 A Y H X S+ 0 0 9 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.848 111.5 56.2 -65.3 -36.9 37.9 2.8 24.3 19 63 A A H X S+ 0 0 51 -4,-2.0 4,-2.9 -5,-0.3 -1,-0.2 0.899 103.6 54.9 -61.8 -40.7 41.5 4.1 24.1 20 64 A K H X S+ 0 0 84 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.898 107.4 51.1 -57.4 -43.0 40.0 7.6 24.4 21 65 A F H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 6,-0.4 0.934 112.3 44.2 -60.5 -50.2 38.4 6.5 27.6 22 66 A T H X S+ 0 0 47 -4,-2.2 4,-3.4 1,-0.2 -2,-0.2 0.893 111.3 53.3 -63.4 -42.1 41.6 5.0 29.1 23 67 A A H < S+ 0 0 93 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.776 115.2 42.9 -64.8 -26.0 43.6 8.1 28.1 24 68 A E H < S+ 0 0 148 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.815 132.2 17.8 -88.4 -34.5 41.1 10.2 29.9 25 69 A T H < S- 0 0 52 -4,-2.3 -3,-0.2 2,-0.2 -2,-0.2 0.578 89.0-125.2-115.8 -15.3 40.6 8.2 33.0 26 70 A G < + 0 0 57 -4,-3.4 2,-0.5 -5,-0.3 -4,-0.2 0.461 64.6 139.4 80.9 -0.4 43.5 5.8 33.3 27 71 A I - 0 0 5 -6,-0.4 -1,-0.3 -5,-0.1 -25,-0.2 -0.680 51.0-130.3 -84.9 123.8 41.0 2.9 33.5 28 72 A K E -a 2 0A 121 -27,-2.3 -25,-2.1 -2,-0.5 2,-0.6 -0.386 13.4-143.1 -70.9 146.0 42.0 -0.2 31.6 29 73 A V E -a 3 0A 28 -27,-0.2 2,-0.6 -2,-0.1 -25,-0.2 -0.933 10.8-168.5-117.1 112.0 39.5 -1.8 29.2 30 74 A N E -a 4 0A 42 -27,-2.7 -25,-2.7 -2,-0.6 2,-0.4 -0.885 23.3-150.1 -95.7 120.0 39.4 -5.5 29.0 31 75 A L E +a 5 0A 66 -2,-0.6 2,-0.4 -27,-0.2 -25,-0.2 -0.790 25.6 178.1-105.8 137.6 37.2 -6.3 26.0 32 76 A I E -a 6 0A 37 -27,-2.5 -25,-2.5 -2,-0.4 2,-0.3 -0.977 17.9-170.3-130.1 112.5 34.9 -9.3 25.2 33 77 A E E +a 7 0A 114 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.731 23.6 115.3-106.9 157.1 33.0 -9.0 21.9 34 78 A G - 0 0 25 -27,-1.4 2,-0.2 -2,-0.3 -2,-0.0 -0.949 65.3 -49.0 168.5 179.9 30.2 -11.1 20.4 35 79 A K >> - 0 0 108 -2,-0.3 4,-2.4 1,-0.1 3,-0.5 -0.496 55.6-112.1 -75.4 147.7 26.6 -10.9 19.4 36 80 A A H 3> S+ 0 0 5 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.892 116.4 47.3 -42.5 -59.5 24.1 -9.4 21.9 37 81 A D H 3> S+ 0 0 68 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.850 112.0 51.4 -55.0 -38.7 22.3 -12.6 22.6 38 82 A E H <> S+ 0 0 120 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.896 109.8 49.5 -65.9 -41.6 25.6 -14.5 23.1 39 83 A L H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.884 110.5 49.2 -66.6 -39.5 26.9 -11.9 25.5 40 84 A L H X S+ 0 0 19 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.889 112.0 49.2 -67.6 -38.7 23.7 -11.9 27.6 41 85 A E H X S+ 0 0 116 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.910 110.5 50.7 -65.7 -42.0 23.8 -15.7 27.8 42 86 A R H X S+ 0 0 109 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.954 110.8 48.5 -60.6 -50.2 27.5 -15.7 28.8 43 87 A I H X S+ 0 0 8 -4,-2.4 4,-0.5 1,-0.2 3,-0.4 0.930 113.6 45.9 -57.2 -49.6 26.8 -13.2 31.6 44 88 A K H >< S+ 0 0 96 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.896 114.4 48.4 -62.8 -38.8 23.9 -15.1 33.0 45 89 A S H 3< S+ 0 0 93 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.718 102.4 63.9 -74.9 -18.9 25.8 -18.4 32.8 46 90 A E H >< S- 0 0 58 -4,-1.7 3,-0.6 -3,-0.4 -1,-0.2 0.587 96.8-151.3 -81.0 -9.6 28.9 -16.9 34.5 47 91 A G G X< - 0 0 38 -3,-0.9 3,-1.5 -4,-0.5 -1,-0.2 -0.173 42.4 -33.1 77.8-167.8 27.0 -16.3 37.7 48 92 A A G 3 S+ 0 0 74 1,-0.3 -1,-0.2 192,-0.0 -4,-0.0 0.605 135.6 53.9 -68.3 -13.8 27.3 -13.8 40.5 49 93 A N G < S+ 0 0 158 -3,-0.6 -1,-0.3 194,-0.0 -2,-0.1 0.109 75.6 142.2-108.6 20.5 31.1 -13.7 40.1 50 94 A S < - 0 0 4 -3,-1.5 -7,-0.1 -7,-0.2 -3,-0.0 -0.304 54.9-133.4 -58.6 144.2 31.0 -12.9 36.4 51 95 A P + 0 0 58 0, 0.0 -47,-0.4 0, 0.0 -1,-0.1 0.730 66.2 125.0 -72.9 -21.6 33.8 -10.4 35.4 52 96 A A + 0 0 0 1,-0.2 -47,-0.2 190,-0.1 189,-0.1 -0.113 25.3 164.4 -46.6 119.9 31.3 -8.4 33.4 53 97 A D + 0 0 1 -49,-3.0 186,-1.9 1,-0.4 2,-0.4 0.764 68.5 21.4-102.7 -42.3 31.2 -4.7 34.4 54 98 A V E -bC 5 238A 0 -50,-1.7 -48,-2.8 184,-0.3 2,-0.5 -0.985 59.6-155.0-134.6 141.0 29.4 -3.3 31.4 55 99 A L E -bC 6 237A 5 182,-2.4 182,-1.6 -2,-0.4 2,-0.4 -0.973 17.5-171.4-115.8 120.4 27.1 -4.6 28.7 56 100 A L E +bC 7 236A 0 -50,-2.9 -48,-2.2 -2,-0.5 2,-0.2 -0.942 7.2 175.4-116.9 132.0 27.0 -2.7 25.5 57 101 A T E - C 0 235A 2 178,-2.7 178,-0.6 -2,-0.4 -48,-0.1 -0.754 36.2-141.6-126.7 174.1 24.6 -3.3 22.7 58 102 A V S S+ 0 0 3 176,-0.3 2,-0.3 -2,-0.2 176,-0.2 -0.216 86.4 66.5-125.9 35.6 23.6 -1.8 19.3 59 103 A D > - 0 0 0 176,-0.1 4,-0.9 1,-0.1 176,-0.2 -0.930 64.7-150.5-159.7 133.1 19.9 -2.5 19.9 60 104 A L H > S+ 0 0 6 -2,-0.3 4,-1.6 1,-0.2 3,-0.2 0.877 96.9 57.0 -73.1 -38.2 17.4 -1.1 22.3 61 105 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.852 103.3 52.5 -63.0 -38.5 15.2 -4.2 22.5 62 106 A R H > S+ 0 0 15 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.841 106.8 54.9 -66.4 -32.1 18.1 -6.5 23.6 63 107 A L H X S+ 0 0 0 -4,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.881 105.9 52.7 -66.4 -38.0 18.7 -3.9 26.4 64 108 A W H X S+ 0 0 62 -4,-1.6 4,-2.8 1,-0.2 -2,-0.2 0.945 108.8 48.1 -61.6 -49.6 15.1 -4.4 27.4 65 109 A R H X S+ 0 0 77 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.815 110.8 52.6 -62.1 -31.4 15.4 -8.1 27.6 66 110 A A H <>S+ 0 0 0 -4,-1.7 5,-2.0 2,-0.2 6,-0.3 0.944 111.6 44.3 -69.2 -47.9 18.6 -7.7 29.6 67 111 A E H ><5S+ 0 0 42 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.882 110.1 57.2 -63.4 -37.2 16.9 -5.4 32.1 68 112 A E H 3<5S+ 0 0 118 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.886 105.7 49.6 -59.6 -40.3 13.9 -7.8 32.2 69 113 A D T 3<5S- 0 0 87 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.252 118.1-117.0 -82.8 11.5 16.2 -10.6 33.2 70 114 A G T < 5 + 0 0 35 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.834 69.1 139.3 57.6 41.7 17.6 -8.4 35.9 71 115 A I < + 0 0 7 -5,-2.0 169,-3.5 168,-0.1 170,-0.4 0.695 53.3 70.3 -88.4 -17.5 21.2 -8.2 34.7 72 116 A F B -G 239 0B 6 167,-0.3 167,-0.2 -6,-0.3 23,-0.1 -0.569 65.4-145.4-100.2 161.8 21.7 -4.5 35.4 73 117 A Q - 0 0 33 165,-2.1 165,-0.5 21,-0.3 168,-0.0 -0.928 36.8 -93.2-120.8 147.8 22.0 -2.4 38.5 74 118 A P - 0 0 73 0, 0.0 2,-0.4 0, 0.0 20,-0.2 -0.291 36.5-165.3 -61.7 141.0 20.7 1.2 38.9 75 119 A V - 0 0 8 18,-1.7 2,-0.6 17,-0.2 20,-0.1 -0.997 7.6-167.7-130.8 127.8 22.9 4.1 38.1 76 120 A Q + 0 0 124 -2,-0.4 2,-0.4 4,-0.0 3,-0.1 -0.940 21.7 161.0-117.3 105.6 22.1 7.7 39.2 77 121 A S > - 0 0 6 -2,-0.6 4,-2.4 1,-0.1 5,-0.2 -0.994 37.1-148.5-129.4 128.9 24.5 10.1 37.4 78 122 A E H > S+ 0 0 128 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.911 102.8 50.5 -61.3 -41.7 23.9 13.8 36.9 79 123 A I H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.893 110.4 49.5 -64.3 -39.3 25.7 13.8 33.6 80 124 A L H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.915 111.4 49.1 -65.7 -42.5 23.7 10.8 32.3 81 125 A E H < S+ 0 0 95 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.899 117.4 39.6 -65.2 -41.7 20.4 12.5 33.3 82 126 A T H < S+ 0 0 118 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.904 121.9 40.4 -75.4 -42.0 21.2 15.8 31.7 83 127 A N H < S+ 0 0 22 -4,-2.5 192,-0.2 -5,-0.2 -2,-0.2 0.819 107.5 64.7 -77.8 -33.3 22.9 14.5 28.5 84 128 A V S < S- 0 0 2 -4,-2.3 5,-0.1 -5,-0.3 -1,-0.1 -0.828 87.5-121.2 -98.7 122.7 20.6 11.5 27.8 85 129 A P > - 0 0 40 0, 0.0 3,-2.3 0, 0.0 12,-0.2 -0.298 24.9-119.6 -57.0 140.1 17.0 12.3 26.8 86 130 A E G > S+ 0 0 150 1,-0.3 3,-1.5 2,-0.2 -2,-0.0 0.849 112.2 57.1 -50.5 -40.7 14.6 10.6 29.3 87 131 A Y G 3 S+ 0 0 110 1,-0.3 -1,-0.3 3,-0.0 210,-0.0 0.583 103.4 56.2 -71.4 -6.9 12.9 8.6 26.5 88 132 A L G < S+ 0 0 3 -3,-2.3 9,-2.3 9,-0.1 2,-0.3 0.209 104.5 55.2-109.0 14.5 16.3 7.1 25.6 89 133 A R B < S-D 96 0A 42 -3,-1.5 7,-0.2 7,-0.2 146,-0.0 -0.977 93.9 -83.9-144.1 157.2 17.2 5.7 29.0 90 134 A S > - 0 0 2 5,-2.9 3,-2.3 -2,-0.3 -2,-0.1 -0.364 30.8-133.4 -61.9 132.6 15.7 3.3 31.6 91 135 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.760 111.1 45.1 -57.1 -24.6 13.2 5.0 34.0 92 136 A D T 3 S- 0 0 111 3,-0.1 -17,-0.2 -16,-0.0 -2,-0.1 0.061 120.7-107.6-108.8 23.3 15.1 3.2 36.8 93 137 A G S < S+ 0 0 11 -3,-2.3 -18,-1.7 -19,-0.2 -20,-0.1 0.784 79.3 131.1 57.2 33.2 18.6 4.0 35.5 94 138 A M S S- 0 0 40 1,-0.2 144,-0.4 -20,-0.2 2,-0.3 0.815 73.9 -0.0 -82.7 -35.0 19.3 0.4 34.4 95 139 A W - 0 0 21 142,-0.2 -5,-2.9 -23,-0.1 2,-0.3 -0.976 61.3-154.6-152.0 161.9 20.5 1.3 30.9 96 140 A F E -DE 89 236A 8 140,-2.7 140,-2.3 -2,-0.3 2,-0.3 -0.999 15.8-131.5-145.4 137.9 21.2 4.3 28.7 97 141 A G E + E 0 235A 0 -9,-2.3 138,-0.3 -2,-0.3 3,-0.1 -0.679 21.9 175.9 -86.2 142.4 21.4 5.0 24.9 98 142 A F E + 0 0 0 136,-2.9 175,-0.8 -2,-0.3 2,-0.3 0.462 64.8 27.1-124.3 -7.5 24.4 6.9 23.8 99 143 A T E -FE 272 234A 0 135,-1.1 135,-1.4 173,-0.2 2,-0.4 -0.969 65.1-146.1-147.6 160.2 24.0 6.9 20.0 100 144 A K E -FE 271 233A 42 171,-2.7 171,-3.0 -2,-0.3 2,-0.3 -0.960 12.7-177.5-129.8 147.0 21.1 6.7 17.6 101 145 A R E - E 0 232A 1 131,-2.4 131,-2.9 -2,-0.4 2,-0.4 -0.993 17.1-139.4-143.6 142.4 20.9 5.2 14.1 102 146 A A E - E 0 231A 0 -2,-0.3 94,-2.4 129,-0.2 2,-0.9 -0.876 8.3-141.7-107.5 135.6 18.0 5.1 11.6 103 147 A R E +H 195 0C 2 127,-2.1 127,-0.4 -2,-0.4 92,-0.3 -0.856 42.0 169.1 -95.4 106.8 17.1 2.0 9.6 104 148 A V E -H 194 0C 0 90,-2.5 90,-2.2 -2,-0.9 2,-0.4 -0.665 40.7 -92.4-118.6 171.2 16.2 3.5 6.3 105 149 A I E -HI 193 220C 0 115,-2.0 115,-2.8 -2,-0.2 2,-0.5 -0.697 35.4-166.0 -83.4 128.7 15.4 2.6 2.7 106 150 A M E -HI 192 219C 0 86,-2.6 86,-2.0 -2,-0.4 2,-0.3 -0.982 14.8-176.0-118.5 122.9 18.5 2.8 0.5 107 151 A Y E -HI 191 218C 26 111,-1.7 111,-3.0 -2,-0.5 2,-0.6 -0.862 34.3-103.8-125.4 155.0 17.8 2.7 -3.2 108 152 A N E >> - I 0 217C 19 82,-2.7 4,-2.3 -2,-0.3 3,-0.7 -0.634 29.6-147.7 -75.2 118.6 19.5 2.6 -6.6 109 153 A K T 34 S+ 0 0 100 107,-2.4 -1,-0.2 -2,-0.6 108,-0.1 0.790 94.2 53.1 -57.0 -34.9 19.3 6.2 -8.0 110 154 A G T 34 S+ 0 0 71 106,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.777 119.4 32.2 -75.2 -26.8 19.1 5.0 -11.6 111 155 A K T <4 S+ 0 0 139 -3,-0.7 2,-0.4 1,-0.2 -2,-0.2 0.618 118.7 49.9-104.4 -17.0 16.2 2.6 -11.0 112 156 A V < - 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0 0 1 -2,-0.3 40,-0.2 37,-0.3 3,-0.1 -0.969 38.7 -93.1-163.3 155.5 17.8 -7.4 3.0 135 179 A R - 0 0 27 58,-0.4 41,-0.1 -2,-0.3 40,-0.0 -0.166 64.2 -61.1 -69.5 171.0 20.0 -9.2 5.5 136 180 A S > - 0 0 35 39,-0.4 3,-1.5 1,-0.1 6,-0.3 -0.020 36.8-122.1 -54.7 151.5 18.8 -12.2 7.6 137 181 A S T 3 S+ 0 0 21 179,-2.5 -1,-0.1 1,-0.3 173,-0.1 0.589 107.2 75.9 -68.9 -10.9 15.9 -12.2 10.0 138 182 A S T 3 S+ 0 0 89 178,-0.1 -1,-0.3 4,-0.1 2,-0.2 0.750 74.8 98.9 -72.8 -21.9 18.4 -13.4 12.7 139 183 A N S <> S- 0 0 12 -3,-1.5 4,-1.9 1,-0.1 3,-0.3 -0.450 72.9-140.1 -70.6 133.9 19.8 -9.8 12.8 140 184 A E H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.771 99.0 62.9 -65.2 -29.3 18.6 -7.6 15.7 141 185 A Y H > S+ 0 0 5 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.929 110.1 41.8 -61.3 -43.5 18.3 -4.5 13.6 142 186 A N H > S+ 0 0 0 -3,-0.3 4,-2.5 -6,-0.3 5,-0.2 0.889 112.5 52.8 -69.8 -41.1 15.7 -6.3 11.5 143 187 A Q H X S+ 0 0 21 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.885 110.4 48.3 -64.5 -37.0 13.9 -7.9 14.5 144 188 A S H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.870 110.6 51.3 -70.8 -35.8 13.6 -4.5 16.2 145 189 A L H X S+ 0 0 0 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.938 111.2 47.0 -65.1 -46.2 12.2 -2.9 13.0 146 190 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.860 109.7 55.8 -63.1 -34.1 9.6 -5.7 12.6 147 191 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.904 104.1 52.3 -65.7 -39.5 8.8 -5.2 16.3 148 192 A S H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.855 108.2 51.8 -65.7 -31.8 8.1 -1.5 15.7 149 193 A L H X>S+ 0 0 0 -4,-1.6 4,-3.1 2,-0.2 5,-0.7 0.863 108.1 51.4 -70.9 -34.8 5.7 -2.5 12.9 150 194 A V H X5S+ 0 0 14 -4,-1.8 4,-1.7 3,-0.2 -2,-0.2 0.936 111.7 47.8 -64.7 -46.1 3.9 -4.9 15.3 151 195 A V H <5S+ 0 0 49 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.899 122.1 33.6 -60.9 -44.3 3.6 -2.0 17.8 152 196 A A H <5S+ 0 0 45 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.870 135.5 20.8 -82.4 -39.1 2.3 0.4 15.2 153 197 A D H <5S- 0 0 58 -4,-3.1 4,-0.4 -5,-0.2 -3,-0.2 0.650 105.5-115.7-106.2 -21.2 0.3 -1.8 12.9 154 198 A G X< - 0 0 29 -4,-1.7 4,-1.9 -5,-0.7 5,-0.2 -0.080 28.9 -80.9 100.8 157.7 -0.5 -4.9 15.0 155 199 A E H > S+ 0 0 112 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.913 122.9 52.0 -62.2 -48.3 0.5 -8.6 14.7 156 200 A E H > S+ 0 0 157 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.941 114.3 42.2 -54.6 -53.6 -2.1 -9.6 12.1 157 201 A S H > S+ 0 0 71 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.854 112.6 53.2 -64.7 -37.3 -1.2 -6.8 9.7 158 202 A T H X S+ 0 0 1 -4,-1.9 4,-3.2 2,-0.2 -1,-0.2 0.870 105.9 53.6 -68.1 -36.3 2.6 -7.2 10.2 159 203 A L H X S+ 0 0 27 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.934 110.7 47.3 -62.1 -44.0 2.4 -10.9 9.4 160 204 A A H X S+ 0 0 66 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.912 113.1 49.1 -62.8 -42.9 0.6 -10.0 6.1 161 205 A W H X S+ 0 0 16 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.949 108.8 52.3 -61.1 -50.1 3.2 -7.4 5.4 162 206 A A H X S+ 0 0 0 -4,-3.2 4,-3.1 1,-0.2 5,-0.2 0.892 107.3 51.7 -55.2 -44.1 6.2 -9.7 6.1 163 207 A K H X S+ 0 0 115 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.927 113.9 44.3 -60.7 -43.1 4.8 -12.3 3.7 164 208 A G H X S+ 0 0 18 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.895 113.1 51.0 -67.2 -40.5 4.5 -9.7 1.0 165 209 A F H >< S+ 0 0 0 -4,-3.0 3,-1.1 1,-0.2 4,-0.3 0.954 112.2 46.7 -61.3 -50.6 7.9 -8.2 1.8 166 210 A V H >< S+ 0 0 23 -4,-3.1 3,-1.9 1,-0.3 -1,-0.2 0.887 105.4 59.4 -60.9 -38.8 9.6 -11.7 1.6 167 211 A S H 3< S+ 0 0 67 -4,-2.1 -37,-0.3 1,-0.3 -1,-0.3 0.745 102.0 57.4 -62.8 -19.9 7.8 -12.5 -1.7 168 212 A N T << S+ 0 0 2 -3,-1.1 -36,-1.9 -4,-0.8 -37,-0.7 0.495 77.7 125.6 -88.5 -4.3 9.5 -9.4 -3.1 169 213 A F B < -j 132 0C 24 -3,-1.9 -36,-0.2 -4,-0.3 3,-0.1 -0.319 47.6-159.9 -60.6 131.1 13.1 -10.6 -2.3 170 214 A A S S+ 0 0 43 -38,-3.3 2,-0.3 1,-0.2 -37,-0.2 0.747 80.3 0.5 -80.3 -25.5 15.5 -10.7 -5.3 171 215 A R S S- 0 0 67 -39,-0.6 -37,-0.3 -37,-0.1 -1,-0.2 -0.958 91.8 -81.5-153.7 165.8 17.7 -13.2 -3.4 172 216 A E - 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