==== 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 TRANSCRIPTION 02-JUL-05 2A6B . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN SPR0628; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE R6; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 219 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10039.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 80.4 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 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.2 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 1 0 0 3 1 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 2 0 0 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 3 A T 0 0 189 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -44.3 10.9 53.1 4.1 2 4 A Q - 0 0 76 1,-0.1 2,-0.3 15,-0.0 15,-0.0 -0.370 360.0-139.3 -63.1 131.6 12.1 53.1 7.7 3 5 A D - 0 0 137 -2,-0.1 2,-0.3 4,-0.0 4,-0.1 -0.688 20.6-173.5 -91.4 145.8 15.8 53.9 7.9 4 6 A Y - 0 0 29 2,-0.4 142,-0.1 -2,-0.3 141,-0.0 -0.903 39.7-110.8-131.9 162.9 18.1 52.1 10.3 5 7 A A S S+ 0 0 41 -2,-0.3 2,-0.2 140,-0.2 141,-0.0 0.669 106.1 45.2 -69.5 -15.6 21.7 52.5 11.4 6 8 A F S S- 0 0 5 173,-0.1 -2,-0.4 139,-0.1 171,-0.1 -0.712 95.8-104.2-119.8 170.1 22.4 49.2 9.6 7 9 A Q - 0 0 136 -2,-0.2 5,-0.1 1,-0.1 6,-0.1 -0.885 30.7-160.4 -99.5 106.8 21.3 47.8 6.2 8 10 A P >> - 0 0 27 0, 0.0 5,-0.7 0, 0.0 4,-0.6 0.777 16.0-168.5 -65.5 -27.3 18.6 45.3 6.9 9 11 A G H >5 - 0 0 51 3,-0.2 4,-0.6 1,-0.1 5,-0.1 -0.263 46.3 -47.1 64.4-159.4 18.6 43.3 3.7 10 12 A L H >5S+ 0 0 137 3,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.976 130.5 32.7 -80.4 -59.6 15.9 40.8 2.9 11 13 A T H >5S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.942 124.8 41.8 -70.6 -49.1 15.2 38.6 5.9 12 14 A V H X5S+ 0 0 0 -4,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.909 113.3 56.5 -63.2 -39.8 16.0 41.1 8.6 13 15 A G H XX S+ 0 0 93 -4,-2.1 3,-0.9 1,-0.2 4,-0.5 0.930 111.5 51.3 -66.5 -44.8 11.0 41.5 6.5 15 17 A L H >< S+ 0 0 2 -4,-2.4 3,-0.7 1,-0.2 4,-0.3 0.869 104.9 57.7 -60.2 -38.7 11.3 40.8 10.3 16 18 A L H >< S+ 0 0 3 -4,-2.4 3,-1.2 1,-0.2 4,-0.4 0.766 88.8 76.0 -62.7 -26.0 11.5 44.5 11.1 17 19 A K H X< S+ 0 0 124 -3,-0.9 3,-0.7 -4,-0.8 -1,-0.2 0.866 95.9 45.0 -61.5 -36.2 8.2 45.3 9.4 18 20 A S T << S+ 0 0 67 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.565 113.2 49.5 -87.4 -6.4 6.0 43.9 12.2 19 21 A S T <> S+ 0 0 3 -3,-1.2 4,-2.6 -4,-0.3 -1,-0.2 0.242 74.3 114.8-112.1 13.0 7.9 45.5 15.1 20 22 A Q H <> S+ 0 0 76 -3,-0.7 4,-2.7 -4,-0.4 5,-0.3 0.851 74.2 48.4 -55.7 -47.7 8.2 49.1 13.8 21 23 A K H > S+ 0 0 183 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.937 116.2 43.1 -62.7 -45.4 6.1 50.8 16.4 22 24 A D H > S+ 0 0 60 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.883 114.0 52.5 -63.3 -42.6 7.9 49.1 19.4 23 25 A W H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.954 112.3 43.3 -61.4 -50.3 11.3 49.7 17.7 24 26 A Q H X S+ 0 0 45 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.897 112.9 52.9 -65.2 -38.1 10.8 53.4 17.2 25 27 A A H < S+ 0 0 45 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.844 110.8 48.9 -63.1 -36.6 9.3 53.8 20.7 26 28 A A H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 6,-0.3 0.942 110.4 47.1 -70.3 -47.7 12.3 52.1 22.1 27 29 A I H 3< S+ 0 0 9 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.725 118.2 43.8 -72.6 -15.6 15.0 54.2 20.3 28 30 A N T 3< S+ 0 0 62 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.069 87.5 138.6-110.3 22.1 13.2 57.4 21.2 29 31 A H X> - 0 0 18 -3,-1.6 4,-2.2 1,-0.1 3,-0.6 -0.280 68.4-112.9 -67.9 149.8 12.5 56.4 24.8 30 32 A R H 3> S+ 0 0 135 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.834 117.2 61.1 -43.2 -44.0 12.8 58.9 27.6 31 33 A F H 3> S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.937 106.8 44.3 -51.6 -49.4 15.8 56.8 28.9 32 34 A V H <> S+ 0 0 1 -3,-0.6 4,-2.5 -6,-0.3 5,-0.2 0.931 113.9 50.1 -65.2 -46.4 17.7 57.5 25.6 33 35 A K H X S+ 0 0 122 -4,-2.2 4,-1.7 1,-0.2 6,-0.2 0.932 114.5 43.3 -56.2 -49.7 16.8 61.2 25.6 34 36 A E H X>S+ 0 0 36 -4,-2.9 6,-1.5 2,-0.2 5,-1.4 0.833 112.0 53.9 -71.1 -32.3 17.9 61.7 29.2 35 37 A L H ><5S+ 0 0 0 -4,-2.3 3,-0.8 -5,-0.3 -2,-0.2 0.958 110.9 45.5 -64.1 -50.4 21.1 59.7 28.8 36 38 A F H 3<5S+ 0 0 6 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.835 115.1 48.3 -62.5 -33.5 22.2 61.7 25.8 37 39 A A H 3<5S- 0 0 67 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.639 106.0-127.4 -78.4 -15.3 21.3 65.0 27.6 38 40 A G T <<5S+ 0 0 29 -3,-0.8 -3,-0.2 -4,-0.8 -4,-0.1 0.613 81.8 111.6 72.5 14.1 23.2 63.9 30.7 39 41 A T < + 0 0 92 -5,-1.4 -4,-0.2 -6,-0.2 -5,-0.1 0.514 36.1 124.4 -96.7 -8.7 20.0 64.7 32.7 40 42 A I - 0 0 7 -6,-1.5 2,-0.1 -9,-0.1 -9,-0.0 -0.278 66.9-114.7 -57.9 132.2 19.1 61.1 33.7 41 43 A E > - 0 0 129 1,-0.1 4,-2.2 4,-0.0 3,-0.4 -0.461 16.5-126.1 -66.7 141.0 18.8 60.6 37.5 42 44 A N H > S+ 0 0 98 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.870 110.2 56.5 -53.0 -40.9 21.4 58.4 39.1 43 45 A K H > S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.880 108.3 47.4 -62.0 -39.1 18.6 56.3 40.7 44 46 A V H > S+ 0 0 10 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.938 114.7 44.6 -67.4 -47.4 17.1 55.6 37.2 45 47 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.908 113.5 52.0 -63.1 -42.1 20.5 54.7 35.6 46 48 A K H X S+ 0 0 70 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.919 110.3 47.1 -59.4 -47.9 21.4 52.5 38.6 47 49 A D H X S+ 0 0 64 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.924 114.1 47.9 -64.3 -42.3 18.2 50.6 38.5 48 50 A Y H X S+ 0 0 2 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.916 112.6 48.7 -60.3 -46.9 18.5 50.1 34.8 49 51 A L H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.871 107.9 53.8 -67.7 -36.7 22.2 49.0 35.0 50 52 A I H X S+ 0 0 7 -4,-2.5 4,-0.9 2,-0.2 3,-0.2 0.956 115.0 40.4 -60.2 -47.6 21.5 46.5 37.8 51 53 A Q H >X S+ 0 0 10 -4,-1.9 4,-1.4 1,-0.2 3,-0.5 0.906 113.5 55.5 -66.1 -39.0 18.8 44.8 35.7 52 54 A D H 3X S+ 0 0 8 -4,-2.9 4,-3.2 1,-0.2 -1,-0.2 0.804 95.9 64.0 -66.1 -26.4 20.9 45.1 32.6 53 55 A Y H 3X S+ 0 0 44 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.862 103.5 49.8 -71.3 -27.5 23.8 43.3 34.3 54 56 A H H - 0 0 54 1,-0.1 4,-2.4 0, 0.0 3,-0.4 -0.986 69.3-143.1-127.1 133.3 31.4 28.8 9.8 73 75 A L H > S+ 0 0 121 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.905 104.9 57.2 -58.1 -40.7 34.8 29.1 11.5 74 76 A E H > S+ 0 0 162 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.891 107.7 48.0 -58.7 -38.6 35.1 32.7 10.4 75 77 A S H > S+ 0 0 5 -3,-0.4 4,-2.3 2,-0.2 5,-0.2 0.933 108.8 52.9 -66.9 -46.4 31.8 33.4 12.2 76 78 A K H X S+ 0 0 78 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.910 108.7 51.4 -51.4 -46.7 32.9 31.6 15.4 77 79 A L H X S+ 0 0 107 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.878 107.0 52.3 -63.1 -36.2 36.0 33.7 15.4 78 80 A R H X S+ 0 0 41 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.914 110.9 47.4 -69.1 -39.5 34.1 37.0 15.1 79 81 A F H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.910 110.6 52.7 -61.4 -42.3 31.9 35.9 18.1 80 82 A A H X S+ 0 0 48 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.908 108.4 50.8 -60.1 -43.4 35.1 35.0 20.0 81 83 A K H X S+ 0 0 130 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.927 110.4 48.7 -59.4 -46.1 36.5 38.5 19.2 82 84 A Q H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.884 107.4 55.4 -64.6 -38.9 33.3 40.2 20.5 83 85 A L H X S+ 0 0 44 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.904 106.8 50.5 -59.2 -41.0 33.3 38.1 23.7 84 86 A G H X S+ 0 0 43 -4,-1.9 4,-1.6 2,-0.2 5,-0.2 0.920 110.8 49.5 -63.1 -40.0 36.8 39.3 24.4 85 87 A F H X>S+ 0 0 41 -4,-1.9 4,-2.4 1,-0.2 5,-1.0 0.936 110.2 50.1 -62.0 -46.0 35.7 42.9 23.9 86 88 A L H <>S+ 0 0 2 -4,-2.6 5,-3.0 1,-0.2 6,-0.3 0.884 110.1 50.1 -62.1 -39.3 32.7 42.5 26.2 87 89 A E H <5S+ 0 0 136 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.853 121.7 34.0 -67.7 -34.5 34.8 41.0 29.0 88 90 A A H X5S+ 0 0 52 -4,-1.6 4,-1.2 -5,-0.2 -2,-0.2 0.946 132.8 18.6 -84.5 -65.6 37.3 43.8 28.8 89 91 A D H X5S+ 0 0 78 -4,-2.4 4,-1.6 -5,-0.2 -3,-0.2 0.882 127.3 40.6 -84.5 -41.9 35.4 46.9 27.9 90 92 A E H >S+ 0 0 12 -4,-2.8 5,-3.0 -5,-0.3 4,-0.2 0.884 110.9 51.4 -64.2 -37.2 28.5 50.3 40.0 99 101 A K H ><5S+ 0 0 96 -4,-1.9 3,-1.1 -5,-0.2 -2,-0.2 0.940 113.0 45.2 -62.7 -46.0 31.5 51.8 42.0 100 102 A E H 3<5S+ 0 0 120 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.886 115.2 46.6 -63.1 -38.9 30.4 55.3 41.1 101 103 A L T 3<5S- 0 0 18 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.331 114.3-119.2 -88.9 4.8 26.8 54.6 41.8 102 104 A K T < 5 + 0 0 175 -3,-1.1 2,-0.8 -4,-0.2 -3,-0.2 0.839 55.3 158.7 59.4 42.6 27.8 52.9 45.1 103 105 A V < - 0 0 18 -5,-3.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.852 28.1-151.7 -97.9 101.9 26.4 49.5 44.3 104 106 A A > - 0 0 51 -2,-0.8 4,-0.6 1,-0.1 3,-0.5 -0.275 29.9-104.0 -64.1 158.0 28.1 46.9 46.5 105 107 A E H >> S+ 0 0 99 1,-0.3 4,-1.5 2,-0.2 3,-1.2 0.920 125.6 45.7 -50.9 -48.9 28.4 43.3 45.2 106 108 A N H 3> S+ 0 0 95 1,-0.3 4,-1.9 2,-0.3 -1,-0.3 0.753 99.3 67.1 -67.5 -27.1 25.6 42.2 47.5 107 109 A D H 34 S+ 0 0 83 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.547 107.1 45.8 -66.7 -12.4 23.4 45.2 46.5 108 110 A Y H X< S+ 0 0 43 -3,-1.2 3,-0.7 -4,-0.6 -2,-0.3 0.790 109.2 51.8 -89.3 -45.5 23.5 43.3 43.2 109 111 A L H 3< S+ 0 0 105 -4,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.779 111.5 49.7 -55.4 -32.8 22.7 39.8 44.7 110 112 A E T 3< S+ 0 0 143 -4,-1.9 2,-0.4 2,-0.1 -1,-0.2 0.624 82.7 101.0 -93.1 -14.5 19.8 41.1 46.6 111 113 A V S < S- 0 0 55 -3,-0.7 2,-0.1 -5,-0.2 3,-0.0 -0.607 70.7-131.2 -76.5 125.1 18.0 42.9 43.8 112 114 A T - 0 0 116 -2,-0.4 2,-0.4 1,-0.1 -2,-0.1 -0.395 26.5-103.0 -65.4 145.5 15.0 40.9 42.5 113 115 A L - 0 0 53 -2,-0.1 -1,-0.1 1,-0.1 -62,-0.0 -0.631 35.9-122.9 -70.1 129.1 14.7 40.5 38.7 114 116 A H > - 0 0 71 -2,-0.4 4,-2.7 1,-0.1 3,-0.3 -0.415 27.7-108.8 -63.5 148.2 12.0 42.7 37.4 115 117 A P H > S+ 0 0 97 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.849 121.6 51.7 -51.4 -35.3 9.3 40.7 35.5 116 118 A V H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.911 109.2 48.8 -65.6 -43.7 10.6 42.2 32.2 117 119 A T H > S+ 0 0 2 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.935 112.5 48.7 -60.6 -45.9 14.2 41.2 33.0 118 120 A K H X S+ 0 0 111 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.910 111.3 50.0 -60.0 -46.9 13.0 37.7 33.9 119 121 A A H X S+ 0 0 36 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.918 110.4 50.2 -58.2 -42.0 11.0 37.5 30.6 120 122 A F H X S+ 0 0 4 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.939 110.5 49.0 -65.6 -44.8 14.0 38.6 28.6 121 123 A Q H X S+ 0 0 31 -4,-2.5 4,-3.4 1,-0.2 5,-0.3 0.908 108.7 53.1 -58.4 -44.2 16.2 36.0 30.2 122 124 A D H X S+ 0 0 84 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.900 111.5 46.3 -55.8 -45.6 13.7 33.2 29.6 123 125 A L H X S+ 0 0 30 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.897 114.5 47.5 -68.4 -38.9 13.6 34.2 26.0 124 126 A X H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 3,-0.4 0.949 112.2 48.5 -66.3 -47.6 17.4 34.4 25.7 125 127 A Y H X S+ 0 0 86 -4,-3.4 4,-2.6 1,-0.2 -1,-0.2 0.821 106.7 56.9 -66.5 -28.4 17.9 31.0 27.5 126 128 A S H X S+ 0 0 49 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.2 0.844 105.3 51.6 -67.6 -31.5 15.4 29.4 25.2 127 129 A A H X>S+ 0 0 0 -4,-1.3 5,-0.7 -3,-0.4 4,-0.7 0.930 111.0 48.3 -68.4 -44.0 17.4 30.5 22.2 128 130 A V H ><5S+ 0 0 42 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.947 110.7 51.4 -56.2 -47.4 20.5 28.9 23.9 129 131 A A H 3<5S+ 0 0 80 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.809 102.4 59.8 -63.1 -30.5 18.5 25.8 24.5 130 132 A S H 3<5S- 0 0 51 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.705 88.6-150.9 -65.8 -23.6 17.4 25.5 20.9 131 133 A S T <<5 + 0 0 57 -3,-1.4 2,-0.7 -4,-0.7 -3,-0.1 0.734 50.2 139.9 50.0 26.9 21.0 25.3 19.7 132 134 A D >>< - 0 0 43 -5,-0.7 4,-2.0 1,-0.2 3,-0.6 -0.876 49.4-154.0-107.1 110.9 19.7 27.0 16.6 133 135 A Y H 3> S+ 0 0 16 -2,-0.7 4,-2.6 -64,-0.3 5,-0.2 0.836 93.9 55.0 -51.5 -38.5 21.9 29.7 15.2 134 136 A A H 3> S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.883 107.5 48.7 -65.2 -41.5 19.0 31.5 13.6 135 137 A H H <> S+ 0 0 22 -3,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.902 112.5 48.6 -65.9 -39.4 17.1 31.8 16.8 136 138 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 -9,-0.3 -2,-0.2 0.919 110.2 52.3 -61.9 -45.0 20.2 33.1 18.6 137 139 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.844 102.3 58.6 -64.2 -35.6 20.8 35.6 15.8 138 140 A V H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.957 110.2 43.9 -52.9 -49.7 17.2 37.0 16.1 139 141 A X H X S+ 0 0 4 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.891 116.7 45.6 -65.1 -44.2 17.9 37.9 19.7 140 142 A L H X>S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.6 0.898 109.5 53.5 -69.4 -41.9 21.4 39.3 19.0 141 143 A V H X5S+ 0 0 0 -4,-3.0 4,-1.9 3,-0.2 5,-0.4 0.910 114.8 43.3 -57.6 -42.8 20.3 41.4 15.9 142 144 A I H X5S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.3 5,-0.5 0.972 116.6 44.3 -68.1 -52.5 17.6 43.0 18.0 143 145 A A H X5S+ 0 0 4 -4,-2.5 4,-1.2 -5,-0.2 -2,-0.2 0.930 127.3 30.3 -58.7 -48.3 19.6 43.6 21.2 144 146 A E H X5S+ 0 0 11 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.898 121.3 50.0 -81.3 -42.5 22.6 45.0 19.2 145 147 A G H X< S+ 0 0 0 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.891 117.9 55.3 -78.3 -39.0 19.7 54.7 19.5 151 153 A G H 3< S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.777 103.7 56.8 -60.8 -27.0 23.5 54.9 20.2 152 154 A S T 3< S+ 0 0 47 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.1 0.318 78.5 133.4 -87.6 0.4 24.1 56.2 16.7 153 155 A K < - 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0 0 73 -3,-1.3 3,-0.6 1,-0.1 -3,-0.0 -0.403 42.0-151.6 -83.2 142.1 13.7 28.6 6.6 194 196 A E T 3 S+ 0 0 89 1,-0.2 3,-0.4 -2,-0.1 2,-0.2 0.787 93.6 59.2 -72.8 -28.0 10.5 26.7 7.1 195 197 A D T 3> + 0 0 43 1,-0.2 4,-2.2 2,-0.1 -1,-0.2 -0.205 58.7 129.7-101.0 41.8 9.9 28.2 10.6 196 198 A L H <> S+ 0 0 64 -3,-0.6 4,-2.7 -2,-0.2 -1,-0.2 0.876 72.5 58.7 -65.1 -34.0 9.9 31.9 9.7 197 199 A T H > S+ 0 0 98 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.927 106.7 47.1 -56.5 -48.1 6.7 32.3 11.7 198 200 A E H > S+ 0 0 60 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.893 112.3 49.9 -61.7 -41.0 8.5 31.0 14.8 199 201 A L H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.905 110.9 49.7 -62.3 -41.7 11.4 33.4 14.2 200 202 A Q H X S+ 0 0 36 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.865 108.3 53.2 -64.3 -39.1 9.0 36.3 13.7 201 203 A Q H X S+ 0 0 125 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.907 112.3 44.3 -64.1 -42.4 7.2 35.5 17.0 202 204 A R H X S+ 0 0 29 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.927 114.3 51.0 -60.4 -49.5 10.5 35.5 18.9 203 205 A W H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.957 111.0 46.1 -54.8 -55.9 11.5 38.7 17.1 204 206 A N H X S+ 0 0 52 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.890 113.4 49.3 -61.1 -39.7 8.4 40.6 17.9 205 207 A Q H X S+ 0 0 100 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.900 110.6 50.5 -66.9 -38.2 8.4 39.5 21.5 206 208 A A H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.926 109.6 49.5 -69.4 -40.2 12.0 40.5 22.0 207 209 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.931 110.5 51.9 -64.2 -40.8 11.5 44.0 20.5 208 210 A A H X S+ 0 0 28 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.901 110.1 49.0 -59.1 -40.7 8.5 44.4 22.8 209 211 A L H X S+ 0 0 18 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.864 105.9 56.2 -70.4 -35.5 10.7 43.5 25.8 210 212 A E H X S+ 0 0 4 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.924 110.1 46.2 -59.3 -46.7 13.4 45.9 24.7 211 213 A L H X S+ 0 0 34 -4,-2.1 4,-0.6 1,-0.2 3,-0.4 0.945 113.6 47.9 -59.8 -48.5 10.9 48.7 24.8 212 214 A A H >X S+ 0 0 34 -4,-2.2 3,-1.0 1,-0.2 4,-0.5 0.840 103.1 63.7 -62.1 -33.8 9.5 47.6 28.2 213 215 A F H >< S+ 0 0 1 -4,-2.4 3,-1.6 1,-0.3 4,-0.4 0.883 93.6 60.9 -61.0 -39.0 13.0 47.3 29.6 214 216 A F H 3< S+ 0 0 1 -4,-1.3 3,-0.3 -3,-0.4 -1,-0.3 0.751 99.1 57.5 -62.6 -24.1 13.6 51.0 29.2 215 217 A D H XX S+ 0 0 83 -3,-1.0 3,-1.6 -4,-0.6 4,-0.6 0.711 82.3 89.9 -77.3 -14.9 10.6 51.7 31.6 216 218 A I G X< S+ 0 0 16 -3,-1.6 3,-1.1 -4,-0.5 -1,-0.2 0.859 87.1 46.5 -48.8 -51.1 12.3 49.6 34.4 217 219 A G G 34 S+ 0 0 10 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.673 111.2 53.5 -68.6 -18.9 14.2 52.5 36.0 218 220 A Y G <4 0 0 52 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.443 360.0 360.0 -94.0 -2.2 11.1 54.8 35.9 219 221 A D << 0 0 108 -3,-1.1 -3,-0.0 -4,-0.6 -4,-0.0 -0.308 360.0 360.0 -64.0 360.0 8.8 52.3 37.7