==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-MAR-09 3GH9 . COMPND 2 MOLECULE: DISULFIDE BOND FORMATION PROTEIN D; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR A.CROW,A.LEWIN,L.HEDERSTEDT,N.E.LE-BRUN . 186 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9318.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 5.9 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 . 1 0.5 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 . 9 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.8 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 1 0 1 1 2 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 37 A N 0 0 154 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -91.0 15.0 13.4 52.6 2 38 A D - 0 0 110 1,-0.1 151,-0.1 151,-0.0 0, 0.0 -0.863 360.0 -78.8-120.1 159.2 13.8 17.0 52.0 3 39 A A - 0 0 21 -2,-0.3 2,-0.2 1,-0.1 149,-0.2 -0.223 57.9-111.5 -49.6 142.1 13.8 19.2 49.0 4 40 A V - 0 0 54 147,-2.9 2,-0.1 1,-0.1 -1,-0.1 -0.576 20.6-120.3 -86.3 142.6 17.2 20.6 48.4 5 41 A S + 0 0 97 -2,-0.2 2,-0.2 160,-0.1 159,-0.2 -0.459 67.0 91.0 -67.0 150.6 18.1 24.3 48.8 6 42 A G S S- 0 0 25 157,-1.8 -2,-0.0 -2,-0.1 145,-0.0 -0.548 81.0 -73.8 138.1 161.3 19.4 25.9 45.7 7 43 A Q - 0 0 90 -2,-0.2 156,-0.2 156,-0.0 2,-0.1 -0.742 44.9-139.8 -88.6 112.7 18.0 27.8 42.6 8 44 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 154,-0.1 -0.449 21.8-113.3 -69.8 144.4 16.2 25.5 40.2 9 45 A S - 0 0 69 1,-0.1 138,-0.0 -2,-0.1 0, 0.0 -0.610 23.7-169.3 -75.4 130.2 16.9 26.2 36.5 10 46 A I > + 0 0 37 -2,-0.4 3,-2.2 3,-0.1 -1,-0.1 0.223 36.2 142.0-101.5 16.1 13.8 27.4 34.8 11 47 A K T 3 S+ 0 0 170 1,-0.3 -2,-0.1 3,-0.0 0, 0.0 -0.346 77.9 4.2 -59.9 127.9 15.3 27.0 31.3 12 48 A G T 3 S+ 0 0 40 1,-0.3 -1,-0.3 -2,-0.1 -2,-0.1 0.522 105.8 122.8 74.8 4.9 12.7 25.8 28.9 13 49 A Q S < S- 0 0 5 -3,-2.2 -1,-0.3 1,-0.1 49,-0.1 -0.672 74.2 -91.2 -95.6 153.4 9.9 26.0 31.5 14 50 A P - 0 0 0 0, 0.0 47,-1.1 0, 0.0 2,-0.3 -0.382 51.1-171.1 -56.3 134.4 6.7 27.9 31.4 15 51 A V E -A 60 0A 51 45,-0.2 2,-0.4 71,-0.1 45,-0.2 -0.962 16.6-164.6-131.6 151.2 7.2 31.4 32.9 16 52 A L E +A 59 0A 50 43,-2.3 43,-3.0 -2,-0.3 2,-0.2 -0.997 53.0 30.8-133.8 130.3 4.9 34.3 33.8 17 53 A G S S- 0 0 29 -2,-0.4 41,-0.2 41,-0.2 2,-0.1 -0.625 94.5 -25.2 119.9-178.9 6.1 37.9 34.5 18 54 A K > - 0 0 93 34,-0.4 3,-1.7 39,-0.4 -2,-0.1 -0.404 48.9-129.4 -73.7 142.4 8.8 40.2 33.4 19 55 A D T 3 S+ 0 0 144 1,-0.3 -1,-0.1 -2,-0.1 39,-0.1 0.861 108.8 46.5 -50.7 -44.4 12.2 39.0 32.1 20 56 A D T 3 S+ 0 0 137 37,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.233 76.6 142.2 -91.2 12.3 14.1 41.2 34.5 21 57 A A < - 0 0 9 -3,-1.7 35,-0.2 1,-0.2 37,-0.1 -0.342 48.7-141.8 -57.6 129.3 12.1 40.3 37.7 22 58 A P S S+ 0 0 49 0, 0.0 2,-0.4 0, 0.0 35,-0.2 0.709 82.1 54.2 -69.9 -21.7 14.5 40.1 40.6 23 59 A V E -b 57 0A 0 33,-1.7 35,-2.5 139,-0.1 2,-0.5 -0.960 67.3-159.0-120.1 131.1 12.8 37.2 42.3 24 60 A T E -b 58 0A 22 -2,-0.4 138,-3.3 33,-0.2 2,-0.5 -0.925 4.9-166.4-107.5 125.8 12.0 33.9 40.6 25 61 A V E -bC 59 161A 0 33,-2.8 35,-2.5 -2,-0.5 2,-0.5 -0.954 7.9-169.4-110.4 125.6 9.2 31.7 42.2 26 62 A V E -bC 60 160A 0 134,-1.9 134,-3.0 -2,-0.5 2,-0.6 -0.960 7.8-159.2-118.4 130.7 9.1 28.1 41.0 27 63 A E E -bC 61 159A 2 33,-2.9 35,-2.7 -2,-0.5 2,-0.8 -0.953 5.0-158.7-105.9 124.7 6.3 25.7 41.7 28 64 A F E +bC 62 158A 0 130,-2.9 130,-2.0 -2,-0.6 2,-0.3 -0.901 40.7 152.6 -92.7 108.9 6.9 22.0 41.4 29 65 A G E -b 63 0A 0 33,-2.0 35,-2.2 -2,-0.8 2,-0.4 -0.845 42.1-138.6-139.2 177.9 3.4 20.7 40.9 30 66 A D > - 0 0 1 -2,-0.3 3,-1.9 33,-0.2 6,-0.2 -0.999 20.0-134.8-144.3 129.8 1.1 18.0 39.5 31 67 A Y T 3 S+ 0 0 1 -2,-0.4 69,-0.1 1,-0.3 34,-0.1 0.651 109.3 49.7 -66.8 -12.7 -2.2 18.6 37.8 32 68 A K T 3 S+ 0 0 34 36,-0.1 -1,-0.3 68,-0.1 39,-0.1 0.379 85.4 107.5-101.0 -0.2 -3.7 15.7 39.8 33 69 A a <> - 0 0 2 -3,-1.9 4,-1.5 1,-0.1 3,-0.5 -0.688 58.2-156.0 -83.4 117.8 -2.4 17.0 43.1 34 70 A P H > S+ 0 0 75 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.834 95.0 55.7 -67.6 -28.1 -5.3 18.5 45.2 35 71 A S H > S+ 0 0 49 121,-0.2 4,-2.6 2,-0.2 5,-0.1 0.825 105.5 54.0 -68.4 -27.3 -2.9 20.7 47.2 36 72 A a H > S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.852 104.4 53.9 -73.7 -36.0 -1.8 22.1 43.8 37 73 A K H X S+ 0 0 44 -4,-1.5 4,-1.9 2,-0.2 5,-0.2 0.932 111.0 47.1 -60.4 -46.2 -5.5 22.9 43.0 38 74 A V H X>S+ 0 0 58 -4,-2.0 4,-3.1 1,-0.2 5,-0.6 0.926 111.1 49.7 -60.7 -47.2 -5.6 24.8 46.3 39 75 A F H X>S+ 0 0 0 -4,-2.6 5,-3.2 1,-0.2 4,-1.7 0.930 109.8 53.4 -55.7 -44.8 -2.4 26.6 45.6 40 76 A N H <5S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.861 120.1 30.2 -59.0 -42.0 -3.7 27.6 42.1 41 77 A S H <5S+ 0 0 63 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.840 130.7 29.8 -88.9 -36.0 -6.9 29.1 43.4 42 78 A D H <5S+ 0 0 89 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.766 130.3 19.6-100.7 -32.1 -6.0 30.4 46.8 43 79 A I T >X S+ 0 0 47 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.802 106.1 52.4 -62.7 -26.5 -3.5 34.8 42.6 46 82 A K H <> S+ 0 0 102 -3,-1.1 4,-2.9 2,-0.2 5,-0.3 0.897 107.8 50.2 -73.8 -40.8 -2.0 36.7 45.6 47 83 A I H X>S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 5,-1.9 0.922 111.1 51.0 -60.6 -42.5 1.5 36.2 44.3 48 84 A Q H <>S+ 0 0 32 -4,-2.4 5,-2.9 3,-0.2 4,-0.4 0.983 116.6 37.9 -56.3 -56.7 0.3 37.6 40.9 49 85 A K H <5S+ 0 0 128 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.821 122.0 42.3 -68.9 -36.6 -1.4 40.7 42.3 50 86 A D H <5S- 0 0 61 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.801 138.1 -2.7 -78.9 -31.0 1.2 41.5 45.0 51 87 A F T <>S+ 0 0 7 -4,-2.1 5,-2.2 -5,-0.3 6,-1.2 0.705 121.1 55.7-132.8 -42.0 4.3 40.8 42.9 52 88 A I T > > S- 0 0 46 -3,-0.3 4,-1.4 1,-0.2 3,-0.6 -0.212 71.2 -14.6 76.6-152.2 0.2 7.9 37.9 69 105 A K H 3> S+ 0 0 153 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.860 130.2 57.3 -65.4 -35.2 -0.8 7.8 34.2 70 106 A G H 3> S+ 0 0 1 -3,-0.5 4,-2.2 1,-0.2 -1,-0.3 0.832 103.6 54.1 -64.5 -33.1 -3.1 10.8 34.4 71 107 A S H <> S+ 0 0 2 -3,-0.6 4,-2.2 -4,-0.5 -1,-0.2 0.893 110.0 47.8 -64.5 -39.2 -0.3 13.0 35.7 72 108 A R H X S+ 0 0 49 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.933 111.5 48.4 -71.6 -45.3 1.8 12.0 32.7 73 109 A L H X S+ 0 0 39 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.942 113.2 48.9 -53.9 -49.9 -0.9 12.7 30.2 74 110 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.915 111.3 49.5 -60.1 -41.8 -1.6 16.0 31.8 75 111 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.927 108.1 52.8 -65.6 -44.7 2.1 16.9 31.8 76 112 A L H X S+ 0 0 3 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.901 112.2 46.5 -56.4 -42.3 2.5 15.9 28.1 77 113 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.932 110.3 52.4 -65.1 -45.0 -0.4 18.2 27.2 78 114 A S H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.902 109.2 50.2 -58.6 -42.7 1.0 21.0 29.4 79 115 A E H X S+ 0 0 3 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.912 108.6 51.6 -63.7 -42.9 4.4 20.8 27.6 80 116 A E H X S+ 0 0 1 -4,-1.9 4,-2.8 1,-0.2 5,-0.4 0.916 108.7 50.8 -62.1 -43.3 2.8 21.0 24.2 81 117 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 7,-0.2 0.914 108.2 52.3 -61.1 -44.5 0.8 24.1 25.0 82 118 A W H < S+ 0 0 54 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.922 115.6 41.2 -57.0 -42.8 3.9 25.9 26.3 83 119 A K H < S+ 0 0 156 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.933 125.2 32.2 -72.1 -46.3 5.8 25.1 23.1 84 120 A E H < S+ 0 0 84 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.784 137.3 12.6 -88.5 -31.7 3.1 25.8 20.6 85 121 A D >< + 0 0 8 -4,-2.5 3,-1.7 -5,-0.4 4,-0.3 -0.388 65.2 160.5-144.6 66.9 1.0 28.5 22.2 86 122 A P G > S+ 0 0 49 0, 0.0 3,-1.9 0, 0.0 4,-0.5 0.838 73.6 65.1 -57.2 -37.7 2.9 30.0 25.2 87 123 A D G 3 S+ 0 0 150 1,-0.3 3,-0.1 2,-0.1 4,-0.1 0.767 110.0 39.9 -57.0 -24.1 0.8 33.2 25.2 88 124 A S G X> S+ 0 0 21 -3,-1.7 4,-2.0 -7,-0.2 3,-0.6 0.392 88.6 100.8-102.0 -1.1 -2.2 31.0 26.1 89 125 A F H <> S+ 0 0 0 -3,-1.9 4,-3.0 -4,-0.3 5,-0.2 0.880 78.6 48.4 -59.4 -46.4 -0.3 28.7 28.5 90 126 A W H 3> S+ 0 0 23 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.759 110.1 53.8 -71.8 -21.4 -1.4 30.1 31.8 91 127 A D H <> S+ 0 0 95 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.924 113.0 42.5 -73.6 -44.6 -5.0 30.2 30.8 92 128 A F H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.919 114.2 53.3 -62.3 -46.6 -4.9 26.4 29.8 93 129 A H H X S+ 0 0 0 -4,-3.0 4,-1.9 -5,-0.2 -2,-0.2 0.936 109.7 46.6 -56.6 -51.2 -2.9 25.8 33.0 94 130 A E H X S+ 0 0 40 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.890 112.4 50.2 -62.0 -38.4 -5.5 27.4 35.2 95 131 A K H X S+ 0 0 94 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.794 106.1 55.4 -72.1 -29.4 -8.4 25.7 33.6 96 132 A L H X S+ 0 0 0 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.930 111.3 44.5 -69.1 -43.0 -6.8 22.3 33.9 97 133 A F H >< S+ 0 0 0 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.900 111.0 53.8 -63.9 -41.0 -6.5 22.8 37.7 98 134 A E H 3< S+ 0 0 100 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.823 106.5 54.6 -62.5 -27.8 -10.1 24.2 37.8 99 135 A K H 3< S+ 0 0 124 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.726 78.3 113.2 -77.3 -23.6 -11.2 20.9 36.1 100 136 A Q << - 0 0 7 -4,-0.9 2,-0.1 -3,-0.7 -68,-0.1 -0.300 64.6-137.7 -55.4 124.1 -9.5 18.7 38.7 101 137 A P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.423 14.0-121.7 -83.3 163.0 -12.4 16.9 40.5 102 138 A D S S+ 0 0 152 -2,-0.1 2,-0.2 2,-0.0 -2,-0.1 0.260 87.8 93.6 -90.1 14.9 -12.6 16.4 44.3 103 139 A T S S- 0 0 97 2,-0.1 4,-0.1 1,-0.0 0, 0.0 -0.581 72.9-136.3 -99.7 166.8 -12.8 12.7 43.7 104 140 A E + 0 0 175 -2,-0.2 2,-0.2 2,-0.1 3,-0.1 0.446 66.2 99.2-111.6 -1.9 -9.8 10.3 43.6 105 141 A Q S S- 0 0 148 1,-0.2 -2,-0.1 2,-0.0 0, 0.0 -0.532 91.7 -73.2 -86.0 157.0 -10.4 8.0 40.6 106 142 A E + 0 0 71 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 -0.161 57.4 161.6 -48.3 138.5 -8.6 8.6 37.3 107 143 A W + 0 0 36 -3,-0.1 2,-0.6 -4,-0.1 -1,-0.1 0.410 38.8 100.8-135.3 -13.7 -10.1 11.7 35.6 108 144 A V + 0 0 4 4,-0.1 -35,-0.1 3,-0.0 -34,-0.1 -0.726 43.9 158.3 -87.3 119.1 -7.5 12.8 33.0 109 145 A T > - 0 0 69 -2,-0.6 4,-2.0 1,-0.1 5,-0.2 -0.920 54.2-109.0-131.4 162.6 -8.2 11.6 29.5 110 146 A P H > S+ 0 0 58 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.893 118.0 56.6 -60.2 -35.3 -7.1 12.8 26.0 111 147 A G H > S+ 0 0 30 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.907 105.4 49.5 -61.9 -42.3 -10.6 14.1 25.4 112 148 A L H > S+ 0 0 40 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.961 111.3 48.7 -61.1 -47.0 -10.6 16.3 28.5 113 149 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.850 108.2 56.7 -65.1 -32.6 -7.2 17.8 27.6 114 150 A G H X S+ 0 0 1 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.889 103.9 50.7 -62.4 -43.7 -8.5 18.4 24.0 115 151 A D H X S+ 0 0 113 -4,-1.8 4,-1.9 -3,-0.3 -1,-0.2 0.823 109.8 51.4 -67.8 -30.9 -11.5 20.5 25.1 116 152 A L H X S+ 0 0 4 -4,-1.6 4,-2.0 2,-0.2 5,-0.4 0.923 107.6 52.3 -67.7 -45.6 -9.2 22.6 27.2 117 153 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 6,-0.4 0.929 111.0 49.5 -51.5 -43.5 -6.9 23.1 24.2 118 154 A K H < S+ 0 0 140 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.872 115.8 38.8 -69.8 -38.6 -10.0 24.3 22.3 119 155 A S H < S+ 0 0 90 -4,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.741 127.1 30.1 -82.7 -23.7 -11.3 26.8 24.8 120 156 A T H < S+ 0 0 23 -4,-2.0 2,-0.2 -5,-0.2 -28,-0.2 0.664 115.4 35.2-116.6 -17.3 -8.1 28.3 26.0 121 157 A T S < S- 0 0 20 -4,-1.8 -36,-0.0 -5,-0.4 -40,-0.0 -0.648 72.5-112.7-130.0-179.7 -5.5 28.2 23.2 122 158 A K S S+ 0 0 173 -2,-0.2 2,-0.3 2,-0.1 -4,-0.1 0.298 81.0 113.3 -92.8 3.0 -5.0 28.4 19.4 123 159 A I S S- 0 0 16 -6,-0.4 -2,-0.2 -38,-0.1 -3,-0.1 -0.591 72.1-116.2 -83.9 141.7 -4.1 24.7 19.3 124 160 A K >> - 0 0 132 -2,-0.3 4,-2.2 1,-0.1 3,-0.6 -0.574 15.0-132.6 -78.1 131.9 -6.4 22.2 17.5 125 161 A P H 3> S+ 0 0 19 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.893 107.1 48.5 -49.4 -47.4 -8.0 19.6 19.7 126 162 A E H 3> S+ 0 0 112 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.832 108.2 54.7 -68.3 -31.3 -7.1 16.7 17.3 127 163 A T H <> S+ 0 0 48 -3,-0.6 4,-2.9 2,-0.2 -1,-0.2 0.965 110.0 46.5 -61.2 -53.3 -3.4 17.9 17.1 128 164 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.933 114.0 47.7 -52.8 -51.5 -3.0 17.8 20.9 129 165 A K H X S+ 0 0 88 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.863 110.5 50.5 -65.1 -40.1 -4.6 14.4 21.1 130 166 A E H X S+ 0 0 110 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.946 112.8 48.5 -57.5 -47.5 -2.5 13.0 18.3 131 167 A N H X>S+ 0 0 15 -4,-2.9 5,-1.8 1,-0.2 4,-1.1 0.872 109.6 51.3 -63.0 -37.2 0.5 14.4 20.2 132 168 A L H <5S+ 0 0 6 -4,-2.7 3,-0.3 2,-0.2 -1,-0.2 0.931 111.5 48.2 -62.5 -45.4 -0.7 12.9 23.5 133 169 A D H <5S+ 0 0 143 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.915 115.9 42.4 -62.2 -43.2 -1.1 9.5 21.8 134 170 A K H <5S- 0 0 124 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.657 102.6-132.2 -75.3 -12.9 2.4 9.7 20.1 135 171 A E T ><5 + 0 0 84 -4,-1.1 3,-2.5 -3,-0.3 4,-0.2 0.845 42.5 169.1 54.2 39.1 3.9 11.1 23.3 136 172 A T T 3 > S+ 0 0 29 -6,-0.3 4,-1.3 1,-0.2 3,-1.1 0.144 73.4 120.0-105.3 21.2 6.6 15.7 24.0 138 174 A A H <> + 0 0 21 -3,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.820 69.9 62.8 -53.7 -33.0 7.9 12.9 26.3 139 175 A S H 3> S+ 0 0 81 -3,-0.4 4,-1.9 -4,-0.2 -1,-0.2 0.852 101.6 50.2 -64.9 -33.2 11.4 14.4 26.3 140 176 A Q H <> S+ 0 0 65 -3,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.832 110.1 50.1 -72.1 -36.3 10.2 17.6 28.0 141 177 A V H X S+ 0 0 1 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.887 110.7 50.1 -66.7 -40.1 8.4 15.6 30.7 142 178 A E H X S+ 0 0 85 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.885 108.1 53.1 -65.9 -38.1 11.6 13.6 31.3 143 179 A K H X S+ 0 0 70 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.853 109.3 49.3 -62.0 -39.5 13.6 16.8 31.6 144 180 A D H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.916 110.0 51.1 -65.7 -45.6 11.1 18.0 34.2 145 181 A S H X S+ 0 0 21 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.902 107.6 53.2 -58.5 -42.7 11.5 14.7 36.0 146 182 A D H X S+ 0 0 107 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.902 111.2 46.2 -56.9 -46.0 15.2 15.0 36.0 147 183 A L H X S+ 0 0 19 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.905 110.3 53.2 -63.9 -44.1 14.9 18.5 37.6 148 184 A N H <>S+ 0 0 12 -4,-2.8 5,-2.2 -85,-0.2 4,-0.3 0.889 112.1 45.8 -54.5 -45.5 12.4 17.1 40.2 149 185 A Q H ><5S+ 0 0 145 -4,-2.4 3,-1.2 3,-0.2 -2,-0.2 0.921 108.6 55.5 -68.8 -39.4 14.9 14.5 41.1 150 186 A K H 3<5S+ 0 0 157 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.893 112.6 42.5 -59.7 -39.9 17.8 17.0 41.2 151 187 A M T 3<5S- 0 0 7 -4,-2.4 -147,-2.9 -5,-0.1 -1,-0.3 0.464 109.3-126.0 -86.5 -1.0 15.9 19.1 43.7 152 188 A N T < 5 - 0 0 56 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.869 32.1-164.3 59.8 40.7 14.7 16.0 45.7 153 189 A I < + 0 0 14 -5,-2.2 -1,-0.2 1,-0.2 3,-0.1 -0.364 17.0 174.3 -59.4 130.4 11.0 16.9 45.5 154 190 A Q + 0 0 101 1,-0.4 2,-0.3 -2,-0.1 -1,-0.2 0.684 62.4 11.3-109.9 -32.9 9.1 14.9 48.1 155 191 A A S S- 0 0 58 -127,-0.0 -1,-0.4 -126,-0.0 -127,-0.1 -0.987 85.6 -83.3-147.6 152.8 5.6 16.3 47.9 156 192 A T S S+ 0 0 20 -2,-0.3 -121,-0.2 1,-0.2 -127,-0.2 -0.858 98.7 33.9-107.9 145.8 3.6 18.6 45.6 157 193 A P + 0 0 10 0, 0.0 2,-0.5 0, 0.0 12,-0.3 0.606 68.2 173.1 -83.4 148.3 3.4 21.5 45.5 158 194 A T E -C 28 0A 18 -130,-2.0 -130,-2.9 -2,-0.1 2,-0.5 -0.991 16.8-157.2-112.9 126.0 6.9 22.5 46.5 159 195 A I E -C 27 0A 1 -2,-0.5 7,-2.8 7,-0.4 2,-0.4 -0.887 5.5-163.0-105.5 131.4 7.5 26.2 46.1 160 196 A Y E -CD 26 165A 0 -134,-3.0 -134,-1.9 -2,-0.5 2,-0.5 -0.911 8.4-163.3-107.1 138.5 10.9 27.9 45.6 161 197 A V E > S-CD 25 164A 0 3,-2.7 3,-2.9 -2,-0.4 -136,-0.2 -0.966 74.4 -55.2-116.8 108.0 11.5 31.6 46.2 162 198 A N T 3 S- 0 0 10 -138,-3.3 -136,-0.1 -2,-0.5 -139,-0.1 -0.421 123.4 -21.2 48.1-118.3 14.9 32.0 44.5 163 199 A D T 3 S+ 0 0 62 -156,-0.2 -157,-1.8 -2,-0.2 2,-0.4 0.348 116.9 104.7 -96.0 7.3 16.9 29.4 46.3 164 200 A K E < -D 161 0A 84 -3,-2.9 -3,-2.7 -159,-0.2 2,-0.6 -0.742 64.3-138.9 -95.2 130.4 14.7 29.2 49.4 165 201 A V E -D 160 0A 41 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.793 18.1-132.2 -89.2 120.9 12.4 26.3 49.9 166 202 A I - 0 0 10 -7,-2.8 -7,-0.4 -2,-0.6 3,-0.2 -0.588 9.7-154.2 -68.9 128.9 8.9 27.3 51.2 167 203 A K S S+ 0 0 175 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.865 83.4 24.1 -75.5 -35.9 8.0 25.1 54.1 168 204 A N > - 0 0 73 3,-0.2 3,-2.1 1,-0.1 -1,-0.3 -0.914 61.1-164.0-135.1 107.0 4.2 25.4 53.7 169 205 A F T 3 S+ 0 0 39 -2,-0.4 -1,-0.1 -12,-0.3 -11,-0.1 0.712 94.0 57.1 -60.0 -21.0 2.8 26.3 50.2 170 206 A A T 3 S+ 0 0 48 1,-0.1 2,-1.0 -127,-0.0 -1,-0.3 0.444 84.4 90.8 -89.9 -4.8 -0.5 27.3 52.0 171 207 A D <> - 0 0 62 -3,-2.1 4,-2.0 1,-0.2 -3,-0.2 -0.796 51.4-179.3 -95.8 94.4 1.1 29.8 54.3 172 208 A Y H > S+ 0 0 29 -2,-1.0 4,-3.4 1,-0.2 5,-0.3 0.837 80.6 60.4 -68.1 -29.8 0.9 33.1 52.4 173 209 A D H > S+ 0 0 90 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.936 106.9 46.3 -57.6 -46.5 2.7 34.9 55.2 174 210 A E H > S+ 0 0 19 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.930 116.6 44.4 -61.0 -43.1 5.7 32.7 54.7 175 211 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 -7,-0.2 5,-0.2 0.959 116.3 45.4 -69.5 -47.8 5.6 33.1 50.9 176 212 A K H X S+ 0 0 67 -4,-3.4 4,-2.7 1,-0.2 -2,-0.2 0.920 114.7 46.3 -61.3 -49.5 5.1 36.9 51.0 177 213 A E H X S+ 0 0 110 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.850 113.0 51.2 -65.7 -32.4 7.7 37.6 53.7 178 214 A T H X S+ 0 0 32 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.928 110.6 47.1 -69.9 -44.3 10.2 35.3 51.9 179 215 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.929 113.4 50.6 -57.3 -45.6 9.6 37.1 48.5 180 216 A E H X S+ 0 0 73 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.892 109.0 49.9 -64.3 -36.5 10.0 40.4 50.4 181 217 A K H X S+ 0 0 163 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.919 111.7 48.9 -67.3 -38.6 13.2 39.3 52.0 182 218 A E H X S+ 0 0 26 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.861 108.1 54.1 -68.1 -34.6 14.6 38.3 48.6 183 219 A L H < S+ 0 0 34 -4,-2.2 3,-0.2 2,-0.2 -1,-0.2 0.910 108.6 50.1 -66.1 -42.4 13.6 41.5 47.1 184 220 A K H < S+ 0 0 173 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.959 105.8 53.6 -57.2 -57.6 15.5 43.4 49.8 185 221 A G H < 0 0 72 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.771 360.0 360.0 -49.0 -27.2 18.6 41.3 49.2 186 222 A K < 0 0 143 -4,-1.1 -1,-0.1 -3,-0.2 -163,-0.0 -0.693 360.0 360.0 -80.2 360.0 18.3 42.4 45.6