==== 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 11-JUN-07 2Q8Q . COMPND 2 MOLECULE: IRON-REGULATED SURFACE DETERMINANT E; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR J.C.GRIGG,M.E.MURPHY . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13642.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.5 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 0.4 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 . 13 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 1 1 0 0 1 0 2 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 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 . 0 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 32 A G 0 0 113 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -25.7 85.7 42.5 66.0 2 33 A E - 0 0 167 1,-0.0 2,-0.4 2,-0.0 0, 0.0 -0.531 360.0-151.5 -74.8 127.0 84.2 45.7 64.6 3 34 A F - 0 0 80 -2,-0.3 2,-0.4 102,-0.1 -1,-0.0 -0.807 16.1-173.4-103.2 137.9 80.9 45.4 62.6 4 35 A R - 0 0 101 -2,-0.4 56,-2.7 2,-0.0 57,-1.6 -0.905 22.6-170.9-127.6 99.5 79.8 47.6 59.8 5 36 A I E -a 61 0A 3 -2,-0.4 19,-2.4 17,-0.3 20,-0.9 -0.778 17.6-171.0-105.6 129.0 76.2 46.5 59.0 6 37 A V E -a 62 0A 0 55,-2.5 57,-2.8 -2,-0.4 2,-0.4 -0.930 8.4-160.7-116.5 107.1 74.0 47.5 56.1 7 38 A P E -a 63 0A 0 0, 0.0 57,-0.2 0, 0.0 55,-0.0 -0.701 0.9-164.1 -73.2 132.5 70.4 46.3 56.3 8 39 A T + 0 0 1 55,-2.4 2,-0.3 -2,-0.4 20,-0.1 0.513 66.9 58.5-101.5 -7.1 68.9 46.5 52.8 9 40 A T S > S- 0 0 13 54,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.845 79.3-125.7-117.7 162.3 65.3 46.2 53.9 10 41 A V H > S+ 0 0 13 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.897 112.4 52.6 -66.8 -44.3 63.0 48.2 56.1 11 42 A A H > S+ 0 0 8 2,-0.2 4,-1.5 1,-0.2 232,-0.3 0.883 110.6 48.1 -57.2 -42.6 62.1 45.1 58.2 12 43 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.908 110.8 51.3 -64.0 -44.3 65.8 44.3 58.7 13 44 A T H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.903 110.8 47.8 -56.7 -44.0 66.5 48.0 59.7 14 45 A M H X S+ 0 0 44 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.825 110.9 52.2 -69.8 -29.5 63.7 47.9 62.3 15 46 A T H X S+ 0 0 0 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.882 106.8 51.8 -71.2 -42.8 65.0 44.6 63.7 16 47 A L H <>S+ 0 0 0 -4,-2.4 5,-2.1 2,-0.2 -2,-0.2 0.868 107.5 54.0 -63.2 -35.1 68.5 45.9 64.1 17 48 A D H ><5S+ 0 0 52 -4,-1.6 3,-1.6 1,-0.2 -2,-0.2 0.923 106.1 50.9 -64.0 -46.4 67.0 48.9 66.0 18 49 A K H 3<5S+ 0 0 113 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.812 109.4 52.7 -56.6 -31.1 65.2 46.5 68.4 19 50 A L T 3<5S- 0 0 0 -4,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.422 114.6-119.3 -88.8 1.0 68.6 44.7 68.9 20 51 A D T < 5 + 0 0 80 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.899 61.1 152.2 67.5 41.3 70.3 48.1 69.8 21 52 A L < - 0 0 5 -5,-2.1 -1,-0.2 -6,-0.1 2,-0.1 -0.900 42.3-134.0-111.8 130.7 72.7 47.8 66.9 22 53 A P - 0 0 78 0, 0.0 -17,-0.3 0, 0.0 2,-0.3 -0.463 22.9-159.0 -71.8 153.5 74.3 50.7 65.0 23 54 A I - 0 0 14 -2,-0.1 -17,-0.2 -19,-0.1 3,-0.1 -0.912 20.5-150.7-130.5 158.4 74.3 50.5 61.1 24 55 A V S S+ 0 0 28 -19,-2.4 2,-0.3 -2,-0.3 -18,-0.2 0.604 83.1 18.3-105.5 -15.3 76.5 52.2 58.4 25 56 A G - 0 0 0 -20,-0.9 -1,-0.3 15,-0.1 17,-0.2 -0.984 64.0-161.6-149.7 157.3 73.8 52.3 55.6 26 57 A K B -c 42 0B 23 15,-2.2 17,-2.6 -2,-0.3 18,-0.4 -0.950 30.1 -92.2-136.9 156.9 70.0 52.1 55.3 27 58 A P - 0 0 0 0, 0.0 2,-0.5 0, 0.0 18,-0.2 -0.278 37.3-113.8 -64.9 152.2 67.4 51.4 52.6 28 59 A T + 0 0 45 16,-2.7 2,-0.3 -20,-0.1 -18,-0.1 -0.812 57.9 149.6 -82.6 125.3 65.8 54.2 50.6 29 60 A S - 0 0 36 -2,-0.5 4,-0.1 2,-0.1 15,-0.0 -0.993 58.9-136.2-159.5 149.9 62.2 54.2 51.5 30 61 A Y S S+ 0 0 126 -2,-0.3 2,-0.1 2,-0.1 -1,-0.0 0.418 81.0 100.5 -86.2 -3.3 59.0 56.3 52.0 31 62 A K S S- 0 0 58 1,-0.1 2,-0.2 -3,-0.0 -2,-0.1 -0.481 87.0 -94.2 -82.4 154.0 58.4 54.4 55.3 32 63 A T - 0 0 131 -2,-0.1 -1,-0.1 1,-0.0 -2,-0.1 -0.516 43.9-164.2 -61.3 126.9 59.2 55.6 58.8 33 64 A L - 0 0 36 -2,-0.2 5,-0.1 1,-0.1 -23,-0.0 -0.782 34.3 -77.4-110.5 158.3 62.6 54.4 60.0 34 65 A P > - 0 0 20 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.276 38.8-125.2 -56.3 142.2 64.0 54.4 63.6 35 66 A N G > S+ 0 0 131 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.793 105.1 67.3 -62.6 -31.9 65.1 57.8 64.8 36 67 A R G 3 S+ 0 0 112 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.690 100.1 51.1 -66.0 -16.0 68.6 56.5 65.7 37 68 A Y G X S+ 0 0 2 -3,-1.6 3,-1.1 1,-0.2 -1,-0.3 0.197 74.4 111.9-101.8 14.1 69.3 56.0 62.0 38 69 A K T < S+ 0 0 136 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.855 82.1 41.5 -59.1 -36.3 68.3 59.5 60.9 39 70 A D T 3 S+ 0 0 146 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.454 89.1 105.5 -92.8 -2.7 71.8 60.5 60.0 40 71 A V S < S- 0 0 26 -3,-1.1 -15,-0.1 1,-0.1 -16,-0.1 -0.587 77.1-106.9 -80.7 142.5 73.0 57.3 58.3 41 72 A P - 0 0 65 0, 0.0 -15,-2.2 0, 0.0 2,-0.3 -0.288 26.5-118.4 -69.5 151.0 73.2 57.4 54.5 42 73 A E B -c 26 0B 106 -17,-0.2 3,-0.1 1,-0.1 -14,-0.1 -0.661 19.0-167.6 -85.4 142.8 70.6 55.7 52.2 43 74 A I - 0 0 4 -17,-2.6 7,-3.4 1,-0.4 11,-0.2 0.256 52.2 -79.8-118.0 13.7 72.0 53.0 49.8 44 75 A G - 0 0 16 -18,-0.4 -16,-2.7 5,-0.3 -1,-0.4 -0.390 66.6 -37.3 113.9 169.7 69.0 52.6 47.5 45 76 A Q > - 0 0 121 3,-0.5 3,-1.9 -18,-0.2 -16,-0.1 -0.362 59.4-112.7 -68.8 144.7 65.6 50.9 47.4 46 77 A P T 3 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 -17,-0.1 0.756 114.5 50.0 -51.6 -35.4 65.4 47.4 49.0 47 78 A M T 3 S+ 0 0 112 1,-0.3 -38,-0.1 25,-0.0 -2,-0.1 0.621 127.5 22.1 -82.1 -16.1 64.8 45.5 45.8 48 79 A E S < S- 0 0 147 -3,-1.9 -3,-0.5 -40,-0.1 -1,-0.3 -0.450 77.3-173.3-149.8 74.5 67.7 47.2 44.0 49 80 A P - 0 0 10 0, 0.0 2,-0.8 0, 0.0 -5,-0.3 -0.309 38.9 -99.5 -67.2 153.4 70.4 48.6 46.4 50 81 A N > - 0 0 89 -7,-3.4 4,-2.4 1,-0.2 5,-0.2 -0.678 28.5-156.3 -82.1 111.3 73.1 50.6 44.8 51 82 A V H > S+ 0 0 21 -2,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.889 92.5 43.7 -52.0 -48.1 76.2 48.4 44.5 52 83 A E H > S+ 0 0 111 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.820 111.5 52.8 -74.1 -32.5 78.7 51.2 44.5 53 84 A A H > S+ 0 0 28 2,-0.2 4,-0.5 -10,-0.2 -2,-0.2 0.920 112.0 46.6 -65.0 -45.2 77.0 53.2 47.3 54 85 A V H >< S+ 0 0 0 -4,-2.4 3,-1.4 -11,-0.2 4,-0.3 0.918 110.9 51.2 -61.8 -47.3 77.2 50.1 49.5 55 86 A K H >< S+ 0 0 87 -4,-2.2 3,-1.1 1,-0.3 -1,-0.2 0.791 101.2 64.3 -60.3 -29.8 80.8 49.4 48.6 56 87 A K H 3< S+ 0 0 160 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.712 97.7 55.3 -65.4 -24.0 81.7 53.0 49.5 57 88 A L T << S- 0 0 30 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.498 101.5-135.4 -91.0 -5.1 80.7 52.3 53.2 58 89 A K < - 0 0 166 -3,-1.1 -3,-0.1 -4,-0.3 -2,-0.1 0.923 33.8-168.1 49.7 58.2 83.1 49.3 53.4 59 90 A P - 0 0 19 0, 0.0 -54,-0.2 0, 0.0 3,-0.1 -0.204 30.1-157.0 -72.7 161.0 80.6 47.0 55.2 60 91 A T S S+ 0 0 61 -56,-2.7 2,-0.4 1,-0.3 -55,-0.2 0.683 86.9 26.4-100.5 -32.5 81.4 43.7 56.9 61 92 A H E -a 5 0A 32 -57,-1.6 -55,-2.5 20,-0.1 2,-0.5 -0.996 60.5-171.8-136.7 125.9 77.8 42.4 56.5 62 93 A V E -a 6 0A 0 20,-0.4 22,-0.5 -2,-0.4 2,-0.4 -0.987 23.3-154.1-119.6 122.6 75.2 43.3 53.9 63 94 A L E +ab 7 84A 0 -57,-2.8 -55,-2.4 -2,-0.5 -54,-0.3 -0.834 22.4 158.9-117.0 133.3 71.8 41.9 54.8 64 95 A S E - b 0 85A 0 20,-2.3 22,-1.5 -2,-0.4 2,-0.3 -0.641 32.5-103.4-131.9-172.5 68.7 40.9 52.8 65 96 A V E > - b 0 86A 3 20,-0.3 3,-0.9 -2,-0.2 22,-0.2 -0.819 20.5-118.9-122.4 161.3 65.7 38.6 53.2 66 97 A S G > S+ 0 0 32 20,-2.4 3,-1.3 -2,-0.3 4,-0.3 0.704 101.8 74.8 -68.4 -24.4 64.6 35.1 51.8 67 98 A T G 3 S+ 0 0 21 19,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.796 112.3 24.3 -63.2 -31.5 61.5 36.5 50.0 68 99 A I G <> S+ 0 0 27 -3,-0.9 4,-1.3 1,-0.1 -1,-0.3 -0.061 84.5 126.9-124.1 32.9 63.6 38.0 47.3 69 100 A K T X4 S+ 0 0 96 -3,-1.3 3,-0.7 1,-0.2 4,-0.5 0.934 74.2 46.4 -56.8 -54.3 66.7 35.7 47.5 70 101 A D G >4 S+ 0 0 123 -4,-0.3 3,-1.0 1,-0.2 -1,-0.2 0.893 114.3 47.5 -57.3 -43.8 66.8 34.7 43.9 71 102 A E G 34 S+ 0 0 117 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.651 108.2 55.8 -78.0 -14.2 66.3 38.2 42.5 72 103 A M G S+ 0 0 83 -3,-1.0 4,-1.8 -4,-0.5 -1,-0.1 0.888 82.4 51.4 -61.4 -45.5 71.7 37.2 43.6 74 105 A P H > S+ 0 0 71 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.899 107.6 55.8 -54.8 -42.4 73.0 39.5 40.9 75 106 A F H > S+ 0 0 15 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.947 108.7 45.3 -53.1 -56.0 73.4 42.3 43.5 76 107 A Y H X>S+ 0 0 8 -4,-1.8 4,-1.9 1,-0.2 5,-1.3 0.787 109.4 57.0 -61.3 -33.1 75.6 40.1 45.7 77 108 A K H <5S+ 0 0 170 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.928 111.7 40.9 -59.7 -49.3 77.7 39.0 42.7 78 109 A Q H <5S+ 0 0 118 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.821 116.2 50.6 -70.4 -34.8 78.5 42.6 41.8 79 110 A L H <5S- 0 0 7 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.863 98.7-144.0 -64.8 -37.5 79.0 43.4 45.5 80 111 A N T <5 + 0 0 143 -4,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.835 56.8 118.8 66.4 41.0 81.3 40.4 45.8 81 112 A M S S- 0 0 28 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.969 79.2-102.3-159.7 168.3 56.5 33.8 58.9 91 122 A L H > S+ 0 0 8 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.925 123.4 46.7 -59.5 -48.5 56.5 34.4 62.7 92 123 A K H > S+ 0 0 149 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.902 113.2 49.9 -63.4 -41.9 58.6 31.3 63.3 93 124 A G H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -6,-0.3 0.937 112.1 45.9 -60.2 -50.6 61.0 32.2 60.5 94 125 A M H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.847 109.6 55.6 -62.1 -37.7 61.5 35.8 61.8 95 126 A Q H X S+ 0 0 65 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.928 109.3 47.1 -60.1 -46.3 62.0 34.5 65.4 96 127 A K H X S+ 0 0 153 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.911 111.8 51.0 -59.6 -43.6 64.8 32.2 64.2 97 128 A S H X S+ 0 0 3 -4,-2.2 4,-2.7 -10,-0.4 -2,-0.2 0.885 107.5 53.0 -63.2 -39.8 66.4 35.2 62.2 98 129 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.915 109.7 48.4 -61.4 -45.8 66.2 37.4 65.3 99 130 A T H X S+ 0 0 61 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.935 111.0 51.2 -57.3 -47.0 68.1 34.7 67.3 100 131 A Q H X S+ 0 0 86 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.941 110.6 47.2 -59.3 -49.2 70.7 34.5 64.5 101 132 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.852 110.4 53.7 -59.4 -37.9 71.3 38.2 64.4 102 133 A G H <>S+ 0 0 1 -4,-2.2 5,-2.6 -5,-0.2 6,-0.5 0.917 112.4 44.8 -60.3 -43.7 71.6 38.2 68.3 103 134 A D H ><5S+ 0 0 106 -4,-2.3 3,-0.5 4,-0.2 -2,-0.2 0.882 115.1 46.6 -67.0 -43.0 74.3 35.6 68.0 104 135 A Q H 3<5S+ 0 0 46 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.864 122.7 32.6 -67.3 -38.9 76.2 37.2 65.1 105 136 A F T 3<5S- 0 0 2 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 -0.036 111.0-102.9-120.8 26.6 76.2 40.7 66.6 106 137 A N T < 5S+ 0 0 133 -3,-0.5 -3,-0.2 -4,-0.3 -4,-0.1 0.878 86.2 115.1 56.3 51.6 76.4 40.2 70.4 107 138 A R >< + 0 0 56 -5,-2.6 4,-2.5 -6,-0.2 -4,-0.2 -0.188 22.4 136.8-141.1 36.9 72.8 41.0 71.2 108 139 A K H > S+ 0 0 153 -6,-0.5 4,-2.5 1,-0.2 5,-0.2 0.903 75.9 47.0 -54.8 -50.0 71.6 37.6 72.6 109 140 A A H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.903 112.9 48.5 -60.9 -45.0 69.7 39.2 75.5 110 141 A Q H > S+ 0 0 60 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.873 112.4 50.2 -61.8 -39.0 68.0 41.8 73.2 111 142 A A H X S+ 0 0 3 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.917 109.1 50.2 -66.1 -46.3 67.0 39.1 70.8 112 143 A K H X S+ 0 0 128 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.896 110.5 50.9 -57.8 -44.3 65.6 36.9 73.5 113 144 A E H X S+ 0 0 141 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.947 112.1 45.0 -59.8 -52.5 63.5 39.8 74.8 114 145 A L H X S+ 0 0 16 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.932 115.8 48.3 -55.6 -47.6 62.1 40.6 71.4 115 146 A N H X S+ 0 0 8 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.885 109.4 51.8 -62.6 -43.1 61.4 36.9 70.7 116 147 A D H X S+ 0 0 81 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.892 112.2 47.2 -60.8 -40.2 59.7 36.4 74.1 117 148 A H H X S+ 0 0 88 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.938 114.0 44.8 -69.1 -48.1 57.4 39.3 73.5 118 149 A L H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.910 115.0 50.3 -59.7 -45.3 56.4 38.3 69.9 119 150 A N H X S+ 0 0 55 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.864 109.6 51.1 -57.8 -43.7 55.9 34.7 71.1 120 151 A S H X S+ 0 0 77 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.896 112.1 44.7 -65.2 -44.7 53.7 35.8 74.0 121 152 A V H X S+ 0 0 12 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.910 114.1 51.9 -62.1 -43.3 51.4 38.0 71.7 122 153 A K H X S+ 0 0 45 -4,-2.4 4,-2.7 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49.2 35.1 49.1 152 183 A T > - 0 0 0 24,-2.8 3,-1.6 -2,-0.4 6,-0.5 -0.425 40.0 -92.2 -98.9 176.2 49.7 31.6 50.3 153 184 A D T 3 S+ 0 0 29 19,-0.5 20,-0.1 1,-0.2 23,-0.1 0.673 121.6 68.6 -58.6 -19.6 50.4 30.2 53.8 154 185 A K T 3 S+ 0 0 93 21,-0.4 -1,-0.2 18,-0.2 22,-0.2 0.596 89.0 81.5 -77.0 -14.5 54.1 30.5 53.0 155 186 A S S <> S- 0 0 0 -3,-1.6 4,-2.0 21,-0.4 5,-0.1 -0.542 91.8-114.2 -89.9 159.7 53.8 34.2 53.1 156 187 A Y H > S+ 0 0 0 83,-0.4 4,-2.4 2,-0.2 5,-0.2 0.933 117.8 49.7 -57.8 -49.2 53.9 36.4 56.2 157 188 A I H > S+ 0 0 0 81,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.888 108.1 55.4 -59.9 -37.2 50.2 37.6 55.7 158 189 A G H > S+ 0 0 1 -6,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.901 108.4 48.1 -58.4 -43.1 49.3 33.9 55.3 159 190 A D H X S+ 0 0 21 -4,-2.0 4,-2.7 -70,-0.3 -2,-0.2 0.916 111.1 50.2 -63.4 -43.2 50.9 33.2 58.6 160 191 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.908 109.1 51.3 -60.3 -45.6 49.1 36.1 60.3 161 192 A V H <>S+ 0 0 1 -4,-2.7 5,-3.0 1,-0.2 4,-0.3 0.917 112.1 47.4 -59.1 -43.6 45.7 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0.480 91.2 83.4-101.6 -6.6 45.3 33.1 37.5 182 213 A T T <4 S+ 0 0 80 -3,-1.3 2,-0.4 2,-0.1 -2,-0.1 0.983 100.2 29.7 -66.4 -65.8 47.4 30.1 39.1 183 214 A E S < S- 0 0 49 -4,-0.6 2,-0.7 -11,-0.0 -1,-0.0 -0.790 104.1-116.4 -81.4 139.4 44.8 28.9 41.6 184 215 A N > - 0 0 92 -2,-0.4 3,-2.0 1,-0.1 4,-0.2 -0.759 13.6-147.9 -93.7 116.7 41.5 29.7 40.0 185 216 A L T 3 S+ 0 0 9 -2,-0.7 -1,-0.1 -5,-0.5 3,-0.1 0.280 90.3 71.0 -60.8 6.9 39.4 32.2 42.0 186 217 A L T 3 S+ 0 0 130 1,-0.1 -1,-0.3 3,-0.0 -2,-0.0 0.347 90.3 59.4-106.7 4.7 36.1 30.6 40.9 187 218 A N S < S+ 0 0 151 -3,-2.0 2,-0.2 0, 0.0 -2,-0.2 0.398 94.6 79.5-106.5 -0.6 36.6 27.5 43.0 188 219 A I - 0 0 29 -4,-0.2 -49,-0.0 -3,-0.1 -18,-0.0 -0.680 55.7-161.2-112.1 158.7 36.8 29.3 46.4 189 220 A N - 0 0 97 -2,-0.2 -52,-0.2 32,-0.1 2,-0.1 -0.496 19.7-176.2-139.1 67.0 34.2 30.8 48.8 190 221 A P - 0 0 2 0, 0.0 33,-0.6 0, 0.0 -52,-0.2 -0.372 25.5-158.9 -73.6 143.1 35.8 33.3 51.2 191 222 A D S S+ 0 0 55 -54,-1.8 2,-0.4 1,-0.2 -53,-0.2 0.776 87.3 31.3 -74.8 -32.8 33.9 35.1 54.0 192 223 A I E -e 138 0C 11 -55,-2.4 -53,-2.2 35,-0.0 2,-0.5 -0.975 64.9-159.7-133.0 136.1 36.6 37.8 53.9 193 224 A I E -eh 139 229C 0 35,-2.5 37,-3.0 -2,-0.4 2,-0.4 -0.985 12.3-161.7-113.8 128.1 38.8 39.3 51.2 194 225 A L E -eh 140 230C 0 -55,-2.9 -53,-3.2 -2,-0.5 2,-0.5 -0.924 0.7-162.8-107.7 135.2 42.0 41.1 52.4 195 226 A R E -eh 141 231C 15 35,-3.1 37,-2.3 -2,-0.4 -53,-0.2 -0.967 7.4-174.6-121.7 112.7 43.8 43.5 50.0 196 227 A L E -e 142 0C 0 -55,-3.0 -53,-3.4 -2,-0.5 2,-0.3 -0.898 14.5-141.0-107.4 137.8 47.4 44.4 50.8 197 228 A P E -e 143 0C 13 0, 0.0 2,-0.3 0, 0.0 -53,-0.2 -0.688 17.6-172.7 -97.3 150.1 49.4 47.1 48.8 198 229 A H - 0 0 35 -55,-1.2 2,-1.9 -2,-0.3 6,-0.1 -0.997 54.7 -9.0-145.0 138.5 53.0 47.0 47.8 199 230 A G S S+ 0 0 30 -2,-0.3 -55,-0.1 -55,-0.1 0, 0.0 -0.368 135.1 26.1 87.4 -60.6 55.6 49.2 46.2 200 231 A M S > S- 0 0 92 -2,-1.9 4,-2.5 1,-0.1 -2,-0.2 -0.764 71.9-177.3-134.4 82.9 53.4 52.1 45.1 201 232 A P H > S+ 0 0 29 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.804 80.9 52.8 -59.7 -32.7 50.4 51.9 47.6 202 233 A E H > S+ 0 0 115 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.938 112.4 43.2 -66.6 -52.4 48.6 54.8 45.8 203 234 A E H > S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.900 114.6 54.0 -56.9 -41.0 48.8 53.2 42.4 204 235 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.910 105.5 49.1 -65.6 -46.8 47.9 49.8 44.0 205 236 A K H X S+ 0 0 98 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.904 113.2 46.8 -62.8 -43.0 44.6 50.8 45.8 206 237 A K H X S+ 0 0 144 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.864 110.7 54.3 -66.5 -33.6 43.2 52.5 42.7 207 238 A M H X S+ 0 0 38 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.936 109.2 47.3 -61.0 -47.3 44.2 49.4 40.7 208 239 A F H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.856 110.5 53.6 -60.7 -37.3 42.2 47.3 43.2 209 240 A Q H X S+ 0 0 98 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.889 112.0 43.3 -64.8 -42.8 39.3 49.7 42.9 210 241 A K H X S+ 0 0 127 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.883 112.5 53.6 -70.8 -42.1 39.2 49.4 39.1 211 242 A E H X S+ 0 0 38 -4,-2.5 4,-2.5 1,-0.2 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