==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 31-MAR-09 3GVY . COMPND 2 MOLECULE: BACTERIOFERRITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES; . AUTHOR K.Y.HWANG,K.H.NAM . 473 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22173.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 403 85.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 13 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 329 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 1 2 4 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M 0 0 87 0, 0.0 2,-0.0 0, 0.0 289,-0.0 0.000 360.0 360.0 360.0 142.7 19.7 47.6 37.2 2 2 A Q - 0 0 144 64,-0.1 2,-0.2 1,-0.1 64,-0.2 -0.347 360.0-166.5 -64.7 134.6 20.2 49.4 33.9 3 3 A G - 0 0 16 62,-1.2 -1,-0.1 1,-0.1 59,-0.0 -0.703 37.1 -61.2-123.0 168.1 21.2 47.0 31.1 4 4 A D > - 0 0 55 -2,-0.2 4,-2.1 1,-0.2 5,-0.2 -0.247 44.4-136.2 -53.7 122.3 22.6 47.2 27.7 5 5 A A H > S+ 0 0 80 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.768 105.6 43.3 -53.0 -21.1 20.0 49.2 25.6 6 6 A K H > S+ 0 0 100 2,-0.2 4,-3.3 3,-0.1 5,-0.3 0.868 102.5 61.2 -96.4 -38.7 20.5 46.7 22.9 7 7 A V H > S+ 0 0 0 1,-0.2 4,-3.4 2,-0.2 -2,-0.2 0.945 107.9 50.2 -51.7 -44.3 20.5 43.5 24.9 8 8 A I H X S+ 0 0 21 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.961 108.2 49.6 -57.0 -54.4 17.0 44.6 25.8 9 9 A E H X S+ 0 0 102 -4,-1.1 4,-2.7 1,-0.2 -2,-0.2 0.919 114.4 47.2 -50.4 -47.8 16.0 45.2 22.2 10 10 A Y H X S+ 0 0 28 -4,-3.3 4,-3.1 1,-0.2 -2,-0.2 0.931 110.1 51.9 -59.8 -48.9 17.4 41.7 21.4 11 11 A L H X S+ 0 0 0 -4,-3.4 4,-1.9 -5,-0.3 -1,-0.2 0.838 110.8 48.6 -57.7 -37.4 15.5 40.2 24.3 12 12 A N H X S+ 0 0 24 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.915 110.2 49.6 -64.9 -48.5 12.3 41.8 23.0 13 13 A A H X S+ 0 0 19 -4,-2.7 4,-1.0 1,-0.2 3,-0.2 0.979 112.0 49.7 -55.0 -54.4 12.8 40.5 19.5 14 14 A A H >X S+ 0 0 1 -4,-3.1 4,-2.0 1,-0.2 3,-1.1 0.900 110.2 51.3 -42.1 -50.5 13.5 37.1 21.1 15 15 A L H 3X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.3 -1,-0.2 0.867 105.2 54.2 -63.3 -39.0 10.2 37.5 23.1 16 16 A R H 3X S+ 0 0 89 -4,-2.6 59,-0.7 -3,-0.2 4,-0.5 0.720 109.6 52.6 -63.7 -17.9 8.3 38.3 20.0 17 17 A S H S+ 0 0 2 -4,-2.5 5,-2.9 2,-0.2 4,-0.2 0.835 111.3 49.9 -65.1 -36.7 -3.8 17.8 14.6 33 33 A E H ><5S+ 0 0 74 -4,-1.6 3,-1.2 -5,-0.3 5,-0.3 0.920 110.5 49.9 -72.5 -38.9 -6.0 16.4 17.3 34 34 A D H 3<5S+ 0 0 89 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.704 106.3 57.7 -67.2 -21.4 -9.1 17.4 15.4 35 35 A W T 3<5S- 0 0 84 -4,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.503 128.1 -98.2 -83.5 -5.0 -7.6 15.7 12.3 36 36 A G T < 5S+ 0 0 37 -3,-1.2 119,-0.9 -4,-0.2 2,-0.4 0.553 96.7 110.1 102.5 6.3 -7.4 12.4 14.3 37 37 A F >>< + 0 0 49 -5,-2.9 4,-1.4 117,-0.2 3,-0.9 -0.485 28.5 153.0-112.1 58.4 -3.7 12.7 15.3 38 38 A G T 34 + 0 0 15 -2,-0.4 4,-0.4 -5,-0.3 116,-0.2 0.625 65.4 62.7 -64.6 -13.2 -4.0 13.3 19.0 39 39 A S T 3> S+ 0 0 42 114,-1.5 4,-0.7 2,-0.2 -1,-0.2 0.782 108.7 38.0 -87.3 -28.4 -0.7 11.8 19.9 40 40 A I H <> S+ 0 0 2 113,-1.0 4,-3.0 -3,-0.9 -2,-0.2 0.709 113.8 59.9 -85.3 -19.5 1.4 14.3 17.9 41 41 A A H X S+ 0 0 1 -4,-1.4 4,-0.6 112,-0.3 -2,-0.2 0.659 98.7 56.7 -79.6 -16.4 -1.1 16.8 19.1 42 42 A H H > S+ 0 0 98 -4,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.817 111.7 42.7 -78.9 -33.5 -0.1 15.9 22.7 43 43 A K H X S+ 0 0 64 -4,-0.7 4,-2.8 2,-0.2 5,-0.3 0.940 107.8 57.4 -72.1 -47.8 3.5 16.8 21.8 44 44 A S H X S+ 0 0 9 -4,-3.0 4,-0.8 1,-0.3 -15,-0.2 0.818 108.7 51.9 -55.1 -26.4 2.6 19.9 19.9 45 45 A R H X S+ 0 0 83 -4,-0.6 4,-1.4 2,-0.2 -1,-0.3 0.912 108.1 45.7 -76.1 -47.6 0.9 20.9 23.2 46 46 A K H X S+ 0 0 96 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.865 109.4 57.5 -68.5 -32.1 3.8 20.4 25.5 47 47 A E H X S+ 0 0 19 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.795 106.1 51.1 -64.8 -29.1 6.1 22.2 23.0 48 48 A S H X S+ 0 0 0 -4,-0.8 4,-0.9 -5,-0.3 -1,-0.2 0.829 109.2 47.4 -75.7 -34.4 3.8 25.1 23.3 49 49 A I H X S+ 0 0 49 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.764 109.0 57.1 -75.3 -28.8 3.9 25.2 27.1 50 50 A E H X S+ 0 0 59 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.906 108.5 44.8 -67.5 -44.6 7.7 24.9 26.9 51 51 A E H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.798 106.2 63.5 -71.6 -23.6 7.8 28.0 24.8 52 52 A M H X S+ 0 0 56 -4,-0.9 4,-2.2 1,-0.2 3,-0.2 0.961 104.2 44.4 -62.0 -48.6 5.4 29.4 27.3 53 53 A H H X S+ 0 0 113 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.700 108.5 61.9 -69.4 -23.7 8.0 29.2 30.1 54 54 A H H X S+ 0 0 9 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.918 106.6 41.4 -63.1 -51.1 10.6 30.6 27.7 55 55 A A H X S+ 0 0 6 -4,-1.9 4,-3.1 -3,-0.2 5,-0.3 0.937 110.6 58.9 -67.1 -40.5 8.7 33.9 27.2 56 56 A D H X S+ 0 0 23 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.899 107.8 45.4 -52.5 -45.5 8.1 33.9 30.9 57 57 A K H X S+ 0 0 88 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.911 112.5 52.0 -62.2 -45.2 11.9 33.8 31.5 58 58 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.940 109.6 47.3 -61.1 -51.4 12.5 36.5 28.9 59 59 A I H X S+ 0 0 2 -4,-3.1 4,-2.0 1,-0.2 3,-0.4 0.942 109.5 55.9 -55.8 -43.1 9.9 38.9 30.3 60 60 A Q H X S+ 0 0 88 -4,-2.1 4,-1.2 -5,-0.3 -1,-0.2 0.908 110.4 45.2 -51.9 -46.5 11.5 38.3 33.8 61 61 A R H X S+ 0 0 29 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.751 110.0 52.3 -72.1 -31.6 14.9 39.3 32.5 62 62 A I H <>S+ 0 0 0 -4,-1.8 5,-2.3 -3,-0.4 -1,-0.2 0.968 107.9 50.1 -71.4 -52.6 13.9 42.4 30.6 63 63 A I H ><5S+ 0 0 12 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.852 107.9 57.4 -55.0 -32.9 12.0 43.9 33.6 64 64 A F H 3<5S+ 0 0 15 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.976 104.1 49.5 -60.0 -56.2 15.2 43.2 35.5 65 65 A L T 3<5S- 0 0 8 -4,-2.0 -62,-1.2 1,-0.1 -1,-0.3 0.210 124.2-106.1 -68.1 15.4 17.3 45.3 33.1 66 66 A G T < 5S+ 0 0 53 -3,-1.2 -3,-0.2 1,-0.2 2,-0.2 0.862 77.3 137.1 57.7 38.4 14.7 48.0 33.5 67 67 A G < - 0 0 23 -5,-2.3 -1,-0.2 -6,-0.1 -62,-0.0 -0.527 57.5-115.8-101.8 179.1 13.2 47.4 30.0 68 68 A H - 0 0 120 -2,-0.2 2,-0.6 2,-0.0 -56,-0.0 -0.937 26.0-135.4-120.9 105.8 9.6 47.3 28.7 69 69 A P - 0 0 2 0, 0.0 2,-1.2 0, 0.0 3,-0.2 -0.499 11.9-144.5 -66.2 108.9 8.6 43.8 27.4 70 70 A N + 0 0 60 -2,-0.6 3,-0.3 1,-0.2 -2,-0.0 -0.669 36.9 155.8 -72.3 98.5 6.7 44.3 24.1 71 71 A L + 0 0 5 -2,-1.2 -1,-0.2 1,-0.2 269,-0.1 0.612 51.1 93.6 -92.6 -13.9 4.1 41.5 24.2 72 72 A Q S S+ 0 0 54 -3,-0.2 2,-0.3 268,-0.1 319,-0.3 0.592 81.8 44.0 -58.2 -24.4 1.9 43.5 21.8 73 73 A R - 0 0 75 -3,-0.3 2,-0.2 317,-0.1 -53,-0.1 -0.968 56.6-163.6-136.8 147.2 3.1 41.9 18.5 74 74 A L - 0 0 25 315,-0.4 -57,-0.1 -2,-0.3 -58,-0.1 -0.716 25.5-114.7-115.3 165.5 3.9 38.6 17.0 75 75 A N - 0 0 66 -59,-0.7 2,-0.7 -2,-0.2 -1,-0.1 -0.193 59.0 -56.8 -88.8-173.2 5.7 37.6 13.8 76 76 A P - 0 0 101 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.572 59.6-138.9 -78.2 116.6 4.2 36.0 10.8 77 77 A L - 0 0 25 -2,-0.7 2,-0.4 312,-0.1 312,-0.1 -0.475 7.7-146.9 -73.7 134.8 2.6 32.7 11.9 78 78 A R - 0 0 95 -2,-0.2 2,-0.4 11,-0.1 -1,-0.0 -0.855 13.8-173.5-100.6 133.1 2.9 29.5 9.8 79 79 A I - 0 0 53 -2,-0.4 7,-0.1 10,-0.0 6,-0.1 -0.874 12.5-147.6-130.9 106.7 0.0 27.0 9.7 80 80 A G - 0 0 3 -2,-0.4 3,-0.1 5,-0.2 6,-0.0 -0.190 4.8-156.0 -58.1 153.2 0.3 23.7 8.0 81 81 A Q S S+ 0 0 149 1,-0.2 2,-0.3 -50,-0.0 -1,-0.1 0.520 80.1 38.2-103.3 -9.9 -2.7 22.1 6.4 82 82 A T S >> S- 0 0 33 1,-0.1 4,-2.2 0, 0.0 3,-0.9 -0.969 95.4-101.1-138.8 147.4 -1.4 18.6 6.5 83 83 A L H 3> S+ 0 0 9 -2,-0.3 4,-1.6 1,-0.2 3,-0.4 0.868 123.9 49.7 -33.6 -53.9 0.7 16.7 9.1 84 84 A R H 3> S+ 0 0 98 1,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.858 109.2 50.3 -60.2 -39.3 3.8 17.3 7.0 85 85 A E H <> S+ 0 0 77 -3,-0.9 4,-2.6 1,-0.2 3,-0.3 0.835 107.1 56.4 -67.0 -34.3 3.2 21.0 6.6 86 86 A T H X S+ 0 0 1 -4,-2.2 4,-1.4 -3,-0.4 -1,-0.2 0.849 108.2 46.7 -60.5 -40.9 2.7 21.2 10.4 87 87 A L H X S+ 0 0 5 -4,-1.6 4,-0.9 -5,-0.3 -1,-0.2 0.566 114.8 47.4 -81.9 -10.8 6.2 19.7 10.9 88 88 A D H X S+ 0 0 81 -4,-0.7 4,-3.5 -3,-0.3 5,-0.3 0.801 106.5 55.4 -92.3 -42.0 7.7 22.1 8.4 89 89 A A H X S+ 0 0 8 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.922 113.5 43.4 -58.4 -42.3 6.1 25.1 9.8 90 90 A D H X S+ 0 0 8 -4,-1.4 4,-3.0 2,-0.2 5,-0.3 0.953 113.5 51.0 -66.1 -46.6 7.7 24.2 13.1 91 91 A L H X S+ 0 0 30 -4,-0.9 4,-1.4 1,-0.2 -2,-0.2 0.905 111.3 46.9 -58.2 -44.1 11.0 23.4 11.5 92 92 A A H X S+ 0 0 40 -4,-3.5 4,-1.8 2,-0.2 -1,-0.2 0.810 113.7 50.7 -70.5 -27.5 11.3 26.7 9.6 93 93 A A H X S+ 0 0 14 -4,-1.4 4,-2.3 -5,-0.3 5,-0.3 0.982 108.3 49.0 -71.2 -57.9 10.3 28.5 12.8 94 94 A E H X S+ 0 0 1 -4,-3.0 4,-0.8 1,-0.2 -2,-0.2 0.741 111.0 53.9 -53.8 -26.8 12.9 26.8 15.0 95 95 A H H X S+ 0 0 91 -4,-1.4 4,-2.0 -5,-0.3 -1,-0.2 0.948 111.1 41.8 -73.3 -51.0 15.5 27.6 12.3 96 96 A D H X S+ 0 0 87 -4,-1.8 4,-1.9 1,-0.2 5,-0.2 0.999 112.3 54.9 -56.9 -68.2 14.7 31.3 12.2 97 97 A A H X S+ 0 0 7 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.754 110.0 50.5 -30.0 -36.7 14.4 31.5 15.9 98 98 A R H X S+ 0 0 85 -4,-0.8 4,-2.1 -5,-0.3 3,-0.5 0.992 101.9 53.8 -75.2 -63.2 17.9 30.0 16.0 99 99 A T H X S+ 0 0 87 -4,-2.0 4,-1.7 1,-0.3 -1,-0.2 0.858 113.5 49.9 -33.4 -44.2 19.8 32.2 13.7 100 100 A L H X S+ 0 0 40 -4,-1.9 4,-2.6 1,-0.2 5,-0.3 0.910 103.1 55.0 -69.1 -44.8 18.5 35.0 15.9 101 101 A Y H X S+ 0 0 0 -4,-1.7 4,-1.6 -3,-0.5 -1,-0.2 0.825 110.5 48.1 -65.0 -28.7 19.4 33.6 19.3 102 102 A I H X S+ 0 0 67 -4,-2.1 4,-4.0 2,-0.2 -1,-0.2 0.939 110.3 49.0 -72.6 -45.2 23.0 33.3 18.3 103 103 A E H < S+ 0 0 111 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.856 117.6 42.1 -65.5 -34.9 23.2 36.8 16.8 104 104 A A H >X S+ 0 0 1 -4,-2.6 4,-1.4 2,-0.2 3,-1.2 0.820 113.4 54.7 -69.4 -40.1 21.7 38.1 20.0 105 105 A R H >X S+ 0 0 59 -4,-1.6 4,-1.1 -5,-0.3 3,-1.0 0.968 102.9 55.2 -57.0 -52.8 23.9 35.7 21.9 106 106 A D H 3< S+ 0 0 80 -4,-4.0 4,-0.3 1,-0.3 -1,-0.3 0.373 108.9 51.1 -63.1 -1.4 27.1 37.1 20.2 107 107 A H H <> S+ 0 0 43 -3,-1.2 4,-2.1 -5,-0.2 -1,-0.3 0.707 95.4 64.7-108.6 -34.9 26.1 40.5 21.4 108 108 A C H <<>S+ 0 0 0 -4,-1.4 5,-4.3 -3,-1.0 -2,-0.2 0.864 105.1 46.1 -63.2 -38.3 25.5 39.8 25.1 109 109 A E T ><5S+ 0 0 16 -4,-1.1 3,-3.1 3,-0.3 -1,-0.2 0.944 107.4 57.1 -65.0 -46.9 29.1 39.0 25.7 110 110 A K T 345S+ 0 0 162 1,-0.3 -2,-0.2 -4,-0.3 -1,-0.2 0.940 113.7 39.9 -51.1 -46.4 30.4 42.0 23.7 111 111 A V T 3<5S- 0 0 48 -4,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.423 119.8-121.5 -83.3 7.4 28.4 44.1 26.0 112 112 A R T < 5 + 0 0 78 -3,-3.1 2,-1.0 1,-0.2 -3,-0.3 0.777 66.0 141.4 58.8 34.2 29.6 41.8 28.8 113 113 A D >< + 0 0 12 -5,-4.3 4,-0.6 -6,-0.2 -1,-0.2 -0.720 20.5 168.4-101.0 81.8 26.1 40.8 29.8 114 114 A Y H > + 0 0 7 -2,-1.0 4,-2.6 2,-0.2 3,-0.4 0.856 65.5 52.6 -71.8 -39.5 26.9 37.2 30.5 115 115 A P H 4 S+ 0 0 22 0, 0.0 -1,-0.2 0, 0.0 5,-0.2 0.952 111.9 50.3 -64.6 -37.7 23.8 35.8 32.3 116 116 A S H >4 S+ 0 0 0 1,-0.2 3,-0.5 2,-0.2 4,-0.2 0.723 108.4 54.7 -63.3 -22.3 21.7 37.2 29.5 117 117 A K H >X S+ 0 0 0 -4,-0.6 3,-1.5 -3,-0.4 4,-1.4 0.918 106.0 49.5 -74.2 -44.4 24.1 35.4 27.2 118 118 A M T 3< S+ 0 0 42 -4,-2.6 4,-0.3 1,-0.3 -1,-0.2 0.120 100.9 63.7 -84.5 19.4 23.6 32.0 28.8 119 119 A L T <> S+ 0 0 29 -3,-0.5 4,-1.4 2,-0.1 -1,-0.3 0.409 106.1 45.5-106.5 -16.3 19.9 32.5 28.6 120 120 A F H <> S+ 0 0 0 -3,-1.5 4,-2.7 -4,-0.2 -2,-0.2 0.717 108.8 55.6 -88.7 -29.9 20.5 32.4 24.8 121 121 A E H X S+ 0 0 70 -4,-1.4 4,-2.0 2,-0.2 5,-0.2 0.933 110.2 46.7 -63.9 -46.7 22.8 29.4 25.4 122 122 A E H > S+ 0 0 101 -4,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.973 114.6 45.5 -55.3 -52.9 19.8 27.8 27.1 123 123 A L H X S+ 0 0 3 -4,-1.4 4,-3.2 1,-0.2 5,-0.2 0.906 110.1 54.1 -62.9 -40.7 17.4 28.7 24.3 124 124 A I H X S+ 0 0 22 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.921 110.4 46.3 -59.5 -48.5 19.7 27.7 21.6 125 125 A A H X S+ 0 0 66 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.843 113.5 50.4 -60.0 -40.0 20.1 24.2 23.1 126 126 A D H X S+ 0 0 38 -4,-2.4 4,-2.9 -5,-0.2 -2,-0.2 0.975 113.1 44.2 -59.4 -57.0 16.3 24.0 23.5 127 127 A E H X S+ 0 0 1 -4,-3.2 4,-3.5 2,-0.2 -2,-0.2 0.943 114.3 49.5 -53.0 -52.9 15.6 25.0 20.0 128 128 A E H X S+ 0 0 87 -4,-3.0 4,-3.6 1,-0.3 -1,-0.2 0.929 109.5 51.9 -59.4 -45.6 18.3 22.7 18.7 129 129 A G H X S+ 0 0 39 -4,-2.6 4,-2.2 2,-0.2 -1,-0.3 0.950 111.9 47.0 -46.2 -52.0 16.8 19.9 20.8 130 130 A H H X S+ 0 0 7 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.886 111.2 51.4 -61.1 -40.3 13.5 20.8 19.2 131 131 A I H X S+ 0 0 13 -4,-3.5 4,-2.7 2,-0.2 5,-0.3 0.950 106.3 55.2 -57.6 -51.3 15.2 20.8 15.7 132 132 A D H X S+ 0 0 100 -4,-3.6 4,-1.8 1,-0.2 -2,-0.2 0.942 110.9 45.1 -43.6 -56.5 16.6 17.4 16.5 133 133 A Y H X S+ 0 0 63 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.875 111.2 51.1 -64.0 -41.2 13.1 16.0 17.2 134 134 A L H X S+ 0 0 2 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.950 108.2 52.7 -61.0 -45.7 11.5 17.6 14.2 135 135 A E H X S+ 0 0 91 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.919 105.5 53.4 -57.1 -45.1 14.0 16.2 11.8 136 136 A T H X S+ 0 0 70 -4,-1.8 4,-3.7 -5,-0.3 3,-0.3 0.911 107.1 52.7 -60.3 -43.2 13.6 12.7 13.1 137 137 A Q H X S+ 0 0 26 -4,-1.8 4,-3.4 1,-0.2 -1,-0.3 0.917 109.5 47.9 -56.4 -45.2 9.9 12.9 12.5 138 138 A I H X S+ 0 0 52 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.728 115.0 45.8 -73.9 -23.5 10.4 14.0 8.9 139 139 A D H < S+ 0 0 112 -4,-1.8 -2,-0.2 -3,-0.3 5,-0.2 0.937 114.9 47.5 -74.5 -56.2 12.9 11.2 8.3 140 140 A L H >X S+ 0 0 58 -4,-3.7 4,-2.1 1,-0.2 3,-1.0 0.897 115.6 47.3 -46.7 -47.1 10.6 8.7 10.0 141 141 A M H 3X S+ 0 0 6 -4,-3.4 4,-2.7 1,-0.3 2,-1.5 0.977 109.4 47.9 -65.8 -59.0 7.8 10.0 7.9 142 142 A G H 3< S+ 0 0 66 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.1 -0.146 115.6 50.4 -78.6 40.5 9.4 10.0 4.5 143 143 A S H <4 S+ 0 0 100 -2,-1.5 -1,-0.2 -3,-1.0 -2,-0.2 0.383 121.5 24.9-134.8 -57.6 10.6 6.5 5.2 144 144 A I H < S- 0 0 74 -4,-2.1 4,-0.4 -5,-0.2 -2,-0.2 0.522 119.9-111.9 -81.8 -9.7 7.6 4.5 6.3 145 145 A G X - 0 0 27 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.113 24.9 -76.8 90.4 159.7 5.3 7.0 4.5 146 146 A E H > S+ 0 0 98 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.570 121.6 48.1 -76.3 -14.3 2.8 9.7 5.3 147 147 A Q H > S+ 0 0 168 2,-0.2 4,-2.7 -3,-0.2 -1,-0.2 0.868 111.4 46.3 -91.8 -46.2 -0.2 7.5 6.2 148 148 A N H > S+ 0 0 93 -4,-0.4 4,-3.3 1,-0.2 5,-0.4 0.970 110.2 58.0 -56.8 -49.6 1.6 5.1 8.5 149 149 A Y H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.893 109.3 43.7 -39.8 -51.9 3.1 8.1 10.1 150 150 A G H < S+ 0 0 2 -4,-0.8 4,-0.3 2,-0.2 -1,-0.2 0.871 114.1 49.2 -68.7 -38.1 -0.4 9.4 10.8 151 151 A M H >< S+ 0 0 143 -4,-2.7 3,-2.8 1,-0.2 -2,-0.2 0.998 110.8 49.4 -62.7 -60.5 -1.7 6.1 12.0 152 152 A L H 3< S+ 0 0 102 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.792 116.4 47.8 -40.7 -32.4 1.3 5.7 14.3 153 153 A N T 3< S+ 0 0 19 -4,-1.2 -114,-1.5 -5,-0.4 -113,-1.0 0.345 105.2 65.7-101.3 9.6 0.4 9.2 15.3 154 154 A A < - 0 0 33 -3,-2.8 -117,-0.2 -4,-0.3 -121,-0.0 -0.449 65.7-134.7-114.2-171.6 -3.3 8.9 15.9 155 155 A K - 0 0 143 -119,-0.9 2,-0.2 -2,-0.2 -117,-0.1 -0.994 11.8-127.2-147.3 155.6 -5.7 7.1 18.3 156 156 A P 0 0 121 0, 0.0 -120,-0.0 0, 0.0 0, 0.0 -0.650 360.0 360.0 -95.7 152.3 -8.9 5.0 18.1 157 157 A A 0 0 155 -2,-0.2 0, 0.0 0, 0.0 0, 0.0 0.846 360.0 360.0 -21.1 360.0 -12.2 5.4 20.0 158 !* 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 0.0 159 1 B M 0 0 163 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 116.6 47.1 20.9 38.5 160 2 B Q - 0 0 141 1,-0.1 64,-0.2 64,-0.1 63,-0.1 -0.410 360.0-151.5 -70.9 118.0 49.1 24.3 38.3 161 3 B G - 0 0 11 62,-2.9 2,-0.1 -2,-0.4 -1,-0.1 -0.364 29.1 -79.7 -86.4 160.7 46.8 27.2 37.4 162 4 B D > - 0 0 56 1,-0.1 4,-2.5 -2,-0.1 -1,-0.2 -0.368 42.7-126.7 -46.9 128.4 47.4 30.5 35.7 163 5 B A T 4 S+ 0 0 62 1,-0.2 -1,-0.1 2,-0.2 -2,-0.1 0.895 108.1 44.7 -53.2 -44.4 49.0 32.8 38.2 164 6 B K T >> S+ 0 0 93 1,-0.2 4,-1.6 2,-0.2 3,-1.4 0.889 109.1 53.8 -74.5 -38.1 46.4 35.5 37.6 165 7 B V H 3> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 3,-0.3 0.913 101.2 63.5 -58.6 -39.5 43.4 33.2 37.6 166 8 B I H 3< S+ 0 0 14 -4,-2.5 -1,-0.3 1,-0.2 60,-0.2 0.135 110.7 36.4 -76.5 26.2 44.7 32.0 41.0 167 9 B E H <> S+ 0 0 86 -3,-1.4 4,-1.3 3,-0.1 -1,-0.2 0.421 104.7 62.5-146.5 -19.2 44.2 35.5 42.4 168 10 B Y H >X S+ 0 0 49 -4,-1.6 4,-2.3 -3,-0.3 3,-1.1 0.946 107.8 51.2 -64.4 -45.4 41.0 36.6 40.7 169 11 B L H 3X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.3 -1,-0.2 0.813 109.0 51.2 -54.4 -33.1 39.8 33.6 42.7 170 12 B N H 3> S+ 0 0 29 2,-0.2 4,-1.2 -5,-0.2 -1,-0.3 0.668 108.3 48.3 -84.0 -22.7 41.4 35.2 45.7 171 13 B A H X S+ 0 0 46 -4,-1.4 4,-2.2 2,-0.2 3,-0.6 0.922 110.1 51.4 -88.5 -62.5 21.0 43.7 63.7 190 32 B Q H 3<>S+ 0 0 3 -4,-3.4 5,-1.7 1,-0.3 4,-0.5 0.831 113.9 51.3 -44.7 -35.6 17.9 43.6 61.7 191 33 B E H ><5S+ 0 0 93 -4,-1.8 3,-0.7 -5,-0.4 -1,-0.3 0.882 106.6 48.1 -72.3 -41.4 16.8 41.0 64.3 192 34 B D H <<5S+ 0 0 139 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.752 110.1 58.5 -68.2 -22.5 17.6 43.0 67.5 193 35 B W T 3<5S- 0 0 90 -4,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.645 122.8-102.7 -75.1 -24.1 15.7 45.9 65.8 194 36 B G T < 5S+ 0 0 39 -3,-0.7 2,-1.6 -4,-0.5 119,-0.7 0.149 88.9 114.8 118.9 -14.2 12.4 44.0 65.4 195 37 B F >< + 0 0 45 -5,-1.7 4,-1.7 1,-0.2 117,-0.2 -0.497 31.3 161.6 -93.7 71.1 12.6 43.0 61.7 196 38 B G H > + 0 0 14 -2,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.839 65.8 52.6 -57.8 -45.1 12.8 39.2 62.1 197 39 B S H >> S+ 0 0 11 114,-1.0 4,-1.6 1,-0.2 3,-0.8 0.986 114.5 38.6 -65.0 -60.1 11.8 38.2 58.6 198 40 B I H 3> S+ 0 0 2 113,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.843 112.6 61.1 -57.4 -30.2 14.2 40.3 56.6 199 41 B A H 3X S+ 0 0 0 -4,-1.7 4,-1.0 112,-0.4 -1,-0.2 0.900 105.0 48.8 -56.2 -40.1 16.7 39.5 59.3 200 42 B H H S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 4,-0.5 0.877 108.5 48.4 -57.4 -44.9 42.3 27.5 44.2 221 63 B I H ><5S+ 0 0 103 -4,-1.7 3,-1.5 1,-0.2 -1,-0.2 0.906 107.8 54.0 -69.6 -40.0 43.7 24.5 45.9 222 64 B F H 3<5S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.926 107.9 52.7 -56.8 -37.3 43.0 22.3 42.9 223 65 B L T 3<5S- 0 0 3 -4,-1.9 -62,-2.9 -5,-0.2 -1,-0.3 0.587 119.8-111.5 -78.2 -6.9 45.0 24.9 40.9 224 66 B G T < 5S+ 0 0 50 -3,-1.5 2,-0.2 -4,-0.5 -3,-0.2 0.896 74.9 130.4 77.4 42.2 47.9 24.7 43.3 225 67 B G < - 0 0 20 -5,-2.1 -1,-0.3 -6,-0.1 -58,-0.1 -0.763 61.0-112.1-119.7 170.9 47.4 28.2 44.7 226 68 B H - 0 0 168 -2,-0.2 -5,-0.0 -60,-0.2 -9,-0.0 -0.823 27.2-131.2-116.5 101.0 47.2 29.3 48.3 227 69 B P - 0 0 22 0, 0.0 2,-0.4 0, 0.0 -57,-0.1 -0.057 13.9-148.9 -51.3 148.2 43.9 30.5 49.6 228 70 B N + 0 0 89 1,-0.1 3,-0.4 -58,-0.1 -2,-0.0 -0.630 34.8 154.3-120.6 72.2 44.1 33.8 51.4 229 71 B L + 0 0 98 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.208 48.9 103.2 -79.1 20.5 41.4 33.9 54.1 230 72 B Q S S+ 0 0 122 1,-0.1 2,-0.4 -3,-0.0 -1,-0.2 0.939 81.4 14.7 -77.2 -51.3 43.6 36.4 56.0 231 73 B R - 0 0 187 -3,-0.4 2,-0.3 0, 0.0 -1,-0.1 -0.915 66.5-152.7-124.7 149.3 42.1 39.8 55.5 232 74 B L - 0 0 76 -2,-0.4 3,-0.1 1,-0.1 -57,-0.1 -0.933 28.9 -91.3-124.1 152.8 38.7 40.8 54.2 233 75 B N - 0 0 40 -2,-0.3 2,-0.4 -59,-0.3 -1,-0.1 0.127 58.3 -76.2 -49.1 164.3 37.6 44.0 52.3 234 76 B P - 0 0 116 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.606 56.0-133.6 -69.2 128.0 36.1 47.0 54.2 235 77 B L - 0 0 58 -2,-0.4 2,-0.7 -3,-0.1 -56,-0.0 -0.602 4.1-139.8 -87.2 141.9 32.6 46.2 55.2 236 78 B R - 0 0 98 -2,-0.3 2,-0.5 11,-0.2 15,-0.1 -0.869 20.6-172.1-101.0 114.6 29.6 48.4 54.9 237 79 B I - 0 0 96 -2,-0.7 7,-0.1 -52,-0.0 -54,-0.0 -0.905 17.0-134.3-109.7 121.6 27.3 48.2 58.0 238 80 B G - 0 0 6 -2,-0.5 3,-0.1 1,-0.1 6,-0.1 -0.253 9.4-158.7 -71.2 159.8 23.9 49.9 57.8 239 81 B Q S S+ 0 0 165 1,-0.2 2,-0.3 0, 0.0 -1,-0.1 0.316 79.8 26.5-119.7 0.5 22.5 52.1 60.6 240 82 B T S > S- 0 0 60 1,-0.1 4,-1.9 0, 0.0 -1,-0.2 -0.958 89.6-102.1-150.1 163.0 18.8 51.7 59.6 241 83 B L H >> S+ 0 0 17 -2,-0.3 4,-1.5 1,-0.2 3,-1.0 0.961 124.6 50.2 -51.7 -56.8 16.8 49.1 57.8 242 84 B R H 3> S+ 0 0 102 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.849 110.7 51.0 -46.8 -42.7 16.9 51.3 54.6 243 85 B E H 3> S+ 0 0 83 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.752 102.8 60.1 -69.7 -28.4 20.7 51.6 55.0 244 86 B T H X S+ 0 0 56 -4,-1.7 4,-1.5 -5,-0.2 3,-1.2 0.989 112.3 46.7 -58.4 -58.4 21.6 50.0 50.4 247 89 B A H 3X S+ 0 0 16 -4,-2.9 4,-1.5 1,-0.3 -1,-0.2 0.786 113.2 49.9 -60.7 -30.2 24.8 49.0 51.9 248 90 B D H 3X S+ 0 0 5 -4,-2.0 4,-1.7 1,-0.2 -1,-0.3 0.782 105.2 58.6 -76.6 -23.9 24.2 45.4 50.7 249 91 B L H X S+ 0 0 81 -4,-2.7 4,-2.5 2,-0.2 3,-0.9 0.998 110.1 44.8 -69.2 -62.6 31.0 45.6 43.3 255 97 B A H 3X S+ 0 0 4 -4,-2.1 4,-3.5 1,-0.3 5,-0.2 0.832 111.7 53.6 -53.0 -44.3 31.5 41.8 43.4 256 98 B R H 3X S+ 0 0 66 -4,-2.6 4,-1.4 2,-0.2 -1,-0.3 0.918 111.0 47.8 -52.9 -44.1 29.4 41.4 40.2 257 99 B T H X S+ 0 0 45 -4,-0.5 4,-1.9 -5,-0.2 3,-0.5 0.980 106.4 49.0 -56.5 -51.8 40.7 36.8 32.2 266 108 B C H 3X>S+ 0 0 0 -4,-2.1 5,-2.7 1,-0.3 4,-1.4 0.857 105.2 55.8 -52.9 -44.5 39.8 33.1 32.5 267 109 B E H 3<5S+ 0 0 61 -4,-1.0 -1,-0.3 3,-0.2 -2,-0.2 0.920 109.6 48.9 -51.7 -42.1 38.4 33.1 28.9 268 110 B K H <<5S+ 0 0 132 -4,-1.7 -2,-0.2 -3,-0.5 -1,-0.2 0.882 113.9 41.7 -73.3 -40.1 41.8 34.5 27.8 269 111 B V H <5S- 0 0 51 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.582 114.8-116.0 -85.0 -7.5 44.0 32.0 29.6 270 112 B R T <5 + 0 0 177 -4,-1.4 2,-0.9 -5,-0.3 -3,-0.2 0.843 66.2 145.3 81.5 31.9 41.7 29.2 28.6 271 113 B D >< + 0 0 25 -5,-2.7 4,-3.3 1,-0.2 -1,-0.2 -0.557 18.3 170.7-100.0 70.8 40.6 28.3 32.1 272 114 B Y H > + 0 0 95 -2,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.715 69.3 52.6 -56.6 -31.1 37.0 27.5 31.1 273 115 B P H > S+ 0 0 76 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.968 113.8 43.4 -75.3 -43.1 35.9 25.9 34.4 274 116 B S H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.973 111.0 58.0 -51.7 -50.9 37.0 28.9 36.3 275 117 B K H X S+ 0 0 25 -4,-3.3 4,-1.7 1,-0.2 -1,-0.2 0.881 109.8 43.4 -43.3 -44.1 35.4 30.8 33.5 276 118 B M H X S+ 0 0 64 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.870 105.1 61.9 -73.6 -37.2 32.2 29.0 34.3 277 119 B L H X S+ 0 0 27 -4,-2.6 4,-2.7 1,-0.2 3,-0.3 0.958 109.9 41.5 -49.5 -54.7 32.5 29.5 38.1 278 120 B F H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.3 -1,-0.2 0.895 109.1 57.0 -66.3 -40.6 32.4 33.2 37.6 279 121 B E H X S+ 0 0 4 -4,-1.7 4,-1.1 -5,-0.3 -1,-0.3 0.846 112.5 45.3 -62.5 -26.2 29.6 33.1 35.0 280 122 B E H X S+ 0 0 115 -4,-2.3 4,-1.2 -3,-0.3 -2,-0.3 0.894 108.2 55.0 -75.4 -44.2 27.7 31.2 37.7 281 123 B L H X S+ 0 0 5 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.846 104.0 57.3 -61.1 -33.8 28.7 33.7 40.5 282 124 B I H >X S+ 0 0 3 -4,-2.6 4,-2.1 1,-0.2 3,-1.0 0.988 103.0 51.7 -55.8 -60.3 27.3 36.5 38.5 283 125 B A H 3X S+ 0 0 43 -4,-1.1 4,-1.8 1,-0.3 -1,-0.2 0.750 110.9 49.7 -53.7 -26.8 23.9 35.0 38.2 284 126 B D H 3X S+ 0 0 71 -4,-1.2 4,-1.1 2,-0.2 -1,-0.3 0.800 110.8 46.5 -84.2 -30.1 23.8 34.6 42.0 285 127 B E H X S+ 0 0 33 -4,-4.4 3,-3.0 1,-0.2 4,-1.6 0.988 109.8 47.8 -55.4 -66.9 16.5 46.5 44.1 294 136 B T H 3X S+ 0 0 15 -4,-2.0 4,-2.2 1,-0.3 -1,-0.2 0.728 108.2 56.3 -41.7 -31.2 12.9 45.2 44.2 295 137 B Q H 3X S+ 0 0 12 -4,-1.6 4,-2.3 2,-0.2 -1,-0.3 0.825 107.5 48.7 -78.9 -26.5 13.0 45.6 47.9 296 138 B I H X S+ 0 0 1 -4,-2.2 4,-2.5 53,-0.2 3,-0.7 0.971 115.2 46.4 -55.9 -56.6 8.6 48.3 47.4 299 141 B M H 3< S+ 0 0 3 -4,-2.3 4,-0.3 1,-0.3 8,-0.2 0.957 111.0 52.4 -50.6 -63.6 10.1 50.2 50.3 300 142 B G H 3< S+ 0 0 50 -4,-3.3 3,-0.4 1,-0.2 -1,-0.3 0.796 116.9 40.3 -32.9 -43.3 10.0 53.5 48.3 301 143 B S H << S+ 0 0 64 -4,-1.9 -1,-0.2 -3,-0.7 -2,-0.2 0.852 114.5 43.0 -93.9 -35.5 6.3 53.0 47.4 302 144 B I S X S- 0 0 3 -4,-2.5 4,-0.6 -3,-0.2 5,-0.4 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