==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 13-JUN-12 4FKM . COMPND 2 MOLECULE: SIMILAR TO FERRIC HYDROXAMATE RECEPTOR 1; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR K.J.PODKOWA,D.E.HEINRICHS,B.H.SHILTON . 513 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25708.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 373 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 4.7 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 . 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 . 33 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 4 4 6 0 2 0 0 0 2 0 0 0 0 0 1 1 0 0 0 0 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 6 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 PARALLEL BRIDGES PER LADDER . 1 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 1 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 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 P 0 0 150 0, 0.0 3,-0.1 0, 0.0 358,-0.0 0.000 360.0 360.0 360.0 75.8 40.9 48.6 80.4 2 48 A X - 0 0 50 1,-0.1 19,-0.7 355,-0.1 2,-0.7 -0.070 360.0-111.7 -46.8 145.5 40.6 45.1 81.9 3 49 A R E -a 21 0A 87 54,-0.2 56,-4.4 19,-0.1 57,-1.6 -0.747 39.7-166.2 -85.6 116.8 43.5 42.7 81.2 4 50 A I E -ab 22 60A 3 17,-2.6 19,-1.4 -2,-0.7 20,-1.0 -0.928 15.0-158.1-114.5 120.9 42.1 40.1 78.8 5 51 A A E -ab 24 61A 1 55,-2.7 57,-2.9 -2,-0.5 2,-1.0 -0.841 11.4-156.3 -95.2 114.4 43.8 36.7 78.0 6 52 A V E +ab 25 62A 0 18,-3.2 20,-1.5 -2,-0.7 39,-0.2 -0.786 25.0 163.2 -96.5 97.7 42.5 35.4 74.7 7 53 A V + 0 0 1 55,-1.9 56,-0.2 -2,-1.0 -1,-0.2 0.796 64.9 69.6 -80.9 -32.5 43.0 31.6 74.7 8 54 A A S > S- 0 0 0 54,-1.4 3,-1.8 -3,-0.2 4,-0.3 -0.798 74.0-156.0 -91.0 104.6 40.5 31.0 71.9 9 55 A P G >> S+ 0 0 2 0, 0.0 3,-1.6 0, 0.0 4,-0.5 0.772 84.8 73.3 -49.1 -34.2 42.2 32.5 68.8 10 56 A T G 34 S+ 0 0 10 1,-0.3 4,-0.4 2,-0.1 225,-0.3 0.794 100.6 43.1 -53.4 -32.1 38.8 33.0 67.0 11 57 A Y G <> S+ 0 0 0 -3,-1.8 4,-1.8 1,-0.1 -1,-0.3 0.359 86.7 92.1-100.7 5.2 38.0 35.9 69.3 12 58 A A H <> S+ 0 0 0 -3,-1.6 4,-1.9 -4,-0.3 5,-0.2 0.958 89.8 43.2 -63.6 -53.1 41.3 37.7 69.3 13 59 A G H X S+ 0 0 0 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.885 113.2 51.6 -62.3 -41.1 40.6 40.0 66.4 14 60 A G H > S+ 0 0 1 -4,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.888 113.0 42.4 -64.7 -42.6 37.0 40.9 67.5 15 61 A L H <>S+ 0 0 0 -4,-1.8 5,-2.4 2,-0.2 -1,-0.2 0.838 114.0 53.8 -72.2 -33.1 37.9 41.9 71.0 16 62 A X H ><5S+ 0 0 83 -4,-1.9 3,-1.7 -5,-0.2 -2,-0.2 0.913 106.3 52.6 -64.3 -45.8 41.0 43.8 69.7 17 63 A X H 3<5S+ 0 0 108 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.840 105.1 55.5 -58.7 -38.0 38.8 45.7 67.3 18 64 A L T 3<5S- 0 0 5 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.335 124.9-100.0 -82.4 8.2 36.5 46.8 70.1 19 65 A G T < 5 + 0 0 44 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.476 63.3 164.2 90.7 2.9 39.4 48.3 72.1 20 66 A A < - 0 0 8 -5,-2.4 2,-1.1 -6,-0.1 -1,-0.2 -0.132 43.3-123.1 -55.5 148.9 40.0 45.4 74.5 21 67 A N E -a 3 0A 61 -19,-0.7 -17,-2.6 -16,-0.0 2,-0.6 -0.791 34.7-169.5 -96.6 90.1 43.3 45.4 76.4 22 68 A I E +a 4 0A 8 -2,-1.1 -17,-0.2 -19,-0.2 3,-0.1 -0.748 18.2 171.0 -87.7 118.9 44.6 42.0 75.3 23 69 A V E + 0 0 13 -19,-1.4 20,-0.5 -2,-0.6 2,-0.3 0.419 69.1 26.3-107.2 -2.9 47.7 40.9 77.3 24 70 A A E +a 5 0A 0 -20,-1.0 -18,-3.2 18,-0.1 2,-0.3 -0.945 63.2 178.5-160.4 138.1 47.9 37.4 76.1 25 71 A V E -ac 6 44A 0 18,-2.2 20,-2.0 -2,-0.3 -18,-0.2 -0.990 40.3 -92.6-144.2 148.1 46.7 35.7 72.9 26 72 A N E > - c 0 45A 0 -20,-1.5 3,-1.9 -2,-0.3 20,-0.2 -0.390 35.9-126.1 -62.5 132.9 47.0 32.1 71.5 27 73 A Q G > S+ 0 0 99 18,-3.5 3,-2.2 1,-0.3 4,-0.2 0.704 98.2 82.4 -53.3 -24.3 50.1 31.7 69.4 28 74 A Q G > S+ 0 0 78 17,-0.3 3,-2.1 1,-0.3 -1,-0.3 0.736 72.3 75.8 -57.3 -22.7 48.0 30.5 66.4 29 75 A V G X S+ 0 0 0 -3,-1.9 3,-1.4 1,-0.3 7,-0.3 0.716 81.2 71.8 -63.5 -17.5 47.2 34.0 65.4 30 76 A D G < S+ 0 0 37 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.609 81.2 70.4 -72.9 -11.9 50.7 34.3 64.0 31 77 A Q G < S+ 0 0 141 -3,-2.1 2,-0.4 -4,-0.2 -1,-0.3 0.584 90.7 77.6 -78.2 -10.1 49.8 32.0 61.2 32 78 A S S <> S- 0 0 1 -3,-1.4 4,-2.4 -4,-0.2 5,-0.2 -0.866 72.1-150.9-103.0 132.9 47.7 34.9 60.0 33 79 A X H > S+ 0 0 138 -2,-0.4 4,-1.0 2,-0.2 -1,-0.1 0.845 99.8 45.7 -68.4 -33.2 49.4 37.8 58.2 34 80 A V H > S+ 0 0 22 2,-0.2 4,-1.7 1,-0.1 -1,-0.2 0.954 119.2 37.2 -73.7 -53.2 46.7 40.2 59.4 35 81 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.820 108.6 62.7 -73.1 -30.4 46.6 39.0 63.1 36 82 A X H < S+ 0 0 158 -4,-2.4 -1,-0.2 -7,-0.3 -2,-0.2 0.949 110.2 42.2 -57.9 -44.4 50.3 38.4 63.4 37 83 A D H >< S+ 0 0 83 -4,-1.0 3,-0.9 -5,-0.2 -2,-0.2 0.865 112.7 52.1 -68.9 -39.3 50.8 42.2 62.7 38 84 A X H 3< S+ 0 0 118 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.836 117.1 39.4 -67.4 -31.8 47.9 43.3 65.0 39 85 A F T >< S+ 0 0 0 -4,-2.3 3,-2.1 -5,-0.1 -1,-0.2 0.195 77.8 132.7-105.3 16.3 49.2 41.3 67.9 40 86 A X T < S+ 0 0 194 -3,-0.9 3,-0.1 1,-0.3 -3,-0.0 -0.498 77.4 27.2 -68.1 131.3 53.0 41.9 67.6 41 87 A G T 3 S+ 0 0 82 1,-0.4 2,-0.4 -2,-0.2 -1,-0.3 0.276 96.8 112.7 100.0 -13.6 54.2 42.8 71.0 42 88 A V S < S- 0 0 18 -3,-2.1 -1,-0.4 1,-0.1 -18,-0.1 -0.813 79.0-104.3 -94.6 134.0 51.4 40.8 72.7 43 89 A T - 0 0 56 -20,-0.5 -18,-2.2 -2,-0.4 2,-0.3 -0.302 35.0-139.7 -58.7 132.9 52.5 37.8 74.6 44 90 A X E -c 25 0A 60 -20,-0.2 2,-0.3 -17,-0.1 -18,-0.2 -0.697 21.0-175.6 -95.3 147.2 51.7 34.5 72.8 45 91 A I E -c 26 0A 1 -20,-2.0 -18,-3.5 -2,-0.3 -17,-0.3 -0.940 13.6-141.4-139.0 160.8 50.5 31.4 74.6 46 92 A G > - 0 0 3 -2,-0.3 3,-2.6 -20,-0.2 6,-0.1 -0.860 41.4 -79.6-121.1 158.6 49.7 27.8 73.7 47 93 A D T 3 S+ 0 0 95 -2,-0.3 3,-0.0 1,-0.3 -1,-0.0 -0.323 121.1 26.6 -56.0 128.5 46.9 25.5 74.8 48 94 A G T 3 S+ 0 0 40 1,-0.1 2,-2.3 -2,-0.0 3,-0.3 0.175 83.7 122.2 102.0 -17.1 47.8 24.1 78.2 49 95 A D <> + 0 0 46 -3,-2.6 4,-1.7 1,-0.2 5,-0.1 -0.397 23.1 150.0 -78.8 66.4 50.0 27.1 79.1 50 96 A V H > S+ 0 0 19 -2,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.897 70.2 50.2 -66.5 -40.7 48.0 28.0 82.3 51 97 A E H > S+ 0 0 153 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.890 107.0 54.0 -66.2 -39.6 51.1 29.4 84.1 52 98 A X H > S+ 0 0 139 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.927 110.7 47.6 -59.4 -43.3 52.0 31.7 81.2 53 99 A V H >< S+ 0 0 0 -4,-1.7 3,-1.2 1,-0.2 -2,-0.2 0.939 110.4 51.9 -62.1 -45.6 48.5 33.1 81.2 54 100 A A H >< S+ 0 0 25 -4,-2.4 3,-2.5 1,-0.3 -2,-0.2 0.891 99.7 63.2 -57.7 -42.5 48.7 33.5 85.0 55 101 A X H 3< S+ 0 0 190 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.782 97.9 58.4 -55.8 -25.9 51.9 35.5 84.7 56 102 A E T << S- 0 0 23 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.448 103.3-132.1 -85.5 0.4 50.0 38.1 82.7 57 103 A X < - 0 0 189 -3,-2.5 -54,-0.2 -4,-0.2 -3,-0.1 0.929 32.3-165.6 51.9 54.1 47.5 38.8 85.5 58 104 A P - 0 0 1 0, 0.0 -54,-0.2 0, 0.0 3,-0.1 -0.310 25.1-158.9 -70.9 156.1 44.4 38.6 83.4 59 105 A D S S+ 0 0 28 -56,-4.4 2,-0.3 1,-0.4 -55,-0.2 0.628 85.5 19.5-101.1 -24.9 41.0 39.9 84.6 60 106 A L E -b 4 0A 2 -57,-1.6 -55,-2.7 17,-0.1 2,-0.5 -0.990 66.6-155.5-146.5 138.0 39.2 37.7 82.1 61 107 A I E -bd 5 79A 0 17,-2.2 19,-2.6 -2,-0.3 2,-0.5 -0.976 14.2-147.9-117.7 120.2 40.2 34.6 80.1 62 108 A I E +bd 6 80A 0 -57,-2.9 -55,-1.9 -2,-0.5 -54,-1.4 -0.785 29.2 160.3 -92.7 125.2 38.4 34.0 76.9 63 109 A V E - d 0 81A 0 17,-2.9 19,-1.7 -2,-0.5 2,-0.2 -0.863 41.4-101.3-138.6 169.4 38.0 30.3 75.9 64 110 A Y > - 0 0 47 -2,-0.3 3,-1.7 17,-0.2 19,-0.1 -0.575 37.6-116.9 -86.1 156.2 36.0 27.8 73.8 65 111 A S T 3 S+ 0 0 23 17,-0.4 -1,-0.1 1,-0.3 5,-0.1 0.825 116.6 55.4 -64.1 -28.0 33.3 25.8 75.6 66 112 A T T 3 S+ 0 0 103 3,-0.0 -1,-0.3 4,-0.0 2,-0.2 0.373 75.4 124.9 -86.5 4.7 35.3 22.7 74.7 67 113 A D X - 0 0 23 -3,-1.7 3,-0.6 1,-0.2 -4,-0.0 -0.489 50.4-155.6 -65.9 130.6 38.5 23.9 76.3 68 114 A X T 3 S+ 0 0 207 -2,-0.2 3,-0.4 1,-0.2 -1,-0.2 0.669 85.0 64.0 -82.9 -17.1 39.6 21.3 78.8 69 115 A D T >> + 0 0 22 1,-0.2 4,-2.9 2,-0.1 3,-1.3 0.268 65.8 106.6 -92.5 14.0 41.6 23.6 81.0 70 116 A I H <> S+ 0 0 23 -3,-0.6 4,-2.5 1,-0.3 -1,-0.2 0.918 77.0 56.6 -55.1 -46.5 38.6 25.8 82.1 71 117 A X H 34 S+ 0 0 120 -3,-0.4 -1,-0.3 1,-0.2 4,-0.1 0.716 114.0 42.1 -58.4 -21.1 38.8 24.2 85.5 72 118 A X H X4 S+ 0 0 165 -3,-1.3 3,-1.2 2,-0.1 4,-0.3 0.836 110.3 52.7 -93.1 -42.7 42.4 25.4 85.6 73 119 A Y H >X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 3,-1.9 0.833 98.3 67.6 -62.8 -32.9 41.9 28.9 84.1 74 120 A Q T 3< S+ 0 0 2 -4,-2.5 267,-0.5 1,-0.3 -1,-0.2 0.728 90.7 62.1 -61.4 -23.3 39.2 29.7 86.6 75 121 A X T <4 S+ 0 0 149 -3,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.656 110.2 41.9 -75.9 -15.2 41.8 29.6 89.4 76 122 A V T <4 S- 0 0 30 -3,-1.9 -2,-0.2 1,-0.4 -1,-0.2 0.836 131.5 -31.6 -96.8 -44.8 43.5 32.5 87.6 77 123 A A S < S- 0 0 0 -4,-2.0 -1,-0.4 -16,-0.0 -17,-0.1 -0.974 83.1 -59.9-168.9 161.7 40.6 34.7 86.6 78 124 A P - 0 0 1 0, 0.0 -17,-2.2 0, 0.0 2,-0.6 -0.277 55.3-137.6 -52.9 135.8 36.9 34.4 85.6 79 125 A T E -dE 61 339A 0 260,-2.1 260,-2.7 -19,-0.2 2,-0.6 -0.882 11.7-152.3-107.3 115.5 36.8 32.3 82.4 80 126 A V E -dE 62 338A 0 -19,-2.6 -17,-2.9 -2,-0.6 2,-0.6 -0.744 1.7-157.6 -93.4 120.1 34.5 33.4 79.6 81 127 A V E -dE 63 337A 0 256,-3.2 256,-2.4 -2,-0.6 2,-0.4 -0.836 10.9-166.6 -94.5 121.8 33.0 30.9 77.3 82 128 A V - 0 0 0 -19,-1.7 -17,-0.4 -2,-0.6 251,-0.1 -0.932 29.5-103.0-112.2 135.8 31.9 32.4 74.0 83 129 A D - 0 0 29 249,-0.7 2,-0.8 -2,-0.4 12,-0.1 -0.200 25.5-141.2 -54.7 140.7 29.7 30.4 71.5 84 130 A Y + 0 0 85 2,-0.0 2,-0.7 -74,-0.0 -1,-0.1 -0.796 32.0 163.9-109.6 88.3 31.5 28.9 68.6 85 131 A N - 0 0 44 -2,-0.8 7,-0.1 3,-0.2 6,-0.1 -0.905 21.5-169.2-111.0 109.9 29.2 29.3 65.6 86 132 A X S S+ 0 0 126 -2,-0.7 66,-0.3 1,-0.2 3,-0.2 0.807 87.6 45.4 -64.2 -30.4 31.0 28.8 62.3 87 133 A H S S+ 0 0 74 1,-0.2 2,-1.4 64,-0.1 3,-0.2 0.860 102.1 61.6 -83.2 -40.2 27.9 30.1 60.3 88 134 A X > + 0 0 132 1,-0.2 4,-1.1 62,-0.1 -1,-0.2 -0.477 57.9 155.5 -92.0 68.1 27.0 33.2 62.3 89 135 A Y H > S+ 0 0 11 -2,-1.4 4,-0.9 -3,-0.2 -1,-0.2 0.757 71.1 50.7 -64.3 -29.3 30.2 35.2 61.9 90 136 A L H > S+ 0 0 15 -3,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.842 110.3 46.6 -81.3 -35.6 28.5 38.6 62.4 91 137 A E H > S+ 0 0 68 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.702 100.1 69.6 -79.9 -12.3 26.8 37.7 65.6 92 138 A Q H X S+ 0 0 11 -4,-1.1 4,-1.7 1,-0.2 3,-0.4 0.971 102.0 46.4 -61.6 -46.5 30.0 36.2 66.8 93 139 A Q H X S+ 0 0 5 -4,-0.9 4,-1.4 1,-0.2 -1,-0.2 0.789 108.2 55.2 -64.3 -30.0 31.2 39.8 66.9 94 140 A E H X S+ 0 0 23 -4,-0.9 4,-1.1 2,-0.2 -1,-0.2 0.827 104.0 55.1 -72.7 -30.3 28.1 40.9 68.7 95 141 A X H >X S+ 0 0 21 -4,-1.9 4,-1.0 -3,-0.4 3,-0.7 0.932 107.9 48.7 -65.1 -44.7 28.7 38.4 71.4 96 142 A L H 3X S+ 0 0 0 -4,-1.7 4,-1.4 1,-0.3 3,-0.2 0.827 104.0 60.6 -64.5 -32.1 32.1 39.9 72.0 97 143 A G H 3X>S+ 0 0 0 -4,-1.4 5,-2.9 1,-0.2 4,-0.5 0.821 98.6 58.6 -64.5 -30.3 30.6 43.3 72.1 98 144 A X H <<5S+ 0 0 51 -4,-1.1 3,-0.4 -3,-0.7 -1,-0.2 0.868 100.9 55.4 -66.7 -37.0 28.5 42.1 75.1 99 145 A I H <5S+ 0 0 1 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.928 118.7 31.3 -62.0 -46.3 31.7 41.3 77.1 100 146 A V H <5S- 0 0 16 -4,-1.4 -1,-0.2 -80,-0.0 -2,-0.2 0.326 111.2-115.4 -95.9 6.8 33.2 44.8 76.7 101 147 A G T <5S+ 0 0 45 -4,-0.5 -3,-0.2 -3,-0.4 -4,-0.1 0.946 80.8 117.1 60.3 51.8 29.8 46.6 76.7 102 148 A X >< + 0 0 112 -5,-2.9 4,-1.1 -8,-0.1 3,-0.2 -0.135 19.8 133.6-141.4 42.9 30.1 47.9 73.1 103 149 A E H > S+ 0 0 39 -6,-0.4 4,-1.9 1,-0.2 -5,-0.1 0.737 72.9 53.9 -68.3 -26.3 27.2 46.3 71.3 104 150 A D H > S+ 0 0 114 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.828 105.4 54.5 -77.9 -29.2 26.0 49.5 69.6 105 151 A X H > S+ 0 0 134 -3,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.825 109.1 49.5 -69.7 -30.3 29.5 50.0 68.2 106 152 A V H X S+ 0 0 1 -4,-1.1 4,-3.2 2,-0.2 -2,-0.2 0.914 106.6 54.0 -72.8 -45.0 29.2 46.5 66.8 107 153 A X H X S+ 0 0 149 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.889 110.1 48.5 -56.7 -40.2 25.8 47.2 65.2 108 154 A A H X S+ 0 0 59 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.909 112.0 47.7 -65.5 -44.3 27.4 50.2 63.5 109 155 A W H X S+ 0 0 29 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.908 111.3 52.4 -62.7 -42.1 30.3 48.2 62.3 110 156 A X H X S+ 0 0 78 -4,-3.2 4,-2.6 2,-0.2 5,-0.2 0.894 107.5 50.8 -60.9 -43.8 27.9 45.5 61.1 111 157 A X H X S+ 0 0 159 -4,-2.1 4,-2.3 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56.5 -72.9 -5.9 45.8 19.2 43.2 208 254 A E G < S+ 0 0 13 -3,-0.7 -1,-0.3 1,-0.1 -2,-0.2 0.296 105.6 49.5-106.5 8.3 46.9 22.2 41.2 209 255 A S S < S+ 0 0 48 -3,-1.5 -2,-0.2 -5,-0.1 2,-0.2 0.220 79.3 111.9-131.3 14.1 49.2 20.3 38.9 210 256 A T S > S- 0 0 36 -4,-0.2 4,-2.3 -3,-0.1 5,-0.2 -0.498 78.6-113.8 -82.7 158.6 47.1 17.3 37.8 211 257 A N H > S+ 0 0 117 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.811 117.3 54.2 -64.6 -28.9 46.2 17.2 34.1 212 258 A X H 4 S+ 0 0 38 2,-0.2 4,-0.5 1,-0.2 3,-0.4 0.931 107.8 48.6 -71.2 -42.8 42.5 17.6 35.0 213 259 A W H >4 S+ 0 0 8 1,-0.2 3,-1.8 2,-0.2 6,-0.3 0.950 109.5 52.7 -59.9 -48.1 43.3 20.8 37.0 214 260 A X H 3< S+ 0 0 147 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.771 109.3 51.1 -58.9 -25.9 45.3 22.2 34.2 215 261 A N T 3< S+ 0 0 97 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.457 79.8 119.7 -93.7 -1.0 42.4 21.6 31.8 216 262 A L S <> S- 0 0 5 -3,-1.8 4,-2.6 -4,-0.5 5,-0.2 -0.354 70.9-126.9 -62.1 142.3 39.8 23.3 33.9 217 263 A X H > S+ 0 0 194 1,-0.2 4,-1.7 2,-0.2 6,-0.2 0.855 111.1 51.9 -61.0 -33.7 38.2 26.2 32.1 218 264 A A H 4>S+ 0 0 2 -26,-0.3 5,-3.9 2,-0.2 4,-0.3 0.897 110.6 47.7 -69.6 -39.1 38.9 28.5 35.0 219 265 A T H >45S+ 0 0 35 -6,-0.3 3,-1.1 3,-0.2 -2,-0.2 0.938 113.9 46.2 -65.5 -48.0 42.6 27.4 35.0 220 266 A X H 3<5S+ 0 0 163 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.815 113.8 49.3 -66.0 -29.9 43.0 27.9 31.3 221 267 A E T 3<5S- 0 0 103 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.439 115.7-114.2 -89.4 2.0 41.2 31.3 31.4 222 268 A G T < 5S+ 0 0 47 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.838 73.0 137.2 70.3 33.0 43.4 32.5 34.3 223 269 A H < + 0 0 5 -5,-3.9 -28,-2.3 -6,-0.2 2,-0.7 -0.033 25.4 121.9-101.1 30.9 40.5 32.6 36.7 224 270 A I E -n 195 0B 41 -6,-0.3 2,-0.6 -5,-0.2 -28,-0.2 -0.853 44.3-163.7 -98.0 119.4 42.3 31.0 39.7 225 271 A V E -n 196 0B 3 -30,-3.7 -28,-3.5 -2,-0.7 2,-0.4 -0.898 6.5-161.2-102.7 114.2 42.3 33.3 42.7 226 272 A X E -n 197 0B 91 -2,-0.6 2,-0.3 -30,-0.2 -28,-0.2 -0.816 10.8-177.6 -99.5 136.9 44.9 32.2 45.3 227 273 A V - 0 0 0 -30,-2.4 -27,-1.3 -2,-0.4 2,-0.7 -0.903 36.9 -92.1-131.2 158.8 44.6 33.3 48.9 228 274 A D B > -O 199 0C 27 -2,-0.3 4,-2.6 1,-0.2 3,-0.3 -0.591 30.1-157.2 -75.3 111.8 46.6 32.9 52.1 229 275 A A T 4 S+ 0 0 13 -31,-0.7 4,-0.4 -2,-0.7 -1,-0.2 0.898 91.2 51.6 -53.4 -47.8 45.3 29.9 53.9 230 276 A G T 4 S+ 0 0 23 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.847 112.9 44.7 -61.4 -36.8 46.6 31.0 57.3 231 277 A T T >4 S+ 0 0 0 -3,-0.3 3,-1.0 1,-0.2 -1,-0.2 0.886 110.7 53.8 -75.2 -39.4 45.0 34.4 57.0 232 278 A Y T 3< S+ 0 0 0 -4,-2.6 -79,-0.7 1,-0.2 -1,-0.2 0.422 86.5 82.9 -76.7 2.1 41.7 33.1 55.7 233 279 A W T 3 S+ 0 0 98 -3,-0.5 -1,-0.2 -4,-0.4 -80,-0.2 0.819 86.6 66.5 -74.7 -26.2 41.3 30.7 58.7 234 280 A Y < - 0 0 8 -3,-1.0 -80,-0.2 -4,-0.3 -81,-0.1 -0.435 57.2-165.4 -94.7 164.7 39.9 33.6 60.8 235 281 A N + 0 0 18 -225,-0.3 -1,-0.1 -2,-0.1 -3,-0.1 0.041 41.8 129.1-138.4 29.9 36.7 35.6 60.6 236 282 A D S > S- 0 0 0 1,-0.1 4,-3.5 -144,-0.1 5,-0.2 -0.353 74.9 -95.7 -79.2 166.1 37.3 38.6 62.9 237 283 A P H > S+ 0 0 4 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.863 124.3 48.8 -50.5 -44.9 36.6 42.2 61.7 238 284 A Y H > S+ 0 0 35 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.956 115.8 43.2 -62.5 -49.7 40.2 42.9 60.7 239 285 A T H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.930 112.9 53.7 -61.1 -45.8 40.5 39.6 58.8 240 286 A L H X S+ 0 0 1 -4,-3.5 4,-2.5 1,-0.2 -2,-0.2 0.930 107.6 49.6 -56.0 -47.5 37.1 40.2 57.3 241 287 A D H X S+ 0 0 59 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.919 113.0 49.1 -58.9 -41.5 38.1 43.6 55.9 242 288 A F H X S+ 0 0 41 -4,-2.0 4,-3.2 2,-0.2 5,-0.2 0.954 112.4 44.0 -63.1 -54.0 41.2 42.1 54.5 243 289 A X H X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 5,-0.4 0.895 111.4 58.4 -58.8 -37.9 39.6 39.1 52.7 244 290 A R H X S+ 0 0 47 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.969 114.2 34.3 -54.4 -57.7 36.9 41.6 51.5 245 291 A X H X S+ 0 0 134 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.893 119.5 52.5 -66.2 -40.0 39.5 43.8 49.7 246 292 A D H X S+ 0 0 15 -4,-3.2 4,-1.8 -5,-0.2 -2,-0.2 0.876 113.7 40.9 -65.3 -41.7 41.7 40.8 48.7 247 293 A L H X S+ 0 0 0 -4,-3.2 4,-2.3 -5,-0.2 5,-0.3 0.897 115.0 50.9 -75.4 -41.2 38.9 38.8 47.1 248 294 A X H X S+ 0 0 73 -4,-2.0 4,-1.8 -5,-0.4 5,-0.2 0.935 113.0 46.8 -61.2 -46.5 37.3 41.8 45.4 249 295 A E H X S+ 0 0 90 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.914 114.6 44.6 -64.0 -45.0 40.6 42.9 43.9 250 296 A X H X S+ 0 0 66 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.2 0.880 112.8 49.1 -70.3 -38.1 41.7 39.5 42.6 251 297 A L H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.938 113.4 47.4 -66.1 -45.6 38.4 38.5 41.1 252 298 A I H < S+ 0 0 65 -4,-1.8 3,-0.5 -5,-0.3 -2,-0.2 0.929 111.3 49.0 -62.6 -47.3 38.0 41.8 39.3 253 299 A X H < S+ 0 0 211 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.778 116.5 43.9 -64.8 -25.0 41.6 41.8 37.9 254 300 A A H < S+ 0 0 25 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.629 86.7 139.7 -92.3 -14.7 41.1 38.2 36.7 255 301 A A < 0 0 28 -4,-1.3 -127,-0.1 -3,-0.5 -3,-0.1 0.124 360.0 360.0 -36.0 131.2 37.6 39.0 35.3 256 302 A X 0 0 213 -128,-0.1 -128,-0.1 -33,-0.0 -129,-0.0 0.081 360.0 360.0 44.0 360.0 36.7 37.4 31.9 257 !* 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 0.0 258 46 B D 0 0 76 0, 0.0 21,-0.1 0, 0.0 100,-0.0 0.000 360.0 360.0 360.0 -33.3 27.2 49.4 85.0 259 47 B P + 0 0 111 0, 0.0 19,-0.0 0, 0.0 -158,-0.0 0.751 360.0 109.1 -92.6 -20.4 24.3 49.2 82.5 260 48 B X S S- 0 0 36 1,-0.1 19,-0.7 57,-0.1 2,-0.3 -0.273 75.5-112.0 -60.5 136.8 25.0 45.8 81.0 261 49 B R E -f 279 0A 96 54,-0.3 56,-3.0 17,-0.1 57,-1.6 -0.533 31.8-164.9 -73.1 126.4 22.6 43.1 82.0 262 50 B I E -fg 280 318A 4 17,-2.8 19,-1.5 -2,-0.3 20,-0.9 -0.961 8.5-159.6-118.3 126.1 24.0 40.3 84.2 263 51 B A E -fg 282 319A 1 55,-3.0 57,-2.5 -2,-0.5 2,-1.1 -0.904 9.2-158.7-105.9 108.9 22.2 37.0 84.7 264 52 B V E +fg 283 320A 0 18,-2.5 20,-1.7 -2,-0.7 39,-0.2 -0.732 23.3 163.6 -92.8 93.3 23.5 35.3 87.9 265 53 B V + 0 0 3 55,-1.6 56,-0.2 -2,-1.1 -1,-0.2 0.850 66.0 68.5 -75.6 -36.8 22.8 31.6 87.7 266 54 B A S > S- 0 0 0 54,-1.5 3,-2.0 1,-0.2 4,-0.2 -0.750 74.4-156.5 -89.7 101.9 25.2 30.6 90.4 267 55 B P G >> S+ 0 0 4 0, 0.0 3,-1.7 0, 0.0 4,-0.5 0.738 83.6 74.8 -45.8 -35.2 23.7 32.1 93.7 268 56 B T G 34 S+ 0 0 8 1,-0.3 4,-0.3 2,-0.1 225,-0.3 0.839 101.7 41.9 -50.6 -35.1 27.0 32.3 95.5 269 57 B Y G <> S+ 0 0 0 -3,-2.0 4,-1.8 1,-0.1 -1,-0.3 0.338 87.8 92.9 -98.7 5.6 28.0 35.3 93.4 270 58 B A H <> S+ 0 0 0 -3,-1.7 4,-2.3 -4,-0.2 5,-0.2 0.967 89.3 42.1 -62.8 -57.1 24.7 37.2 93.4 271 59 B G H X S+ 0 0 0 -4,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.880 112.8 55.0 -59.9 -39.5 25.4 39.5 96.4 272 60 B G H > S+ 0 0 1 -4,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.911 112.2 40.6 -62.3 -44.7 28.9 40.1 95.3 273 61 B L H <>S+ 0 0 2 -4,-1.8 5,-2.2 2,-0.2 -1,-0.2 0.844 114.0 54.4 -72.5 -34.4 28.0 41.4 91.9 274 62 B X H ><5S+ 0 0 82 -4,-2.3 3,-2.1 -5,-0.2 -2,-0.2 0.964 106.1 54.2 -58.8 -51.5 25.1 43.3 93.3 275 63 B X H 3<5S+ 0 0 95 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.801 103.4 54.8 -51.0 -40.2 27.5 45.0 95.7 276 64 B L T 3<5S- 0 0 14 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.303 124.7 -97.2 -82.6 9.1 29.8 46.2 92.9 277 65 B G T < 5 + 0 0 45 -3,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.721 66.7 160.3 85.0 23.0 27.0 48.0 91.1 278 66 B A < - 0 0 13 -5,-2.2 2,-1.3 -4,-0.2 -1,-0.2 -0.507 45.6-122.6 -79.7 147.3 26.1 45.3 88.5 279 67 B N E -f 261 0A 66 -19,-0.7 -17,-2.8 -2,-0.2 2,-0.8 -0.726 32.5-167.7 -91.0 90.6 22.7 45.4 86.8 280 68 B I E +f 262 0A 8 -2,-1.3 -17,-0.2 -19,-0.2 3,-0.1 -0.720 16.5 172.2 -85.4 108.4 21.4 42.0 87.7 281 69 B V E + 0 0 14 -19,-1.5 20,-0.4 -2,-0.8 2,-0.3 0.373 68.9 24.7 -98.8 5.1 18.4 41.1 85.6 282 70 B A E -f 263 0A 0 -20,-0.9 -18,-2.5 18,-0.1 2,-0.3 -0.907 64.4-179.9-166.0 136.2 18.0 37.5 86.7 283 71 B V E -fh 264 302A 0 18,-2.5 20,-2.3 -2,-0.3 -18,-0.2 -0.998 39.1 -91.8-143.9 147.1 19.1 35.6 89.8 284 72 B N E > - h 0 303A 0 -20,-1.7 3,-1.9 -2,-0.3 4,-0.2 -0.308 35.3-127.5 -58.8 132.2 18.9 32.0 91.0 285 73 B Q G > S+ 0 0 93 18,-2.3 3,-1.9 1,-0.3 -1,-0.1 0.670 99.0 78.2 -54.4 -24.4 15.7 31.5 93.2 286 74 B Q G > S+ 0 0 91 1,-0.3 3,-2.5 17,-0.3 4,-0.3 0.749 74.2 77.4 -60.3 -26.2 17.7 30.0 96.1 287 75 B V G X S+ 0 0 0 -3,-1.9 3,-2.0 1,-0.3 7,-0.4 0.835 81.2 70.9 -55.0 -27.3 18.8 33.4 97.1 288 76 B D G < S+ 0 0 43 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.598 80.5 71.1 -66.7 -9.5 15.3 33.7 98.6 289 77 B Q G < S+ 0 0 137 -3,-2.5 2,-0.5 199,-0.1 -1,-0.3 0.581 89.3 78.8 -80.0 -9.4 16.2 31.2 101.3 290 78 B S S <> S- 0 0 1 -3,-2.0 4,-2.4 -4,-0.3 5,-0.3 -0.864 73.0-150.0-101.8 130.4 18.3 34.1 102.7 291 79 B X H > S+ 0 0 135 -2,-0.5 4,-1.1 2,-0.2 -1,-0.1 0.886 100.5 47.0 -63.6 -37.4 16.6 36.9 104.6 292 80 B V H > S+ 0 0 21 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.967 117.6 37.4 -69.4 -54.1 19.4 39.2 103.4 293 81 B L H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.806 108.8 62.4 -72.1 -29.4 19.4 38.3 99.7 294 82 B X H < S+ 0 0 169 -4,-2.4 4,-0.2 -7,-0.4 -1,-0.2 0.907 110.6 42.0 -61.4 -39.5 15.7 37.8 99.4 295 83 B D H >< S+ 0 0 90 -4,-1.1 3,-1.0 -5,-0.3 -2,-0.2 0.912 112.6 52.8 -73.1 -42.3 15.3 41.5 100.3 296 84 B X H 3< S+ 0 0 120 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.846 116.7 38.8 -61.7 -35.0 18.2 42.6 98.1 297 85 B F T >< S+ 0 0 0 -4,-2.3 3,-1.7 -5,-0.1 -1,-0.2 0.239 77.5 132.9-103.4 14.5 16.8 40.9 95.1 298 86 B X T < S+ 0 0 190 -3,-1.0 3,-0.1 1,-0.3 -3,-0.0 -0.384 76.0 27.9 -64.9 142.8 13.1 41.5 95.4 299 87 B G T 3 S+ 0 0 89 1,-0.3 2,-0.4 -2,-0.0 -1,-0.3 0.608 98.2 113.8 82.3 7.2 11.7 42.7 92.0 300 88 B V S < S- 0 0 18 -3,-1.7 -1,-0.3 -17,-0.0 -18,-0.1 -0.953 79.3-102.1-112.5 132.9 14.5 40.9 90.2 301 89 B T - 0 0 46 -2,-0.4 -18,-2.5 -20,-0.4 2,-0.3 -0.320 35.2-141.3 -57.7 126.2 13.5 37.9 88.0 302 90 B X E -h 283 0A 54 -20,-0.2 2,-0.4 -2,-0.1 -18,-0.2 -0.689 16.4-165.0 -89.8 140.4 14.2 34.6 89.7 303 91 B I E -h 284 0A 1 -20,-2.3 -18,-2.3 -2,-0.3 -17,-0.3 -0.968 7.8-145.6-129.1 142.6 15.4 31.7 87.7 304 92 B G > - 0 0 3 -2,-0.4 3,-1.8 -20,-0.2 6,-0.1 -0.613 43.8 -76.2 -99.2 164.9 15.6 28.0 88.5 305 93 B D T 3 S+ 0 0 111 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.370 120.9 18.1 -61.5 131.7 18.3 25.6 87.5 306 94 B G T 3 S+ 0 0 33 1,-0.2 2,-3.6 -2,-0.1 3,-0.3 0.130 81.0 132.4 94.9 -22.0 17.8 24.7 83.8 307 95 B D <> + 0 0 42 -3,-1.8 4,-1.8 1,-0.2 -1,-0.2 -0.290 17.5 153.3 -63.8 68.5 15.6 27.7 83.0 308 96 B V H > S+ 0 0 18 -2,-3.6 4,-2.4 2,-0.2 -1,-0.2 0.859 71.0 52.8 -68.2 -33.7 17.6 28.6 79.9 309 97 B E H > S+ 0 0 157 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.939 106.8 51.1 -66.6 -47.5 14.5 30.2 78.4 310 98 B X H > S+ 0 0 140 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.890 112.3 47.6 -56.3 -40.8 13.9 32.4 81.4 311 99 B V H >< S+ 0 0 1 -4,-1.8 3,-0.9 1,-0.2 4,-0.3 0.935 109.5 53.1 -65.8 -45.4 17.5 33.5 81.2 312 100 B A H >< S+ 0 0 36 -4,-2.4 3,-2.3 1,-0.3 -2,-0.2 0.920 101.7 60.1 -54.6 -47.8 17.2 34.1 77.5 313 101 B X H 3< S+ 0 0 182 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.782 96.8 60.1 -53.2 -32.2 14.1 36.3 78.0 314 102 B E T << S- 0 0 15 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.494 100.9-134.3 -78.2 -2.1 16.1 38.8 80.2 315 103 B X < - 0 0 204 -3,-2.3 -54,-0.3 -4,-0.3 2,-0.1 0.945 31.4-167.6 48.4 61.7 18.5 39.5 77.3 316 104 B P - 0 0 1 0, 0.0 -54,-0.2 0, 0.0 3,-0.1 -0.476 28.0-156.2 -80.8 151.3 21.7 39.3 79.4 317 105 B D S S+ 0 0 24 -56,-3.0 2,-0.3 1,-0.3 -55,-0.2 0.709 87.2 20.9 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513 301 B A H << 0 0 23 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.840 360.0 360.0 -81.1 -36.7 28.0 37.7 127.9 514 302 B X < 0 0 259 -4,-1.3 -3,-0.0 -3,-0.1 -129,-0.0 0.323 360.0 360.0 -57.9 360.0 26.2 40.2 130.2