==== 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 LYASE 16-AUG-07 2V8Z . COMPND 2 MOLECULE: YAGE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.MANICKA,Y.PELEG,T.UNGER,S.ALBECK,O.DYM,H.M.GREENBLATT,G.BO . 1192 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38133.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 886 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 134 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.0 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 . 4 0.3 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 . 4 0.3 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 . 78 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 459 38.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 38 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 4 0 4 0 0 0 8 0 4 15 9 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 10 8 8 4 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 . 6 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 2 0 0 0 0 0 4 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 12 A A 0 0 68 0, 0.0 3,-0.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 121.0 -8.7 14.4 -35.5 2 13 A L + 0 0 80 183,-0.5 185,-0.0 158,-0.3 0, 0.0 -0.532 360.0 15.0 -89.8 152.7 -5.3 15.8 -34.5 3 14 A F S S+ 0 0 21 -2,-0.2 -1,-0.2 1,-0.1 2,-0.2 0.878 82.0 157.4 54.3 47.1 -3.9 16.2 -30.9 4 15 A T + 0 0 37 -3,-0.4 2,-0.2 34,-0.1 202,-0.2 -0.593 38.0 27.1 -94.1 161.3 -6.6 14.1 -29.1 5 16 A G E S-a 206 0A 0 200,-2.8 202,-1.5 -2,-0.2 2,-0.7 -0.593 110.1 -9.1 95.4-150.5 -6.1 12.4 -25.7 6 17 A I E +a 207 0A 4 -2,-0.2 32,-2.2 200,-0.2 33,-0.9 -0.819 60.5 167.5 -95.3 110.3 -3.9 13.5 -22.8 7 18 A I - 0 0 2 200,-2.4 33,-0.2 -2,-0.7 205,-0.1 -0.892 24.4-146.4-124.5 94.8 -1.5 16.3 -23.8 8 19 A P - 0 0 1 0, 0.0 33,-2.7 0, 0.0 2,-1.3 -0.293 16.5-126.6 -63.0 145.2 0.2 17.9 -20.8 9 20 A P E -b 41 0A 11 0, 0.0 33,-0.2 0, 0.0 204,-0.1 -0.795 42.6-139.9 -83.5 89.1 1.1 21.6 -20.6 10 21 A V E -b 42 0A 0 31,-1.6 33,-0.5 -2,-1.3 34,-0.4 -0.273 6.6-122.7 -57.6 131.2 4.7 20.8 -19.7 11 22 A S - 0 0 1 199,-0.1 2,-0.6 31,-0.1 36,-0.2 -0.525 20.2-127.1 -65.0 141.2 6.4 22.9 -17.0 12 23 A T - 0 0 4 34,-0.5 2,-0.4 -2,-0.2 -1,-0.0 -0.851 24.6-140.6 -87.9 122.2 9.6 24.6 -18.2 13 24 A I - 0 0 0 -2,-0.6 8,-2.8 8,-0.3 2,-0.3 -0.738 22.0-170.8 -86.0 129.4 12.3 23.7 -15.6 14 25 A F B -IJ 20 272B 3 258,-0.6 258,-0.6 -2,-0.4 6,-0.2 -0.907 19.8-124.6-117.5 150.5 14.7 26.6 -14.7 15 26 A T > - 0 0 39 4,-2.8 3,-2.4 -2,-0.3 6,-0.1 -0.277 45.6 -90.7 -75.4 174.0 17.9 26.8 -12.7 16 27 A A T 3 S+ 0 0 87 1,-0.3 257,-0.1 2,-0.2 -1,-0.1 0.674 130.0 57.7 -67.4 -18.5 18.2 29.2 -9.7 17 28 A D T 3 S- 0 0 125 2,-0.1 -1,-0.3 255,-0.0 -2,-0.0 0.322 121.6-110.2 -86.9 8.0 19.6 31.8 -12.1 18 29 A G S < S+ 0 0 3 -3,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.830 73.5 136.5 66.8 34.7 16.4 31.5 -14.2 19 30 A Q - 0 0 112 1,-0.1 -4,-2.8 -4,-0.1 -1,-0.3 -0.863 69.5 -80.9-105.7 147.5 18.0 29.8 -17.1 20 31 A L B -I 14 0B 33 -2,-0.3 2,-1.0 -6,-0.2 -6,-0.3 -0.228 39.9-143.1 -44.2 114.8 16.6 26.7 -18.9 21 32 A D > - 0 0 32 -8,-2.8 4,-2.5 1,-0.2 -8,-0.3 -0.789 20.0-174.3 -83.8 102.7 17.4 23.7 -16.9 22 33 A K H > S+ 0 0 113 -2,-1.0 4,-2.4 2,-0.2 5,-0.2 0.940 77.6 46.2 -71.9 -51.6 18.1 21.2 -19.7 23 34 A P H > S+ 0 0 102 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.942 116.0 49.2 -54.2 -46.9 18.6 17.9 -17.7 24 35 A G H > S+ 0 0 8 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.926 113.7 42.6 -58.6 -53.1 15.6 18.7 -15.6 25 36 A T H X S+ 0 0 4 -4,-2.5 4,-2.3 -12,-0.2 -1,-0.2 0.852 114.5 52.0 -69.6 -27.2 13.2 19.5 -18.5 26 37 A A H X S+ 0 0 12 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.950 108.4 51.7 -65.3 -48.3 14.5 16.5 -20.4 27 38 A A H X S+ 0 0 21 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.902 111.1 47.6 -54.3 -46.8 13.9 14.3 -17.4 28 39 A L H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.919 110.4 50.6 -59.7 -50.6 10.3 15.6 -17.2 29 40 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.948 112.4 48.5 -48.2 -52.4 9.6 15.1 -20.9 30 41 A D H X S+ 0 0 53 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.908 109.1 52.0 -62.0 -44.7 10.9 11.5 -20.6 31 42 A D H X S+ 0 0 51 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.913 112.4 47.2 -50.6 -46.4 8.7 10.8 -17.5 32 43 A L H <>S+ 0 0 1 -4,-2.3 5,-1.6 2,-0.2 -2,-0.2 0.899 110.9 48.3 -69.2 -44.9 5.7 12.0 -19.5 33 44 A I H ><5S+ 0 0 33 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.942 112.9 49.2 -59.2 -48.8 6.3 10.0 -22.7 34 45 A K H 3<5S+ 0 0 189 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.795 101.9 62.9 -59.1 -35.8 6.9 6.9 -20.7 35 46 A A T 3<5S- 0 0 32 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.493 121.3-109.8 -70.1 -4.7 3.6 7.5 -18.7 36 47 A G T < 5 + 0 0 39 -3,-1.7 -30,-0.2 -4,-0.2 -3,-0.2 0.720 54.3 169.6 87.0 23.0 1.9 7.2 -22.1 37 48 A V < - 0 0 8 -5,-1.6 -30,-0.2 1,-0.1 -1,-0.2 -0.268 36.5-132.9 -64.4 154.1 0.7 10.7 -22.9 38 49 A D S S- 0 0 51 -32,-2.2 2,-0.3 1,-0.2 -31,-0.2 0.474 77.1 -23.6 -90.2 -7.3 -0.6 11.4 -26.4 39 50 A G - 0 0 0 -33,-0.9 2,-0.4 33,-0.2 35,-0.2 -0.949 61.6-114.1 179.9 179.1 1.4 14.6 -27.0 40 51 A L E - c 0 74A 0 33,-2.1 35,-3.2 -2,-0.3 2,-0.6 -0.998 12.8-157.0-138.3 135.5 3.2 17.4 -25.2 41 52 A F E -bc 9 75A 0 -33,-2.7 -31,-1.6 -2,-0.4 3,-0.4 -0.943 14.5-167.2-113.9 112.5 2.4 21.2 -25.2 42 53 A F E +bc 10 76A 3 33,-2.8 35,-2.5 -2,-0.6 -31,-0.1 -0.784 64.6 20.7-100.2 144.9 5.4 23.5 -24.4 43 54 A L S S+ 0 0 2 -33,-0.5 -1,-0.2 -2,-0.3 2,-0.1 0.867 81.4 138.0 67.5 39.6 5.1 27.2 -23.5 44 55 A G S >S- 0 0 1 -3,-0.4 5,-1.7 -34,-0.4 4,-0.3 -0.167 78.8 -73.0 -82.0-166.4 1.5 27.2 -22.4 45 56 A S T > 5S+ 0 0 5 1,-0.2 3,-1.1 2,-0.2 5,-0.1 0.904 140.5 45.6 -55.2 -47.2 0.4 29.2 -19.3 46 57 A G T 3 5S+ 0 0 15 1,-0.2 -34,-0.5 2,-0.1 -1,-0.2 0.638 105.4 61.8 -73.4 -17.1 2.0 26.6 -17.1 47 58 A G T 3 5S- 0 0 0 -3,-0.2 -1,-0.2 -36,-0.2 -2,-0.2 0.470 112.6-122.2 -82.8 -6.1 5.1 26.6 -19.3 48 59 A E T X 5 + 0 0 0 -3,-1.1 3,-1.9 -4,-0.3 4,-0.4 0.727 55.5 155.6 72.0 29.1 5.5 30.4 -18.3 49 60 A F G > - 0 0 13 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.495 34.2-101.3 -85.6 166.5 11.2 36.8 -24.0 54 65 A A H > S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.847 122.0 47.7 -52.2 -46.4 11.0 35.8 -27.7 55 66 A E H > S+ 0 0 124 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.847 112.2 49.6 -71.4 -34.8 14.6 34.5 -27.9 56 67 A E H > S+ 0 0 56 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.940 110.1 51.6 -61.5 -47.9 14.2 32.4 -24.7 57 68 A R H X S+ 0 0 10 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.909 110.3 49.5 -56.6 -43.8 10.9 31.0 -26.1 58 69 A K H X S+ 0 0 35 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.912 111.7 46.6 -60.5 -44.8 12.7 30.0 -29.3 59 70 A A H X S+ 0 0 43 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.899 113.7 48.5 -71.9 -36.8 15.6 28.3 -27.5 60 71 A I H X S+ 0 0 8 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.931 111.6 49.7 -64.0 -45.8 13.2 26.4 -25.2 61 72 A A H X S+ 0 0 2 -4,-2.6 4,-3.1 -5,-0.2 5,-0.3 0.952 112.6 48.5 -57.8 -48.8 11.0 25.3 -28.2 62 73 A R H X S+ 0 0 134 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.946 112.7 45.6 -55.3 -56.5 14.1 24.1 -30.0 63 74 A F H X S+ 0 0 37 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.904 116.6 47.2 -53.6 -44.7 15.5 22.2 -27.0 64 75 A A H X S+ 0 0 1 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.925 112.3 45.9 -67.4 -49.2 12.1 20.6 -26.3 65 76 A I H X>S+ 0 0 14 -4,-3.1 4,-1.7 -5,-0.2 5,-0.6 0.900 115.4 49.8 -58.6 -43.1 11.2 19.6 -29.9 66 77 A D H <5S+ 0 0 97 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.921 110.6 48.1 -61.1 -50.5 14.7 18.1 -30.3 67 78 A H H <5S+ 0 0 55 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.870 107.9 53.9 -62.6 -38.5 14.6 16.2 -27.0 68 79 A V H ><5S- 0 0 0 -4,-2.2 3,-2.0 -5,-0.1 -1,-0.2 0.881 86.9-166.7 -62.8 -36.7 11.1 14.7 -27.8 69 80 A D T 3<5 - 0 0 122 -4,-1.7 -3,-0.1 1,-0.3 -2,-0.1 0.898 65.4 -60.6 51.4 43.2 12.7 13.6 -31.1 70 81 A R T 3 - 0 0 10 1,-0.2 4,-1.7 269,-0.1 268,-0.1 -0.785 62.6-168.0 -93.1 106.2 2.6 41.4 -30.1 83 94 A A H > S+ 0 0 0 491,-1.0 4,-2.1 -2,-0.8 -1,-0.2 0.818 85.0 56.1 -70.0 -33.4 1.2 39.9 -33.3 84 95 A R H > S+ 0 0 70 490,-0.4 4,-2.1 266,-0.3 -1,-0.2 0.896 110.2 46.9 -62.4 -42.5 4.4 40.3 -35.4 85 96 A E H > S+ 0 0 47 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.811 106.7 57.1 -66.7 -37.5 6.2 38.2 -32.7 86 97 A T H X S+ 0 0 2 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.936 110.0 45.4 -57.8 -47.4 3.4 35.6 -32.7 87 98 A I H X S+ 0 0 41 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.917 112.9 50.5 -61.0 -44.5 4.0 35.1 -36.4 88 99 A E H X S+ 0 0 78 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.902 114.4 43.9 -58.5 -44.4 7.8 35.0 -35.8 89 100 A L H X S+ 0 0 8 -4,-2.9 4,-2.3 -11,-0.2 -2,-0.2 0.844 113.6 51.0 -70.6 -35.8 7.4 32.4 -33.0 90 101 A S H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.897 112.1 46.1 -68.3 -41.6 4.9 30.4 -35.1 91 102 A Q H X S+ 0 0 97 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.857 112.1 51.8 -69.9 -35.4 7.2 30.3 -38.1 92 103 A H H X S+ 0 0 42 -4,-1.8 4,-2.9 -5,-0.2 -2,-0.2 0.938 107.8 51.7 -64.1 -47.8 10.1 29.4 -35.8 93 104 A A H X>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 4,-0.7 0.917 112.3 45.8 -55.1 -46.8 8.1 26.5 -34.3 94 105 A Q H ><5S+ 0 0 55 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.943 114.3 48.3 -61.1 -49.2 7.3 25.1 -37.8 95 106 A Q H 3<5S+ 0 0 154 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.864 108.9 54.1 -56.1 -39.5 10.9 25.6 -38.9 96 107 A A H 3<5S- 0 0 27 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.529 124.7-100.5 -78.9 -10.2 12.2 23.8 -35.7 97 108 A G T <<5 + 0 0 32 -3,-1.0 -3,-0.2 -4,-0.7 -23,-0.2 0.597 64.6 157.5 103.8 17.2 10.0 20.8 -36.4 98 109 A A < - 0 0 5 -5,-2.5 -1,-0.2 -6,-0.2 -23,-0.2 -0.240 39.9-139.5 -60.7 157.3 6.9 21.3 -34.1 99 110 A D S S- 0 0 31 -25,-2.3 2,-0.3 1,-0.3 -24,-0.2 0.602 74.8 -11.3 -97.4 -15.2 3.8 19.4 -35.1 100 111 A G E -d 75 0A 0 -26,-1.2 -24,-1.7 29,-0.1 2,-0.3 -0.979 60.3-123.4-168.5 168.6 1.4 22.3 -34.3 101 112 A I E -de 76 131A 0 29,-2.0 31,-2.9 -2,-0.3 2,-0.5 -0.901 11.0-147.0-120.2 151.1 1.0 25.6 -32.6 102 113 A V E -de 77 132A 1 -26,-2.4 -24,-1.6 -2,-0.3 -23,-0.8 -0.985 18.4-164.7-115.8 126.7 -1.4 26.8 -29.8 103 114 A V E - e 0 133A 0 29,-2.7 31,-1.6 -2,-0.5 2,-0.2 -0.946 6.0-160.2-126.8 114.1 -2.5 30.4 -30.1 104 115 A I E - e 0 134A 2 -2,-0.5 -24,-0.5 29,-0.2 31,-0.2 -0.518 33.3-103.1 -82.5 151.1 -4.2 32.4 -27.3 105 116 A N - 0 0 0 29,-0.9 -1,-0.1 -2,-0.2 37,-0.1 -0.399 52.8 -81.0 -68.3 151.8 -6.2 35.6 -28.2 106 117 A P - 0 0 4 0, 0.0 5,-0.2 0, 0.0 -25,-0.2 -0.407 45.8-165.0 -57.0 136.2 -4.4 38.9 -27.4 107 118 A Y S S+ 0 0 6 3,-0.1 3,-0.1 -27,-0.1 -26,-0.1 0.170 71.6 57.7-120.8 11.0 -4.9 39.6 -23.7 108 119 A Y S S+ 0 0 0 1,-0.5 2,-0.2 -28,-0.1 -27,-0.0 0.673 113.8 28.1 -92.0 -89.2 -4.0 43.2 -23.2 109 120 A W S S- 0 0 19 -28,-0.1 2,-1.0 1,-0.1 -1,-0.5 -0.518 81.2-136.8 -61.5 133.7 -6.4 45.0 -25.6 110 121 A K - 0 0 44 -2,-0.2 -3,-0.1 -3,-0.1 3,-0.1 -0.840 35.7-146.0 -94.8 94.2 -9.6 43.0 -26.1 111 122 A V - 0 0 3 -2,-1.0 5,-0.1 -5,-0.2 465,-0.1 -0.100 17.2 -89.7 -71.4 151.5 -9.6 43.6 -29.8 112 123 A S > - 0 0 29 439,-2.7 4,-2.0 1,-0.1 -1,-0.1 -0.157 39.7-109.2 -51.9 156.4 -12.8 44.0 -31.9 113 124 A E H > S+ 0 0 130 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.931 121.0 54.3 -55.6 -47.5 -14.2 40.9 -33.3 114 125 A A H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 112.2 44.4 -52.3 -47.4 -13.1 42.0 -36.9 115 126 A N H > S+ 0 0 6 436,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.792 112.8 52.5 -64.9 -32.3 -9.5 42.4 -35.5 116 127 A L H X S+ 0 0 6 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.942 110.8 44.4 -70.4 -52.1 -9.7 39.1 -33.7 117 128 A I H X S+ 0 0 28 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.927 115.0 51.0 -53.6 -48.4 -10.8 37.1 -36.7 118 129 A R H X S+ 0 0 42 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.902 109.1 51.3 -58.8 -46.4 -8.1 38.9 -38.7 119 130 A Y H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.932 112.3 44.1 -55.7 -52.6 -5.4 38.2 -36.1 120 131 A F H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.867 113.8 50.5 -65.0 -38.2 -6.2 34.4 -36.0 121 132 A E H X S+ 0 0 44 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.866 110.0 52.0 -65.7 -38.0 -6.4 34.2 -39.9 122 133 A Q H X S+ 0 0 83 -4,-2.4 4,-0.7 -5,-0.2 -2,-0.2 0.891 112.9 42.1 -67.5 -40.3 -3.0 36.0 -40.2 123 134 A V H >X S+ 0 0 1 -4,-2.1 3,-0.6 2,-0.2 4,-0.5 0.921 114.0 52.3 -74.6 -37.4 -1.2 33.6 -37.8 124 135 A A H >< S+ 0 0 1 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.875 110.9 48.5 -57.0 -41.3 -2.9 30.6 -39.4 125 136 A D H 3< S+ 0 0 94 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.645 99.3 69.1 -73.1 -16.0 -1.7 31.8 -42.8 126 137 A S H << S+ 0 0 19 -4,-0.7 2,-0.3 -3,-0.6 -1,-0.2 0.691 106.2 34.9 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208 219 A I + 0 0 0 -18,-2.7 2,-0.3 -2,-0.3 -202,-0.1 -0.893 47.2 150.7-122.6 90.2 -4.4 19.8 -21.6 209 220 A S > - 0 0 6 -2,-0.5 3,-2.1 -17,-0.1 4,-0.2 -0.952 57.8-113.2-134.8 152.1 -4.3 20.2 -17.9 210 221 A A G > S+ 0 0 16 -19,-0.4 3,-2.3 -2,-0.3 4,-0.4 0.754 108.8 65.2 -50.9 -37.6 -1.7 20.9 -15.2 211 222 A S G 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 3,-0.3 0.668 80.9 82.1 -69.2 -13.4 -2.0 17.5 -13.4 212 223 A G G <4 S+ 0 0 1 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.746 89.2 57.3 -51.2 -24.5 -0.6 16.0 -16.6 213 224 A N T <4 S+ 0 0 6 -3,-2.3 -1,-0.2 -4,-0.2 -2,-0.2 0.893 122.9 13.3 -78.1 -43.6 2.8 17.1 -15.2 214 225 A F T 4 S+ 0 0 10 -4,-0.4 -2,-0.2 -3,-0.3 -3,-0.1 0.527 138.5 31.4-116.7 -16.5 2.9 15.3 -11.8 215 226 A A >X + 0 0 0 -4,-2.5 3,-1.1 -5,-0.1 4,-0.8 -0.311 66.3 147.3-135.7 54.4 0.0 12.7 -12.0 216 227 A P H >> + 0 0 12 0, 0.0 4,-2.8 0, 0.0 3,-0.6 0.869 65.9 67.4 -58.6 -38.1 -0.1 11.8 -15.8 217 228 A Q H 3> S+ 0 0 77 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.739 93.5 58.3 -53.0 -34.2 -1.3 8.2 -15.0 218 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+ 0 0 34 -2,-0.6 -11,-0.1 -258,-0.1 9,-0.1 0.176 40.7 144.5 -47.8 0.3 -34.8 57.1 10.9 1169 283 D H - 0 0 58 -258,-0.5 -258,-0.5 -13,-0.1 2,-0.3 -0.279 29.6-168.0 -50.7 126.2 -36.4 53.7 11.0 1170 284 D V - 0 0 7 -260,-0.1 -2,-0.0 -257,-0.1 -260,-0.0 -0.921 21.9-109.1-117.1 154.2 -35.5 51.7 7.9 1171 285 D L > - 0 0 0 -2,-0.3 3,-1.7 1,-0.1 -222,-0.1 -0.519 52.5 -64.8 -85.3 142.7 -37.1 48.4 6.8 1172 286 D P T 3 S+ 0 0 31 0, 0.0 -491,-1.3 0, 0.0 -490,-0.5 -0.346 117.9 37.4 -58.4 141.9 -35.3 45.0 6.9 1173 287 D P T 3 S+ 0 0 10 0, 0.0 -456,-0.2 0, 0.0 2,-0.1 -0.953 112.2 72.0 -89.5 9.6 -32.9 43.8 5.6 1174 288 D A S < S- 0 0 8 -3,-1.7 -23,-0.1 -465,-0.1 -4,-0.1 -0.386 73.2-161.3 -65.3 162.9 -31.5 47.4 6.0 1175 289 D S - 0 0 35 -25,-0.3 -22,-0.2 -3,-0.1 -4,-0.1 -0.950 25.3 -70.0-144.1 164.1 -30.6 48.3 9.6 1176 290 D P - 0 0 107 0, 0.0 2,-0.4 0, 0.0 -7,-0.1 -0.200 48.9-115.6 -48.1 140.5 -29.9 51.3 11.9 1177 291 D L - 0 0 7 -9,-0.1 -29,-0.1 -24,-0.1 -9,-0.0 -0.708 37.6-120.6 -75.4 128.8 -26.7 53.2 11.3 1178 292 D D > - 0 0 75 -2,-0.4 4,-1.9 1,-0.1 5,-0.1 -0.147 22.0-104.0 -66.5 166.7 -24.5 52.8 14.5 1179 293 D E H > S+ 0 0 128 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.910 118.4 52.7 -58.8 -50.3 -23.3 55.8 16.6 1180 294 D P H > S+ 0 0 92 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.928 112.6 45.7 -48.8 -48.2 -19.7 55.8 15.3 1181 295 D R H > S+ 0 0 100 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.801 109.8 53.6 -71.2 -33.8 -21.0 55.9 11.6 1182 296 D K H X S+ 0 0 56 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.871 109.2 49.8 -61.6 -41.8 -23.5 58.6 12.5 1183 297 D A H X S+ 0 0 55 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.913 109.9 50.7 -60.8 -43.8 -20.6 60.7 14.0 1184 298 D Q H X S+ 0 0 104 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.926 110.3 50.2 -58.6 -45.8 -18.6 60.1 10.7 1185 299 D L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.907 108.6 52.0 -59.4 -47.0 -21.6 61.3 8.7 1186 300 D K H X S+ 0 0 98 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.924 108.7 49.6 -55.1 -48.2 -21.9 64.4 10.8 1187 301 D T H X S+ 0 0 77 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.848 110.4 52.0 -66.2 -34.2 -18.2 65.3 10.3 1188 302 D L H X S+ 0 0 16 -4,-2.1 4,-1.4 -5,-0.2 3,-0.5 0.945 112.6 44.1 -60.6 -50.7 -18.7 64.8 6.5 1189 303 D L H <>S+ 0 0 0 -4,-2.5 5,-3.0 1,-0.2 6,-0.7 0.888 114.8 50.7 -60.1 -39.4 -21.7 67.1 6.5 1190 304 D Q H ><5S+ 0 0 101 -4,-2.9 3,-0.8 3,-0.2 -1,-0.2 0.825 108.1 51.3 -55.2 -35.5 -19.8 69.7 8.8 1191 305 D Q H 3<5S+ 0 0 127 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.774 113.0 44.5-102.9 -31.4 -16.8 69.6 6.5 1192 306 D L T 3<5S- 0 0 26 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.303 113.6-120.0 -87.7 6.7 -19.1 70.4 3.4 1193 307 D K T < 5S+ 0 0 179 -3,-0.8 -3,-0.2 2,-0.1 -2,-0.1 0.791 75.0 131.6 51.6 40.1 -21.0 73.0 5.5 1194 308 D L < 0 0 20 -5,-3.0 -4,-0.2 -6,-0.1 -5,-0.1 0.553 360.0 360.0 -93.1 -14.6 -24.3 71.2 5.0 1195 309 D C 0 0 68 -6,-0.7 -33,-0.1 -9,-0.1 -2,-0.1 -0.868 360.0 360.0-157.3 360.0 -24.9 71.4 8.7