==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-JUL-12 4FYF . COMPND 2 MOLECULE: SIDF, INHIBITOR OF GROWTH FAMILY, MEMBER 3; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA SUBSP. PNEUMOPH . AUTHOR F.S.HSU,W.ZHU,L.BRENNAN,L.TAO,Z.Q.LUO,Y.MAO . 739 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31796.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 524 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 6.5 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 29 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 330 44.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 2 0 2 0 1 0 3 0 1 1 0 1 0 0 0 0 3 0 0 1 0 0 2 0 2 RESIDUES PER ALPHA HELIX . 0 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 5 0 0 1 1 0 1 2 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 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 3 A R 0 0 34 0, 0.0 203,-0.1 0, 0.0 393,-0.0 0.000 360.0 360.0 360.0 172.9 -16.2 51.3 28.8 2 4 A I - 0 0 50 1,-0.2 3,-0.1 2,-0.1 395,-0.1 0.386 360.0-125.0 -66.9 3.8 -18.9 50.4 31.5 3 5 A T S S+ 0 0 7 1,-0.3 2,-0.3 391,-0.1 -1,-0.2 0.458 74.0 122.1 58.7 5.7 -18.0 53.4 33.8 4 6 A E S S- 0 0 65 1,-0.1 -1,-0.3 392,-0.0 2,-0.1 -0.634 79.6 -90.7 -80.4 148.9 -17.4 51.0 36.7 5 7 A N > - 0 0 9 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.426 35.2-128.4 -60.0 137.5 -14.0 51.0 38.2 6 8 A I H > S+ 0 0 8 302,-2.5 4,-2.8 1,-0.2 5,-0.2 0.867 104.2 54.1 -68.8 -35.8 -11.8 48.5 36.5 7 9 A E H > S+ 0 0 90 301,-0.5 4,-2.9 2,-0.2 -1,-0.2 0.967 110.6 45.8 -61.1 -49.2 -10.6 46.7 39.6 8 10 A T H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.948 112.5 51.9 -61.9 -42.3 -14.2 46.1 40.7 9 11 A Y H X S+ 0 0 10 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.907 110.3 47.7 -58.3 -43.2 -15.2 45.0 37.2 10 12 A V H X S+ 0 0 0 -4,-2.8 4,-1.3 2,-0.2 3,-0.4 0.947 107.5 57.6 -59.8 -49.0 -12.3 42.5 37.1 11 13 A T H >< S+ 0 0 43 -4,-2.9 3,-1.0 1,-0.2 -2,-0.2 0.934 109.9 44.0 -44.5 -56.2 -13.3 41.3 40.6 12 14 A H H >< S+ 0 0 76 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.779 104.7 62.1 -61.9 -30.9 -16.8 40.4 39.3 13 15 A L H 3< S+ 0 0 2 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.783 103.7 50.5 -68.0 -22.7 -15.5 38.8 36.1 14 16 A L T << S+ 0 0 3 -4,-1.3 -1,-0.3 -3,-1.0 -2,-0.2 0.272 97.6 99.4 -96.6 3.7 -13.8 36.2 38.3 15 17 A S S < S- 0 0 53 -3,-1.4 2,-0.8 -5,-0.1 -3,-0.1 -0.077 95.5 -68.6 -69.7-179.5 -17.0 35.5 40.2 16 18 A D - 0 0 171 25,-0.0 2,-0.2 -2,-0.0 -1,-0.1 -0.695 65.0-167.0 -69.3 109.8 -19.5 32.8 39.9 17 19 A L - 0 0 29 -2,-0.8 23,-0.1 -4,-0.1 -4,-0.0 -0.672 24.7-101.1-104.9 161.6 -21.1 33.6 36.5 18 20 A E - 0 0 115 21,-0.3 21,-2.6 -2,-0.2 -1,-0.0 -0.648 40.6-122.5 -78.7 130.9 -24.3 32.3 34.8 19 21 A P B -A 38 0A 90 0, 0.0 19,-0.3 0, 0.0 -1,-0.1 -0.287 17.3-139.9 -71.2 156.7 -23.6 29.7 32.1 20 22 A V - 0 0 16 17,-1.8 17,-0.3 18,-0.1 2,-0.1 -0.987 16.2-125.0-118.7 128.0 -24.7 30.2 28.6 21 23 A P > - 0 0 65 0, 0.0 3,-2.2 0, 0.0 4,-0.1 -0.445 28.8-110.4 -69.3 147.5 -26.2 27.3 26.5 22 24 A S G > S+ 0 0 92 1,-0.3 3,-2.0 2,-0.2 -2,-0.0 0.799 114.7 58.4 -44.4 -47.5 -24.5 26.6 23.2 23 25 A Q G 3 S+ 0 0 157 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.596 106.9 51.0 -67.5 -10.1 -27.4 27.8 21.0 24 26 A N G < S+ 0 0 93 -3,-2.2 -1,-0.3 3,-0.0 -2,-0.2 0.218 82.7 114.3-108.6 10.7 -27.1 31.2 22.6 25 27 A Q < - 0 0 54 -3,-2.0 3,-0.1 1,-0.1 -3,-0.0 -0.505 65.4-136.6 -79.2 152.4 -23.4 31.8 22.2 26 28 A H S S+ 0 0 74 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.536 86.2 8.2 -77.4 -6.8 -22.3 34.7 19.9 27 29 A L S S- 0 0 21 54,-0.0 2,-0.6 683,-0.0 -1,-0.2 -0.964 80.5-102.9-170.7 144.3 -19.7 32.5 18.3 28 30 A A + 0 0 19 -2,-0.3 50,-0.1 46,-0.2 682,-0.0 -0.756 37.2 164.6 -85.5 121.8 -18.5 28.9 18.2 29 31 A Y - 0 0 2 -2,-0.6 -1,-0.1 6,-0.1 45,-0.1 0.518 26.3-162.3-106.6 -16.2 -15.3 28.3 20.3 30 32 A G + 0 0 23 43,-0.1 5,-0.4 1,-0.1 -1,-0.1 -0.040 55.5 101.3 56.1-157.8 -15.3 24.5 20.6 31 33 A Y >> - 0 0 15 3,-0.1 3,-2.2 1,-0.1 4,-2.1 0.957 68.9-147.9 43.5 59.7 -13.3 22.5 23.1 32 34 A P T 34 S+ 0 0 111 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.216 78.1 22.3 -56.6 148.3 -16.5 22.0 25.3 33 35 A G T 34 S+ 0 0 66 2,-0.2 3,-0.2 1,-0.1 -2,-0.1 0.190 124.2 58.3 76.9 -21.2 -15.8 21.8 29.0 34 36 A E T <4 S+ 0 0 33 -3,-2.2 2,-1.4 1,-0.2 18,-0.5 0.835 104.4 44.9 -97.0 -53.7 -12.5 23.7 28.5 35 37 A R S < S- 0 0 13 -4,-2.1 2,-0.3 -5,-0.4 -2,-0.2 -0.682 83.8-171.3 -90.1 82.4 -13.8 27.0 26.8 36 38 A Q E - B 0 50A 88 14,-1.8 14,-2.5 -2,-1.4 2,-0.4 -0.585 9.3-146.2 -85.1 139.2 -16.7 27.7 29.1 37 39 A V E + B 0 49A 9 -17,-0.3 -17,-1.8 -2,-0.3 2,-0.3 -0.872 22.6 167.1-112.6 140.2 -19.1 30.4 28.2 38 40 A F E -AB 19 48A 33 10,-2.4 10,-3.0 -2,-0.4 2,-0.1 -0.966 37.9 -94.9-144.4 159.9 -21.0 32.7 30.6 39 41 A K E - B 0 47A 103 -21,-2.6 -21,-0.3 -2,-0.3 8,-0.3 -0.468 49.2-103.6 -71.8 145.3 -23.0 36.0 30.9 40 42 A D - 0 0 14 6,-3.0 6,-0.1 3,-0.4 5,-0.1 -0.508 23.9-133.3 -67.6 137.5 -21.1 39.2 31.7 41 43 A P S S+ 0 0 47 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.676 97.2 20.0 -69.0 -11.1 -21.7 40.1 35.4 42 44 A M S S+ 0 0 59 1,-0.2 2,-0.5 -33,-0.0 -2,-0.0 0.725 109.4 66.5-130.2 -37.5 -22.4 43.8 34.5 43 45 A L S > S- 0 0 68 3,-0.0 3,-1.5 2,-0.0 -3,-0.4 -0.835 74.6-126.5-103.4 126.9 -23.4 44.3 30.9 44 46 A D T 3 S+ 0 0 154 -2,-0.5 3,-0.1 1,-0.2 -2,-0.0 -0.391 94.4 13.0 -64.5 138.0 -26.6 43.0 29.4 45 47 A G T 3 S+ 0 0 43 1,-0.2 2,-0.3 -5,-0.1 -1,-0.2 0.450 100.5 119.1 69.4 3.4 -26.2 40.8 26.3 46 48 A K < - 0 0 40 -3,-1.5 -6,-3.0 -6,-0.1 2,-0.3 -0.780 47.0-156.3 -98.9 148.4 -22.4 40.6 26.8 47 49 A Q E -B 39 0A 17 -2,-0.3 134,-2.3 -8,-0.3 2,-0.4 -0.821 7.8-147.8-126.7 161.1 -20.6 37.2 27.3 48 50 A V E -Bc 38 181A 0 -10,-3.0 -10,-2.4 -2,-0.3 2,-0.6 -0.991 2.9-156.3-131.8 129.9 -17.4 35.9 28.8 49 51 A V E -Bc 37 182A 0 132,-2.9 134,-2.7 -2,-0.4 2,-0.4 -0.950 19.0-173.5-106.5 123.5 -15.3 32.9 27.8 50 52 A V E -Bc 36 183A 9 -14,-2.5 -14,-1.8 -2,-0.6 2,-0.4 -0.954 9.8-168.2-119.4 134.1 -13.2 31.5 30.6 51 53 A V E - c 0 184A 0 132,-2.4 134,-3.0 -2,-0.4 2,-0.5 -0.984 4.8-161.1-117.4 127.0 -10.5 28.7 30.5 52 54 A N E - c 0 185A 56 -18,-0.5 134,-0.2 -2,-0.4 132,-0.0 -0.913 29.0-115.4 -97.6 126.3 -9.0 27.0 33.6 53 55 A S - 0 0 11 132,-2.3 2,-0.3 -2,-0.5 134,-0.1 -0.385 33.6-174.9 -55.6 136.2 -5.7 25.3 33.0 54 56 A Q - 0 0 116 132,-0.0 8,-2.4 -2,-0.0 9,-1.1 -0.929 7.1-155.6-124.7 161.3 -5.8 21.5 33.5 55 57 A Y B -G 61 0B 95 -2,-0.3 2,-0.1 6,-0.3 -2,-0.0 -0.918 12.6-119.4-137.2 157.5 -2.7 19.2 33.4 56 58 A D > - 0 0 58 4,-2.8 3,-2.8 -2,-0.3 4,-0.1 -0.304 51.5 -82.0 -89.2 179.1 -1.8 15.6 32.8 57 59 A K T 3 S+ 0 0 211 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.687 131.4 53.8 -58.1 -17.8 -0.1 13.2 35.2 58 60 A H T 3 S- 0 0 176 2,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.457 118.6-107.7 -94.6 -3.7 3.2 14.8 34.2 59 61 A G S < S+ 0 0 45 -3,-2.8 -2,-0.1 1,-0.3 3,-0.0 0.665 76.5 136.0 83.5 16.3 2.2 18.4 34.9 60 62 A R - 0 0 36 -4,-0.1 -4,-2.8 1,-0.1 -1,-0.3 -0.762 63.4 -99.9 -94.0 139.1 2.1 19.2 31.2 61 63 A P B -G 55 0B 9 0, 0.0 -6,-0.3 0, 0.0 66,-0.1 -0.322 31.7-176.2 -64.1 147.8 -1.0 21.2 30.2 62 64 A V S S+ 0 0 81 -8,-2.4 3,-0.5 -6,-0.1 -7,-0.2 0.645 71.5 71.6-110.1 -31.4 -4.0 19.5 28.6 63 65 A T S S+ 0 0 6 -9,-1.1 -10,-0.1 1,-0.2 636,-0.1 -0.335 91.9 35.5 -73.3 165.3 -5.8 22.8 28.0 64 66 A G S S+ 0 0 5 1,-0.2 -1,-0.2 -2,-0.1 62,-0.1 0.757 85.8 132.7 58.8 26.7 -4.6 25.2 25.3 65 67 A Q - 0 0 19 -3,-0.5 -1,-0.2 60,-0.1 60,-0.1 -0.903 62.3-112.2-111.5 128.4 -3.6 22.3 23.1 66 68 A P - 0 0 0 0, 0.0 58,-2.7 0, 0.0 2,-0.4 -0.301 32.2-175.9 -60.6 134.5 -4.7 22.3 19.3 67 69 A D B > -H 123 0C 24 56,-0.2 4,-2.3 1,-0.1 56,-0.2 -0.949 16.4-153.5-132.8 116.3 -7.2 19.7 18.4 68 70 A V H > S+ 0 0 0 54,-2.5 4,-2.7 -2,-0.4 5,-0.2 0.791 94.0 56.6 -66.9 -30.6 -8.1 19.5 14.6 69 71 A I H > S+ 0 0 25 2,-0.2 4,-2.6 53,-0.2 -1,-0.2 0.976 111.0 43.8 -56.5 -56.8 -11.6 18.1 15.2 70 72 A Q H > S+ 0 0 38 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.910 116.0 47.5 -54.7 -45.2 -12.5 21.1 17.4 71 73 A E H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.869 109.8 53.0 -66.6 -38.5 -10.9 23.5 15.0 72 74 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.924 111.5 47.4 -60.3 -42.6 -12.7 21.9 12.1 73 75 A N H X S+ 0 0 40 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.892 110.9 51.1 -65.3 -42.6 -16.0 22.3 14.0 74 76 A N H X S+ 0 0 1 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.927 112.6 46.0 -57.1 -50.7 -15.1 26.0 14.8 75 77 A Y H X S+ 0 0 25 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.936 113.5 48.1 -59.5 -51.7 -14.4 26.7 11.2 76 78 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.940 117.0 42.5 -52.5 -53.0 -17.6 24.9 9.9 77 79 A D H X S+ 0 0 60 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.868 113.9 49.1 -67.4 -40.6 -19.8 26.6 12.4 78 80 A N H X S+ 0 0 10 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.906 112.3 48.3 -73.0 -33.0 -18.3 30.1 12.1 79 81 A L H X S+ 0 0 22 -4,-2.2 4,-2.9 -5,-0.2 -1,-0.2 0.896 107.2 57.6 -70.5 -39.3 -18.5 30.0 8.3 80 82 A V H X S+ 0 0 13 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.888 106.1 50.0 -57.9 -36.4 -22.2 28.8 8.6 81 83 A A H X S+ 0 0 47 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.957 111.0 47.8 -70.7 -43.7 -23.0 32.0 10.6 82 84 A A H X S+ 0 0 2 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.954 112.6 50.4 -55.2 -51.6 -21.4 34.2 8.0 83 85 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.892 110.6 47.6 -49.1 -47.6 -23.2 32.4 5.2 84 86 A K H X S+ 0 0 58 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.842 111.6 51.9 -72.8 -27.5 -26.6 32.7 6.9 85 87 A S H X S+ 0 0 32 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.957 110.4 47.6 -71.9 -52.1 -26.0 36.4 7.6 86 88 A L H X S+ 0 0 15 -4,-2.9 4,-1.0 1,-0.2 -2,-0.2 0.944 113.9 46.7 -51.2 -52.3 -25.1 37.0 3.9 87 89 A I H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.822 110.0 54.1 -65.3 -28.8 -28.2 35.1 2.7 88 90 A D H < S+ 0 0 86 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.933 114.6 39.5 -68.4 -44.8 -30.6 36.9 5.1 89 91 A K H < S+ 0 0 120 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.577 99.6 99.4 -83.3 -5.0 -29.5 40.4 4.0 90 92 A D S < S- 0 0 27 -4,-1.0 5,-0.1 -5,-0.2 -3,-0.0 -0.254 73.2-127.9 -84.9 169.0 -29.3 39.6 0.3 91 93 A K S S+ 0 0 193 2,-0.0 -1,-0.1 -2,-0.0 -4,-0.0 0.786 76.4 97.8 -81.0 -29.3 -31.8 40.3 -2.5 92 94 A K - 0 0 98 1,-0.1 3,-0.1 2,-0.1 -2,-0.1 -0.215 68.5-129.9 -68.4 149.4 -32.1 36.8 -4.0 93 95 A G S S+ 0 0 49 1,-0.1 -1,-0.1 2,-0.1 -3,-0.0 0.053 77.6 69.4 -80.3-163.9 -35.0 34.5 -2.9 94 96 A E > + 0 0 137 1,-0.1 4,-1.8 3,-0.1 5,-0.1 0.888 57.0 158.5 58.2 42.8 -35.1 30.9 -1.6 95 97 A K H > + 0 0 57 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.909 68.8 41.9 -65.5 -47.0 -33.4 32.0 1.6 96 98 A D H > S+ 0 0 108 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.926 110.2 56.4 -69.4 -44.5 -34.5 29.0 3.7 97 99 A L H > S+ 0 0 109 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.914 113.0 43.2 -52.0 -41.7 -33.8 26.5 1.0 98 100 A R H X S+ 0 0 29 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.922 113.7 50.0 -72.6 -44.0 -30.2 27.8 0.8 99 101 A K H X S+ 0 0 34 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.891 111.8 47.5 -61.4 -42.7 -29.7 28.1 4.6 100 102 A N H X S+ 0 0 102 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.782 109.0 54.7 -68.4 -32.3 -31.0 24.5 5.2 101 103 A A H X S+ 0 0 31 -4,-1.3 4,-1.9 -5,-0.4 -1,-0.2 0.881 107.5 50.1 -68.0 -36.4 -28.7 23.3 2.5 102 104 A I H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.958 111.4 48.7 -62.8 -56.5 -25.7 24.9 4.2 103 105 A D H X S+ 0 0 59 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.932 109.7 53.3 -43.3 -54.3 -26.8 23.2 7.5 104 106 A E H X S+ 0 0 126 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.907 109.9 46.1 -55.2 -42.0 -27.1 19.9 5.7 105 107 A M H X S+ 0 0 43 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.816 109.5 54.8 -70.7 -30.1 -23.6 20.2 4.3 106 108 A A H X S+ 0 0 7 -4,-2.2 4,-2.7 -3,-0.2 -2,-0.2 0.915 107.9 49.6 -69.2 -43.7 -22.2 21.2 7.7 107 109 A K H X S+ 0 0 152 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.933 113.3 47.8 -57.3 -47.2 -23.7 18.0 9.2 108 110 A T H X S+ 0 0 77 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.904 112.1 47.2 -67.9 -34.2 -22.2 15.9 6.5 109 111 A F H X S+ 0 0 34 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.935 112.6 49.4 -72.7 -40.6 -18.8 17.5 6.7 110 112 A K H X S+ 0 0 61 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.935 112.6 47.4 -60.3 -48.4 -18.6 17.1 10.6 111 113 A K H X S+ 0 0 123 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.931 112.3 49.0 -61.2 -46.5 -19.6 13.5 10.5 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116.7 47.1 -59.9 -47.0 15.2 58.5 13.0 437 439 A Q H > S+ 0 0 4 -4,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.884 111.2 50.2 -73.3 -31.4 12.0 57.7 14.8 438 440 A N H X S+ 0 0 5 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.908 112.3 47.8 -74.5 -39.2 13.6 55.1 17.0 439 441 A A H X S+ 0 0 1 -4,-2.0 4,-2.7 -5,-0.3 -1,-0.2 0.910 112.3 49.2 -53.4 -53.2 16.4 57.4 18.0 440 442 A R H X S+ 0 0 5 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.959 113.2 49.2 -55.2 -49.1 13.8 60.1 18.7 441 443 A F H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.872 108.9 49.6 -64.3 -42.7 11.8 57.6 20.8 442 444 A V H X S+ 0 0 4 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.961 112.4 48.9 -63.4 -44.7 14.8 56.4 22.8 443 445 A N H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 -2,-0.2 0.927 111.0 50.6 -56.0 -44.6 15.7 60.0 23.6 444 446 A Q H X S+ 0 0 22 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.902 113.7 44.0 -58.7 -46.8 12.1 60.8 24.6 445 447 A M H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.897 114.0 48.4 -67.9 -46.3 11.9 57.8 26.9 446 448 A T H X S+ 0 0 5 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.920 112.2 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688 690 A S > - 0 0 38 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.179 40.8-101.7 -66.9 167.6 12.3 25.6 34.8 689 691 A N H > S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.941 122.8 53.2 -59.2 -44.4 9.7 27.8 36.5 690 692 A V H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.919 110.7 46.4 -56.9 -42.0 9.9 30.5 33.9 691 693 A E H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 109.0 55.1 -68.5 -37.0 9.3 28.0 31.1 692 694 A Q H X S+ 0 0 78 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.912 109.7 46.2 -63.8 -41.4 6.5 26.5 33.0 693 695 A L H >X S+ 0 0 2 -4,-2.5 3,-1.2 1,-0.2 4,-0.7 0.902 108.9 57.3 -59.8 -43.6 4.9 30.0 33.2 694 696 A D H >< S+ 0 0 1 -4,-2.5 3,-1.1 1,-0.3 4,-0.4 0.869 97.3 62.0 -56.6 -38.5 5.6 30.5 29.5 695 697 A R H 3< S+ 0 0 15 -4,-2.1 3,-0.4 1,-0.3 -1,-0.3 0.777 100.1 56.2 -56.5 -29.6 3.6 27.3 28.6 696 698 A E H X< S+ 0 0 7 -3,-1.2 3,-1.4 -4,-0.6 4,-0.4 0.820 90.7 73.3 -74.2 -30.6 0.6 29.0 30.0 697 699 A L T S+ 0 0 7 -3,-0.4 4,-1.9 -4,-0.4 -1,-0.3 0.697 85.1 76.5 -74.0 -13.1 -0.5 30.8 24.4 699 701 A T H <> S+ 0 0 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-4,-2.9 -3,-0.2 2,-0.4 -2,-0.2 0.619 96.8-108.5-115.7 -12.1 -10.9 34.7 12.8 710 712 A G S < S+ 0 0 3 -4,-2.9 2,-0.3 -5,-0.4 -632,-0.2 0.094 95.5 64.3 96.2 -16.2 -13.2 31.9 13.6 711 713 A V S S- 0 0 0 -6,-0.5 -2,-0.4 23,-0.1 -1,-0.2 -0.901 88.2 -93.9-143.5 155.0 -10.3 29.5 14.4 712 714 A S + 0 0 0 -2,-0.3 2,-0.4 -6,-0.1 24,-0.2 -0.185 62.7 101.3 -66.9 169.3 -7.4 29.2 16.9 713 715 A G - 0 0 3 20,-0.1 -8,-0.2 21,-0.1 18,-0.2 -0.984 45.1-162.3 164.9-144.9 -4.0 30.6 16.1 714 716 A G - 0 0 7 -2,-0.4 20,-0.2 16,-0.2 -66,-0.2 0.210 23.9-165.5 102.9 111.2 -1.3 32.9 16.1 715 717 A K + 0 0 82 -2,-0.1 2,-0.2 19,-0.1 -67,-0.1 -0.024 28.5 151.0-118.8 26.9 0.9 32.0 13.1 716 718 A F - 0 0 15 -69,-0.2 2,-0.9 -68,-0.1 15,-0.1 -0.428 48.5-126.8 -53.1 130.9 4.1 34.0 14.1 717 719 A E - 0 0 141 -2,-0.2 -1,-0.1 1,-0.1 -299,-0.1 -0.725 27.0-127.0 -88.9 107.3 7.1 32.2 12.6 718 720 A I - 0 0 40 -2,-0.9 3,-0.2 1,-0.1 -1,-0.1 -0.198 20.8-166.4 -54.5 131.1 9.4 31.7 15.5 719 721 A Q S S+ 0 0 49 1,-0.3 2,-0.4 -101,-0.1 -1,-0.1 0.838 80.5 20.1 -94.2 -34.3 12.9 33.1 14.9 720 722 A D > - 0 0 46 -102,-0.2 3,-2.9 1,-0.1 -1,-0.3 -0.926 69.7-150.4-136.9 112.0 14.7 31.4 17.8 721 723 A K G > S+ 0 0 157 -2,-0.4 3,-1.4 1,-0.3 -1,-0.1 0.765 94.3 67.7 -57.4 -24.6 13.0 28.4 19.3 722 724 A A G 3 S+ 0 0 17 1,-0.3 -41,-2.6 -42,-0.1 -1,-0.3 0.563 86.9 69.1 -74.9 -7.5 14.6 29.2 22.7 723 725 A N G < S+ 0 0 3 -3,-2.9 2,-0.3 -43,-0.2 -1,-0.3 0.610 103.2 39.9 -78.6 -15.4 12.4 32.3 23.0 724 726 A F < - 0 0 0 -3,-1.4 -1,-0.1 -4,-0.3 -33,-0.1 -0.998 64.7-141.2-144.6 141.2 9.2 30.5 23.5 725 727 A A S S+ 0 0 1 -2,-0.3 -30,-0.1 -34,-0.1 -1,-0.1 0.816 86.1 69.3 -65.6 -33.8 7.9 27.3 25.3 726 728 A D S S- 0 0 7 -32,-0.1 -599,-0.2 1,-0.1 -2,-0.1 -0.380 77.7-133.8 -89.4 167.3 5.5 26.3 22.4 727 729 A N - 0 0 16 -601,-1.1 -597,-0.1 -2,-0.1 -600,-0.1 0.200 46.9-105.2-105.6 11.2 6.5 25.0 19.0 728 730 A G S > S+ 0 0 16 -602,-0.1 3,-3.2 1,-0.1 4,-0.5 0.428 74.0 137.5 83.3 1.9 4.2 27.2 16.9 729 731 A L T >> + 0 0 0 1,-0.3 3,-0.8 2,-0.2 4,-0.8 0.712 62.6 68.3 -58.9 -23.9 1.7 24.5 16.0 730 732 A F H 3> S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.706 90.6 69.7 -61.3 -16.7 -1.3 26.8 16.5 731 733 A G H <> S+ 0 0 8 -3,-3.2 4,-1.3 2,-0.2 -1,-0.2 0.869 92.7 52.6 -68.0 -35.9 0.1 28.5 13.4 732 734 A K H <4 S+ 0 0 85 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.831 110.7 47.4 -71.6 -32.8 -0.9 25.5 11.2 733 735 A V H >< S+ 0 0 0 -4,-0.8 3,-2.7 1,-0.2 4,-0.3 0.863 103.3 63.5 -67.7 -45.4 -4.5 25.7 12.5 734 736 A A H >< S+ 0 0 3 -4,-2.0 3,-1.8 1,-0.3 4,-0.3 0.828 88.5 70.8 -49.8 -37.3 -4.4 29.5 11.9 735 737 A N G >X S+ 0 0 44 -4,-1.3 4,-1.3 1,-0.3 3,-0.8 0.610 80.7 74.6 -51.7 -19.7 -4.0 28.7 8.2 736 738 A F G <4 S+ 0 0 0 -3,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.822 88.2 60.2 -64.8 -30.8 -7.6 27.5 8.2 737 739 A A G <4 S+ 0 0 27 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.639 102.5 53.1 -73.2 -17.2 -8.7 31.2 8.3 738 740 A K T <4 0 0 134 -3,-0.8 -2,-0.2 -4,-0.3 -1,-0.1 0.964 360.0 360.0 -73.0 -66.7 -6.9 31.8 5.0 739 741 A I < 0 0 44 -4,-1.3 -2,-0.2 0, 0.0 -3,-0.1 0.832 360.0 360.0 -41.1 360.0 -8.5 29.0 2.9