==== 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 ACTIN BINDING, STRUCTURAL PROTEIN 30-OCT-08 3F31 . COMPND 2 MOLECULE: SPECTRIN ALPHA CHAIN, BRAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.MEHBOOB,B.D.SANTARSIERO,F.LONG,M.WITEK,L.W.FUNG . 277 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18949.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 204 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 0 0 0 0 1 0 0 1 1 2 0 0 0 1 0 0 0 0 0 1 0 0 3 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 11 A T > 0 0 124 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -19.1 61.8 5.6 21.5 2 12 A A T 4 + 0 0 75 1,-0.2 0, 0.0 2,-0.2 0, 0.0 0.883 360.0 36.0 -59.4 -41.2 63.0 9.2 21.1 3 13 A E T >> S+ 0 0 156 2,-0.1 4,-1.4 1,-0.1 3,-1.3 0.819 114.1 58.5 -80.0 -34.4 62.8 8.9 17.3 4 14 A D H >> S+ 0 0 103 1,-0.3 4,-1.4 2,-0.2 3,-0.6 0.942 104.5 49.4 -57.4 -51.2 59.7 6.7 17.4 5 15 A I H 3< S+ 0 0 65 -4,-2.8 4,-0.3 1,-0.2 -1,-0.3 0.279 109.8 55.3 -77.0 13.2 57.7 9.3 19.3 6 16 A Q H <4 S+ 0 0 134 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.621 99.6 56.1-113.0 -29.1 58.7 11.8 16.7 7 17 A E H XX S+ 0 0 136 -4,-1.4 4,-2.6 -3,-0.6 3,-0.9 0.890 107.8 52.0 -65.9 -41.0 57.5 10.0 13.7 8 18 A R H 3X S+ 0 0 106 -4,-1.4 4,-2.3 1,-0.2 5,-0.4 0.965 108.1 47.6 -58.7 -56.6 54.0 9.9 15.2 9 19 A R H 34 S+ 0 0 74 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.421 116.9 46.9 -71.7 3.6 53.8 13.6 16.0 10 20 A Q H <> S+ 0 0 98 -3,-0.9 4,-1.0 -4,-0.1 -1,-0.2 0.705 108.9 50.7-108.2 -38.8 55.0 14.2 12.4 11 21 A Q H X S+ 0 0 140 -4,-2.6 4,-1.7 2,-0.2 5,-0.2 0.940 116.7 41.1 -63.9 -49.9 52.7 11.8 10.6 12 22 A V H X S+ 0 0 15 -4,-2.3 4,-2.9 1,-0.2 3,-0.3 0.950 112.9 53.0 -63.0 -50.8 49.6 13.2 12.3 13 23 A L H 4 S+ 0 0 72 -5,-0.4 4,-0.3 1,-0.2 -1,-0.2 0.756 107.6 56.2 -56.3 -23.8 50.7 16.8 12.0 14 24 A D H >< S+ 0 0 97 -4,-1.0 3,-0.6 1,-0.2 -1,-0.2 0.914 115.3 33.3 -75.3 -46.1 51.2 16.0 8.3 15 25 A R H 3< S+ 0 0 154 -4,-1.7 -2,-0.2 -3,-0.3 3,-0.2 0.679 97.9 85.7 -82.7 -19.4 47.6 14.9 7.7 16 26 A Y T 3< S+ 0 0 103 -4,-2.9 2,-0.3 1,-0.2 -1,-0.2 0.751 103.7 29.4 -52.5 -24.3 46.3 17.3 10.3 17 27 A H < + 0 0 101 -3,-0.6 -1,-0.2 -4,-0.3 3,-0.1 -0.923 58.8 134.0-143.9 116.0 46.3 19.7 7.3 18 28 A R S S+ 0 0 173 -2,-0.3 2,-0.2 1,-0.3 -1,-0.1 0.487 94.3 0.1-126.1 -27.8 45.8 18.9 3.7 19 29 A F >> - 0 0 134 1,-0.1 4,-1.2 0, 0.0 3,-0.7 -0.791 65.7-145.8-162.0 121.2 43.4 21.7 3.0 20 30 A K H 3> S+ 0 0 168 1,-0.2 4,-2.7 -2,-0.2 3,-0.4 0.872 96.3 62.0 -60.5 -39.5 42.3 24.1 5.7 21 31 A E H 3> S+ 0 0 108 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.849 102.1 51.5 -56.7 -37.1 38.8 24.5 4.4 22 32 A L H <> S+ 0 0 85 -3,-0.7 4,-1.7 2,-0.2 -1,-0.3 0.849 110.3 49.1 -68.4 -34.3 38.1 20.8 5.0 23 33 A S H X S+ 0 0 27 -4,-1.2 4,-2.0 -3,-0.4 5,-0.3 0.899 110.3 52.1 -68.6 -40.6 39.3 21.2 8.5 24 34 A T H X S+ 0 0 61 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.933 107.2 51.2 -60.4 -48.3 37.1 24.2 8.9 25 35 A L H X S+ 0 0 108 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.901 108.5 55.3 -54.2 -41.9 34.0 22.3 7.7 26 36 A R H X S+ 0 0 137 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.950 112.0 37.2 -59.5 -55.9 34.8 19.6 10.2 27 37 A R H X S+ 0 0 127 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.767 112.4 59.8 -74.1 -23.4 34.9 21.7 13.4 28 38 A Q H X S+ 0 0 85 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.880 104.6 51.5 -61.7 -39.1 32.0 23.7 12.0 29 39 A K H X S+ 0 0 152 -4,-1.8 4,-1.1 -5,-0.2 -2,-0.2 0.861 111.4 46.5 -65.3 -37.6 30.2 20.4 12.0 30 40 A L H X S+ 0 0 54 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.874 112.6 48.6 -72.3 -41.3 31.1 19.9 15.7 31 41 A E H X S+ 0 0 46 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.917 107.3 54.9 -65.5 -45.1 30.2 23.4 16.8 32 42 A D H X S+ 0 0 23 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.859 107.1 53.1 -55.6 -37.3 26.8 23.2 15.1 33 43 A S H X S+ 0 0 55 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.911 113.2 39.9 -66.8 -45.5 26.1 20.0 17.0 34 44 A Y H X S+ 0 0 52 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.848 112.8 55.8 -75.8 -34.2 26.8 21.5 20.4 35 45 A R H X S+ 0 0 44 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.901 109.7 47.5 -60.4 -41.5 25.1 24.8 19.6 36 46 A F H X S+ 0 0 40 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.921 108.9 54.4 -64.6 -44.1 22.0 22.8 18.7 37 47 A Q H X S+ 0 0 64 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.892 108.2 48.8 -57.8 -42.4 22.3 20.8 22.0 38 48 A F H X S+ 0 0 34 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.940 111.3 49.7 -65.0 -47.3 22.4 24.0 24.0 39 49 A F H X S+ 0 0 2 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.922 110.8 49.6 -54.5 -49.4 19.4 25.4 22.3 40 50 A Q H X S+ 0 0 50 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.919 111.4 48.2 -59.7 -44.6 17.3 22.2 22.7 41 51 A R H X S+ 0 0 149 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.856 114.4 47.0 -66.0 -35.5 18.1 22.0 26.4 42 52 A D H X S+ 0 0 44 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.888 110.8 51.5 -72.2 -39.3 17.2 25.7 26.9 43 53 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.898 109.2 49.5 -64.4 -41.9 14.0 25.3 24.9 44 54 A E H X S+ 0 0 126 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.854 109.5 53.7 -66.2 -34.0 12.8 22.4 26.9 45 55 A E H X S+ 0 0 65 -4,-1.2 4,-2.0 -5,-0.2 -2,-0.2 0.936 113.6 40.3 -64.5 -48.1 13.5 24.3 30.1 46 56 A L H X S+ 0 0 8 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.885 114.6 54.2 -67.9 -37.5 11.4 27.3 29.0 47 57 A E H X S+ 0 0 79 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.919 110.6 46.1 -59.5 -45.7 8.8 24.9 27.6 48 58 A K H X S+ 0 0 128 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.880 113.2 49.0 -65.1 -41.6 8.5 23.2 30.9 49 59 A W H X S+ 0 0 24 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.882 109.9 51.3 -68.0 -40.3 8.4 26.4 32.9 50 60 A I H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 3,-0.3 0.893 108.6 50.3 -65.4 -41.1 5.7 27.9 30.7 51 61 A Q H X S+ 0 0 87 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.875 106.4 54.9 -67.5 -37.3 3.4 24.9 31.0 52 62 A E H X S+ 0 0 89 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.804 110.0 49.8 -61.0 -29.4 3.7 24.9 34.8 53 63 A K H X S+ 0 0 18 -4,-1.0 4,-2.3 -3,-0.3 -2,-0.2 0.899 106.0 51.8 -78.5 -43.9 2.5 28.5 34.6 54 64 A L H < S+ 0 0 31 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.846 111.2 50.6 -59.2 -35.7 -0.5 27.9 32.4 55 65 A Q H >< S+ 0 0 143 -4,-1.7 3,-1.4 1,-0.2 -1,-0.2 0.948 109.5 48.1 -68.9 -50.1 -1.7 25.2 34.8 56 66 A I H >< S+ 0 0 90 -4,-1.6 3,-0.6 1,-0.3 -2,-0.2 0.876 96.4 73.0 -57.4 -38.4 -1.3 27.4 37.9 57 67 A A T 3< S+ 0 0 14 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.1 0.299 109.3 34.9 -62.7 14.5 -3.2 30.1 36.0 58 68 A S T < S+ 0 0 85 -3,-1.4 -1,-0.3 -5,-0.1 3,-0.1 -0.276 76.1 109.7-168.7 77.1 -6.2 27.8 36.7 59 69 A D S < S+ 0 0 89 -3,-0.6 2,-0.5 1,-0.4 -2,-0.1 0.651 93.2 1.0-106.6 -84.8 -6.3 25.8 39.9 60 70 A E + 0 0 133 -4,-0.2 -1,-0.4 1,-0.2 3,-0.2 -0.956 68.1 175.6-104.4 124.3 -9.1 27.2 42.1 61 71 A N S S+ 0 0 54 -2,-0.5 2,-0.8 1,-0.2 -1,-0.2 0.920 72.6 14.6 -90.0 -75.9 -10.9 30.1 40.4 62 72 A Y S S+ 0 0 99 2,-0.0 -1,-0.2 0, 0.0 2,-0.2 -0.764 88.9 145.7-105.9 86.2 -13.8 31.3 42.6 63 73 A K - 0 0 33 -2,-0.8 -3,-0.0 -3,-0.2 0, 0.0 -0.495 50.5-128.2-112.3-177.8 -13.2 29.7 46.0 64 74 A D S S+ 0 0 92 -2,-0.2 -1,-0.1 1,-0.0 -2,-0.0 0.776 83.3 81.8-102.0 -35.1 -13.8 30.6 49.6 65 75 A P S S+ 0 0 101 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 0.875 88.5 44.9 -39.4 -73.9 -10.4 30.1 51.4 66 76 A T S S- 0 0 52 1,-0.1 -3,-0.1 2,-0.1 2,-0.1 -0.463 78.6-128.4 -84.9 147.0 -8.5 33.3 50.6 67 77 A N > - 0 0 105 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.259 34.1 -95.7 -81.3 175.4 -9.9 36.9 50.8 68 78 A L H > S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.880 122.3 52.3 -61.4 -43.1 -9.7 39.5 48.0 69 79 A Q H > S+ 0 0 159 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.900 112.6 45.5 -60.5 -42.8 -6.5 41.1 49.4 70 80 A G H > S+ 0 0 19 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.892 112.3 49.5 -70.0 -41.4 -4.7 37.8 49.5 71 81 A K H X S+ 0 0 51 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.893 111.1 50.3 -66.1 -38.5 -5.8 36.7 46.1 72 82 A L H X S+ 0 0 30 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.871 109.6 51.1 -66.6 -38.5 -4.8 40.0 44.6 73 83 A Q H X S+ 0 0 77 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.937 110.4 49.1 -61.7 -47.6 -1.3 39.7 46.2 74 84 A K H X S+ 0 0 144 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.856 111.2 50.0 -60.6 -36.9 -0.9 36.2 44.8 75 85 A H H X S+ 0 0 16 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.859 108.2 51.8 -73.9 -34.5 -1.9 37.4 41.3 76 86 A Q H X S+ 0 0 17 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.835 109.1 50.4 -69.8 -32.8 0.5 40.3 41.4 77 87 A A H X S+ 0 0 20 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.894 110.0 52.7 -67.4 -38.6 3.4 38.0 42.4 78 88 A F H X S+ 0 0 24 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.963 111.5 43.4 -60.8 -55.1 2.4 35.7 39.5 79 89 A E H X S+ 0 0 11 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.865 112.6 55.9 -56.3 -38.0 2.4 38.5 36.9 80 90 A A H X S+ 0 0 6 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.939 108.0 45.6 -62.8 -48.2 5.7 39.7 38.4 81 91 A E H X S+ 0 0 39 -4,-2.5 4,-0.7 2,-0.2 -1,-0.2 0.910 113.2 50.6 -63.2 -43.9 7.5 36.4 38.0 82 92 A V H >< S+ 0 0 0 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.915 112.6 44.9 -59.1 -48.9 6.2 36.0 34.4 83 93 A Q H >< S+ 0 0 68 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.853 108.0 59.9 -63.5 -34.0 7.4 39.5 33.4 84 94 A A H 3< S+ 0 0 14 -4,-2.1 3,-0.2 1,-0.3 -1,-0.2 0.695 108.6 45.4 -66.3 -19.2 10.7 38.9 35.1 85 95 A N T X< S+ 0 0 7 -3,-0.8 3,-1.5 -4,-0.7 4,-0.4 0.206 76.8 106.6-110.3 11.6 11.2 35.9 32.8 86 96 A S T <> S+ 0 0 47 -3,-1.4 4,-0.6 1,-0.3 3,-0.2 0.623 72.1 65.8 -70.1 -12.8 10.2 37.6 29.5 87 97 A G H 3> S+ 0 0 33 -3,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.674 83.0 78.4 -78.3 -18.3 13.9 37.7 28.5 88 98 A A H <> S+ 0 0 13 -3,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.914 98.5 38.8 -57.2 -47.0 14.0 33.9 28.4 89 99 A I H > S+ 0 0 8 -4,-0.4 4,-1.9 -3,-0.2 -1,-0.2 0.764 110.5 61.4 -78.8 -24.2 12.2 33.6 25.0 90 100 A V H X S+ 0 0 91 -4,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.907 104.5 47.7 -64.3 -42.4 14.1 36.6 23.6 91 101 A K H X S+ 0 0 50 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.840 110.3 52.0 -70.1 -34.5 17.5 34.9 24.1 92 102 A L H X S+ 0 0 8 -4,-1.1 4,-3.3 2,-0.2 5,-0.3 0.883 107.5 52.4 -69.1 -40.0 16.2 31.7 22.4 93 103 A D H X S+ 0 0 30 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.899 111.2 48.0 -57.2 -44.2 15.0 33.7 19.4 94 104 A E H X S+ 0 0 122 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.932 117.4 40.5 -64.9 -46.2 18.4 35.3 19.1 95 105 A T H X S+ 0 0 45 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.906 120.1 43.6 -69.9 -44.2 20.3 31.9 19.4 96 106 A G H X S+ 0 0 0 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.886 113.0 50.6 -70.1 -41.7 17.8 30.0 17.2 97 107 A N H X S+ 0 0 82 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.750 106.3 56.5 -68.8 -26.3 17.5 32.7 14.5 98 108 A L H X S+ 0 0 87 -4,-1.2 4,-0.9 -5,-0.2 -1,-0.2 0.919 107.2 48.2 -71.0 -42.5 21.2 32.9 14.2 99 109 A M H >X>S+ 0 0 0 -4,-1.4 5,-2.5 1,-0.2 4,-0.7 0.906 112.2 49.8 -61.3 -41.9 21.5 29.2 13.5 100 110 A I H ><5S+ 0 0 34 -4,-1.9 3,-1.1 1,-0.2 -1,-0.2 0.925 106.9 54.6 -62.0 -42.9 18.8 29.5 10.9 101 111 A S H 3<5S+ 0 0 89 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.714 108.0 51.0 -66.1 -19.2 20.5 32.5 9.3 102 112 A E H <<5S- 0 0 96 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.602 118.0-108.0 -90.7 -14.2 23.6 30.4 8.9 103 113 A G T <<5 - 0 0 58 -3,-1.1 -3,-0.2 -4,-0.7 -2,-0.1 0.718 49.3-172.0 88.6 25.4 21.9 27.4 7.2 104 114 A H > < - 0 0 5 -5,-2.5 3,-1.6 -6,-0.1 -1,-0.1 -0.127 31.1-117.2 -52.3 146.1 22.3 25.2 10.3 105 115 A F T 3 S+ 0 0 133 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.764 111.6 48.8 -63.0 -30.4 21.3 21.6 9.7 106 116 A A T 3> S+ 0 0 11 1,-0.2 4,-2.6 2,-0.1 -1,-0.3 0.042 72.5 128.1 -97.7 25.9 18.4 21.5 12.2 107 117 A S H <> S+ 0 0 22 -3,-1.6 4,-2.7 1,-0.2 5,-0.2 0.841 70.7 49.6 -47.7 -43.6 16.9 24.8 10.8 108 118 A E H > S+ 0 0 154 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.959 112.0 46.3 -68.1 -49.0 13.4 23.3 10.4 109 119 A T H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 115.6 48.0 -55.8 -43.3 13.2 21.8 13.8 110 120 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.916 111.1 48.9 -66.2 -45.6 14.5 25.1 15.3 111 121 A R H X S+ 0 0 104 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.921 113.6 47.9 -60.1 -43.8 12.1 27.3 13.3 112 122 A T H X S+ 0 0 91 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107.9 49.4 -57.9 -43.0 13.1 43.0 40.6 174 43 B S H X S+ 0 0 52 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.935 112.8 46.8 -62.5 -46.3 13.2 40.2 43.1 175 44 B Y H X S+ 0 0 46 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.865 107.7 56.2 -65.3 -35.6 12.3 37.6 40.5 176 45 B R H X S+ 0 0 42 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.898 108.7 47.5 -64.1 -39.3 14.8 39.0 38.0 177 46 B F H X S+ 0 0 38 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.917 109.1 54.1 -66.0 -44.5 17.6 38.5 40.5 178 47 B Q H X S+ 0 0 112 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.913 111.7 44.7 -55.1 -45.6 16.4 34.9 41.2 179 48 B F H X S+ 0 0 22 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.892 111.5 52.6 -67.0 -40.4 16.5 34.1 37.5 180 49 B F H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.920 109.5 49.0 -61.6 -43.7 19.9 35.7 37.1 181 50 B Q H X S+ 0 0 56 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.849 109.9 52.3 -61.7 -38.7 21.4 33.7 40.0 182 51 B R H X S+ 0 0 72 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.921 110.4 48.4 -63.5 -44.6 19.9 30.5 38.5 183 52 B D H X S+ 0 0 29 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.892 111.3 49.2 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32.8 204 73 B K - 0 0 189 -3,-0.2 -2,-0.1 0, 0.0 -3,-0.0 0.357 62.8-122.0-149.5 -32.7 49.7 8.7 29.9 205 74 B D - 0 0 48 1,-0.1 7,-0.1 -4,-0.1 -3,-0.0 0.978 29.1-176.7 82.7 75.1 47.6 8.1 26.9 206 75 B P + 0 0 133 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.220 57.8 108.1 -79.2 13.8 48.4 4.8 25.1 207 76 B T S S- 0 0 83 1,-0.1 5,-0.1 2,-0.0 0, 0.0 -0.686 86.8 -78.6 -96.1 148.0 45.8 6.0 22.5 208 77 B N > - 0 0 97 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 -0.018 33.4-129.9 -40.1 137.3 46.6 7.2 19.0 209 78 B L H > S+ 0 0 19 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.832 110.4 57.4 -62.2 -30.2 47.8 10.8 18.9 210 79 B Q H > S+ 0 0 62 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.945 105.1 48.0 -62.9 -50.5 45.2 11.3 16.2 211 80 B G H > S+ 0 0 16 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.841 112.5 48.6 -61.2 -37.4 42.3 10.2 18.4 212 81 B K H X S+ 0 0 52 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.823 109.5 54.8 -70.9 -33.3 43.5 12.4 21.3 213 82 B L H X S+ 0 0 13 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.965 109.7 43.9 -63.2 -53.3 43.8 15.3 18.9 214 83 B Q H X S+ 0 0 100 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.716 108.5 60.1 -69.7 -20.3 40.2 15.0 17.6 215 84 B K H X S+ 0 0 142 -4,-1.1 4,-2.7 -5,-0.2 -1,-0.2 0.952 107.3 44.8 -67.6 -49.6 39.0 14.5 21.2 216 85 B H H X S+ 0 0 8 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.796 110.1 55.5 -63.3 -31.6 40.4 17.9 22.1 217 86 B Q H X S+ 0 0 51 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.858 108.7 48.0 -69.0 -35.4 39.0 19.4 18.9 218 87 B A H X S+ 0 0 17 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.951 112.0 49.4 -66.6 -49.5 35.6 18.1 20.1 219 88 B F H X S+ 0 0 18 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.932 111.0 50.0 -52.5 -50.6 36.2 19.6 23.5 220 89 B E H X S+ 0 0 73 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.847 108.9 52.7 -57.8 -35.6 37.2 22.9 21.9 221 90 B A H X S+ 0 0 2 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.919 108.6 49.0 -70.9 -42.8 34.0 22.9 19.8 222 91 B E H X S+ 0 0 33 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.953 112.7 47.8 -55.4 -52.8 31.7 22.4 22.8 223 92 B V H >< S+ 0 0 1 -4,-2.3 3,-0.5 1,-0.2 4,-0.2 0.877 112.4 48.5 -61.3 -40.1 33.4 25.2 24.7 224 93 B Q H >< S+ 0 0 107 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.888 105.4 59.2 -66.9 -38.9 33.2 27.6 21.7 225 94 B A H 3< S+ 0 0 20 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.759 109.0 45.3 -57.6 -26.1 29.5 26.6 21.3 226 95 B N T X< S+ 0 0 22 -4,-1.0 3,-2.0 -3,-0.5 4,-0.5 0.331 77.3 104.4-102.8 4.9 28.9 27.9 24.9 227 96 B S T <> S+ 0 0 39 -3,-1.4 4,-0.7 1,-0.3 -1,-0.2 0.622 73.0 67.3 -63.8 -10.3 30.8 31.2 24.6 228 97 B G H 3> S+ 0 0 34 -3,-0.3 4,-1.9 -4,-0.2 -1,-0.3 0.697 83.6 73.2 -80.6 -20.0 27.5 33.0 24.4 229 98 B A H <> S+ 0 0 17 -3,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.929 97.9 44.0 -61.3 -49.6 26.5 32.1 27.9 230 99 B I H > S+ 0 0 8 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.859 110.6 56.7 -66.7 -35.8 28.9 34.5 29.6 231 100 B V H X S+ 0 0 88 -4,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.900 107.4 48.5 -60.7 -41.9 27.9 37.2 27.2 232 101 B K H X S+ 0 0 42 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.859 107.7 54.3 -68.2 -37.4 24.3 36.9 28.1 233 102 B L H X S+ 0 0 6 -4,-1.8 4,-3.2 2,-0.2 5,-0.3 0.919 107.7 51.2 -59.9 -47.0 25.0 37.0 31.9 234 103 B D H X S+ 0 0 37 -4,-2.0 4,-3.3 2,-0.2 5,-0.3 0.948 110.2 48.3 -51.6 -56.8 26.8 40.3 31.4 235 104 B E H X S+ 0 0 123 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.936 116.6 42.8 -52.6 -52.0 24.0 41.8 29.5 236 105 B T H X S+ 0 0 40 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.963 119.0 42.4 -59.7 -56.0 21.4 40.7 32.1 237 106 B G H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.898 114.5 49.9 -60.9 -45.3 23.5 41.7 35.1 238 107 B N H X S+ 0 0 84 -4,-3.3 4,-2.3 -5,-0.3 -1,-0.2 0.812 107.0 55.4 -65.7 -31.9 24.7 45.0 33.7 239 108 B L H X S+ 0 0 89 -4,-1.7 4,-0.7 -5,-0.3 -1,-0.2 0.940 110.0 45.1 -67.4 -47.0 21.2 46.1 32.8 240 109 B M H ><>S+ 0 0 0 -4,-1.9 5,-2.2 1,-0.2 3,-1.1 0.920 112.5 53.2 -58.8 -42.2 20.0 45.6 36.4 241 110 B I H ><5S+ 0 0 36 -4,-2.3 3,-1.4 1,-0.3 -2,-0.2 0.914 106.5 51.7 -59.5 -41.1 23.1 47.4 37.5 242 111 B S H 3<5S+ 0 0 91 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.639 108.0 54.1 -70.9 -12.3 22.3 50.3 35.3 243 112 B E T <<5S- 0 0 109 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.427 117.0-110.9-100.3 -0.9 18.9 50.4 36.8 244 113 B G T < 5 - 0 0 59 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.827 46.2-169.6 72.6 34.1 20.1 50.6 40.4 245 114 B H > < - 0 0 6 -5,-2.2 3,-1.7 1,-0.1 -1,-0.1 -0.238 30.7-118.4 -53.9 143.2 18.9 47.1 41.3 246 115 B F T 3 S+ 0 0 134 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.623 112.2 50.1 -62.6 -15.3 19.1 46.4 45.0 247 116 B A T 3> S+ 0 0 6 1,-0.1 4,-2.5 2,-0.1 -1,-0.3 0.061 70.0 125.9-111.9 25.4 21.5 43.5 44.5 248 117 B S H <> S+ 0 0 26 -3,-1.7 4,-3.3 1,-0.2 5,-0.2 0.905 73.4 49.2 -48.0 -51.3 24.0 45.4 42.3 249 118 B E H > S+ 0 0 118 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.885 112.3 47.3 -62.1 -40.4 27.0 44.6 44.5 250 119 B T H > S+ 0 0 71 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.855 113.7 49.3 -66.9 -37.0 26.2 40.9 44.6 251 120 B I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.954 108.1 54.3 -64.7 -51.1 25.7 40.9 40.8 252 121 B R H X S+ 0 0 117 -4,-3.3 4,-1.7 1,-0.2 -2,-0.2 0.901 113.2 40.4 -48.1 -51.6 29.0 42.8 40.3 253 122 B T H X S+ 0 0 66 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.830 111.4 57.3 -73.8 -31.1 31.1 40.2 42.2 254 123 B R H X S+ 0 0 53 -4,-1.7 4,-1.4 -5,-0.2 -1,-0.2 0.890 107.6 49.9 -62.4 -39.2 29.1 37.3 40.8 255 124 B L H X S+ 0 0 12 -4,-2.4 4,-2.5 2,-0.2 3,-0.2 0.930 109.7 46.9 -68.3 -46.0 30.1 38.5 37.3 256 125 B M H X S+ 0 0 132 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.829 110.6 55.2 -68.6 -27.2 33.8 38.9 37.9 257 126 B E H X S+ 0 0 68 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.825 110.6 44.0 -71.7 -33.7 33.9 35.5 39.5 258 127 B L H X S+ 0 0 0 -4,-1.4 4,-2.2 -3,-0.2 -2,-0.2 0.858 111.9 52.5 -78.1 -37.2 32.3 33.8 36.4 259 128 B H H X S+ 0 0 59 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.799 110.0 51.3 -64.2 -28.6 34.6 35.7 34.1 260 129 B R H X S+ 0 0 134 -4,-1.2 4,-1.6 -5,-0.2 -2,-0.2 0.903 111.4 44.2 -75.4 -44.4 37.5 34.5 36.1 261 130 B Q H X S+ 0 0 10 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.838 115.4 51.0 -67.2 -32.5 36.4 30.8 36.0 262 131 B W H X S+ 0 0 19 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.943 109.5 47.3 -71.3 -49.2 35.7 31.3 32.3 263 132 B E H X S+ 0 0 99 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.822 111.2 54.7 -60.1 -32.1 39.1 32.8 31.4 264 133 B L H >X S+ 0 0 55 -4,-1.6 4,-2.6 2,-0.2 3,-0.7 0.959 105.2 51.0 -65.5 -51.0 40.7 30.0 33.4 265 134 B L H 3X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.3 -2,-0.2 0.867 109.1 51.4 -54.2 -41.0 38.9 27.3 31.4 266 135 B L H 3X S+ 0 0 35 -4,-1.9 4,-1.3 2,-0.2 -1,-0.3 0.801 111.0 49.5 -67.3 -29.0 40.1 28.9 28.1 267 136 B E H < S+ 0 0 13 -4,-1.3 3,-0.6 1,-0.2 4,-0.3 0.934 114.1 30.8 -65.7 -51.2 46.1 21.9 23.3 274 143 B I H >X S+ 0 0 116 -4,-2.1 4,-3.5 1,-0.2 3,-1.4 0.841 109.2 69.0 -80.8 -33.3 49.8 22.7 22.6 275 144 B K T 3< S+ 0 0 150 -4,-1.6 -1,-0.2 -5,-0.4 -2,-0.1 -0.046 96.4 54.7 -80.4 35.0 51.2 20.3 25.3 276 145 B L T <4 S+ 0 0 13 -3,-0.6 -1,-0.3 -2,-0.5 -2,-0.2 0.321 115.1 37.6-132.0 -16.0 50.0 17.3 23.3 277 146 B L T <4 0 0 78 -3,-1.4 -2,-0.2 -4,-0.3 -3,-0.1 0.790 360.0 360.0 -88.7 -47.4 51.9 18.4 20.2 278 147 B Q < 0 0 169 -4,-3.5 -1,-0.1 -5,-0.1 -2,-0.1 -0.318 360.0 360.0 52.6 360.0 54.8 19.7 22.3