==== 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 BINDING PROTEIN 17-JUN-03 1PQ4 . COMPND 2 MOLECULE: PERIPLASMIC BINDING PROTEIN COMPONENT OF AN ABC T . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR S.BANERJEE,B.WEI,M.BHATTACHARYYA-PAKRASI,H.B.PAKRASI,T.J.SMI . 519 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23227.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 . 23 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 0 0 4 2 0 0 2 2 1 1 0 0 2 0 2 0 0 0 0 0 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 47 A D 0 0 198 0, 0.0 22,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -53.8 23.8 -1.3 -2.0 2 48 A A - 0 0 10 1,-0.1 2,-0.4 22,-0.1 22,-0.3 -0.198 360.0-112.1 -62.0 150.9 21.6 -1.3 1.1 3 49 A M E -a 24 0A 17 20,-2.7 22,-2.6 49,-0.0 2,-0.6 -0.676 25.9-130.5 -83.4 131.4 18.6 1.1 1.3 4 50 A D E +a 25 0A 31 -2,-0.4 49,-3.1 47,-0.3 50,-1.2 -0.751 34.8 175.2 -83.3 122.6 19.0 3.8 4.0 5 51 A I E -ab 26 54A 1 20,-2.4 22,-2.4 -2,-0.6 2,-0.4 -0.981 18.0-155.3-132.7 137.7 15.9 3.9 6.2 6 52 A T E -ab 27 55A 15 48,-2.3 50,-3.0 -2,-0.4 2,-0.3 -0.905 11.0-170.3-113.4 139.9 15.2 5.9 9.2 7 53 A V E -ab 28 56A 0 20,-2.5 22,-2.3 -2,-0.4 23,-0.2 -0.871 26.6-124.2-123.9 164.3 12.7 4.8 11.8 8 54 A S S S+ 0 0 0 48,-1.2 22,-2.7 -2,-0.3 -1,-0.1 0.945 84.6 20.0 -73.8 -46.9 11.2 6.7 14.8 9 55 A I S >> S- 0 0 0 20,-0.2 3,-1.4 19,-0.1 4,-0.6 -0.863 78.0-106.4-131.5 157.9 12.0 4.4 17.7 10 56 A P H >> S+ 0 0 16 0, 0.0 3,-1.8 0, 0.0 4,-1.0 0.833 112.6 60.3 -47.5 -45.4 14.3 1.5 18.6 11 57 A P H 3> S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 3,-0.5 0.850 99.1 60.1 -55.5 -32.3 11.7 -1.3 18.4 12 58 A Q H <> S+ 0 0 0 -3,-1.4 4,-2.6 1,-0.3 5,-0.2 0.780 95.6 60.7 -67.4 -21.8 11.2 -0.4 14.8 13 59 A Q H S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 5,-0.6 0.878 109.6 51.9 -63.7 -40.5 13.1 -3.5 10.0 17 63 A E H X5S+ 0 0 88 -4,-2.5 4,-1.7 3,-0.2 -1,-0.2 0.907 111.6 48.1 -61.5 -41.7 16.1 -5.8 10.6 18 64 A K H <5S+ 0 0 72 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.889 120.4 36.8 -65.6 -38.6 13.7 -8.9 10.5 19 65 A I H <5S+ 0 0 0 -4,-2.1 114,-0.2 -5,-0.2 115,-0.2 0.902 132.3 24.0 -83.3 -39.6 12.0 -7.7 7.3 20 66 A G H ><5S+ 0 0 0 -4,-3.4 3,-2.2 -5,-0.2 -3,-0.2 0.769 74.9 174.1-100.6 -29.9 15.0 -6.3 5.5 21 67 A G G >< - 0 0 43 0, 0.0 3,-1.9 0, 0.0 -2,-0.1 -0.282 23.9-118.6 -60.5 148.4 17.2 7.4 21.7 32 78 A G T 3 S+ 0 0 31 1,-0.3 204,-0.2 -23,-0.1 181,-0.1 0.694 111.6 51.3 -63.1 -18.6 16.0 4.4 23.7 33 79 A N T 3 S+ 0 0 114 2,-0.1 2,-0.3 180,-0.1 -1,-0.3 0.328 93.7 90.3-101.8 8.7 16.3 6.3 27.0 34 80 A N S < S- 0 0 53 -3,-1.9 179,-0.1 202,-0.1 180,-0.1 -0.754 84.6-108.7-104.0 153.9 14.2 9.4 26.0 35 81 A D > - 0 0 34 -2,-0.3 3,-1.3 178,-0.2 4,-0.4 -0.685 29.1-155.7 -75.6 114.3 10.5 10.0 26.3 36 82 A P G > S+ 0 0 8 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.795 85.7 67.4 -64.7 -28.4 9.4 9.8 22.6 37 83 A H G 3 S+ 0 0 69 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.662 112.2 28.8 -67.1 -18.9 6.3 12.0 23.3 38 84 A T G < S+ 0 0 109 -3,-1.3 -1,-0.2 2,-0.0 2,-0.1 0.242 91.5 127.6-123.4 10.4 8.4 15.1 24.1 39 85 A Y < - 0 0 17 -3,-0.7 -9,-0.1 -4,-0.4 -5,-0.0 -0.405 39.1-164.7 -70.1 141.9 11.4 14.3 21.9 40 86 A E - 0 0 134 -2,-0.1 26,-0.0 26,-0.0 -2,-0.0 -0.991 28.0-112.3-126.3 124.7 12.5 17.0 19.4 41 87 A P - 0 0 11 0, 0.0 -11,-0.1 0, 0.0 -12,-0.0 -0.234 31.2-120.2 -57.6 140.9 15.0 15.9 16.7 42 88 A K >> - 0 0 86 -13,-0.2 4,-2.1 1,-0.1 3,-1.0 -0.485 19.8-115.6 -78.9 152.1 18.5 17.3 16.9 43 89 A P H 3> S+ 0 0 95 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.897 116.4 55.7 -55.4 -40.7 19.9 19.4 14.0 44 90 A Q H 3> S+ 0 0 125 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.810 108.1 50.7 -61.9 -28.7 22.6 16.9 13.3 45 91 A Q H <> S+ 0 0 43 -3,-1.0 4,-1.3 2,-0.2 -1,-0.2 0.906 106.8 51.0 -74.7 -45.7 19.8 14.3 12.9 46 92 A L H < S+ 0 0 41 -4,-2.1 4,-0.2 1,-0.2 -2,-0.2 0.866 110.8 51.3 -60.6 -35.2 17.7 16.3 10.5 47 93 A A H >< S+ 0 0 65 -4,-2.0 3,-1.6 1,-0.2 -1,-0.2 0.899 106.3 53.2 -66.6 -42.2 20.9 16.8 8.4 48 94 A A H >< S+ 0 0 63 -4,-1.4 3,-1.7 1,-0.3 4,-0.3 0.768 93.4 75.5 -64.6 -23.8 21.6 13.1 8.3 49 95 A L G >< S+ 0 0 9 -4,-1.3 3,-1.2 1,-0.3 -1,-0.3 0.659 73.3 78.8 -62.7 -17.6 18.1 12.6 7.0 50 96 A S G < S+ 0 0 78 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.1 0.791 90.4 55.8 -64.1 -24.0 19.0 13.8 3.6 51 97 A E G < S+ 0 0 135 -3,-1.7 -47,-0.3 -4,-0.2 -1,-0.3 0.649 85.7 110.8 -76.8 -22.9 20.6 10.3 3.0 52 98 A A < - 0 0 8 -3,-1.2 -47,-0.2 -4,-0.3 3,-0.1 -0.356 46.4-170.7 -66.0 132.9 17.3 8.5 3.8 53 99 A E S S+ 0 0 81 -49,-3.1 25,-2.3 1,-0.3 2,-0.3 0.757 77.5 4.4 -87.1 -30.1 15.4 6.7 1.1 54 100 A A E -bc 5 78A 0 -50,-1.2 -48,-2.3 23,-0.3 2,-0.4 -0.985 58.2-147.7-151.3 162.8 12.4 6.1 3.4 55 101 A Y E -bc 6 79A 0 23,-2.7 25,-3.2 -2,-0.3 2,-0.8 -0.999 17.3-142.9-133.6 127.6 11.2 6.9 6.9 56 102 A V E -bc 7 80A 0 -50,-3.0 -48,-1.2 -2,-0.4 2,-0.3 -0.839 17.4-157.5-100.6 112.3 9.0 4.4 8.8 57 103 A L E - c 0 81A 17 23,-2.7 25,-1.8 -2,-0.8 26,-0.1 -0.587 22.6-149.2 -84.0 143.5 6.3 6.1 10.9 58 104 A I - 0 0 0 -2,-0.3 -1,-0.2 1,-0.2 2,-0.1 0.880 47.8-165.4 -71.5 -38.6 4.6 4.5 13.8 59 105 A G > + 0 0 7 23,-0.1 3,-2.5 1,-0.1 -1,-0.2 -0.463 54.7 102.8 89.7-164.1 1.7 6.6 12.7 60 106 A L T 3 S- 0 0 29 1,-0.3 37,-0.2 -2,-0.1 -1,-0.1 0.789 120.2 -58.6 52.3 32.3 -1.5 7.5 14.6 61 107 A G T > S+ 0 0 52 35,-0.1 3,-1.4 37,-0.1 -1,-0.3 0.416 104.4 128.0 82.8 -5.4 -0.1 10.9 15.3 62 108 A F T < S+ 0 0 13 -3,-2.5 -2,-0.1 1,-0.3 -1,-0.0 0.886 83.2 33.9 -51.0 -42.3 3.0 9.6 17.1 63 109 A E T >> S+ 0 0 5 1,-0.2 3,-2.2 2,-0.1 4,-1.5 0.351 82.2 116.1 -95.2 2.4 5.2 11.8 14.8 64 110 A Q T <4 S+ 0 0 66 -3,-1.4 4,-0.5 1,-0.3 3,-0.4 0.831 73.5 56.4 -41.0 -46.0 2.8 14.7 14.4 65 111 A P T 34 S+ 0 0 89 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.746 118.4 30.1 -60.7 -27.9 5.3 17.1 16.2 66 112 A W T <> S+ 0 0 4 -3,-2.2 4,-2.5 2,-0.1 5,-0.2 0.458 90.0 101.9-111.0 -6.0 8.2 16.4 13.8 67 113 A L H X S+ 0 0 49 -4,-1.5 4,-2.2 -3,-0.4 5,-0.2 0.886 82.8 45.9 -50.4 -50.0 6.3 15.7 10.7 68 114 A E H > S+ 0 0 132 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.889 113.7 51.1 -61.8 -38.2 6.8 19.0 8.9 69 115 A K H > S+ 0 0 88 -3,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.879 108.1 50.9 -68.8 -39.4 10.5 19.0 9.9 70 116 A L H X S+ 0 0 1 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.944 111.6 47.7 -61.6 -48.0 11.1 15.5 8.5 71 117 A K H < S+ 0 0 90 -4,-2.2 3,-0.2 1,-0.2 -2,-0.2 0.891 112.3 48.8 -60.8 -40.6 9.5 16.4 5.1 72 118 A A H < S+ 0 0 89 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.831 108.0 55.3 -68.8 -31.7 11.5 19.7 4.8 73 119 A A H < S+ 0 0 32 -4,-1.7 2,-0.3 1,-0.3 -1,-0.2 0.796 129.6 8.2 -72.7 -26.6 14.7 17.8 5.6 74 120 A N < + 0 0 14 -4,-1.3 -1,-0.3 -3,-0.2 3,-0.1 -0.757 59.4 178.9-157.7 103.6 14.2 15.4 2.8 75 121 A A S S+ 0 0 88 -3,-0.3 -3,-0.1 -2,-0.3 -4,-0.1 0.602 82.4 57.6 -84.2 -9.7 11.4 15.8 0.3 76 122 A N S S+ 0 0 155 -24,-0.1 -1,-0.2 -26,-0.1 2,-0.1 0.755 80.1 101.6 -92.7 -24.6 12.3 12.8 -1.6 77 123 A M S S- 0 0 13 -6,-0.1 2,-0.3 -3,-0.1 -23,-0.3 -0.326 74.3-119.1 -67.1 139.6 12.1 10.1 1.1 78 124 A K E -c 54 0A 34 -25,-2.3 -23,-2.7 -2,-0.1 2,-0.7 -0.573 18.1-140.9 -77.5 132.7 9.1 7.9 1.2 79 125 A L E -c 55 0A 64 -2,-0.3 2,-0.7 -25,-0.2 -23,-0.2 -0.857 15.1-158.8 -93.8 115.4 7.0 8.2 4.3 80 126 A I E -c 56 0A 2 -25,-3.2 -23,-2.7 -2,-0.7 2,-1.1 -0.860 4.5-152.6 -98.6 116.2 5.8 4.7 5.2 81 127 A D E > -c 57 0A 53 -2,-0.7 3,-1.5 1,-0.2 -23,-0.1 -0.714 11.6-174.3 -88.2 99.7 2.7 4.8 7.5 82 128 A S T 3 S+ 0 0 0 -25,-1.8 32,-0.2 -2,-1.1 -1,-0.2 0.666 75.1 67.1 -74.3 -9.6 3.0 1.5 9.4 83 129 A A T > + 0 0 6 -26,-0.1 3,-2.4 31,-0.1 -1,-0.3 0.415 69.1 141.7 -87.9 4.6 -0.3 2.0 11.2 84 130 A Q T < S+ 0 0 48 -3,-1.5 30,-0.1 1,-0.3 3,-0.1 -0.156 72.9 7.1 -53.0 128.7 -2.4 1.6 8.0 85 131 A G T 3 S+ 0 0 48 258,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.347 95.4 130.1 86.6 -4.9 -5.6 -0.3 8.5 86 132 A I < - 0 0 13 -3,-2.4 -1,-0.2 273,-0.0 276,-0.1 -0.682 53.4-140.1 -90.9 131.8 -5.3 -0.5 12.2 87 133 A T - 0 0 9 -2,-0.4 274,-0.4 274,-0.3 259,-0.1 -0.754 29.6-146.4 -86.4 118.9 -8.3 0.4 14.4 88 134 A P - 0 0 12 0, 0.0 2,-0.3 0, 0.0 259,-0.1 -0.323 8.9-123.9 -85.5 167.0 -6.8 2.3 17.5 89 135 A L - 0 0 38 9,-0.4 9,-3.2 -2,-0.1 2,-0.3 -0.678 34.8-120.8 -95.4 158.6 -7.8 2.6 21.1 90 136 A E B -D 97 0B 105 -2,-0.3 2,-0.9 7,-0.3 7,-0.2 -0.771 3.8-138.0-104.8 148.7 -8.4 6.1 22.3 91 137 A M S S- 0 0 79 5,-2.3 5,-0.0 -2,-0.3 6,-0.0 -0.870 92.4 -30.9-102.7 93.9 -6.5 7.8 25.1 92 138 A E 0 0 92 -2,-0.9 -1,-0.2 1,-0.3 5,-0.1 0.753 360.0 360.0 67.0 28.4 -9.5 9.5 26.8 93 139 A K 0 0 187 3,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.561 360.0 360.0 63.0 360.0 -11.3 9.9 23.5 94 ! 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 95 174 A M 0 0 119 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 92.5 -8.1 13.3 23.0 96 175 A V - 0 0 31 2,-0.0 -5,-2.3 -5,-0.0 -3,-0.3 -0.856 360.0 -33.9 139.9-175.9 -6.9 11.0 20.2 97 176 A A B -D 90 0B 26 -2,-0.3 -7,-0.3 -7,-0.2 0, 0.0 -0.525 51.9-119.1 -83.3 146.7 -5.6 7.6 19.3 98 177 A D - 0 0 7 -9,-3.2 -9,-0.4 -2,-0.2 3,-0.1 -0.776 25.2-163.2 -84.4 121.5 -3.3 5.6 21.5 99 178 A P + 0 0 7 0, 0.0 2,-2.3 0, 0.0 3,-0.4 0.504 57.7 105.9 -87.7 2.4 -0.1 5.2 19.5 100 179 A H > + 0 0 4 1,-0.2 3,-1.1 65,-0.2 69,-0.3 -0.103 34.5 130.6 -79.6 46.1 1.5 2.4 21.4 101 180 A I G > + 0 0 0 -2,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.616 52.4 77.6 -75.3 -8.2 0.8 -0.2 18.8 102 181 A W G 3 S+ 0 0 2 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.511 85.1 62.8 -81.5 -1.1 4.3 -1.6 18.6 103 182 A L G < S+ 0 0 1 -3,-1.1 -1,-0.2 63,-0.2 -2,-0.1 0.231 84.7 84.2-105.1 11.1 3.9 -3.5 21.8 104 183 A S <> - 0 0 0 -3,-1.2 4,-2.6 1,-0.1 5,-0.2 -0.951 62.9-158.2-112.0 112.1 1.1 -5.8 20.5 105 184 A P H > S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.888 96.1 55.5 -55.6 -35.3 2.5 -8.9 18.5 106 185 A T H > S+ 0 0 5 1,-0.2 4,-0.8 2,-0.2 3,-0.4 0.945 111.4 41.0 -62.2 -48.0 -0.9 -9.1 16.8 107 186 A L H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.805 107.1 63.3 -73.7 -25.5 -0.8 -5.5 15.6 108 187 A V H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.823 93.4 62.8 -69.3 -29.5 2.9 -5.8 14.7 109 188 A K H X S+ 0 0 3 -4,-1.4 4,-1.9 -3,-0.4 -1,-0.2 0.918 107.0 44.8 -54.0 -44.0 1.9 -8.5 12.1 110 189 A R H X S+ 0 0 93 -4,-0.8 4,-2.2 -3,-0.3 -2,-0.2 0.910 113.1 49.5 -66.9 -43.1 -0.0 -5.7 10.4 111 190 A Q H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.929 111.5 49.8 -61.6 -43.1 2.8 -3.2 10.7 112 191 A A H X S+ 0 0 0 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.878 109.1 50.8 -61.1 -43.6 5.2 -5.7 9.3 113 192 A T H X S+ 0 0 63 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.942 112.0 47.7 -60.0 -45.2 3.0 -6.5 6.3 114 193 A T H X S+ 0 0 9 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.933 113.3 48.6 -62.8 -46.6 2.7 -2.8 5.5 115 194 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 5,-0.2 0.940 112.0 46.4 -61.6 -46.5 6.4 -2.2 5.8 116 195 A A H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.928 112.0 52.1 -61.9 -44.3 7.4 -5.2 3.6 117 196 A K H X S+ 0 0 93 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.931 113.2 44.9 -58.7 -45.1 4.8 -4.3 1.0 118 197 A E H X S+ 0 0 51 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.893 112.1 50.7 -68.8 -36.5 6.2 -0.7 0.9 119 198 A L H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.841 107.1 54.3 -67.2 -35.1 9.9 -1.8 0.9 120 199 A A H < S+ 0 0 1 -4,-2.4 -1,-0.2 -5,-0.2 7,-0.2 0.833 107.1 52.3 -67.2 -29.5 9.2 -4.2 -2.1 121 200 A E H < S+ 0 0 107 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.833 113.0 44.4 -73.0 -33.1 7.7 -1.2 -4.0 122 201 A L H < S+ 0 0 72 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.776 128.3 26.9 -80.7 -26.6 10.8 0.8 -3.3 123 202 A D >< + 0 0 24 -4,-1.9 3,-2.1 -5,-0.1 -1,-0.2 -0.520 68.3 169.6-140.6 67.1 13.2 -2.0 -4.2 124 203 A P G > S+ 0 0 75 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.750 71.0 70.6 -49.5 -35.4 11.4 -4.4 -6.6 125 204 A D G 3 S+ 0 0 153 1,-0.3 3,-0.2 2,-0.1 4,-0.1 0.740 105.7 38.5 -59.7 -24.1 14.5 -6.4 -7.4 126 205 A N G X> S+ 0 0 55 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3 S+ 0 0 72 21,-0.9 22,-0.1 -2,-0.4 -1,-0.1 0.787 107.1 57.6 -59.8 -31.5 13.3 3.8 32.2 213 292 A Q T 3 S+ 0 0 19 -179,-0.1 2,-0.3 -181,-0.1 -1,-0.3 0.506 107.0 51.4 -80.5 -5.4 12.3 6.9 30.2 214 293 A F S < S- 0 0 30 -3,-1.6 -3,-0.2 -180,-0.1 -51,-0.1 -0.910 98.1 -88.7-129.8 158.6 10.4 8.5 33.0 215 294 A S - 0 0 64 -2,-0.3 -4,-0.2 1,-0.1 3,-0.2 -0.359 27.1-154.9 -61.3 141.8 11.2 9.3 36.6 216 295 A T > + 0 0 32 1,-0.1 4,-2.6 -6,-0.1 5,-0.2 0.284 62.4 113.2-101.0 10.9 10.3 6.4 38.9 217 296 A K H > S+ 0 0 159 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.898 79.5 39.8 -51.1 -50.3 9.8 8.7 41.9 218 297 A S H > S+ 0 0 9 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.858 112.4 55.1 -73.7 -27.8 6.1 8.1 42.3 219 298 A S H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.921 110.5 48.4 -64.9 -40.9 6.2 4.4 41.5 220 299 A E H X S+ 0 0 102 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.892 111.1 49.0 -65.3 -40.1 8.8 4.1 44.4 221 300 A A H X S+ 0 0 44 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.915 113.1 47.6 -68.1 -41.0 6.6 6.2 46.8 222 301 A I H X S+ 0 0 1 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