==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 19-JUN-09 3HX3 . COMPND 2 MOLECULE: RETINALDEHYDE-BINDING PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.STOCKER,X.HE,J.LOBSIGER . 250 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12727.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 79.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 1 0.4 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 . 15 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 17.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 42.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.4 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 3 0 2 2 1 0 1 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 0 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 57 A E > 0 0 184 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 145.5 -15.2 39.6 24.8 2 58 A T H > + 0 0 90 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.798 360.0 56.6 -62.0 -31.2 -12.2 38.7 22.8 3 59 A R H > S+ 0 0 89 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.956 109.4 42.9 -66.7 -51.0 -13.2 35.0 22.6 4 60 A E H > S+ 0 0 125 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.878 115.6 51.0 -62.8 -37.8 -16.6 35.5 21.1 5 61 A E H X S+ 0 0 98 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.905 109.2 50.4 -65.0 -41.4 -15.1 38.1 18.7 6 62 A A H X S+ 0 0 6 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.890 110.4 49.1 -66.1 -41.0 -12.4 35.7 17.6 7 63 A V H X S+ 0 0 3 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.916 111.5 49.5 -63.1 -44.7 -14.8 32.9 16.8 8 64 A R H X S+ 0 0 110 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.901 111.2 49.6 -61.2 -42.3 -17.1 35.3 14.8 9 65 A E H X S+ 0 0 72 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.905 110.6 49.6 -65.4 -41.4 -14.1 36.5 12.9 10 66 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.937 111.8 49.0 -61.9 -45.3 -12.9 33.0 12.1 11 67 A Q H X S+ 0 0 77 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.908 110.1 50.8 -59.6 -44.0 -16.5 32.1 11.0 12 68 A E H X S+ 0 0 101 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.896 110.7 49.7 -62.1 -38.8 -16.6 35.1 8.7 13 69 A X H X S+ 0 0 61 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.894 106.1 55.5 -67.2 -40.9 -13.3 34.2 7.2 14 70 A V H X S+ 0 0 2 -4,-2.5 4,-1.5 1,-0.2 15,-0.2 0.936 115.0 40.2 -54.4 -45.7 -14.5 30.6 6.6 15 71 A Q H X S+ 0 0 119 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.913 113.8 52.2 -70.3 -44.1 -17.4 32.1 4.7 16 72 A A H < S+ 0 0 62 -4,-3.0 4,-0.5 1,-0.2 3,-0.2 0.915 111.9 46.3 -60.2 -44.0 -15.4 34.8 2.9 17 73 A Q H ><>S+ 0 0 85 -4,-2.8 3,-1.1 1,-0.2 5,-0.5 0.869 108.5 55.1 -68.5 -36.1 -12.9 32.3 1.6 18 74 A A H ><5S+ 0 0 16 -4,-1.5 3,-1.7 -5,-0.3 -1,-0.2 0.802 94.0 71.6 -66.4 -27.3 -15.5 29.9 0.5 19 75 A A T 3<5S+ 0 0 86 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.776 87.9 63.0 -59.7 -27.4 -17.0 32.8 -1.6 20 76 A S T < 5S- 0 0 86 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.747 106.8-129.1 -68.0 -24.3 -14.0 32.5 -3.9 21 77 A G T < 5 + 0 0 49 -3,-1.7 -3,-0.1 -4,-0.4 -2,-0.1 0.427 49.1 160.8 86.7 -0.2 -15.2 29.0 -4.8 22 78 A E >< - 0 0 80 -5,-0.5 4,-2.6 1,-0.1 -1,-0.3 -0.325 46.9-121.1 -56.3 133.6 -11.7 27.5 -4.1 23 79 A E H > S+ 0 0 161 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.854 106.1 38.0 -51.2 -52.0 -12.2 23.8 -3.5 24 80 A L H > S+ 0 0 24 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.916 114.7 54.9 -70.6 -39.6 -10.8 23.4 -0.0 25 81 A A H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -7,-0.3 0.903 109.8 47.4 -58.0 -43.1 -12.3 26.7 1.2 26 82 A V H X S+ 0 0 59 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.895 111.5 51.2 -63.6 -40.9 -15.7 25.5 0.0 27 83 A A H X S+ 0 0 12 -4,-1.9 4,-2.7 -5,-0.3 -2,-0.2 0.886 106.7 53.7 -66.3 -38.7 -15.2 22.2 1.7 28 84 A V H X S+ 0 0 0 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.944 108.2 49.5 -59.9 -47.4 -14.2 23.8 5.0 29 85 A A H >< S+ 0 0 12 -4,-1.8 3,-0.6 -15,-0.2 4,-0.4 0.938 115.0 44.5 -58.5 -46.9 -17.4 25.9 5.1 30 86 A E H >< S+ 0 0 118 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.900 113.8 50.4 -62.2 -41.5 -19.5 22.8 4.4 31 87 A R H 3< S+ 0 0 112 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.538 113.6 41.1 -82.7 -8.9 -17.6 20.7 6.9 32 88 A V T X< S+ 0 0 9 -4,-1.2 3,-1.2 -3,-0.6 -1,-0.2 0.287 78.7 107.6-118.6 10.3 -17.8 23.0 9.9 33 89 A Q T < S+ 0 0 143 -3,-0.8 -2,-0.1 -4,-0.4 -1,-0.1 0.730 83.9 44.0 -65.1 -22.8 -21.3 24.3 9.6 34 90 A E T 3 S+ 0 0 181 -4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.530 89.4 115.3 -95.7 -7.8 -22.6 22.2 12.6 35 91 A K < - 0 0 79 -3,-1.2 2,-0.1 1,-0.1 -3,-0.1 -0.310 58.6-133.4 -71.5 145.0 -19.6 23.0 14.9 36 92 A D >> - 0 0 110 1,-0.1 4,-1.3 -2,-0.0 3,-0.8 -0.336 32.3 -95.6 -89.1 174.9 -20.1 25.0 18.1 37 93 A S H 3> S+ 0 0 67 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.844 121.5 64.1 -60.6 -34.1 -18.0 27.9 19.3 38 94 A G H 3> S+ 0 0 34 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.881 99.8 53.2 -56.8 -40.0 -15.9 25.6 21.4 39 95 A F H X> S+ 0 0 2 -3,-0.8 4,-0.8 1,-0.2 3,-0.6 0.932 109.8 46.6 -62.1 -47.0 -14.7 23.8 18.3 40 96 A F H >X S+ 0 0 6 -4,-1.3 4,-2.2 1,-0.2 3,-0.6 0.889 105.2 61.1 -64.9 -37.3 -13.5 27.1 16.7 41 97 A L H 3X S+ 0 0 19 -4,-2.5 4,-3.3 1,-0.2 5,-0.4 0.799 92.8 66.1 -60.0 -30.9 -11.8 28.1 19.9 42 98 A R H <>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 3,-0.8 0.942 114.0 42.2 -61.5 -47.2 -8.0 30.1 17.7 45 101 A R H ><5S+ 0 0 44 -4,-3.3 3,-1.9 1,-0.2 -1,-0.2 0.891 107.8 59.9 -69.8 -37.8 -6.3 29.3 21.1 46 102 A A H 3<5S+ 0 0 12 -4,-2.0 -1,-0.2 -5,-0.4 -2,-0.2 0.709 112.1 41.9 -61.2 -18.7 -3.8 27.0 19.5 47 103 A R T X<5S- 0 0 81 -4,-0.8 3,-1.8 -3,-0.8 -1,-0.3 0.033 118.2-107.9-118.4 27.4 -2.7 30.0 17.4 48 104 A K T < 5S- 0 0 177 -3,-1.9 -3,-0.2 1,-0.3 3,-0.1 0.870 76.1 -55.0 50.5 46.1 -2.8 32.7 20.1 49 105 A F T 3 - 0 0 59 -3,-1.8 4,-2.4 -6,-0.5 -1,-0.2 -0.772 34.0-164.9 -84.0 103.7 -4.4 34.8 15.3 51 107 A V H > S+ 0 0 15 -2,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.887 83.0 51.2 -61.0 -43.9 -7.5 34.3 13.2 52 108 A G H > S+ 0 0 36 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.908 113.1 45.9 -61.3 -42.5 -5.7 33.8 9.8 53 109 A R H > S+ 0 0 155 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.875 110.1 53.9 -68.9 -36.8 -3.4 31.2 11.3 54 110 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.900 107.6 51.7 -62.8 -38.4 -6.3 29.5 13.0 55 111 A Y H X S+ 0 0 12 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.876 105.8 54.3 -67.0 -37.3 -8.0 29.2 9.6 56 112 A E H X S+ 0 0 120 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.909 108.2 49.6 -62.1 -42.5 -4.9 27.7 8.1 57 113 A L H X S+ 0 0 18 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.910 109.1 53.0 -58.6 -43.5 -4.9 25.0 10.8 58 114 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.869 103.5 56.9 -62.5 -38.4 -8.6 24.4 10.0 59 115 A R H X S+ 0 0 43 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.919 108.5 46.2 -58.7 -43.2 -7.8 23.9 6.3 60 116 A G H X S+ 0 0 17 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.888 110.7 53.4 -68.2 -37.8 -5.4 21.1 7.1 61 117 A Y H X S+ 0 0 12 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.922 113.8 41.9 -61.7 -45.4 -7.9 19.5 9.5 62 118 A V H X S+ 0 0 1 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.891 109.4 58.7 -71.2 -38.2 -10.6 19.5 6.9 63 119 A N H X S+ 0 0 43 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.895 101.7 55.1 -58.5 -40.3 -8.2 18.4 4.2 64 120 A F H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.898 107.7 49.8 -59.2 -39.7 -7.4 15.3 6.2 65 121 A R H < S+ 0 0 22 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.809 110.4 49.8 -72.1 -28.6 -11.1 14.4 6.3 66 122 A L H < S+ 0 0 58 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.860 113.9 45.1 -72.3 -37.7 -11.4 14.9 2.5 67 123 A Q H < S+ 0 0 100 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.758 122.9 33.9 -80.2 -25.5 -8.4 12.7 1.7 68 124 A Y >< + 0 0 28 -4,-1.7 3,-2.0 -5,-0.2 4,-0.3 -0.423 64.6 151.6-129.3 57.6 -9.3 9.9 4.1 69 125 A P G >> + 0 0 44 0, 0.0 4,-3.1 0, 0.0 3,-1.7 0.761 66.8 73.1 -65.2 -23.0 -13.2 9.8 4.1 70 126 A E G 34 S+ 0 0 76 1,-0.3 4,-0.3 2,-0.2 -5,-0.1 0.739 92.6 56.9 -62.9 -21.3 -13.0 6.0 4.9 71 127 A L G <4 S+ 0 0 1 -3,-2.0 -1,-0.3 1,-0.1 -6,-0.1 0.656 122.7 22.8 -79.1 -15.4 -12.0 7.1 8.5 72 128 A F T X4 S+ 0 0 49 -3,-1.7 3,-1.0 -4,-0.3 -2,-0.2 0.617 98.8 86.1-126.2 -22.2 -15.1 9.2 9.0 73 129 A D T 3< S+ 0 0 127 -4,-3.1 -3,-0.1 1,-0.3 -2,-0.1 0.922 109.0 13.0 -54.0 -59.2 -17.8 8.0 6.6 74 130 A S T 3 S+ 0 0 101 -4,-0.3 -1,-0.3 -5,-0.2 2,-0.1 -0.189 83.9 167.9-116.7 40.1 -19.4 5.2 8.7 75 131 A L < - 0 0 65 -3,-1.0 3,-0.1 1,-0.1 -3,-0.1 -0.344 15.6-165.1 -60.4 125.4 -17.8 5.9 12.1 76 132 A S >> - 0 0 49 1,-0.1 4,-2.4 -2,-0.1 3,-0.5 -0.959 16.0-153.1-117.1 113.7 -19.6 3.9 14.8 77 133 A P H 3> S+ 0 0 75 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.828 98.1 57.2 -50.7 -35.8 -18.9 5.0 18.4 78 134 A E H 3> S+ 0 0 149 2,-0.2 4,-1.5 1,-0.2 -3,-0.0 0.911 107.8 44.8 -63.3 -45.5 -19.6 1.4 19.5 79 135 A A H <> S+ 0 0 48 -3,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.897 111.4 53.4 -66.4 -41.3 -16.9 -0.0 17.2 80 136 A V H X S+ 0 0 5 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.889 104.2 57.4 -60.3 -38.6 -14.4 2.7 18.3 81 137 A R H X S+ 0 0 74 -4,-2.1 4,-2.9 -5,-0.2 -1,-0.2 0.927 104.5 51.0 -56.9 -45.8 -15.1 1.7 21.9 82 138 A C H X S+ 0 0 75 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.900 108.7 50.6 -60.9 -42.7 -14.0 -1.9 21.2 83 139 A T H <>S+ 0 0 9 -4,-1.8 5,-2.0 2,-0.2 -1,-0.2 0.913 113.1 46.4 -60.6 -43.1 -10.8 -0.8 19.6 84 140 A I H ><5S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.899 108.6 54.5 -68.1 -40.5 -10.0 1.4 22.6 85 141 A E H 3<5S+ 0 0 70 -4,-2.9 157,-0.6 1,-0.3 158,-0.4 0.869 102.6 58.5 -59.4 -35.0 -10.9 -1.3 25.1 86 142 A A T 3<5S- 0 0 50 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.554 125.2-107.6 -71.0 -8.7 -8.4 -3.5 23.2 87 143 A G T < 5 + 0 0 13 -3,-1.7 19,-0.3 2,-0.2 -3,-0.2 0.585 62.5 158.9 97.0 13.8 -5.8 -0.8 24.1 88 144 A Y S - 0 0 11 4,-1.9 3,-2.0 -2,-0.1 -1,-0.1 -0.133 43.3 -82.6 -83.0-172.6 3.8 14.5 31.4 97 153 A K T 3 S+ 0 0 141 126,-0.6 127,-0.1 1,-0.3 -1,-0.1 0.676 131.2 56.4 -70.2 -15.5 6.2 17.2 32.6 98 154 A Y T 3 S- 0 0 106 125,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.363 119.7-109.7 -91.1 1.1 5.3 19.3 29.6 99 155 A G S < S+ 0 0 16 -3,-2.0 2,-0.2 1,-0.3 41,-0.2 0.622 72.0 146.2 78.2 14.6 1.6 19.2 30.5 100 156 A R - 0 0 19 40,-0.1 -4,-1.9 1,-0.1 2,-0.3 -0.519 55.6-116.6 -84.8 148.0 0.9 16.9 27.5 101 157 A V E - b 0 142A 12 40,-2.1 42,-2.3 -6,-0.2 2,-0.6 -0.658 33.4-139.1 -72.7 139.5 -1.6 14.2 27.3 102 158 A V E - b 0 143A 0 -8,-0.4 -10,-2.8 -2,-0.3 2,-0.3 -0.917 17.0-166.1-109.5 117.6 0.4 10.9 26.7 103 159 A X E -Ab 91 144A 0 40,-2.9 42,-2.5 -2,-0.6 2,-0.3 -0.693 9.7-151.1-101.2 157.6 -1.0 8.4 24.2 104 160 A L E +Ab 90 145A 1 -14,-2.6 -14,-3.1 -2,-0.3 2,-0.3 -0.949 19.8 178.9-134.3 144.6 0.2 4.8 23.9 105 161 A F E - b 0 146A 13 40,-2.2 42,-2.6 -2,-0.3 2,-0.6 -0.917 4.7-172.5-146.0 121.1 0.7 2.0 21.5 106 162 A N E - b 0 147A 24 -19,-0.3 42,-0.1 -2,-0.3 40,-0.1 -0.946 5.3-167.5-110.8 111.7 2.1 -1.4 22.3 107 163 A I > + 0 0 4 40,-1.9 3,-2.7 -2,-0.6 45,-0.2 0.645 45.9 121.8 -78.5 -13.4 2.6 -3.3 19.1 108 164 A E T 3 S- 0 0 97 39,-0.4 3,-0.1 1,-0.3 43,-0.1 -0.253 92.1 -3.6 -53.5 122.5 3.3 -6.7 20.7 109 165 A N T 3 S+ 0 0 125 41,-0.5 2,-0.4 1,-0.3 -1,-0.3 0.657 87.8 157.5 65.7 12.8 0.6 -9.2 19.5 110 166 A W < - 0 0 17 -3,-2.7 2,-0.7 40,-0.1 -1,-0.3 -0.611 28.8-156.8 -63.5 124.5 -1.2 -6.5 17.5 111 167 A Q >> - 0 0 87 -2,-0.4 4,-2.6 1,-0.1 3,-1.5 -0.914 8.2-164.7-111.4 106.2 -3.1 -8.5 14.9 112 168 A S T 34 S+ 0 0 43 -2,-0.7 5,-0.2 1,-0.3 -1,-0.1 0.700 87.6 57.7 -67.1 -22.6 -3.8 -6.3 11.9 113 169 A Q T 34 S+ 0 0 128 1,-0.1 -1,-0.3 3,-0.1 3,-0.2 0.694 113.5 40.0 -79.4 -19.2 -6.4 -8.7 10.5 114 170 A E T <4 S+ 0 0 134 -3,-1.5 2,-0.4 1,-0.3 -2,-0.2 0.827 132.1 21.2 -94.8 -42.3 -8.4 -8.4 13.7 115 171 A I S < S- 0 0 30 -4,-2.6 -1,-0.3 -29,-0.0 -2,-0.0 -0.948 88.7-143.0-128.9 110.5 -7.9 -4.7 14.4 116 172 A T > - 0 0 56 -2,-0.4 4,-1.9 -3,-0.2 5,-0.2 -0.240 21.0-116.9 -76.3 157.9 -7.0 -2.8 11.3 117 173 A F H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.910 119.0 54.1 -55.2 -43.3 -4.7 0.2 11.0 118 174 A D H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.904 105.6 52.0 -58.0 -43.1 -7.7 2.2 9.9 119 175 A E H > S+ 0 0 64 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.867 109.0 50.9 -63.3 -34.9 -9.6 1.2 13.0 120 176 A I H X S+ 0 0 7 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.910 110.3 48.1 -69.1 -41.7 -6.7 2.3 15.1 121 177 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.857 108.0 55.8 -66.8 -33.6 -6.5 5.7 13.4 122 178 A Q H X S+ 0 0 33 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.909 108.2 49.1 -60.7 -42.0 -10.3 6.1 13.9 123 179 A A H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.919 108.9 51.9 -64.5 -46.6 -9.7 5.5 17.6 124 180 A Y H X S+ 0 0 2 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.934 112.4 46.1 -51.1 -49.5 -6.9 8.2 17.7 125 181 A C H X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.901 112.0 50.7 -65.4 -39.8 -9.2 10.7 16.0 126 182 A F H X S+ 0 0 28 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.925 114.3 44.0 -63.8 -44.9 -12.1 9.9 18.3 127 183 A I H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 3,-0.3 0.929 112.3 51.3 -64.8 -47.5 -9.9 10.3 21.5 128 184 A L H X S+ 0 0 1 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.884 104.9 57.5 -61.8 -36.9 -8.2 13.5 20.3 129 185 A E H < S+ 0 0 42 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.899 113.4 39.5 -58.2 -42.1 -11.6 15.0 19.5 130 186 A K H >< S+ 0 0 78 -4,-1.3 3,-1.6 -3,-0.3 4,-0.3 0.908 114.0 53.3 -72.7 -44.3 -12.6 14.5 23.1 131 187 A L H >< S+ 0 0 25 -4,-3.1 3,-1.6 1,-0.3 6,-0.2 0.840 100.6 62.0 -60.9 -33.8 -9.2 15.4 24.6 132 188 A L T 3< S+ 0 0 3 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.499 82.2 78.6 -78.4 -1.4 -9.2 18.7 22.7 133 189 A E T < S+ 0 0 123 -3,-1.6 2,-0.4 -5,-0.1 -1,-0.3 0.705 79.2 89.2 -68.2 -20.5 -12.3 19.9 24.6 134 190 A N S <> S- 0 0 68 -3,-1.6 4,-1.7 -4,-0.3 -3,-0.0 -0.660 74.3-147.4 -85.6 128.9 -9.8 20.6 27.4 135 191 A E H > S+ 0 0 81 -2,-0.4 4,-0.5 1,-0.2 -1,-0.1 0.828 96.0 51.8 -71.6 -31.7 -8.3 24.1 27.3 136 192 A E H >> S+ 0 0 120 1,-0.2 4,-3.1 2,-0.2 3,-1.1 0.915 110.3 50.0 -67.0 -42.8 -4.9 23.1 28.7 137 193 A T H 3> S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.846 98.0 67.7 -63.4 -33.7 -4.5 20.3 26.1 138 194 A Q H 3< S+ 0 0 7 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.770 116.6 27.4 -56.3 -24.0 -5.5 22.8 23.3 139 195 A I H << S+ 0 0 76 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.829 125.9 41.8-102.9 -52.5 -2.1 24.4 24.1 140 196 A N H < S- 0 0 46 -4,-3.1 -3,-0.2 -41,-0.2 -2,-0.2 0.827 89.0-170.1 -70.6 -32.7 0.1 21.7 25.5 141 197 A G < - 0 0 0 -4,-2.2 -40,-2.1 -5,-0.3 2,-0.3 -0.370 20.1 -75.9 77.3-154.0 -0.9 19.1 23.0 142 198 A F E -bc 101 179A 1 36,-2.8 38,-2.9 -42,-0.3 39,-0.6 -0.915 26.5-150.2-142.3 162.9 -0.1 15.4 23.2 143 199 A C E -bc 102 181A 0 -42,-2.3 -40,-2.9 -2,-0.3 2,-0.4 -0.869 14.6-134.7-128.2 169.3 2.7 12.9 22.6 144 200 A I E -bc 103 182A 0 37,-2.1 39,-2.8 -2,-0.3 2,-0.5 -0.993 6.3-158.2-127.1 134.5 2.8 9.3 21.6 145 201 A I E -bc 104 183A 0 -42,-2.5 -40,-2.2 -2,-0.4 2,-0.6 -0.963 11.0-166.3-110.5 121.2 4.8 6.5 23.1 146 202 A E E -bc 105 184A 7 37,-3.3 39,-2.6 -2,-0.5 2,-0.9 -0.925 6.9-159.3-111.7 111.6 5.4 3.5 20.8 147 203 A N E +bc 106 185A 11 -42,-2.6 -40,-1.9 -2,-0.6 -39,-0.4 -0.797 16.7 171.2 -90.4 109.3 6.7 0.3 22.4 148 204 A F > + 0 0 15 37,-2.7 3,-1.9 -2,-0.9 38,-0.1 0.129 40.4 115.8-105.9 19.2 8.1 -1.7 19.5 149 205 A K T 3 S+ 0 0 134 1,-0.3 -1,-0.2 36,-0.2 37,-0.1 0.910 85.3 41.1 -50.0 -43.7 9.7 -4.4 21.7 150 206 A G T 3 S+ 0 0 17 -3,-0.3 2,-0.7 2,-0.1 -41,-0.5 0.145 78.9 135.9 -96.8 20.3 7.4 -6.9 20.0 151 207 A F < - 0 0 3 -3,-1.9 2,-0.2 35,-0.2 -43,-0.1 -0.583 41.0-159.5 -69.0 109.5 7.6 -5.6 16.5 152 208 A T > - 0 0 61 -2,-0.7 4,-2.4 -45,-0.2 5,-0.2 -0.487 29.1-117.5 -91.3 161.6 8.0 -8.8 14.4 153 209 A X H > S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.837 117.6 55.6 -63.4 -30.6 9.4 -9.1 10.8 154 210 A Q H > S+ 0 0 163 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.925 107.8 46.5 -68.4 -45.6 5.9 -10.3 9.8 155 211 A Q H >> S+ 0 0 17 1,-0.2 4,-1.1 2,-0.2 3,-0.5 0.941 113.2 51.2 -56.7 -48.2 4.2 -7.2 11.2 156 212 A A H 3< S+ 0 0 22 -4,-2.4 3,-0.4 1,-0.3 -2,-0.2 0.869 109.6 48.4 -59.3 -41.2 6.8 -5.1 9.5 157 213 A A H 3< S+ 0 0 88 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.750 109.7 54.5 -72.6 -22.6 6.3 -6.8 6.1 158 214 A S H << S+ 0 0 56 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.680 79.4 110.5 -85.9 -19.6 2.6 -6.4 6.4 159 215 A L < - 0 0 32 -4,-1.1 2,-0.4 -3,-0.4 3,-0.0 -0.379 62.8-140.6 -61.9 126.0 2.6 -2.6 7.0 160 216 A R >> - 0 0 162 -2,-0.1 4,-2.1 1,-0.1 3,-0.7 -0.742 7.8-138.2 -89.6 134.4 1.2 -0.8 4.0 161 217 A T H 3> S+ 0 0 66 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.881 105.2 59.2 -57.4 -36.9 2.8 2.5 2.9 162 218 A S H 3> S+ 0 0 55 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.848 106.4 47.6 -62.6 -32.3 -0.6 4.0 2.4 163 219 A D H <> S+ 0 0 28 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.903 111.3 49.5 -73.5 -41.6 -1.5 3.3 6.0 164 220 A L H X S+ 0 0 26 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.913 110.9 50.8 -62.0 -40.1 1.8 4.8 7.3 165 221 A R H X S+ 0 0 106 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.852 105.6 56.7 -65.2 -35.4 1.2 7.9 5.1 166 222 A K H X S+ 0 0 16 -4,-1.4 4,-1.9 -5,-0.2 -1,-0.2 0.913 108.6 46.4 -61.8 -43.8 -2.3 8.2 6.6 167 223 A X H X S+ 0 0 29 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.922 110.4 52.8 -64.8 -43.3 -0.8 8.3 10.1 168 224 A V H X S+ 0 0 9 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.943 111.4 47.2 -52.5 -48.9 1.8 10.9 8.9 169 225 A D H X>S+ 0 0 17 -4,-2.6 4,-2.5 1,-0.2 5,-1.8 0.816 105.3 58.6 -69.0 -30.4 -1.0 13.0 7.6 170 226 A X H <>S+ 0 0 0 -4,-1.9 5,-2.2 3,-0.2 -1,-0.2 0.931 116.6 34.9 -61.3 -41.7 -3.0 12.6 10.8 171 227 A L H <5S+ 0 0 11 -4,-2.0 8,-0.3 3,-0.2 -2,-0.2 0.835 126.1 38.8 -80.9 -33.8 -0.1 14.2 12.7 172 228 A Q H <5S+ 0 0 22 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.763 132.6 18.5 -93.0 -29.2 1.1 16.6 10.0 173 229 A D T <5S+ 0 0 38 -4,-2.5 -3,-0.2 -5,-0.3 -110,-0.1 0.799 128.9 37.9-107.4 -45.7 -2.3 17.8 8.6 174 230 A S T > - 0 0 29 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.206 30.6 -94.3 -77.9 171.8 14.4 -4.0 16.4 189 245 A W T > S+ 0 0 191 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.832 121.2 59.8 -57.4 -35.3 17.0 -3.6 13.7 190 246 A Y T >> S+ 0 0 38 1,-0.3 4,-1.1 2,-0.2 3,-0.7 0.463 77.1 89.9 -78.8 0.5 14.6 -3.8 10.9 191 247 A F H <> S+ 0 0 12 -3,-2.1 4,-3.0 1,-0.2 -1,-0.3 0.815 75.3 72.5 -58.3 -28.4 12.7 -0.7 12.1 192 248 A T H <> S+ 0 0 84 -3,-1.3 4,-2.6 -4,-0.3 -1,-0.2 0.896 94.2 49.3 -56.6 -42.8 15.2 1.2 9.9 193 249 A T H <> S+ 0 0 92 -3,-0.7 4,-1.5 2,-0.2 -1,-0.2 0.911 111.8 48.7 -63.5 -44.0 13.4 0.0 6.8 194 250 A T H X S+ 0 0 17 -4,-1.1 4,-1.2 2,-0.2 3,-0.2 0.930 112.3 48.6 -60.5 -47.6 10.0 1.1 8.1 195 251 A Y H >X S+ 0 0 74 -4,-3.0 4,-2.1 1,-0.2 3,-0.6 0.927 108.1 54.1 -58.4 -46.5 11.4 4.5 9.1 196 252 A N H 3< S+ 0 0 86 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.813 103.1 57.8 -60.0 -32.5 13.0 5.0 5.7 197 253 A V H 3< S+ 0 0 54 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.878 114.1 37.5 -63.3 -38.0 9.6 4.3 4.0 198 254 A V H XX S+ 0 0 23 -4,-1.2 3,-2.1 -3,-0.6 4,-0.5 0.759 94.9 85.8 -85.9 -27.7 8.0 7.2 6.0 199 255 A K G >< S+ 0 0 113 -4,-2.1 3,-1.4 1,-0.3 -1,-0.2 0.811 82.5 57.4 -48.7 -42.1 10.9 9.6 5.9 200 256 A P G 34 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.746 106.0 51.6 -64.8 -19.7 10.2 11.3 2.5 201 257 A F G <4 S+ 0 0 68 -3,-2.1 2,-0.6 -4,-0.1 -2,-0.2 0.503 89.9 95.9 -95.3 -5.0 6.7 12.3 3.7 202 258 A L << - 0 0 21 -3,-1.4 2,-0.1 -4,-0.5 -33,-0.0 -0.767 66.9-143.7 -91.6 118.7 7.9 13.9 6.9 203 259 A K >> - 0 0 101 -2,-0.6 4,-2.6 1,-0.1 3,-0.5 -0.365 32.9-103.0 -70.7 160.9 8.4 17.7 6.8 204 260 A S H 3> S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.863 119.6 56.6 -57.9 -40.7 11.3 19.0 8.8 205 261 A K H 34 S+ 0 0 128 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.881 112.4 41.7 -58.9 -40.7 9.2 20.2 11.7 206 262 A L H X4 S+ 0 0 13 -3,-0.5 3,-2.0 1,-0.2 -2,-0.2 0.895 109.3 57.9 -74.9 -40.7 7.7 16.8 12.2 207 263 A L H >< S+ 0 0 49 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.880 99.8 59.2 -54.6 -39.2 11.0 14.9 11.7 208 264 A E T 3< S+ 0 0 138 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.579 100.8 57.9 -66.6 -9.8 12.4 16.9 14.7 209 265 A R T < S+ 0 0 91 -3,-2.0 -27,-2.5 -5,-0.1 2,-0.5 0.285 84.8 96.5-103.4 7.2 9.6 15.5 16.8 210 266 A V E < -d 182 0A 30 -3,-1.7 2,-0.4 -29,-0.2 -27,-0.2 -0.880 50.6-176.9-104.1 125.4 10.5 11.8 16.2 211 267 A F E -d 183 0A 88 -29,-2.7 -27,-3.0 -2,-0.5 2,-0.5 -0.980 10.5-166.1-125.9 134.7 12.7 10.1 18.8 212 268 A V E +d 184 0A 67 -2,-0.4 -27,-0.2 -29,-0.2 -29,-0.1 -0.978 12.6 169.2-123.5 121.0 14.1 6.5 18.7 213 269 A H E > - 0 0 39 -29,-3.1 3,-1.3 -2,-0.5 -28,-0.2 0.686 12.3-170.8-108.8 -24.2 15.5 5.1 21.9 214 270 A G E 3 -d 185 0A 12 -30,-0.5 -28,-2.7 1,-0.2 -1,-0.2 -0.404 69.7 -28.2 59.4-133.4 16.1 1.4 21.4 215 271 A D T 3 S+ 0 0 117 -30,-0.2 2,-1.0 -29,-0.1 -1,-0.2 0.536 117.7 88.1 -96.1 -8.0 16.9 -0.3 24.7 216 272 A D < + 0 0 107 -3,-1.3 4,-0.4 1,-0.1 3,-0.4 -0.774 47.5 171.9 -93.9 97.4 18.6 2.7 26.5 217 273 A L > + 0 0 18 -2,-1.0 4,-3.1 1,-0.2 5,-0.2 0.271 46.6 105.2 -90.8 11.3 15.6 4.4 28.2 218 274 A S H > S+ 0 0 64 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.959 89.2 36.0 -56.8 -54.9 17.8 6.9 30.2 219 275 A G H >> S+ 0 0 25 -3,-0.4 4,-1.0 1,-0.2 3,-0.5 0.889 115.6 57.2 -63.8 -41.4 16.9 9.8 27.9 220 276 A F H >> S+ 0 0 0 -4,-0.4 4,-2.8 1,-0.2 3,-0.9 0.912 105.0 50.2 -55.1 -46.7 13.4 8.5 27.5 221 277 A Y H 3< S+ 0 0 71 -4,-3.1 5,-0.3 1,-0.3 -1,-0.2 0.707 103.4 60.6 -69.2 -20.3 12.7 8.5 31.3 222 278 A Q H << S+ 0 0 131 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.760 113.0 38.4 -73.4 -25.0 14.0 12.1 31.4 223 279 A E H << S+ 0 0 55 -4,-1.0 -126,-0.6 -3,-0.9 2,-0.5 0.885 125.0 33.5 -88.6 -47.2 11.2 13.0 29.0 224 280 A I S < S- 0 0 0 -4,-2.8 -1,-0.3 -5,-0.1 2,-0.1 -0.961 90.5-115.6-120.2 119.8 8.4 10.8 30.4 225 281 A D > - 0 0 87 -2,-0.5 3,-2.1 1,-0.2 4,-0.5 -0.300 13.6-146.5 -55.8 120.3 8.2 10.1 34.1 226 282 A E G > S+ 0 0 85 -5,-0.3 10,-1.5 1,-0.3 3,-0.9 0.815 98.9 63.2 -55.1 -28.8 8.7 6.3 34.7 227 283 A N G 3 S+ 0 0 103 1,-0.2 -1,-0.3 8,-0.2 -2,-0.1 0.472 101.6 48.4 -84.5 -0.9 6.3 6.7 37.6 228 284 A I G < S+ 0 0 19 -3,-2.1 -134,-0.3 2,-0.1 -1,-0.2 0.404 96.2 91.7-108.5 -0.9 3.4 7.7 35.3 229 285 A L S < S- 0 0 0 -3,-0.9 8,-2.6 -4,-0.5 7,-0.2 -0.703 77.8-113.8 -99.2 145.5 3.9 4.9 32.8 230 286 A P B > > -e 237 0B 5 0, 0.0 5,-2.4 0, 0.0 3,-2.2 -0.301 36.1-105.7 -65.6 159.7 2.2 1.4 32.8 231 287 A S G > 5S+ 0 0 64 6,-1.7 3,-1.3 1,-0.3 8,-0.1 0.775 119.0 62.1 -60.5 -29.0 4.5 -1.6 33.4 232 288 A D G 3 5S+ 0 0 25 1,-0.3 -1,-0.3 6,-0.2 7,-0.1 0.371 105.7 47.4 -82.3 7.6 4.3 -2.5 29.7 233 289 A F G < 5S- 0 0 4 -3,-2.2 -1,-0.3 -7,-0.1 -2,-0.2 0.015 131.9 -90.2-127.4 22.5 6.0 0.8 28.8 234 290 A G T < 5S+ 0 0 26 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.532 89.6 122.5 87.3 9.2 8.7 0.5 31.4 235 291 A G S > - 0 0 73 -3,-0.1 3,-1.1 1,-0.1 4,-0.6 -0.971 17.1-155.1-125.2 114.6 -5.8 -1.8 30.4 242 298 A G H 3> S+ 0 0 3 -157,-0.6 4,-2.3 -2,-0.5 -156,-0.2 0.663 82.5 80.4 -63.0 -16.2 -7.9 -0.0 27.7 243 299 A K H 3> S+ 0 0 108 -158,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.877 87.8 52.9 -60.0 -41.1 -11.1 -0.5 29.8 244 300 A A H <> S+ 0 0 66 -3,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.945 111.8 43.7 -62.8 -52.5 -10.5 2.4 32.1 245 301 A V H X S+ 0 0 10 -4,-0.6 4,-2.5 1,-0.2 5,-0.2 0.947 113.0 54.0 -54.3 -50.3 -9.9 5.0 29.3 246 302 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.893 108.6 47.7 -54.4 -46.7 -12.9 3.6 27.4 247 303 A E H < S+ 0 0 129 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.898 112.0 50.3 -63.8 -39.6 -15.2 4.0 30.4 248 304 A Q H < S+ 0 0 146 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.896 115.9 41.9 -62.2 -41.8 -14.0 7.6 31.1 249 305 A L H < 0 0 30 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.900 360.0 360.0 -76.4 -43.1 -14.5 8.6 27.4 250 306 A F < 0 0 87 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.792 360.0 360.0 -96.4 360.0 -17.9 6.9 26.7