==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEOTIDE-BINDING PROTEIN, METAL-BINDIN31-DEC-09 3L8N . COMPND 2 MOLECULE: BREFELDIN A-INHIBITED GUANINE NUCLEOTIDE-EXCHANGE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.SEETHARAMAN,M.SU,F.FOROUHAR,D.WANG,H.JANJUA,K.CUNNINGHAM, . 179 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10366.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 57.0 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 . 2 1.1 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 2 1.1 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 . 10 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 1 1 2 0 0 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 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 . 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 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 6 A I 0 0 138 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-163.4 20.8 45.2 17.5 2 7 A K + 0 0 107 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.760 360.0 84.5 -87.0 -28.6 21.4 41.8 19.1 3 8 A Q S S- 0 0 148 1,-0.1 2,-0.2 2,-0.0 0, 0.0 0.275 75.2-131.3 -57.7-166.7 17.9 40.5 18.4 4 9 A Q + 0 0 86 2,-0.1 -1,-0.1 3,-0.0 -2,-0.0 -0.754 25.4 174.1-157.5 97.1 16.8 38.9 15.1 5 10 A K + 0 0 69 -2,-0.2 2,-0.1 0, 0.0 -2,-0.0 0.044 37.3 145.0 -94.0 24.8 13.7 40.3 13.5 6 11 A E - 0 0 55 1,-0.1 -2,-0.1 2,-0.1 25,-0.0 -0.397 48.8-138.3 -66.6 136.3 14.5 38.1 10.6 7 12 A I + 0 0 65 1,-0.1 -1,-0.1 -2,-0.1 19,-0.0 0.952 50.2 137.1 -55.3 -91.8 11.5 36.4 8.7 8 13 A I + 0 0 37 1,-0.2 -1,-0.1 17,-0.1 -2,-0.1 0.609 69.7 61.8 50.6 21.7 12.6 32.9 7.9 9 14 A E S > S+ 0 0 126 3,-0.1 4,-2.0 2,-0.1 -1,-0.2 0.390 91.9 59.0-140.7 -23.7 9.2 31.5 8.9 10 15 A H H > S+ 0 0 100 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.780 105.7 53.4 -75.2 -32.4 7.2 33.2 6.3 11 16 A G H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.817 107.6 52.0 -69.1 -29.5 9.4 31.4 3.9 12 17 A I H > S+ 0 0 11 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.911 107.8 48.4 -73.1 -43.9 8.4 28.3 5.8 13 18 A E H < S+ 0 0 69 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.860 115.9 47.7 -64.1 -31.8 4.7 29.0 5.4 14 19 A L H >X S+ 0 0 61 -4,-1.7 4,-3.6 2,-0.2 3,-0.6 0.771 106.8 53.8 -75.9 -33.6 5.5 29.6 1.7 15 20 A F H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.837 103.5 57.9 -70.3 -35.2 7.5 26.5 1.2 16 21 A N T 3< S+ 0 0 61 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.566 117.4 33.3 -72.6 -9.7 4.7 24.5 2.6 17 22 A K T <4 S+ 0 0 66 -3,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.707 140.5 8.9-109.3 -44.7 2.4 25.9 -0.1 18 23 A K >X - 0 0 24 -4,-3.6 4,-2.5 1,-0.1 3,-0.8 -0.817 57.8-165.9-143.7 101.4 4.9 26.2 -2.9 19 24 A P H 3> S+ 0 0 28 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.849 92.8 53.2 -51.9 -38.8 8.4 24.8 -2.5 20 25 A K H 34 S+ 0 0 181 1,-0.2 -5,-0.1 2,-0.2 -6,-0.0 0.805 114.1 40.9 -68.3 -32.3 9.7 26.8 -5.5 21 26 A R H X> S+ 0 0 51 -3,-0.8 4,-1.6 -7,-0.3 3,-0.7 0.801 113.9 54.1 -84.9 -32.6 8.5 30.1 -4.1 22 27 A G H 3X S+ 0 0 0 -4,-2.5 4,-1.2 -8,-0.4 -7,-0.2 0.909 106.6 47.9 -68.7 -44.4 9.6 29.3 -0.6 23 28 A I H 3< S+ 0 0 10 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.1 0.310 115.3 48.3 -81.4 9.6 13.3 28.4 -1.3 24 29 A Q H <> S+ 0 0 122 -3,-0.7 4,-0.8 2,-0.1 -1,-0.2 0.668 103.0 57.1-114.9 -34.3 13.6 31.6 -3.4 25 30 A F H X S+ 0 0 54 -4,-1.6 4,-1.8 2,-0.2 5,-0.2 0.863 107.4 50.9 -64.3 -41.3 12.0 34.2 -1.0 26 31 A L H X>S+ 0 0 4 -4,-1.2 5,-3.9 1,-0.2 6,-1.3 0.848 112.1 46.4 -65.7 -35.3 14.6 33.2 1.6 27 32 A Q H 45S+ 0 0 64 3,-0.2 -1,-0.2 4,-0.2 -2,-0.2 0.645 107.7 60.5 -80.9 -15.9 17.3 33.7 -0.9 28 33 A E H <5S+ 0 0 59 -4,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.896 111.2 34.9 -75.9 -46.1 15.6 37.0 -1.9 29 34 A Q H <5S- 0 0 120 -4,-1.8 -2,-0.2 -5,-0.0 -1,-0.2 0.538 123.6-104.0 -83.1 -12.8 15.9 38.7 1.5 30 35 A G T <5S+ 0 0 56 -4,-0.6 -3,-0.2 -5,-0.2 3,-0.1 0.922 87.3 115.6 88.9 51.0 19.2 36.9 2.0 31 36 A X S >S+ 0 0 107 4,-0.1 4,-0.7 -7,-0.1 5,-0.7 0.573 73.8 64.4 -79.2-129.2 22.3 29.7 -3.6 35 40 A S T 45S- 0 0 60 1,-0.2 4,-0.2 3,-0.1 33,-0.0 0.067 98.1 -85.2 37.8-147.6 24.2 26.7 -5.0 36 41 A V T >5S+ 0 0 41 2,-0.1 4,-2.0 3,-0.1 5,-0.2 0.554 118.0 68.3-125.5 -21.3 22.9 23.3 -3.8 37 42 A E T 45S+ 0 0 40 2,-0.2 4,-0.5 3,-0.2 -2,-0.1 0.706 102.8 51.1 -73.5 -20.2 24.8 22.7 -0.6 38 43 A D T <5S+ 0 0 67 -4,-0.7 -1,-0.2 2,-0.2 -3,-0.1 0.925 114.3 39.1 -78.9 -51.6 22.7 25.6 0.9 39 44 A I T >> S+ 0 0 26 -3,-0.9 4,-1.2 3,-0.2 -2,-0.2 0.700 105.9 47.3-114.9 -40.4 18.2 23.5 4.6 43 48 A L H < S+ 0 0 8 -4,-1.7 -2,-0.1 1,-0.2 -3,-0.1 0.855 121.0 41.8 -69.6 -33.5 15.8 20.6 3.9 44 49 A H T < S+ 0 0 44 -4,-1.0 -1,-0.2 -5,-0.2 3,-0.2 0.746 123.0 37.2 -84.4 -28.1 17.9 18.5 6.0 45 50 A Q T 4 S+ 0 0 63 1,-0.2 2,-1.8 -5,-0.1 -3,-0.2 0.956 103.3 61.2 -89.4 -62.8 18.6 21.0 8.8 46 51 A E >< - 0 0 40 -4,-1.2 2,-1.6 -5,-0.2 3,-0.7 -0.463 64.3-174.7 -72.2 84.3 15.5 23.1 9.4 47 52 A E T 3 + 0 0 165 -2,-1.8 -1,-0.1 1,-0.2 -4,-0.1 -0.488 58.9 86.9 -87.9 76.4 12.9 20.5 10.5 48 53 A R T 3 + 0 0 135 -2,-1.6 2,-0.3 2,-0.1 -1,-0.2 0.211 66.0 104.9-141.9 -0.3 9.7 22.5 10.8 49 54 A L S < S- 0 0 19 -3,-0.7 5,-0.1 -6,-0.1 -36,-0.1 -0.625 87.3 -87.0 -87.3 142.6 8.7 22.1 7.1 50 55 A D > - 0 0 68 -2,-0.3 4,-0.7 -38,-0.2 5,-0.1 -0.226 31.7-141.2 -52.0 134.9 6.0 19.7 5.9 51 56 A S H > S+ 0 0 43 2,-0.2 42,-3.5 1,-0.2 4,-1.1 0.683 102.5 52.4 -71.1 -23.6 7.5 16.2 5.3 52 57 A T H > S+ 0 0 59 40,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.829 108.9 50.0 -80.6 -36.2 5.4 15.7 2.2 53 58 A Q H 4 S+ 0 0 46 1,-0.2 4,-0.3 2,-0.2 -2,-0.2 0.640 114.1 44.3 -77.5 -17.4 6.5 19.0 0.8 54 59 A V H X S+ 0 0 4 -4,-0.7 4,-1.4 2,-0.2 -1,-0.2 0.714 112.2 51.6 -93.3 -31.7 10.2 18.2 1.4 55 60 A G H < S+ 0 0 0 -4,-1.1 4,-0.2 1,-0.2 -2,-0.2 0.720 110.5 49.0 -76.7 -23.0 9.9 14.7 0.1 56 61 A D T < S+ 0 0 59 -4,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.717 106.5 59.3 -86.5 -25.0 8.2 16.0 -3.1 57 62 A F T >4 S+ 0 0 13 -4,-0.3 3,-0.8 1,-0.2 -2,-0.2 1.000 107.6 40.0 -64.7 -70.4 10.9 18.6 -3.6 58 63 A L T 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.597 111.8 60.9 -58.2 -9.9 14.0 16.3 -3.8 59 64 A G T 3 S+ 0 0 9 -4,-0.2 2,-0.3 -5,-0.1 -1,-0.3 -0.293 79.9 122.9-111.7 45.3 12.0 13.9 -5.9 60 65 A D < - 0 0 69 -3,-0.8 9,-0.1 5,-0.2 5,-0.1 -0.829 68.6-126.7-107.5 149.1 11.3 16.3 -8.7 61 66 A S S S+ 0 0 79 -2,-0.3 2,-0.1 4,-0.1 -1,-0.1 0.382 71.0 118.7 -75.2 3.6 12.3 15.7 -12.3 62 67 A A > - 0 0 34 1,-0.1 4,-1.8 2,-0.0 3,-0.4 -0.457 66.5-137.1 -73.5 142.1 14.2 19.0 -12.6 63 68 A R T 4 S+ 0 0 82 1,-0.2 4,-0.4 2,-0.2 -1,-0.1 0.684 110.5 49.8 -70.3 -15.1 18.0 18.9 -13.4 64 69 A F T > S+ 0 0 116 2,-0.2 4,-0.9 3,-0.1 -1,-0.2 0.645 112.3 46.9 -89.8 -23.7 18.4 21.6 -10.6 65 70 A N T 4 S+ 0 0 11 -3,-0.4 4,-0.2 2,-0.2 -2,-0.2 0.663 104.7 58.3 -91.8 -27.0 16.3 19.6 -8.2 66 71 A K T X S+ 0 0 104 -4,-1.8 4,-1.2 2,-0.2 3,-0.2 0.780 110.2 45.6 -72.8 -29.8 18.2 16.3 -8.9 67 72 A E H > S+ 0 0 116 -4,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.868 108.1 57.0 -76.6 -39.1 21.3 18.2 -7.8 68 73 A V H < S+ 0 0 2 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.557 110.7 45.4 -67.5 -7.1 19.3 19.5 -4.9 69 74 A X H > S+ 0 0 11 -4,-0.2 4,-1.6 -3,-0.2 -1,-0.2 0.669 105.5 57.2-104.4 -32.6 18.6 15.9 -3.9 70 75 A Y H X S+ 0 0 33 -4,-1.2 4,-2.0 1,-0.2 -2,-0.2 0.893 107.5 48.9 -68.4 -39.8 22.1 14.5 -4.3 71 76 A A H < S+ 0 0 18 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.724 107.0 58.3 -70.6 -21.8 23.5 17.1 -1.8 72 77 A Y H >> S+ 0 0 1 -5,-0.2 4,-0.8 1,-0.2 3,-0.5 0.873 108.9 43.0 -72.4 -40.3 20.7 16.0 0.5 73 78 A V H 3< S+ 0 0 15 -4,-1.6 2,-1.3 1,-0.2 -2,-0.2 0.859 101.9 71.2 -72.8 -35.9 21.9 12.4 0.4 74 79 A D T 3< S+ 0 0 112 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.1 -0.060 97.6 50.6 -73.9 36.6 25.5 13.6 0.8 75 80 A Q T <4 0 0 91 -2,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.485 360.0 360.0-133.0 -54.7 25.0 14.6 4.4 76 81 A L < 0 0 138 -4,-0.8 -1,-0.3 12,-0.1 8,-0.0 -0.966 360.0 360.0-156.8 360.0 23.3 11.7 6.2 77 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 78 85 A E 0 0 139 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -54.1 29.5 1.8 8.3 79 86 A K - 0 0 65 1,-0.2 5,-0.1 4,-0.1 0, 0.0 -0.143 360.0 -68.1 -68.3 163.3 26.1 1.2 10.0 80 87 A E - 0 0 67 1,-0.1 4,-0.2 3,-0.1 5,-0.2 -0.089 45.0-115.9 -52.2 149.3 23.6 -1.5 9.0 81 88 A F S >> S+ 0 0 0 1,-0.3 4,-1.2 2,-0.2 3,-1.2 0.894 119.8 44.0 -53.8 -45.3 21.9 -1.1 5.6 82 89 A V H 3> S+ 0 0 3 1,-0.3 4,-2.1 2,-0.2 5,-0.3 0.817 103.0 66.0 -70.2 -30.1 18.5 -0.8 7.2 83 90 A S H 34 S+ 0 0 32 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.459 109.1 41.3 -69.7 2.0 20.1 1.6 9.7 84 91 A A H <> S+ 0 0 24 -3,-1.2 4,-1.8 -4,-0.2 -1,-0.2 0.592 108.7 55.3-115.9 -33.0 20.6 3.9 6.7 85 92 A L H X S+ 0 0 1 -4,-1.2 4,-2.8 2,-0.2 -2,-0.2 0.916 111.1 45.8 -69.8 -45.9 17.4 3.4 4.9 86 93 A R H < S+ 0 0 24 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.904 114.0 49.7 -64.2 -39.4 15.4 4.5 7.9 87 94 A T H >> S+ 0 0 48 -5,-0.3 3,-0.5 1,-0.2 4,-0.5 0.847 111.0 49.5 -68.7 -33.8 17.8 7.4 8.5 88 95 A F H >< S+ 0 0 3 -4,-1.8 3,-0.7 1,-0.2 4,-0.3 0.961 114.1 45.1 -68.4 -45.6 17.4 8.4 4.9 89 96 A L T 3< S+ 0 0 16 -4,-2.8 5,-0.3 1,-0.2 -1,-0.2 0.340 94.6 77.5 -80.8 6.3 13.6 8.3 5.1 90 97 A E T <4 S+ 0 0 146 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.1 0.811 85.0 60.1 -85.8 -30.8 13.1 10.0 8.4 91 98 A G S << S+ 0 0 36 -3,-0.7 2,-0.3 -4,-0.5 -1,-0.2 0.771 115.6 16.8 -68.3 -27.2 13.7 13.6 7.1 92 99 A F S S- 0 0 6 -4,-0.3 2,-0.6 -38,-0.1 -40,-0.2 -0.903 84.6 -91.8-141.7 170.5 10.8 13.4 4.7 93 100 A R - 0 0 134 -42,-3.5 -3,-0.1 -2,-0.3 -2,-0.0 -0.754 48.1-117.1 -86.6 119.3 7.6 11.6 3.7 94 101 A L - 0 0 51 -2,-0.6 2,-0.2 -5,-0.3 -38,-0.1 -0.423 35.7-122.7 -57.1 119.4 8.5 9.0 1.2 95 102 A P - 0 0 7 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.529 7.7-143.7 -70.0 131.7 6.6 10.1 -2.0 96 103 A G + 0 0 76 -2,-0.2 2,-0.2 4,-0.1 -2,-0.1 0.471 65.2 112.6 -76.0 -3.2 4.1 7.6 -3.4 97 104 A E > - 0 0 107 1,-0.1 4,-1.9 -38,-0.1 3,-0.3 -0.538 66.2-137.3 -74.4 134.6 4.9 8.6 -7.0 98 105 A A H > S+ 0 0 73 -2,-0.2 4,-1.0 1,-0.2 -1,-0.1 0.852 99.1 46.4 -59.3 -45.0 6.6 5.9 -9.1 99 106 A Q H > S+ 0 0 138 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.694 112.3 51.8 -72.6 -25.2 9.2 8.1 -10.9 100 107 A K H > S+ 0 0 7 -3,-0.3 4,-1.6 2,-0.2 3,-0.4 0.901 102.8 55.7 -79.0 -47.2 10.2 9.9 -7.8 101 108 A I H X S+ 0 0 15 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.853 108.7 51.2 -53.7 -37.3 10.9 6.8 -5.6 102 109 A D H X S+ 0 0 63 -4,-1.0 4,-0.9 1,-0.2 -1,-0.2 0.845 104.2 55.3 -67.9 -38.2 13.3 5.7 -8.3 103 110 A R H X S+ 0 0 53 -4,-0.8 4,-1.0 -3,-0.4 -1,-0.2 0.832 114.5 42.1 -63.4 -34.6 15.2 9.0 -8.3 104 111 A L H X S+ 0 0 0 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.873 114.1 46.9 -81.2 -43.6 15.7 8.5 -4.5 105 112 A X H X S+ 0 0 1 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.531 107.9 58.7 -79.5 -7.2 16.7 4.8 -4.4 106 113 A E H X S+ 0 0 110 -4,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.916 112.5 38.3 -81.8 -52.4 19.1 5.2 -7.3 107 114 A K H X S+ 0 0 24 -4,-1.0 4,-0.8 1,-0.2 -2,-0.2 0.669 115.3 54.0 -71.5 -21.1 21.1 7.9 -5.4 108 115 A F H X S+ 0 0 14 -4,-1.1 4,-1.4 2,-0.2 -1,-0.2 0.854 111.7 44.0 -80.7 -36.3 20.7 6.1 -2.0 109 116 A A H X S+ 0 0 2 -4,-0.8 4,-1.7 2,-0.2 -2,-0.2 0.817 115.6 47.7 -75.9 -31.9 22.1 2.8 -3.5 110 117 A A H < S+ 0 0 52 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.732 114.5 46.8 -79.4 -24.1 25.0 4.6 -5.3 111 118 A R H < S+ 0 0 27 -4,-0.8 4,-0.3 -5,-0.2 -2,-0.2 0.738 112.3 49.5 -85.6 -31.6 25.9 6.6 -2.2 112 119 A Y H >< S+ 0 0 52 -4,-1.4 2,-3.5 1,-0.3 3,-1.6 0.964 103.7 59.6 -70.0 -60.4 25.8 3.6 0.2 113 120 A I T 3< S+ 0 0 70 -4,-1.7 -1,-0.3 1,-0.2 8,-0.1 -0.422 96.6 69.8 -69.5 72.8 28.0 1.6 -2.1 114 121 A E T 3 0 0 153 -2,-3.5 -1,-0.2 1,-0.5 -2,-0.2 0.312 360.0 360.0-155.3 -36.2 30.6 4.2 -1.7 115 122 A C < 0 0 141 -3,-1.6 -1,-0.5 -4,-0.3 -4,-0.0 -0.929 360.0 360.0-133.8 360.0 32.0 4.0 1.9 116 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 117 128 A L 0 0 194 0, 0.0 47,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.6 28.7 -8.4 1.4 118 129 A F - 0 0 48 1,-0.1 3,-0.1 5,-0.1 41,-0.1 -0.082 360.0-136.7 72.1-173.9 26.6 -7.2 -1.5 119 130 A A - 0 0 45 1,-0.6 2,-0.3 39,-0.1 40,-0.1 0.437 67.8 -11.8-149.1 -44.9 27.3 -7.3 -5.2 120 131 A S > - 0 0 64 1,-0.0 4,-0.8 40,-0.0 -1,-0.6 -0.858 68.1 -97.7-150.5-177.6 26.5 -4.1 -7.0 121 132 A A H > S+ 0 0 39 -2,-0.3 4,-1.6 1,-0.2 -8,-0.1 0.720 122.8 63.2 -79.5 -23.0 24.6 -0.8 -6.4 122 133 A D H > S+ 0 0 46 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.697 97.4 59.1 -71.7 -18.3 21.7 -2.4 -8.2 123 134 A T H > S+ 0 0 10 2,-0.2 4,-0.8 -3,-0.2 -1,-0.2 0.885 107.8 41.0 -77.3 -40.5 21.7 -5.0 -5.4 124 135 A A H X S+ 0 0 0 -4,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.791 109.6 63.6 -73.3 -32.3 21.1 -2.5 -2.7 125 136 A Y H X S+ 0 0 51 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.952 109.6 36.0 -55.2 -53.3 18.7 -0.7 -5.0 126 137 A V H X S+ 0 0 78 -4,-1.5 4,-1.0 1,-0.2 -1,-0.2 0.629 114.5 57.9 -74.5 -20.3 16.2 -3.7 -5.1 127 138 A L H X S+ 0 0 5 -4,-0.8 4,-1.4 2,-0.2 -1,-0.2 0.806 101.7 55.5 -77.7 -33.6 16.9 -4.5 -1.5 128 139 A A H X S+ 0 0 1 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.882 108.8 48.1 -64.8 -41.2 15.8 -1.1 -0.5 129 140 A Y H X S+ 0 0 75 -4,-1.1 4,-0.6 2,-0.2 -1,-0.2 0.771 105.7 55.6 -71.6 -32.3 12.5 -1.7 -2.3 130 141 A S H < S+ 0 0 8 -4,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.856 109.3 49.7 -69.6 -31.8 11.9 -5.1 -0.7 131 142 A I H >X S+ 0 0 0 -4,-1.4 4,-2.2 1,-0.2 3,-1.1 0.814 110.3 47.9 -73.1 -34.2 12.2 -3.3 2.7 132 143 A I H 3< S+ 0 0 30 -4,-1.3 4,-0.4 1,-0.2 -1,-0.2 0.618 106.6 59.4 -77.7 -14.7 9.8 -0.7 1.7 133 144 A X T 3< S+ 0 0 68 -4,-0.6 -1,-0.2 -5,-0.1 -2,-0.2 0.293 113.4 38.5 -91.6 8.2 7.7 -3.6 0.6 134 145 A L T <> S+ 0 0 0 -3,-1.1 4,-2.1 3,-0.1 -2,-0.2 0.563 107.7 56.2-127.3 -32.8 7.8 -4.8 4.2 135 146 A T T < S+ 0 0 17 -4,-2.2 -3,-0.1 1,-0.2 -2,-0.1 0.691 116.9 41.4 -76.6 -13.2 7.5 -1.6 6.3 136 147 A T T 4 S+ 0 0 99 -4,-0.4 -1,-0.2 -5,-0.2 -3,-0.1 0.686 114.4 50.6 -98.2 -29.3 4.3 -0.9 4.4 137 148 A D T 4 0 0 53 3,-0.1 5,-0.2 -5,-0.1 -2,-0.2 0.838 360.0 360.0 -77.4 -33.6 3.1 -4.5 4.5 138 149 A L < 0 0 39 -4,-2.1 -3,-0.2 2,-0.1 39,-0.1 0.497 360.0 360.0-116.2 360.0 3.7 -4.7 8.3 139 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 140 152 A P 0 0 112 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 -16.8 -2.2 -3.7 8.3 141 153 A Q + 0 0 172 -4,-0.1 2,-0.5 0, 0.0 -4,-0.0 0.142 360.0 94.1-117.8 14.6 -5.4 -4.9 6.6 142 154 A V - 0 0 91 -5,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.943 60.4-154.9-113.6 132.6 -4.1 -8.2 5.6 143 155 A K S S+ 0 0 212 -2,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.901 83.9 56.7 -67.8 -48.4 -4.6 -11.4 7.6 144 156 A N S S- 0 0 69 3,-0.0 2,-0.2 1,-0.0 -2,-0.0 -0.656 75.9-157.2 -87.0 148.6 -1.5 -13.2 6.3 145 157 A K - 0 0 56 -2,-0.3 2,-0.7 -5,-0.0 -7,-0.1 -0.562 43.3 -62.1-110.5 177.8 1.8 -11.4 6.7 146 158 A X - 0 0 31 -2,-0.2 -1,-0.0 -12,-0.1 -12,-0.0 -0.547 65.8-115.6 -67.7 111.2 5.1 -11.9 4.7 147 159 A T - 0 0 98 -2,-0.7 5,-0.2 1,-0.1 -1,-0.1 -0.019 2.6-136.0 -48.9 139.5 6.1 -15.5 5.3 148 160 A K S S+ 0 0 51 1,-0.2 -1,-0.1 3,-0.1 25,-0.1 0.849 116.7 44.4 -63.7 -31.5 9.4 -16.3 7.1 149 161 A E S >> S+ 0 0 57 3,-0.1 4,-0.8 2,-0.1 3,-0.5 0.861 115.5 56.8 -76.7 -39.7 9.8 -18.9 4.4 150 162 A Q T 34 S+ 0 0 19 1,-0.2 -4,-0.0 2,-0.2 0, 0.0 -0.065 88.1 52.9 -77.5-173.0 8.7 -16.3 1.8 151 163 A Y T 34 S+ 0 0 4 1,-0.2 -1,-0.2 5,-0.0 4,-0.2 0.231 112.2 56.3 68.3 -21.1 10.5 -13.0 1.3 152 164 A I T <4 S+ 0 0 15 -3,-0.5 -1,-0.2 -5,-0.2 -2,-0.2 0.715 109.2 41.4-105.6 -36.5 13.6 -15.1 1.0 153 165 A K S < S+ 0 0 66 -4,-0.8 3,-0.4 1,-0.2 -3,-0.1 0.731 117.9 51.2 -78.4 -24.2 12.3 -17.2 -1.9 154 166 A X S S+ 0 0 111 1,-0.2 -1,-0.2 0, 0.0 -2,-0.2 0.756 108.7 49.2 -81.7 -28.7 10.9 -14.0 -3.2 155 167 A N S S+ 0 0 17 -4,-0.2 2,-0.3 9,-0.1 9,-0.3 0.120 81.4 137.7 -95.9 15.2 14.2 -12.1 -3.0 156 168 A R + 0 0 178 -3,-0.4 7,-0.1 1,-0.2 6,-0.1 -0.491 60.2 28.7 -67.7 126.5 16.1 -14.9 -4.7 157 169 A G S S+ 0 0 42 -2,-0.3 6,-0.2 2,-0.1 -1,-0.2 0.934 71.6 127.2 88.6 63.0 18.5 -13.7 -7.3 158 170 A I + 0 0 18 4,-1.6 2,-0.7 1,-0.1 5,-0.2 0.542 63.0 63.2-122.9 -17.6 19.6 -10.3 -6.0 159 171 A N B > S-A 162 0A 29 3,-3.1 2,-2.5 -40,-0.1 3,-2.2 -0.739 128.6 -73.6-107.4 78.7 23.5 -10.8 -6.0 160 172 A D T 3 S- 0 0 133 -2,-0.7 3,-0.0 1,-0.3 -41,-0.0 -0.411 115.3 -18.6 69.6 -78.1 24.0 -11.4 -9.8 161 173 A S T 3 S+ 0 0 115 -2,-2.5 -1,-0.3 2,-0.1 2,-0.1 0.530 127.7 72.5-131.0 -22.2 22.6 -14.8 -9.9 162 174 A K B < S-A 159 0A 60 -3,-2.2 -3,-3.1 -5,-0.1 -4,-1.6 -0.390 77.1-105.8 -97.6 171.5 22.7 -15.8 -6.2 163 175 A D - 0 0 38 -6,-0.2 -1,-0.1 -5,-0.2 -7,-0.1 -0.288 33.9-102.8 -85.2 173.6 20.8 -14.9 -3.1 164 176 A L - 0 0 14 -9,-0.3 5,-0.2 1,-0.1 -1,-0.1 -0.737 63.3 -70.4 -91.1 144.0 21.9 -12.8 -0.2 165 177 A P >> - 0 0 94 0, 0.0 3,-2.8 0, 0.0 4,-1.4 -0.113 43.2-135.4 -41.7 119.9 22.9 -14.7 2.9 166 178 A E H 3> S+ 0 0 129 1,-0.3 4,-0.6 2,-0.2 5,-0.0 0.648 106.5 60.3 -53.5 -16.8 19.6 -16.1 4.3 167 179 A E H 3> S+ 0 0 144 2,-0.2 4,-1.5 3,-0.1 -1,-0.3 0.753 103.2 50.7 -82.9 -23.4 20.7 -15.0 7.7 168 180 A Y H <> S+ 0 0 72 -3,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.845 108.1 48.6 -79.3 -41.0 20.9 -11.4 6.5 169 181 A L H X S+ 0 0 1 -4,-1.4 4,-1.6 -5,-0.2 -1,-0.2 0.743 114.5 50.4 -69.5 -26.0 17.4 -11.2 5.0 170 182 A S H X S+ 0 0 32 -4,-0.6 4,-2.0 -5,-0.3 -2,-0.2 0.870 108.2 48.2 -79.1 -42.0 16.2 -12.8 8.3 171 183 A S H X S+ 0 0 54 -4,-1.5 4,-0.7 1,-0.2 -2,-0.2 0.809 114.3 50.8 -67.4 -29.4 18.0 -10.3 10.5 172 184 A I H X S+ 0 0 9 -4,-1.4 4,-1.4 2,-0.2 3,-0.4 0.898 106.3 53.8 -72.5 -42.7 16.5 -7.6 8.3 173 185 A Y H X S+ 0 0 42 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.904 106.7 50.1 -58.5 -49.3 13.0 -9.1 8.6 174 186 A E H < S+ 0 0 130 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.738 106.3 57.9 -66.5 -22.2 12.9 -9.0 12.4 175 187 A E H >X S+ 0 0 86 -4,-0.7 4,-2.2 -3,-0.4 3,-0.6 0.932 109.8 37.4 -74.4 -51.1 14.1 -5.4 12.6 176 188 A I H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.624 107.5 64.2 -80.9 -13.2 11.4 -3.6 10.6 177 189 A E T 3< S+ 0 0 82 -4,-1.1 -1,-0.2 -5,-0.2 3,-0.2 0.687 111.7 39.3 -81.6 -13.0 8.6 -5.8 11.9 178 190 A G T <4 S+ 0 0 61 -3,-0.6 2,-0.6 -4,-0.4 -2,-0.2 0.887 128.2 28.8 -92.2 -53.3 9.3 -4.4 15.3 179 191 A K S < S- 0 0 160 -4,-2.2 2,-1.7 -5,-0.1 -1,-0.3 -0.910 74.6-155.1-113.5 101.2 10.1 -0.7 14.4 180 192 A K - 0 0 92 -2,-0.6 -4,-0.1 -3,-0.2 -3,-0.1 -0.565 13.8-145.1 -78.6 84.8 8.2 0.3 11.2 181 193 A I 0 0 48 -2,-1.7 -1,-0.2 1,-0.1 -95,-0.0 0.655 360.0 360.0 -10.4 -77.5 10.4 3.1 10.0 182 194 A A 0 0 81 -3,-0.1 -1,-0.1 -89,-0.0 -92,-0.0 -0.902 360.0 360.0-110.3 360.0 7.5 5.1 8.7