==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 20-AUG-09 3IQM . COMPND 2 MOLECULE: PROTEIN TRANSLOCASE SUBUNIT SECA; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. SUBTILIS; . AUTHOR D.KIM,J.F.HUNT . 802 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38707.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 584 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 1 0.1 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 . 55 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 321 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.2 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 6 1 2 2 4 3 2 0 2 0 0 2 0 1 1 2 0 0 1 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 0 2 4 4 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 PARALLEL BRIDGES PER LADDER . 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 0 0 1 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 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 0 136 0, 0.0 8,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 84.5 30.6 36.6 23.4 2 2 A L + 0 0 154 2,-0.1 2,-0.2 4,-0.1 3,-0.2 -0.117 360.0 62.9 -50.9 143.8 32.6 36.3 26.6 3 3 A G S > S- 0 0 52 1,-0.1 3,-0.7 3,-0.0 4,-0.1 -0.673 103.2 -52.9 128.4 177.2 32.8 32.7 28.1 4 4 A I G > S+ 0 0 156 1,-0.3 3,-1.0 -2,-0.2 2,-0.9 0.825 126.0 67.7 -57.1 -33.3 34.2 29.3 27.2 5 5 A L G 3 S+ 0 0 106 1,-0.2 -1,-0.3 -3,-0.2 3,-0.1 -0.123 74.1 95.2 -82.4 41.5 32.3 29.4 23.9 6 6 A N G X + 0 0 30 -2,-0.9 3,-1.3 -3,-0.7 4,-0.3 0.568 54.3 86.0-105.5 -13.1 34.6 32.2 22.7 7 7 A K T < S+ 0 0 148 -3,-1.0 -1,-0.1 1,-0.3 -2,-0.1 0.507 80.4 68.6 -66.7 -2.5 37.1 30.0 20.8 8 8 A M T 3 S+ 0 0 125 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.819 95.4 50.7 -85.4 -32.5 34.7 30.3 17.8 9 9 A F S <> S+ 0 0 111 -3,-1.3 4,-1.2 1,-0.2 3,-0.2 0.419 91.7 86.1 -83.2 0.9 35.4 34.1 17.3 10 10 A D H > S+ 0 0 63 -4,-0.3 4,-1.5 2,-0.2 5,-0.3 0.890 77.0 59.4 -69.8 -42.5 39.1 33.3 17.3 11 11 A P H 4 S+ 0 0 78 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.785 118.2 33.6 -57.9 -27.6 39.5 32.4 13.6 12 12 A T H > S+ 0 0 35 -4,-0.2 4,-1.8 -3,-0.2 -2,-0.2 0.602 107.3 71.0-101.3 -19.7 38.3 35.9 12.7 13 13 A K H X S+ 0 0 91 -4,-1.2 4,-2.7 2,-0.2 3,-0.5 0.972 98.8 44.7 -63.6 -56.9 39.8 37.7 15.7 14 14 A R H X S+ 0 0 195 -4,-1.5 4,-0.9 1,-0.3 -1,-0.2 0.793 115.1 53.3 -58.5 -25.4 43.4 37.5 14.7 15 15 A T H > S+ 0 0 15 -5,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.825 110.8 43.8 -78.4 -33.2 42.2 38.6 11.2 16 16 A L H X S+ 0 0 43 -4,-1.8 4,-1.7 -3,-0.5 -2,-0.2 0.785 108.3 57.5 -81.4 -28.9 40.4 41.6 12.5 17 17 A N H X S+ 0 0 97 -4,-2.7 4,-0.9 -5,-0.2 -1,-0.2 0.848 112.0 46.3 -66.1 -31.7 43.3 42.6 14.8 18 18 A R H >X S+ 0 0 121 -4,-0.9 4,-2.2 -5,-0.3 3,-1.7 0.994 111.7 44.5 -70.5 -73.5 45.3 42.6 11.5 19 19 A Y H 3X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.3 -2,-0.2 0.786 110.7 57.0 -44.5 -35.7 43.1 44.6 9.2 20 20 A E H 3X S+ 0 0 105 -4,-1.7 4,-0.8 2,-0.2 -1,-0.3 0.897 110.6 44.4 -66.7 -36.2 42.4 47.1 11.9 21 21 A K H XX S+ 0 0 137 -3,-1.7 3,-2.1 -4,-0.9 4,-1.6 0.975 108.6 54.8 -69.9 -54.9 46.2 47.6 12.1 22 22 A I H >X S+ 0 0 40 -4,-2.2 4,-1.7 1,-0.3 3,-0.7 0.902 106.1 54.5 -42.7 -49.1 46.7 47.8 8.4 23 23 A A H 3X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.3 -1,-0.3 0.820 104.4 55.2 -57.5 -30.1 44.1 50.5 8.3 24 24 A N H < S+ 0 0 2 -4,-1.7 3,-0.8 1,-0.2 -2,-0.2 0.959 114.1 42.8 -65.5 -50.3 47.3 54.0 5.9 27 27 A D H >< S+ 0 0 39 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.677 108.4 64.6 -69.5 -12.9 46.0 56.7 8.2 28 28 A A H 3< S+ 0 0 72 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.825 106.4 40.0 -76.4 -32.2 49.6 56.8 9.6 29 29 A I T X< S+ 0 0 44 -4,-1.2 3,-0.5 -3,-0.8 -1,-0.2 -0.042 74.9 123.5-108.1 33.3 51.0 58.0 6.3 30 30 A R T < + 0 0 116 -3,-0.7 4,-0.3 1,-0.2 -1,-0.2 0.403 67.6 64.1 -73.8 4.8 48.2 60.4 5.4 31 31 A G T 3> S+ 0 0 39 -3,-0.2 4,-0.8 2,-0.2 3,-0.4 0.830 81.1 74.0 -93.7 -39.0 50.7 63.2 5.2 32 32 A D T <4 S+ 0 0 104 -3,-0.5 -2,-0.1 1,-0.3 -1,-0.1 0.585 119.0 18.8 -50.8 -12.0 52.7 61.8 2.2 33 33 A Y T >4 S+ 0 0 7 -4,-0.2 3,-0.6 -3,-0.1 -1,-0.3 0.430 97.9 97.0-136.2 -10.6 49.8 62.9 0.0 34 34 A E T 34 S+ 0 0 85 -3,-0.4 2,-0.5 -4,-0.3 -2,-0.1 0.915 102.6 19.8 -48.1 -56.1 47.9 65.4 2.2 35 35 A N T 3< S+ 0 0 154 -4,-0.8 2,-0.3 2,-0.0 -1,-0.3 -0.829 96.4 120.6-119.4 87.8 49.5 68.4 0.5 36 36 A L < - 0 0 50 -3,-0.6 5,-0.1 -2,-0.5 -3,-0.0 -0.986 66.0 -96.8-151.4 135.1 50.9 67.1 -2.8 37 37 A S > - 0 0 69 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.164 29.3-120.1 -57.7 147.6 50.1 68.2 -6.4 38 38 A D H > S+ 0 0 73 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.880 112.7 59.1 -51.0 -42.4 47.5 66.3 -8.4 39 39 A D H > S+ 0 0 126 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.948 107.2 42.1 -53.0 -59.4 50.2 65.5 -11.0 40 40 A A H > S+ 0 0 34 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.869 115.9 51.3 -58.9 -39.2 52.6 63.8 -8.6 41 41 A L H >X S+ 0 0 0 -4,-2.2 3,-2.8 2,-0.2 4,-0.7 0.998 110.3 46.9 -59.5 -64.8 49.6 61.9 -7.0 42 42 A K H >< S+ 0 0 94 -4,-3.3 3,-0.5 1,-0.3 4,-0.4 0.779 111.4 54.8 -47.6 -30.0 48.4 60.7 -10.4 43 43 A H H >X S+ 0 0 92 -4,-1.8 4,-2.0 -5,-0.3 3,-1.2 0.761 88.3 75.5 -78.9 -21.7 51.9 59.8 -11.1 44 44 A K H S+ 0 0 75 -3,-1.2 4,-3.3 -4,-0.4 5,-0.3 0.874 106.0 60.3 -75.9 -42.0 52.9 54.6 -12.2 47 47 A E H X S+ 0 0 79 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.861 109.4 48.4 -52.1 -35.7 55.6 54.6 -9.5 48 48 A F H X S+ 0 0 1 -4,-1.8 4,-2.1 -5,-0.2 3,-0.4 0.969 109.1 48.6 -68.2 -58.1 53.6 51.6 -8.2 49 49 A K H X S+ 0 0 73 -4,-1.8 4,-1.3 1,-0.3 5,-0.2 0.896 111.6 52.7 -49.0 -45.4 53.4 49.8 -11.6 50 50 A E H < S+ 0 0 106 -4,-3.3 4,-0.3 1,-0.2 -1,-0.3 0.877 107.8 50.8 -59.8 -40.9 57.1 50.4 -11.9 51 51 A R H ><>S+ 0 0 82 -4,-1.5 5,-1.6 -3,-0.4 3,-0.6 0.835 103.5 62.9 -69.4 -28.9 57.7 48.8 -8.5 52 52 A L H ><5S+ 0 0 20 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.987 104.9 37.6 -63.4 -64.3 55.7 45.8 -9.4 53 53 A E T 3<5S+ 0 0 137 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.494 108.9 72.3 -67.5 3.6 57.6 44.1 -12.2 54 54 A K T < 5S- 0 0 164 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.136 130.5 -79.7 -99.9 15.5 60.6 45.2 -10.2 55 55 A G T < 5S+ 0 0 68 -3,-1.8 -3,-0.2 1,-0.4 -2,-0.1 -0.089 91.0 123.3 117.5 -37.1 60.1 42.6 -7.6 56 56 A A < - 0 0 24 -5,-1.6 -1,-0.4 1,-0.1 2,-0.2 -0.265 52.0-135.4 -64.1 143.8 57.4 44.0 -5.3 57 57 A T >> - 0 0 80 1,-0.1 4,-0.9 -4,-0.1 3,-0.7 -0.652 28.0-105.2 -96.7 156.7 54.2 42.0 -4.7 58 58 A T G >4 S+ 0 0 44 1,-0.3 3,-0.6 -2,-0.2 4,-0.3 0.832 123.4 54.0 -48.5 -36.3 50.7 43.6 -4.8 59 59 A D G >4 S+ 0 0 95 1,-0.2 3,-2.0 2,-0.2 4,-0.5 0.899 95.7 66.1 -66.3 -41.4 50.7 43.3 -1.0 60 60 A D G <4 S+ 0 0 91 -3,-0.7 -1,-0.2 1,-0.3 4,-0.2 0.767 108.2 40.2 -52.8 -27.7 53.9 45.2 -0.7 61 61 A L G S+ 0 0 16 -3,-2.0 4,-3.0 -4,-0.3 5,-0.3 0.916 79.1 48.0 -48.1 -63.0 48.8 47.9 -0.2 63 63 A V H > S+ 0 0 38 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.910 122.3 35.4 -46.0 -53.2 49.3 50.5 2.5 64 64 A E H > S+ 0 0 50 -4,-0.2 4,-2.7 2,-0.2 5,-0.3 0.954 113.8 56.9 -69.4 -50.9 50.5 53.1 0.1 65 65 A A H X S+ 0 0 0 -4,-3.8 4,-1.5 1,-0.2 -2,-0.2 0.910 112.2 43.4 -45.3 -52.2 48.2 52.1 -2.8 66 66 A F H >X S+ 0 0 0 -4,-3.0 4,-3.5 -5,-0.3 3,-0.8 0.960 108.8 57.7 -58.8 -54.3 45.2 52.5 -0.5 67 67 A A H 3X S+ 0 0 4 -4,-2.1 4,-2.6 -5,-0.3 -2,-0.2 0.878 105.5 50.8 -41.8 -52.1 46.5 55.8 0.9 68 68 A V H 3X S+ 0 0 0 -4,-2.7 4,-3.3 2,-0.2 -1,-0.3 0.873 113.6 45.1 -58.1 -38.8 46.6 57.3 -2.6 69 69 A V H X S+ 0 0 5 -4,-2.6 4,-1.2 -5,-0.3 3,-1.1 0.973 110.4 54.1 -69.9 -55.3 43.4 60.7 -0.8 72 72 A A H 3X S+ 0 0 0 -4,-3.3 4,-2.3 1,-0.3 3,-0.3 0.827 105.5 55.2 -50.0 -37.0 42.2 60.7 -4.4 73 73 A S H 3X>S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 6,-1.3 0.858 101.0 57.2 -67.4 -34.9 38.6 60.2 -3.3 74 74 A R H <<5S+ 0 0 95 -3,-1.1 -1,-0.2 -4,-1.0 4,-0.2 0.825 113.1 42.9 -63.7 -29.5 38.7 63.3 -1.0 75 75 A R H <5S+ 0 0 76 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.892 121.3 37.9 -79.9 -45.3 39.6 65.3 -4.1 76 76 A V H <5S+ 0 0 40 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.895 140.6 7.4 -74.9 -46.6 37.2 63.6 -6.5 77 77 A T T <5S- 0 0 64 -4,-3.2 -3,-0.2 2,-0.2 -2,-0.1 0.384 94.1-114.8-122.2 1.5 34.2 63.2 -4.2 78 78 A G S - 0 0 69 1,-0.1 4,-2.2 0, 0.0 5,-0.3 -0.609 28.5-103.1 -93.9 160.7 36.9 55.7 7.3 83 83 A K H > S+ 0 0 90 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.852 124.7 55.0 -47.0 -42.8 39.2 53.1 8.9 84 84 A V H > S+ 0 0 10 2,-0.2 4,-2.9 1,-0.2 -1,-0.3 0.962 106.5 51.3 -56.5 -51.2 36.5 50.5 8.6 85 85 A Q H > S+ 0 0 2 1,-0.3 4,-2.4 -3,-0.3 -2,-0.2 0.918 109.7 48.6 -52.1 -48.5 36.3 51.3 4.9 86 86 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.3 0.890 112.0 52.1 -59.0 -37.9 40.1 50.8 4.6 87 87 A M H X S+ 0 0 14 -4,-2.7 4,-1.8 -5,-0.3 -2,-0.2 0.912 106.8 49.8 -65.5 -43.3 39.6 47.6 6.6 88 88 A G H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.896 107.4 58.3 -60.5 -39.7 36.9 46.3 4.2 89 89 A G H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.939 104.5 47.6 -53.8 -55.6 39.2 47.1 1.4 90 90 A V H X S+ 0 0 4 -4,-1.8 4,-2.2 1,-0.2 3,-0.3 0.881 109.6 54.5 -54.3 -44.2 42.0 44.8 2.7 91 91 A A H X>S+ 0 0 0 -4,-1.8 5,-0.8 1,-0.2 4,-0.5 0.953 106.7 50.9 -53.8 -54.2 39.5 42.0 3.3 92 92 A L H <5S+ 0 0 0 -4,-2.4 3,-0.3 1,-0.3 -1,-0.2 0.761 109.5 51.1 -54.6 -32.7 38.4 42.3 -0.4 93 93 A H H <5S+ 0 0 4 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.857 103.6 57.7 -75.2 -37.2 42.0 42.0 -1.5 94 94 A D H <5S- 0 0 67 -4,-2.2 -1,-0.2 -3,-0.3 -2,-0.2 0.561 123.1-105.7 -69.7 -7.7 42.6 38.9 0.6 95 95 A G T <5S+ 0 0 12 -4,-0.5 293,-0.4 -3,-0.3 2,-0.3 0.947 75.0 130.5 81.9 53.7 39.8 37.3 -1.3 96 96 A N < - 0 0 17 -5,-0.8 273,-1.5 291,-0.2 2,-0.9 -0.825 66.4 -99.3-131.6 171.4 37.0 37.3 1.3 97 97 A I E -ab 369 389A 0 291,-2.8 293,-1.9 -2,-0.3 2,-0.8 -0.837 37.1-152.2 -92.7 106.9 33.4 38.3 1.7 98 98 A A E -ab 370 390A 0 271,-2.7 273,-2.0 -2,-0.9 2,-0.8 -0.744 8.1-162.3 -83.8 110.8 33.5 41.7 3.3 99 99 A E E +ab 371 391A 18 291,-1.9 293,-2.1 -2,-0.8 2,-0.5 -0.853 16.6 169.4 -97.3 105.8 30.3 42.1 5.3 100 100 A M E - b 0 392A 0 271,-2.5 4,-0.3 -2,-0.8 3,-0.3 -0.964 44.8 -98.9-122.6 116.1 29.7 45.7 6.1 101 101 A K > - 0 0 62 -2,-0.5 3,-1.8 291,-0.5 2,-0.3 0.098 48.4 -94.1 -36.6 129.7 26.3 46.7 7.5 102 102 A T T 3 S+ 0 0 21 1,-0.3 -1,-0.2 270,-0.3 424,-0.0 -0.319 113.9 50.0 -52.8 107.2 24.1 48.1 4.8 103 103 A G T 3 S+ 0 0 9 -2,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.205 85.6 94.1 143.3 -15.1 24.6 51.8 5.1 104 104 A E S < S- 0 0 22 -3,-1.8 2,-0.2 -4,-0.3 3,-0.2 0.290 89.9 -84.2 -79.3-145.3 28.4 52.2 5.0 105 105 A G > + 0 0 14 1,-0.1 4,-3.6 2,-0.1 3,-0.2 -0.523 60.4 147.4-131.9 69.9 30.3 52.9 1.8 106 106 A K H > S+ 0 0 30 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.902 74.0 58.9 -67.9 -43.2 31.0 49.6 0.0 107 107 A T H 4 S+ 0 0 30 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.824 117.7 35.2 -58.9 -25.6 30.9 51.1 -3.4 108 108 A L H >> S+ 0 0 8 -3,-0.2 3,-2.0 2,-0.2 4,-0.6 0.883 113.1 56.5 -89.0 -50.9 33.7 53.4 -2.3 109 109 A T H >< S+ 0 0 0 -4,-3.6 3,-1.3 1,-0.3 -2,-0.2 0.880 100.8 62.1 -46.6 -43.5 35.4 50.9 -0.1 110 110 A S T 3X S+ 0 0 4 -4,-3.3 4,-2.2 1,-0.3 -1,-0.3 0.748 86.5 74.3 -56.1 -30.4 35.7 48.6 -3.2 111 111 A T H <> S+ 0 0 0 -3,-2.0 4,-1.9 -5,-0.2 -1,-0.3 0.919 89.2 60.2 -51.7 -44.7 37.8 51.2 -4.9 112 112 A L H S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.839 116.3 58.0 -76.4 -30.4 41.3 46.7 -3.7 114 114 A V H X S+ 0 0 0 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.813 113.0 43.3 -67.3 -26.8 40.0 47.0 -7.2 115 115 A Y H X S+ 0 0 2 -4,-1.9 4,-0.9 -5,-0.3 3,-0.2 0.966 110.9 49.7 -80.9 -63.2 42.7 49.7 -7.7 116 116 A L H < S+ 0 0 0 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.812 119.1 42.4 -45.7 -32.2 45.7 47.9 -6.0 117 117 A N H < S+ 0 0 8 -4,-1.8 5,-0.3 1,-0.2 -1,-0.2 0.873 105.3 60.9 -85.2 -35.6 44.8 44.9 -8.0 118 118 A A H >< S+ 0 0 0 -4,-1.2 3,-1.4 -5,-0.2 2,-1.0 0.505 76.9 99.1 -67.9 -3.7 44.1 46.6 -11.3 119 119 A L T 3< S+ 0 0 1 -4,-0.9 -1,-0.2 -3,-0.3 -67,-0.1 -0.096 79.0 50.7 -80.0 39.2 47.7 47.9 -11.3 120 120 A T T 3 S- 0 0 74 -2,-1.0 -1,-0.3 -3,-0.2 -2,-0.1 0.147 102.5-120.2-155.3 18.2 48.9 45.3 -13.7 121 121 A G S < S+ 0 0 35 -3,-1.4 -2,-0.1 1,-0.2 -3,-0.1 0.680 76.5 125.3 44.4 25.9 46.4 45.4 -16.6 122 122 A K S S- 0 0 91 -5,-0.3 -1,-0.2 1,-0.2 80,-0.1 0.504 78.5 -96.1 -87.3 -7.3 45.5 41.8 -16.0 123 123 A G - 0 0 2 48,-0.2 80,-0.5 -5,-0.2 2,-0.3 0.246 32.7-151.4 99.2 136.5 41.9 42.7 -15.6 124 124 A V E -c 203 0A 0 46,-0.3 49,-2.1 78,-0.1 2,-0.5 -0.898 10.1-159.2-145.9 109.6 39.5 43.4 -12.7 125 125 A H E -cd 204 173A 3 78,-2.5 80,-2.7 -2,-0.3 2,-0.7 -0.791 4.6-167.2 -96.0 127.8 35.8 42.8 -13.0 126 126 A V E -cd 205 174A 5 47,-2.5 49,-1.5 -2,-0.5 2,-0.4 -0.920 19.7-161.5-114.8 99.1 33.4 44.5 -10.6 127 127 A V E -cd 206 175A 0 78,-1.4 80,-2.4 -2,-0.7 2,-0.2 -0.702 9.0-171.5 -94.3 134.7 30.1 42.7 -11.0 128 128 A T E - d 0 176A 0 47,-2.6 49,-1.3 -2,-0.4 80,-0.1 -0.730 34.0-114.3-116.8 165.9 26.6 44.0 -10.0 129 129 A V S S+ 0 0 24 -2,-0.2 2,-0.3 47,-0.2 49,-0.1 0.873 96.4 16.7 -69.6 -36.3 23.2 42.6 -9.8 130 130 A N S > S- 0 0 21 45,-0.1 4,-2.0 46,-0.1 5,-0.2 -0.927 77.9-111.7-134.3 161.1 21.6 44.7 -12.5 131 131 A E H > S+ 0 0 70 -2,-0.3 4,-2.7 2,-0.2 24,-0.1 0.851 111.8 54.2 -58.9 -40.4 22.9 46.9 -15.4 132 132 A Y H > S+ 0 0 47 2,-0.2 4,-1.7 1,-0.2 5,-0.3 0.993 110.6 42.3 -58.2 -67.2 21.8 50.2 -13.9 133 133 A L H > S+ 0 0 7 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.893 116.5 50.2 -45.9 -45.7 23.5 49.8 -10.6 134 134 A A H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -1,-0.3 0.909 114.3 46.3 -62.1 -38.9 26.5 48.5 -12.4 135 135 A S H X S+ 0 0 51 -4,-2.7 4,-1.7 -3,-0.3 3,-0.3 0.985 113.5 44.4 -63.0 -80.1 26.3 51.6 -14.7 136 136 A R H X S+ 0 0 46 -4,-1.7 4,-2.2 1,-0.2 5,-0.3 0.829 114.1 53.8 -28.4 -58.3 25.7 54.3 -12.1 137 137 A D H X S+ 0 0 6 -4,-2.6 4,-2.4 -5,-0.3 5,-0.4 0.938 106.4 49.3 -45.9 -64.1 28.5 52.7 -10.0 138 138 A A H < S+ 0 0 10 -4,-2.2 -1,-0.2 -3,-0.3 4,-0.2 0.837 112.7 49.0 -45.2 -43.7 31.1 52.7 -12.8 139 139 A E H >X S+ 0 0 143 -4,-1.7 4,-1.1 -3,-0.3 3,-0.6 0.990 118.9 34.9 -63.0 -61.7 30.4 56.4 -13.6 140 140 A Q H >< S+ 0 0 80 -4,-2.2 3,-0.5 1,-0.2 4,-0.5 0.943 126.1 37.5 -59.7 -57.2 30.6 57.8 -10.0 141 141 A M T 3X S+ 0 0 20 -4,-2.4 4,-0.8 -5,-0.3 -1,-0.2 0.430 107.1 73.6 -76.6 2.0 33.4 55.5 -8.6 142 142 A G H X> S+ 0 0 2 -3,-0.6 4,-3.2 -5,-0.4 3,-0.6 0.902 81.8 64.0 -79.6 -42.7 35.0 55.8 -12.0 143 143 A K H S+ 0 0 1 -4,-0.5 4,-1.6 2,-0.2 -1,-0.3 0.938 112.6 41.1 -61.7 -47.2 38.4 58.1 -8.8 145 145 A F H <<>S+ 0 0 1 -4,-0.8 5,-0.8 -3,-0.6 -2,-0.2 0.891 115.6 48.3 -67.6 -46.8 40.0 55.5 -11.1 146 146 A E H ><5S+ 0 0 115 -4,-3.2 3,-1.9 3,-0.3 -1,-0.2 0.902 107.4 58.2 -62.2 -41.2 40.3 57.7 -14.1 147 147 A F H 3<5S+ 0 0 31 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.932 105.8 47.0 -54.0 -50.7 41.9 60.4 -11.8 148 148 A L T 3<5S- 0 0 2 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.391 131.5-103.9 -72.7 6.8 44.6 57.9 -10.8 149 149 A G T < 5S+ 0 0 49 -3,-1.9 2,-0.3 1,-0.2 -3,-0.3 0.992 72.1 141.4 68.4 65.3 44.8 57.4 -14.5 150 150 A L < - 0 0 7 -5,-0.8 2,-0.3 -8,-0.2 -1,-0.2 -0.999 49.3-121.6-137.7 131.8 43.1 54.0 -15.1 151 151 A T - 0 0 90 -2,-0.3 21,-1.2 18,-0.1 2,-0.5 -0.552 24.9-164.8 -76.8 132.8 40.8 53.1 -17.9 152 152 A V E -e 172 0A 34 -2,-0.3 2,-0.3 19,-0.2 21,-0.2 -0.965 3.5-169.8-123.8 116.0 37.3 51.9 -16.9 153 153 A G E -e 173 0A 6 19,-1.1 21,-2.4 -2,-0.5 2,-0.2 -0.805 11.5-143.6-103.9 146.0 35.1 50.1 -19.4 154 154 A L E -e 174 0A 49 -2,-0.3 2,-0.4 19,-0.2 21,-0.2 -0.700 9.7-150.3-102.6 158.5 31.4 49.3 -18.9 155 155 A N + 0 0 2 19,-1.1 21,-0.4 -2,-0.2 2,-0.3 -0.807 24.5 156.1-139.6 103.2 29.7 46.1 -20.1 156 156 A L > - 0 0 42 -2,-0.4 3,-2.7 19,-0.1 8,-0.1 -0.918 50.9-118.0-121.1 146.7 26.1 45.8 -21.1 157 157 A N T 3 S+ 0 0 101 -2,-0.3 -1,-0.0 1,-0.3 7,-0.0 0.610 110.9 70.1 -58.3 -8.7 24.4 43.2 -23.4 158 158 A S T 3 S+ 0 0 87 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.512 79.0 101.7 -86.3 -5.1 23.5 46.2 -25.6 159 159 A M S < S- 0 0 31 -3,-2.7 -4,-0.0 1,-0.1 0, 0.0 -0.558 74.2-105.3 -84.1 147.5 27.1 46.7 -26.6 160 160 A S > - 0 0 44 -2,-0.2 4,-1.9 1,-0.1 5,-0.3 -0.006 28.6 -98.0 -71.7 169.5 28.5 45.5 -30.0 161 161 A K T 4 S+ 0 0 121 1,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.351 129.7 32.7 -63.3 3.5 30.8 42.7 -31.2 162 162 A D T >> S+ 0 0 119 3,-0.0 4,-1.1 2,-0.0 3,-0.7 0.608 110.2 59.8-128.4 -43.6 33.5 45.4 -31.1 163 163 A E H >> S+ 0 0 95 1,-0.2 4,-2.4 2,-0.2 3,-0.5 0.924 101.7 55.9 -55.3 -52.3 32.5 47.7 -28.2 164 164 A K H 3X S+ 0 0 13 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.739 98.8 59.3 -57.4 -27.6 32.7 45.0 -25.6 165 165 A R H <> S+ 0 0 53 -3,-0.7 4,-1.2 -5,-0.3 -1,-0.2 0.938 110.4 44.2 -66.3 -43.1 36.3 44.0 -26.4 166 166 A E H XX S+ 0 0 143 -4,-1.1 4,-2.1 -3,-0.5 3,-0.8 0.961 111.4 52.5 -60.1 -55.9 37.3 47.5 -25.6 167 167 A A H 3< S+ 0 0 3 -4,-2.4 -14,-0.4 1,-0.3 -1,-0.2 0.852 113.3 44.7 -50.2 -41.2 35.2 47.6 -22.4 168 168 A Y H 3< S+ 0 0 2 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.733 107.1 62.0 -76.8 -22.6 36.9 44.3 -21.4 169 169 A A H << S+ 0 0 58 -4,-1.2 -2,-0.2 -3,-0.8 -1,-0.2 0.922 79.5 98.8 -68.1 -46.0 40.3 45.8 -22.4 170 170 A A S < S- 0 0 10 -4,-2.1 -46,-0.3 1,-0.2 3,-0.2 0.079 87.4-117.4 -36.0 152.5 40.1 48.6 -19.8 171 171 A D S S+ 0 0 19 -20,-0.4 2,-0.3 1,-0.2 -48,-0.2 0.541 104.7 38.9 -80.0 -3.1 42.1 47.8 -16.7 172 172 A I E S- e 0 152A 0 -21,-1.2 -19,-1.1 -5,-0.1 2,-0.3 -0.835 77.9-166.7-146.5 107.4 38.9 48.0 -14.6 173 173 A T E -de 125 153A 1 -49,-2.1 -47,-2.5 -2,-0.3 2,-0.4 -0.743 8.7-155.9-101.3 144.6 35.6 46.6 -16.0 174 174 A Y E +de 126 154A 0 -21,-2.4 -19,-1.1 -2,-0.3 2,-0.3 -0.922 32.7 131.5-115.8 135.3 32.0 47.0 -14.9 175 175 A S E -d 127 0A 2 -49,-1.5 -47,-2.6 -2,-0.4 2,-0.3 -0.916 48.2 -91.5-162.4-173.2 29.3 44.4 -15.7 176 176 A T E > -d 128 0A 8 -21,-0.4 4,-1.9 -2,-0.3 5,-0.3 -0.733 39.0-107.3-112.7 164.7 26.5 42.2 -14.5 177 177 A N H > S+ 0 0 0 -49,-1.3 4,-0.7 -2,-0.3 -48,-0.1 0.751 119.8 44.6 -61.5 -26.8 26.6 38.6 -13.2 178 178 A N H > S+ 0 0 40 2,-0.2 4,-3.8 3,-0.2 5,-0.4 0.928 107.7 54.1 -85.3 -49.4 25.0 37.4 -16.4 179 179 A E H > S+ 0 0 14 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.945 110.7 45.9 -49.0 -58.3 26.9 39.4 -18.9 180 180 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.3 0.885 116.9 48.4 -53.6 -38.7 30.2 38.2 -17.7 181 181 A G H X S+ 0 0 0 -4,-0.7 4,-1.4 -5,-0.3 -2,-0.2 0.971 112.3 44.5 -67.8 -56.2 28.7 34.7 -17.7 182 182 A F H X S+ 0 0 15 -4,-3.8 4,-3.1 1,-0.2 5,-0.3 0.880 110.2 56.2 -58.7 -38.0 27.1 34.6 -21.0 183 183 A D H X S+ 0 0 4 -4,-2.9 4,-3.5 -5,-0.4 5,-0.2 0.964 101.1 56.7 -57.7 -51.2 30.2 36.2 -22.7 184 184 A Y H < S+ 0 0 33 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.860 113.0 44.3 -45.0 -41.5 32.4 33.4 -21.3 185 185 A L H >< S+ 0 0 0 -4,-1.4 3,-3.2 2,-0.2 -2,-0.2 0.972 111.3 48.0 -72.1 -55.5 30.1 31.1 -23.1 186 186 A R H >X S+ 0 0 98 -4,-3.1 3,-1.8 1,-0.3 4,-0.9 0.856 104.0 66.8 -55.3 -28.6 29.7 33.0 -26.4 187 187 A D T 3< S+ 0 0 15 -4,-3.5 -1,-0.3 1,-0.3 -2,-0.2 0.601 97.8 52.7 -67.8 -8.5 33.5 33.2 -26.3 188 188 A N T <4 S+ 0 0 23 -3,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.141 101.8 56.3-114.0 20.5 33.6 29.4 -26.8 189 189 A M T <4 S+ 0 0 40 -3,-1.8 -2,-0.2 -4,-0.1 -1,-0.1 0.426 79.6 128.5-116.8 -19.7 31.4 29.3 -29.9 190 190 A V < - 0 0 12 -4,-0.9 3,-0.1 1,-0.1 428,-0.1 -0.084 42.5-168.4 -40.8 130.0 33.8 31.7 -31.6 191 191 A L S S+ 0 0 21 1,-0.3 2,-0.5 595,-0.1 -1,-0.1 0.707 79.7 44.1 -94.1 -27.4 35.0 30.5 -35.0 192 192 A Y S > S- 0 0 72 1,-0.1 3,-3.2 427,-0.0 -1,-0.3 -0.982 85.7-128.7-124.9 119.9 37.7 33.2 -35.3 193 193 A K G > S+ 0 0 88 425,-0.5 3,-2.0 -2,-0.5 -1,-0.1 0.743 104.1 60.5 -29.3 -54.8 39.9 34.0 -32.3 194 194 A E G 3 S+ 0 0 137 1,-0.3 -1,-0.3 -3,-0.1 -4,-0.0 0.509 86.0 76.3 -59.5 -9.4 39.3 37.8 -32.4 195 195 A Q G < S+ 0 0 64 -3,-3.2 2,-0.4 -8,-0.1 -1,-0.3 0.558 70.5 107.1 -81.7 -4.2 35.6 37.3 -31.8 196 196 A M < - 0 0 44 -3,-2.0 -12,-0.1 -4,-0.2 -9,-0.1 -0.617 50.1-171.3 -77.3 127.2 36.3 36.6 -28.2 197 197 A V + 0 0 9 -2,-0.4 -29,-0.2 -14,-0.2 -1,-0.2 0.885 59.0 68.6 -84.3 -43.8 35.3 39.5 -26.0 198 198 A Q - 0 0 21 -15,-0.1 3,-0.1 -18,-0.1 -29,-0.1 -0.240 66.6-142.4 -76.9 166.3 36.7 38.6 -22.6 199 199 A R - 0 0 73 -31,-0.1 3,-0.1 1,-0.1 -2,-0.1 -0.720 55.5 -57.8-117.1 168.1 40.4 38.4 -21.5 200 200 A P - 0 0 104 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.310 67.8-106.8 -55.9 128.3 41.7 35.7 -19.1 201 201 A L + 0 0 23 1,-0.2 164,-0.9 -3,-0.1 3,-0.1 -0.444 52.5 162.8 -61.0 118.2 39.6 36.1 -15.9 202 202 A H - 0 0 21 -2,-0.3 164,-1.8 1,-0.3 2,-0.4 0.869 52.9 -6.9-104.4 -70.8 41.8 37.6 -13.3 203 203 A F E -cf 124 366A 0 -80,-0.5 -78,-2.5 162,-0.2 2,-0.3 -0.990 57.3-163.4-143.2 132.2 40.1 39.1 -10.3 204 204 A A E -cf 125 367A 0 162,-1.7 164,-0.7 -2,-0.4 2,-0.4 -0.875 6.5-164.4-117.5 146.2 36.5 39.6 -9.5 205 205 A V E -cf 126 368A 1 -80,-2.7 -78,-1.4 -2,-0.3 2,-0.6 -0.941 13.1-156.9-132.9 110.8 34.7 41.8 -7.0 206 206 A I E > -cf 127 369A 0 162,-3.2 164,-2.8 -2,-0.4 3,-0.7 -0.787 2.7-155.5 -96.6 117.5 31.1 41.0 -6.4 207 207 A D E 3 S+ f 0 370A 12 -80,-2.4 5,-0.2 -2,-0.6 164,-0.2 -0.760 87.5 15.6 -87.2 130.5 28.8 43.7 -5.0 208 208 A Q T >> S- 0 0 9 162,-3.0 4,-1.4 -2,-0.5 3,-0.7 0.890 80.9-174.1 71.3 41.1 25.8 42.1 -3.2 209 209 A V H <>>S+ 0 0 0 161,-1.1 4,-2.4 -3,-0.7 5,-0.6 0.722 74.8 58.5 -37.0 -42.4 27.6 38.8 -3.1 210 210 A D H 3>>S+ 0 0 1 163,-0.2 4,-2.4 3,-0.2 5,-1.1 0.979 106.6 46.1 -58.2 -57.5 24.6 37.0 -1.7 211 211 A S H <4>S+ 0 0 17 -3,-0.7 5,-2.9 3,-0.2 6,-0.3 0.952 123.5 32.7 -49.0 -59.9 22.3 37.9 -4.5 212 212 A I H <5S+ 0 0 0 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.969 126.2 36.7 -66.2 -57.9 24.8 37.0 -7.2 213 213 A L H <5S+ 0 0 1 -4,-2.4 -3,-0.2 -5,-0.2 -1,-0.2 0.784 134.3 15.9 -67.6 -31.2 26.7 34.1 -5.8 214 214 A I T >< + 0 0 41 1,-0.2 4,-0.7 2,-0.1 3,-0.4 -0.131 9.1 127.6 -66.9 44.9 14.8 19.8 -41.5 231 231 A T T 4 + 0 0 67 -2,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.173 66.0 75.7 -83.9 18.1 12.8 16.7 -40.5 232 232 A K T > S+ 0 0 149 2,-0.1 4,-1.0 3,-0.1 -1,-0.2 0.837 92.4 41.7 -95.2 -45.8 12.8 16.3 -44.3 233 233 A L H > S+ 0 0 61 -3,-0.4 4,-1.6 2,-0.2 -2,-0.1 0.687 102.9 66.7 -80.8 -18.0 16.4 15.1 -44.9 234 234 A Y H X S+ 0 0 42 -4,-0.7 4,-1.9 2,-0.2 3,-0.4 0.970 106.1 42.1 -65.0 -50.2 16.7 12.7 -42.0 235 235 A V H > S+ 0 0 70 -4,-0.3 4,-4.1 1,-0.2 5,-0.2 0.848 108.8 61.3 -62.4 -35.3 14.1 10.3 -43.5 236 236 A Q H X S+ 0 0 107 -4,-1.0 4,-2.9 2,-0.2 -1,-0.2 0.881 103.6 49.9 -57.8 -40.1 15.7 10.9 -46.9 237 237 A A H X S+ 0 0 6 -4,-1.6 4,-2.7 -3,-0.4 5,-0.3 0.964 113.6 44.8 -63.3 -49.9 18.8 9.4 -45.4 238 238 A N H X S+ 0 0 26 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.901 115.7 47.2 -60.3 -42.2 16.7 6.5 -44.2 239 239 A A H < S+ 0 0 60 -4,-4.1 -1,-0.2 2,-0.2 -2,-0.2 0.877 113.9 48.5 -67.1 -38.1 14.9 6.2 -47.5 240 240 A 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