==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 12-DEC-12 4IDH . COMPND 2 MOLECULE: GENE 2 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA PHAGE SF6; . AUTHOR H.ZHAO,T.CHRISTENSEN,Y.KAMAU,L.TANG . 451 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22549.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 303 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 . 27 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 2 1 2 3 3 0 0 2 0 2 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 0 3 3 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 PARALLEL BRIDGES PER LADDER . 4 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 S 0 0 155 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.4 9.0 42.4 22.8 2 4 A I - 0 0 43 1,-0.1 5,-0.1 2,-0.0 27,-0.0 -0.707 360.0 -82.9 -91.6 143.8 12.3 43.3 24.5 3 5 A N > - 0 0 28 -2,-0.3 3,-1.3 1,-0.2 4,-0.2 -0.266 41.7-142.9 -40.2 115.5 12.6 43.5 28.3 4 6 A P G > S+ 0 0 96 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.772 93.0 68.2 -65.6 -30.6 11.3 47.0 29.0 5 7 A I G 3 S+ 0 0 60 1,-0.3 -2,-0.1 169,-0.2 4,-0.0 0.799 98.7 53.5 -57.2 -28.4 13.8 47.7 31.8 6 8 A F G X S+ 0 0 0 -3,-1.3 3,-2.5 1,-0.2 -1,-0.3 0.436 72.8 107.8 -94.1 2.5 16.5 47.8 29.2 7 9 A E G X> S+ 0 0 99 -3,-1.7 3,-2.1 1,-0.3 4,-0.5 0.844 71.2 63.7 -43.8 -42.5 14.9 50.3 26.9 8 10 A P G 34 S+ 0 0 43 0, 0.0 3,-0.4 0, 0.0 -1,-0.3 0.702 90.2 67.5 -61.6 -16.2 17.5 53.0 27.9 9 11 A F G <4 S+ 0 0 2 -3,-2.5 -2,-0.2 1,-0.2 4,-0.1 0.505 88.7 66.2 -80.3 -4.9 20.2 50.9 26.3 10 12 A I T <4 S+ 0 0 94 -3,-2.1 -1,-0.2 -4,-0.3 -3,-0.1 0.782 89.8 77.3 -82.4 -30.6 18.7 51.5 22.9 11 13 A E S < S- 0 0 114 -4,-0.5 2,-0.3 -3,-0.4 0, 0.0 -0.363 100.2 -89.8 -71.7 158.0 19.6 55.3 23.2 12 14 A A + 0 0 81 -2,-0.1 2,-0.3 127,-0.0 -1,-0.1 -0.566 58.0 151.7 -74.3 128.6 23.2 56.4 22.6 13 15 A H - 0 0 38 -2,-0.3 127,-0.2 -4,-0.1 152,-0.1 -0.951 46.7-134.1-151.6 140.5 25.5 56.5 25.7 14 16 A R S S+ 0 0 65 150,-0.3 126,-2.8 -2,-0.3 2,-0.4 0.885 98.0 33.3 -60.8 -40.6 29.2 56.1 26.0 15 17 A Y E -ab 140 165A 24 149,-2.0 151,-2.6 124,-0.2 2,-0.5 -0.974 62.1-178.3-122.2 129.2 28.8 53.7 28.9 16 18 A K E +ab 141 166A 4 124,-2.4 126,-3.1 -2,-0.4 2,-0.5 -0.960 15.7 179.1-124.8 112.3 25.9 51.2 29.4 17 19 A V E -ab 142 167A 0 149,-2.8 151,-3.2 -2,-0.5 2,-0.5 -0.952 13.2-175.3-124.9 124.5 26.2 49.3 32.7 18 20 A A E +ab 143 168A 0 124,-3.0 126,-2.0 -2,-0.5 2,-0.3 -0.974 12.6 174.7-118.7 122.3 23.9 46.7 34.1 19 21 A K E +ab 144 169A 23 149,-2.6 151,-2.7 -2,-0.5 2,-0.3 -0.907 18.8 101.6-125.0 153.5 24.6 45.3 37.6 20 22 A G - 0 0 1 124,-1.4 151,-0.2 -2,-0.3 183,-0.2 -0.961 58.3 -63.6 164.3-171.3 22.8 42.9 39.9 21 23 A G > - 0 0 1 180,-0.4 3,-0.8 -2,-0.3 180,-0.3 -0.019 67.0 -53.1 -89.3-164.8 22.6 39.4 41.2 22 24 A R T 3 S+ 0 0 109 178,-2.1 150,-0.4 1,-0.2 -1,-0.2 -0.351 113.0 24.6 -71.9 151.0 21.9 36.0 39.6 23 25 A G T 3 S+ 0 0 15 148,-0.1 -1,-0.2 -3,-0.1 152,-0.1 0.627 76.8 122.9 74.3 17.6 18.9 35.2 37.5 24 26 A S < - 0 0 3 -3,-0.8 153,-0.1 146,-0.2 147,-0.1 0.724 68.7-134.0 -80.7 -21.4 18.2 38.8 36.4 25 27 A G > + 0 0 17 150,-0.1 4,-2.3 145,-0.1 5,-0.2 0.595 62.5 134.7 76.6 12.8 18.4 37.9 32.7 26 28 A K H > + 0 0 8 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.865 69.3 51.7 -63.3 -37.0 20.5 41.0 32.1 27 29 A S H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.876 110.9 48.1 -68.8 -36.8 23.0 39.0 29.9 28 30 A W H > S+ 0 0 114 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.876 111.5 51.1 -66.2 -39.2 20.1 37.7 27.8 29 31 A A H X S+ 0 0 6 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.927 112.4 45.4 -63.3 -45.9 18.7 41.2 27.5 30 32 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.931 111.0 52.6 -64.7 -44.6 22.1 42.6 26.3 31 33 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.907 109.3 50.9 -55.3 -43.2 22.6 39.7 23.9 32 34 A R H X S+ 0 0 38 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.940 110.4 47.8 -62.8 -47.6 19.2 40.4 22.4 33 35 A L H X S+ 0 0 18 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.904 112.5 49.0 -62.6 -39.7 19.9 44.1 21.9 34 36 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.894 110.7 50.4 -69.3 -37.8 23.3 43.5 20.3 35 37 A V H X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.935 110.9 49.1 -61.9 -43.8 21.8 40.9 17.9 36 38 A E H < S+ 0 0 26 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.869 111.8 49.1 -66.2 -34.9 19.1 43.4 16.9 37 39 A A H >X S+ 0 0 17 -4,-2.1 4,-2.2 1,-0.2 3,-1.4 0.916 108.3 53.9 -66.3 -43.7 21.7 46.1 16.3 38 40 A A H 3< S+ 0 0 0 -4,-2.4 52,-0.5 1,-0.3 50,-0.3 0.808 103.8 56.5 -61.2 -29.4 23.8 43.7 14.3 39 41 A R T 3< S+ 0 0 56 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.687 120.0 29.4 -74.2 -16.2 20.8 43.0 12.1 40 42 A R T <4 S+ 0 0 161 -3,-1.4 -2,-0.2 -4,-0.5 -1,-0.2 0.608 117.7 43.5-122.5 -18.2 20.4 46.7 11.2 41 43 A Q S < S- 0 0 99 -4,-2.2 2,-2.2 -5,-0.1 -1,-0.2 -0.977 76.9-118.6-135.0 145.0 23.8 48.4 11.4 42 44 A P + 0 0 97 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 -0.308 58.1 163.5 -77.3 56.8 27.3 47.3 10.1 43 45 A V - 0 0 8 -2,-2.2 48,-2.1 -6,-0.2 2,-0.6 -0.511 38.0-143.1 -83.9 141.9 28.7 47.3 13.6 44 46 A R E -c 91 0A 79 65,-0.4 67,-2.3 46,-0.2 68,-1.8 -0.926 23.9-163.6 -97.5 123.2 31.9 45.7 14.8 45 47 A I E -cd 92 112A 0 46,-3.2 48,-2.6 -2,-0.6 2,-0.7 -0.931 10.1-157.9-118.2 116.3 31.3 44.3 18.3 46 48 A L E -cd 93 113A 0 66,-2.7 68,-2.6 -2,-0.6 2,-0.7 -0.830 4.6-161.7 -91.1 117.5 34.1 43.3 20.6 47 49 A C E +cd 94 114A 5 46,-3.2 48,-2.1 -2,-0.7 2,-0.3 -0.890 23.7 178.0 -97.8 112.9 32.9 40.8 23.3 48 50 A A E +cd 95 115A 2 66,-2.8 68,-2.0 -2,-0.7 2,-0.3 -0.810 16.4 171.2-119.6 154.8 35.6 41.0 26.0 49 51 A R E -c 96 0A 39 46,-1.2 48,-3.2 -2,-0.3 49,-0.3 -0.963 44.3-105.1-151.6 165.3 36.2 39.4 29.4 50 52 A E S S+ 0 0 14 66,-0.4 48,-2.9 -2,-0.3 2,-0.4 0.951 104.6 15.7 -56.7 -52.6 39.0 39.3 31.9 51 53 A L + 0 0 74 46,-0.2 2,-0.3 45,-0.2 -1,-0.2 -0.985 57.5 174.9-131.4 128.8 40.1 35.7 31.1 52 54 A Q + 0 0 25 -2,-0.4 44,-0.3 -3,-0.1 3,-0.1 -0.656 8.0 165.7-132.5 79.7 39.2 33.5 28.1 53 55 A N S S+ 0 0 122 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.751 77.7 8.9 -69.5 -22.2 41.1 30.2 28.2 54 56 A S S > S- 0 0 46 -3,-0.1 3,-2.2 1,-0.1 4,-0.3 -0.984 78.6-110.3-151.4 160.6 38.8 28.9 25.6 55 57 A I G > S+ 0 0 22 -2,-0.3 3,-1.9 1,-0.3 5,-0.4 0.792 112.6 70.8 -60.3 -27.3 36.1 30.2 23.3 56 58 A S G 3 S+ 0 0 97 1,-0.3 -1,-0.3 4,-0.1 5,-0.1 0.692 89.4 63.1 -64.2 -16.3 33.5 28.3 25.3 57 59 A D G < S+ 0 0 70 -3,-2.2 -1,-0.3 2,-0.0 -2,-0.2 0.647 93.1 83.4 -79.3 -16.0 34.1 30.9 28.1 58 60 A S S < S- 0 0 15 -3,-1.9 3,-0.5 -4,-0.3 4,-0.3 -0.211 94.4-105.6 -81.9 176.0 32.8 33.7 25.9 59 61 A V S > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.1 5,-0.2 0.300 88.5 108.1 -80.2 9.9 29.2 34.8 25.2 60 62 A I H > S+ 0 0 9 -5,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.924 78.2 47.4 -59.9 -44.4 29.3 33.3 21.8 61 63 A R H > S+ 0 0 160 -3,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.900 110.6 53.8 -61.4 -39.6 26.9 30.4 22.7 62 64 A L H > S+ 0 0 25 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.916 110.1 46.3 -59.6 -45.6 24.6 32.9 24.3 63 65 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.919 112.5 50.1 -64.3 -42.8 24.5 35.0 21.1 64 66 A E H X S+ 0 0 53 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.908 111.3 48.8 -60.0 -43.3 23.9 31.8 19.0 65 67 A D H X S+ 0 0 52 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.856 110.4 51.6 -65.2 -36.3 21.1 30.8 21.3 66 68 A T H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.935 110.6 47.7 -63.2 -47.7 19.6 34.2 21.1 67 69 A I H X>S+ 0 0 1 -4,-2.5 5,-2.7 1,-0.2 4,-0.7 0.910 115.5 45.0 -61.9 -43.2 19.7 34.1 17.3 68 70 A E H ><5S+ 0 0 124 -4,-2.5 3,-1.0 3,-0.2 -2,-0.2 0.942 110.4 53.8 -67.5 -46.8 18.1 30.7 17.2 69 71 A R H 3<5S+ 0 0 123 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.895 111.4 45.1 -53.3 -45.7 15.5 31.5 19.8 70 72 A E H 3<5S- 0 0 61 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.584 115.7-114.5 -79.0 -8.9 14.3 34.6 17.8 71 73 A G T <<5S+ 0 0 61 -3,-1.0 3,-0.3 -4,-0.7 -3,-0.2 0.725 78.7 125.7 85.3 24.1 14.3 32.6 14.5 72 74 A Y > < + 0 0 32 -5,-2.7 3,-2.3 -6,-0.2 4,-0.3 0.327 27.1 115.3 -97.1 6.3 17.1 34.7 12.9 73 75 A S G > + 0 0 52 -6,-0.5 3,-2.0 1,-0.3 -1,-0.2 0.839 69.6 58.5 -47.8 -44.4 19.5 31.8 12.0 74 76 A A G 3 S+ 0 0 97 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.583 99.3 61.5 -67.1 -9.3 19.3 32.2 8.2 75 77 A E G < S+ 0 0 60 -3,-2.3 11,-3.2 -8,-0.1 12,-0.4 0.501 99.6 67.0 -89.2 -7.5 20.6 35.8 8.5 76 78 A F E < -E 85 0A 17 -3,-2.0 2,-0.5 -4,-0.3 9,-0.2 -0.793 62.9-143.0-124.7 155.2 23.9 34.8 10.1 77 79 A E E -E 84 0A 62 7,-2.8 7,-2.3 -2,-0.3 2,-0.5 -0.978 25.4-162.9-109.7 128.1 27.2 33.1 9.5 78 80 A I E +E 83 0A 80 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.942 14.7 167.0-117.2 128.0 28.5 31.3 12.5 79 81 A Q E > -E 82 0A 98 3,-2.9 3,-0.5 -2,-0.5 -2,-0.0 -0.750 54.0 -88.6-125.0 179.1 32.1 30.1 13.0 80 82 A R T 3 S+ 0 0 198 -2,-0.2 -20,-0.1 1,-0.2 3,-0.0 0.847 124.5 11.2 -59.3 -34.7 33.9 28.8 16.0 81 83 A S T 3 S+ 0 0 60 1,-0.1 13,-0.5 -21,-0.0 2,-0.3 0.075 121.8 64.1-134.2 22.2 35.0 32.4 17.1 82 84 A M E < -EF 79 93A 28 -3,-0.5 -3,-2.9 11,-0.1 2,-0.4 -0.996 47.7-168.0-148.7 142.6 32.9 34.7 14.9 83 85 A I E -EF 78 92A 0 9,-1.2 9,-2.9 -2,-0.3 2,-0.4 -1.000 18.8-179.7-124.9 134.6 29.3 35.6 14.2 84 86 A R E -EF 77 91A 62 -7,-2.3 -7,-2.8 -2,-0.4 2,-0.4 -0.996 26.4-130.3-137.1 135.8 28.5 37.8 11.2 85 87 A H E > -E 76 0A 14 5,-2.2 4,-1.8 -2,-0.4 -9,-0.2 -0.719 14.0-147.5 -84.2 131.1 25.3 39.2 9.8 86 88 A L T 4 S+ 0 0 93 -11,-3.2 -10,-0.1 -2,-0.4 -1,-0.1 0.602 93.9 43.9 -75.9 -13.6 24.9 38.4 6.0 87 89 A G T 4 S+ 0 0 65 -12,-0.4 -1,-0.2 3,-0.0 -48,-0.1 0.874 127.3 21.4 -93.7 -51.6 23.0 41.6 5.3 88 90 A T T 4 S- 0 0 30 -50,-0.3 -2,-0.2 -47,-0.1 3,-0.1 0.637 92.1-128.3 -93.6 -16.9 24.9 44.3 7.2 89 91 A N < + 0 0 103 -4,-1.8 -3,-0.1 1,-0.2 -50,-0.1 0.588 49.1 164.6 69.6 13.3 28.3 42.5 7.6 90 92 A A - 0 0 0 -52,-0.5 -5,-2.2 -49,-0.1 2,-0.4 -0.294 20.0-157.7 -53.5 143.4 28.1 43.3 11.3 91 93 A E E -cF 44 84A 49 -48,-2.1 -46,-3.2 -7,-0.2 2,-0.4 -0.997 17.0-154.8-137.1 136.0 30.6 41.1 13.1 92 94 A F E -cF 45 83A 0 -9,-2.9 -9,-1.2 -2,-0.4 2,-0.3 -0.902 16.9-175.5-102.8 136.6 31.1 39.8 16.7 93 95 A M E -cF 46 82A 9 -48,-2.6 -46,-3.2 -2,-0.4 2,-0.4 -0.922 11.9-145.0-129.6 160.2 34.6 38.9 17.9 94 96 A F E +c 47 0A 9 -13,-0.5 2,-0.3 -2,-0.3 -46,-0.2 -0.967 24.3 157.1-136.4 116.8 35.7 37.4 21.2 95 97 A Y E -c 48 0A 55 -48,-2.1 -46,-1.2 -2,-0.4 2,-0.4 -0.992 34.2-133.0-140.0 147.1 38.8 38.0 23.3 96 98 A G E > -c 49 0A 0 -2,-0.3 4,-2.3 -44,-0.3 -46,-0.2 -0.807 18.9-142.3 -91.6 138.8 40.0 37.7 26.8 97 99 A I T 4 S+ 0 0 2 -48,-3.2 -47,-0.2 -2,-0.4 -46,-0.2 0.913 101.2 45.8 -72.7 -42.1 41.9 40.8 28.0 98 100 A K T 4 S+ 0 0 131 -48,-2.9 -1,-0.2 -49,-0.3 -47,-0.1 0.866 116.4 48.6 -62.4 -36.1 44.5 38.9 30.1 99 101 A N T 4 S+ 0 0 54 -49,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.903 126.3 16.0 -74.8 -45.4 45.0 36.5 27.1 100 102 A N X + 0 0 74 -4,-2.3 4,-2.3 1,-0.1 -1,-0.2 -0.477 61.9 148.0-133.9 65.6 45.4 38.9 24.2 101 103 A P H > S+ 0 0 41 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.862 81.9 52.6 -66.3 -32.1 46.1 42.5 25.2 102 104 A T H > S+ 0 0 115 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.924 110.1 45.8 -67.4 -46.6 48.2 42.9 22.0 103 105 A K H > S+ 0 0 90 2,-0.2 4,-0.7 1,-0.2 3,-0.2 0.931 113.2 51.7 -61.0 -44.3 45.5 41.7 19.7 104 106 A I H >< S+ 0 0 1 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.923 109.1 48.6 -60.0 -46.5 42.9 43.8 21.6 105 107 A K H 3< S+ 0 0 118 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.792 110.0 54.5 -62.9 -27.8 45.1 47.0 21.2 106 108 A S H 3< S+ 0 0 61 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.555 82.3 112.8 -85.4 -9.1 45.5 46.2 17.5 107 109 A L << - 0 0 12 -3,-1.2 2,-0.3 -4,-0.7 3,-0.2 -0.376 50.8-159.1 -67.7 140.5 41.8 46.0 16.8 108 110 A E + 0 0 151 1,-0.1 -2,-0.1 -2,-0.1 25,-0.0 -0.894 58.2 17.6-121.5 152.6 40.3 48.7 14.5 109 111 A G + 0 0 35 -2,-0.3 -65,-0.4 1,-0.2 2,-0.4 0.675 69.4 169.2 72.8 22.4 36.8 50.1 13.9 110 112 A I + 0 0 8 22,-0.2 25,-0.5 1,-0.2 -1,-0.2 -0.538 13.7 178.1 -73.8 126.1 35.1 48.7 17.0 111 113 A D + 0 0 30 -67,-2.3 28,-2.6 -2,-0.4 2,-0.4 0.790 68.6 19.9 -92.9 -37.7 31.7 50.3 17.6 112 114 A I E -dg 45 139A 11 -68,-1.8 -66,-2.7 26,-0.2 2,-0.5 -0.996 58.4-164.6-137.9 131.0 30.6 48.4 20.7 113 115 A C E -dg 46 140A 0 26,-2.6 28,-3.2 -2,-0.4 2,-0.7 -0.971 8.1-164.9-112.4 119.3 32.6 46.6 23.4 114 116 A W E -dg 47 141A 1 -68,-2.6 -66,-2.8 -2,-0.5 2,-0.7 -0.909 2.6-164.4-100.2 114.7 30.5 44.3 25.6 115 117 A V E -dg 48 142A 0 26,-3.1 28,-2.3 -2,-0.7 3,-0.4 -0.900 12.0-164.7 -97.5 114.2 32.5 43.3 28.7 116 118 A E + 0 0 34 -68,-2.0 -66,-0.4 -2,-0.7 28,-0.1 -0.683 67.7 16.8-101.6 155.0 30.8 40.4 30.4 117 119 A E S > S+ 0 0 79 26,-0.3 3,-2.0 -2,-0.2 -67,-0.3 0.921 77.4 172.1 50.2 47.2 31.4 39.0 33.9 118 120 A A G > + 0 0 0 25,-2.5 3,-1.3 -3,-0.4 26,-0.2 0.611 59.1 79.2 -70.3 -11.2 33.0 42.4 34.5 119 121 A E G 3 S+ 0 0 37 1,-0.3 -1,-0.3 24,-0.2 34,-0.2 0.746 93.7 54.3 -62.3 -21.0 33.3 41.9 38.3 120 122 A A G < S+ 0 0 37 -3,-2.0 2,-0.5 -4,-0.1 -1,-0.3 0.575 84.4 106.5 -86.6 -11.1 36.4 39.8 37.3 121 123 A V < - 0 0 5 -3,-1.3 32,-0.3 -4,-0.2 2,-0.1 -0.590 62.3-143.8 -82.2 123.1 38.0 42.6 35.3 122 124 A T > - 0 0 43 -2,-0.5 4,-2.2 30,-0.1 3,-0.2 -0.315 24.2-109.0 -82.7 162.8 41.0 44.2 36.9 123 125 A K H > S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.879 120.7 55.5 -55.0 -39.8 42.1 47.8 36.9 124 126 A E H > S+ 0 0 121 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.895 108.0 48.4 -61.4 -40.5 45.0 46.9 34.6 125 127 A S H > S+ 0 0 6 -3,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.879 110.6 49.4 -70.2 -40.4 42.6 45.3 32.1 126 128 A W H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.920 108.4 54.5 -61.8 -43.0 40.2 48.3 32.1 127 129 A D H < S+ 0 0 72 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.768 114.1 41.6 -65.3 -24.9 43.2 50.6 31.6 128 130 A I H < S+ 0 0 45 -4,-1.0 4,-0.4 -3,-0.2 -1,-0.2 0.879 119.7 42.7 -82.5 -44.8 44.2 48.5 28.5 129 131 A L H >X S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.2 4,-0.9 0.925 104.5 58.4 -72.8 -50.2 40.8 48.1 27.1 130 132 A I G >< S+ 0 0 24 -4,-2.6 3,-1.1 1,-0.3 -1,-0.2 0.879 102.2 52.5 -55.1 -46.1 39.1 51.5 27.4 131 133 A P G 34 S+ 0 0 87 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.693 103.3 61.1 -65.0 -17.2 41.6 53.5 25.4 132 134 A T G <4 S+ 0 0 16 -3,-1.4 2,-1.9 -4,-0.4 -22,-0.2 0.753 86.2 74.1 -79.6 -25.0 41.2 51.0 22.5 133 135 A I << + 0 0 2 -3,-1.1 -1,-0.2 -4,-0.9 -20,-0.1 -0.575 63.6 134.9 -85.6 77.5 37.5 51.7 22.1 134 136 A R + 0 0 155 -2,-1.9 -1,-0.2 2,-0.1 3,-0.1 0.406 17.3 121.2-117.3 0.2 38.3 55.1 20.5 135 137 A K S > S- 0 0 90 -25,-0.5 3,-2.1 -3,-0.2 -27,-0.0 -0.387 77.4 -94.1 -60.9 139.4 36.0 55.4 17.4 136 138 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.377 111.0 9.4 -54.5 134.0 33.7 58.4 17.5 137 139 A F T 3 S+ 0 0 200 1,-0.2 -124,-0.1 -3,-0.1 -2,-0.1 0.484 92.2 147.1 71.9 8.2 30.4 57.4 19.0 138 140 A S < - 0 0 4 -3,-2.1 2,-0.3 -28,-0.1 -1,-0.2 -0.362 34.0-146.0 -71.4 155.7 31.6 53.9 20.1 139 141 A E E - g 0 112A 25 -28,-2.6 -26,-2.6 -2,-0.0 2,-0.5 -0.911 12.5-146.7-129.3 150.4 30.1 52.4 23.3 140 142 A I E -ag 15 113A 0 -126,-2.8 -124,-2.4 -2,-0.3 2,-0.4 -0.978 17.0-167.1-117.7 116.4 31.2 50.2 26.2 141 143 A W E -ag 16 114A 10 -28,-3.2 -26,-3.1 -2,-0.5 2,-0.4 -0.874 7.5-169.3-105.9 137.3 28.5 48.0 27.6 142 144 A V E -ag 17 115A 0 -126,-3.1 -124,-3.0 -2,-0.4 2,-0.4 -0.987 11.5-175.0-135.2 127.7 29.2 46.3 30.9 143 145 A S E +a 18 0A 0 -28,-2.3 -25,-2.5 -2,-0.4 2,-0.3 -0.988 21.8 150.4-122.9 131.6 27.4 43.5 32.8 144 146 A F E -a 19 0A 2 -126,-2.0 -124,-1.4 -2,-0.4 -2,-0.0 -0.999 44.1-132.1-156.7 156.6 28.4 42.4 36.2 145 147 A N - 0 0 40 -2,-0.3 -124,-0.1 -126,-0.2 -126,-0.1 -0.967 46.5-115.3-106.3 115.4 27.5 40.9 39.6 146 148 A P + 0 0 5 0, 0.0 3,-0.1 0, 0.0 57,-0.1 -0.144 37.6 172.0 -54.9 140.1 29.0 43.0 42.4 147 149 A K - 0 0 107 1,-0.4 59,-3.2 58,-0.1 2,-0.4 0.548 66.5 -2.0-105.8 -93.5 31.6 41.4 44.6 148 150 A N B > -h 206 0B 44 57,-0.2 3,-1.6 -29,-0.1 -1,-0.4 -0.823 61.5-132.3-101.4 144.0 33.3 44.0 46.8 149 151 A I T 3 S+ 0 0 49 57,-2.7 10,-0.2 -2,-0.4 58,-0.1 0.784 108.4 56.8 -60.3 -26.3 32.4 47.7 46.7 150 152 A L T 3 S+ 0 0 69 56,-0.3 -1,-0.3 4,-0.1 2,-0.1 0.515 80.2 112.0 -86.8 -6.7 36.1 48.4 46.7 151 153 A D S X> S- 0 0 58 -3,-1.6 4,-2.5 1,-0.1 3,-0.5 -0.410 80.5-114.4 -66.7 146.5 36.8 46.4 43.6 152 154 A D H 3> S+ 0 0 42 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.814 111.9 55.3 -52.7 -42.6 37.8 48.5 40.6 153 155 A T H 3> S+ 0 0 3 -32,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.909 112.6 42.5 -61.9 -41.4 34.7 47.7 38.5 154 156 A Y H <>>S+ 0 0 26 -3,-0.5 4,-2.1 -6,-0.3 5,-1.7 0.905 116.7 47.6 -70.9 -42.5 32.4 48.8 41.2 155 157 A Q H <>S+ 0 0 50 -4,-2.5 5,-2.7 1,-0.2 -2,-0.2 0.931 112.9 50.4 -58.2 -46.1 34.5 51.9 42.0 156 158 A R H <5S+ 0 0 55 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.783 124.6 22.3 -68.3 -32.3 34.8 52.8 38.3 157 159 A F H <5S+ 0 0 2 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.622 132.8 25.4-116.2 -15.1 31.1 52.6 37.4 158 160 A V T <5S+ 0 0 38 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.1 0.775 124.5 34.1-116.8 -51.2 29.0 53.1 40.5 159 161 A V T - 0 0 18 -2,-0.4 3,-2.5 -151,-0.2 4,-0.1 -0.632 54.0 -83.0-122.2-176.6 17.9 41.5 39.9 172 174 A Y G > S+ 0 0 27 29,-0.7 3,-1.7 -150,-0.4 6,-0.2 0.810 123.6 67.3 -60.3 -27.0 15.8 38.3 39.7 173 175 A T G 3 S+ 0 0 92 1,-0.3 -1,-0.3 3,-0.0 -149,-0.1 0.640 99.7 49.8 -66.1 -16.4 12.8 40.4 40.9 174 176 A D G < S+ 0 0 61 -3,-2.5 -1,-0.3 1,-0.1 -169,-0.2 0.232 89.0 96.5-105.1 10.9 12.9 42.4 37.6 175 177 A N X - 0 0 23 -3,-1.7 3,-1.5 1,-0.1 -150,-0.1 -0.856 51.9-170.9-107.7 100.8 13.0 39.2 35.4 176 178 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -151,-0.1 0.572 90.4 48.4 -67.7 -9.1 9.5 38.3 34.2 177 179 A H T 3 S+ 0 0 159 -153,-0.1 -152,-0.0 -5,-0.1 3,-0.0 -0.172 75.9 161.8-120.7 38.3 10.9 35.0 32.9 178 180 A F < - 0 0 43 -3,-1.5 2,-0.1 -6,-0.2 -154,-0.1 -0.469 42.9-118.9 -62.8 115.6 12.9 34.0 36.0 179 181 A P >> - 0 0 54 0, 0.0 4,-2.2 0, 0.0 3,-1.1 -0.344 3.7-132.8 -68.2 135.7 13.5 30.3 35.6 180 182 A E H 3> S+ 0 0 101 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.820 107.7 62.4 -54.0 -34.9 12.1 27.8 38.1 181 183 A V H 3> S+ 0 0 105 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.878 110.5 38.5 -58.8 -39.5 15.5 26.1 38.2 182 184 A L H <> S+ 0 0 31 -3,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.785 109.6 59.9 -83.0 -29.5 17.0 29.4 39.6 183 185 A R H X S+ 0 0 95 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.910 104.0 53.2 -63.6 -40.1 14.0 30.2 41.8 184 186 A L H X S+ 0 0 97 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.903 111.0 45.1 -59.0 -44.4 14.6 26.9 43.6 185 187 A E H X S+ 0 0 74 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.918 112.3 52.9 -64.9 -43.9 18.3 27.9 44.2 186 188 A M H X S+ 0 0 4 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.923 110.2 44.6 -61.1 -47.7 17.4 31.4 45.3 187 189 A E H X S+ 0 0 80 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.893 110.8 55.0 -66.7 -40.2 14.8 30.3 48.0 188 190 A E H X S+ 0 0 97 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.938 113.9 41.5 -53.0 -50.0 17.1 27.6 49.3 189 191 A C H X S+ 0 0 8 -4,-2.2 4,-2.7 1,-0.2 8,-0.4 0.884 108.6 58.9 -68.5 -41.7 19.8 30.2 49.8 190 192 A K H < S+ 0 0 73 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.894 113.5 39.3 -55.7 -41.0 17.5 32.9 51.2 191 193 A R H < S+ 0 0 224 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.899 119.9 43.7 -76.2 -42.3 16.5 30.6 54.0 192 194 A R H < S+ 0 0 151 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.894 132.8 8.0 -74.7 -44.0 19.9 29.0 54.7 193 195 A N X - 0 0 25 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.3 -0.739 62.0-177.0-145.6 88.3 22.1 32.1 54.6 194 196 A P H > S+ 0 0 66 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.862 86.0 51.9 -58.4 -41.1 20.3 35.4 54.4 195 197 A T H > S+ 0 0 42 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.905 111.8 46.0 -61.9 -43.4 23.4 37.5 54.2 196 198 A L H > S+ 0 0 63 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.887 109.1 56.7 -68.0 -37.9 24.8 35.4 51.3 197 199 A Y H X>S+ 0 0 21 -4,-2.5 4,-2.6 -8,-0.4 5,-1.1 0.909 104.6 51.3 -58.4 -44.3 21.4 35.6 49.6 198 200 A R H X5S+ 0 0 96 -4,-2.1 6,-2.5 3,-0.2 4,-0.5 0.879 114.9 44.0 -63.7 -35.6 21.5 39.4 49.6 199 201 A H H <5S+ 0 0 46 -4,-1.5 4,-0.3 4,-0.2 -2,-0.2 0.952 124.2 31.6 -71.3 -51.9 25.0 39.3 48.0 200 202 A I H <5S+ 0 0 60 -4,-3.2 -178,-2.1 3,-0.1 -3,-0.2 0.929 133.8 25.5 -75.1 -46.2 24.4 36.6 45.4 201 203 A W H <5S+ 0 0 7 -4,-2.6 -29,-0.7 -5,-0.3 -180,-0.4 0.709 129.1 37.9 -98.8 -23.8 20.7 37.1 44.6 202 204 A L S < - 0 0 39 189,-0.4 3,-1.6 -2,-0.1 -1,-0.1 -0.381 18.9-120.1 -63.7 149.4 30.0 47.9 58.3 210 212 A D T 3 S+ 0 0 150 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.667 118.8 55.9 -63.9 -14.0 29.8 51.3 59.9 211 213 A M T 3 S+ 0 0 45 191,-0.0 191,-3.3 190,-0.0 -1,-0.3 0.411 80.9 121.9 -97.3 -0.2 30.8 49.3 63.0 212 214 A A B < -I 401 0C 27 -3,-1.6 189,-0.2 189,-0.3 3,-0.1 -0.329 46.8-161.6 -63.5 145.1 34.0 47.9 61.4 213 215 A I S S+ 0 0 14 187,-1.8 2,-0.4 184,-0.3 -1,-0.1 0.630 72.2 50.2-104.4 -16.7 37.2 48.7 63.3 214 216 A I S S- 0 0 1 186,-0.5 2,-0.3 183,-0.3 -1,-0.2 -0.985 73.6-147.6-129.1 120.0 39.9 48.0 60.6 215 217 A K >> - 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