==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 09-SEP-11 3TQ8 . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COXIELLA BURNETII; . AUTHOR M.C.FRANKLIN,M.CASSIDY,B.HILLERICH,J.LOVE . 171 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10677.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 14.0 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 . 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 . 1 0.6 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 . 14 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 15.2 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+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 0 0 0 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 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 PARALLEL BRIDGES PER LADDER . 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 83 0, 0.0 2,-0.6 0, 0.0 91,-0.2 0.000 360.0 360.0 360.0 130.0 22.5 -12.8 4.9 2 2 A I E -a 92 0A 53 89,-1.7 91,-2.9 88,-0.2 2,-0.7 -0.892 360.0-149.8 -95.8 124.7 19.0 -11.7 5.9 3 3 A I E -a 93 0A 17 -2,-0.6 107,-2.7 105,-0.3 108,-2.0 -0.863 18.4-173.0 -96.4 117.6 18.5 -7.9 5.7 4 4 A T E -ab 94 111A 0 89,-2.8 91,-3.3 -2,-0.7 2,-0.5 -0.939 14.7-155.8-118.5 127.1 16.0 -6.7 8.2 5 5 A L E -ab 95 112A 0 106,-2.4 108,-3.0 -2,-0.5 2,-0.4 -0.886 11.8-172.5 -95.5 128.0 14.5 -3.2 8.6 6 6 A I E + b 0 113A 5 89,-2.2 2,-0.3 -2,-0.5 108,-0.2 -0.989 18.4 152.4-119.9 131.7 13.2 -2.3 12.0 7 7 A A E - b 0 114A 9 106,-1.9 108,-2.7 -2,-0.4 2,-0.5 -0.989 37.5-139.3-155.2 153.6 11.4 1.0 12.4 8 8 A A E + b 0 115A 16 -2,-0.3 2,-0.3 106,-0.2 108,-0.2 -0.982 34.9 163.6-114.5 129.9 8.7 2.7 14.5 9 9 A M E - b 0 116A 3 106,-3.3 108,-3.0 -2,-0.5 6,-0.2 -0.955 33.3-118.2-142.7 159.7 6.2 4.9 12.7 10 10 A D E > - b 0 117A 2 4,-2.0 3,-2.3 -2,-0.3 108,-0.2 -0.223 53.8 -80.6 -86.7-175.0 2.9 6.5 13.1 11 11 A K T 3 S+ 0 0 112 108,-1.6 109,-0.1 106,-0.8 107,-0.1 0.699 133.6 49.6 -63.7 -19.3 -0.2 5.8 11.0 12 12 A N T 3 S- 0 0 85 107,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.186 122.3-104.0-100.4 13.5 1.2 8.0 8.2 13 13 A R < + 0 0 86 -3,-2.3 114,-2.8 1,-0.2 2,-0.2 0.540 66.9 158.5 69.9 10.9 4.6 6.4 8.2 14 14 A L E +H 126 0B 1 112,-0.2 -4,-2.0 1,-0.1 112,-0.3 -0.469 11.5 166.4 -63.2 132.5 6.1 9.4 10.1 15 15 A I E + 0 0 18 110,-2.6 2,-0.3 1,-0.2 111,-0.2 0.473 52.6 21.2-122.4 -8.7 9.4 8.4 11.9 16 16 A G E -H 125 0B 7 109,-1.3 108,-2.1 5,-0.2 109,-1.6 -0.998 40.8-163.1-165.2 156.4 11.0 11.6 12.9 17 17 A R B > S-I 20 0C 93 3,-2.7 3,-1.2 -2,-0.3 106,-0.1 -0.924 84.0 -17.5-148.6 118.7 11.0 15.3 13.7 18 18 A N T 3 S- 0 0 106 -2,-0.3 3,-0.1 1,-0.3 105,-0.0 0.859 126.5 -53.0 54.1 42.9 14.1 17.6 13.8 19 19 A N T 3 S+ 0 0 75 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.729 123.2 94.6 63.1 27.3 16.4 14.6 14.1 20 20 A E B < S-I 17 0C 116 -3,-1.2 -3,-2.7 31,-0.0 -1,-0.2 -0.908 84.9 -92.7-134.2 163.3 14.5 13.2 17.1 21 21 A L - 0 0 94 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.502 30.1-135.1 -68.4 144.9 11.7 10.6 17.6 22 22 A P S S+ 0 0 24 0, 0.0 2,-0.3 0, 0.0 100,-0.2 0.486 82.1 24.4 -81.7 0.3 8.3 12.3 17.6 23 23 A W S S- 0 0 19 98,-0.1 2,-0.5 2,-0.0 -2,-0.1 -0.922 71.1-121.5-149.9 166.6 7.1 10.3 20.7 24 24 A H + 0 0 128 -2,-0.3 0, 0.0 4,-0.0 0, 0.0 -0.994 34.5 170.0-115.4 117.0 8.3 8.4 23.7 25 25 A L >> - 0 0 3 -2,-0.5 4,-1.9 1,-0.1 3,-0.6 -0.812 15.1-172.9-130.9 91.3 7.1 4.8 23.5 26 26 A P H 3> S+ 0 0 58 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.844 86.0 57.6 -51.8 -42.4 8.7 2.6 26.2 27 27 A A H 3> S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.897 108.0 47.6 -58.1 -42.2 7.1 -0.6 24.7 28 28 A D H <> S+ 0 0 14 -3,-0.6 4,-2.9 2,-0.2 -1,-0.2 0.913 109.9 51.7 -64.9 -42.6 8.8 0.1 21.4 29 29 A L H X S+ 0 0 77 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.890 111.6 47.3 -63.4 -37.6 12.2 0.8 23.1 30 30 A A H X S+ 0 0 63 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.921 113.7 48.4 -65.3 -46.7 11.9 -2.5 24.9 31 31 A H H X S+ 0 0 25 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.909 111.8 49.1 -56.1 -50.1 10.9 -4.3 21.7 32 32 A F H X S+ 0 0 41 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.915 113.2 46.3 -60.3 -46.9 13.8 -2.7 19.7 33 33 A K H X S+ 0 0 103 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.951 112.5 48.4 -62.9 -51.8 16.4 -3.6 22.3 34 34 A S H < S+ 0 0 81 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.900 115.7 46.1 -59.0 -39.0 15.3 -7.2 22.8 35 35 A I H < S+ 0 0 34 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.875 117.3 41.7 -67.7 -41.0 15.2 -7.7 19.0 36 36 A T H >< S+ 0 0 0 -4,-2.2 3,-1.8 -5,-0.2 -2,-0.2 0.718 79.5 116.5 -89.7 -21.6 18.6 -6.1 18.2 37 37 A L T 3< S+ 0 0 72 -4,-2.2 21,-0.2 1,-0.3 20,-0.1 -0.172 87.3 10.7 -50.7 134.4 20.9 -7.4 21.0 38 38 A G T 3 S+ 0 0 70 19,-1.5 -1,-0.3 1,-0.2 20,-0.1 0.704 108.0 103.8 65.9 19.7 23.8 -9.5 19.6 39 39 A K S < S- 0 0 63 -3,-1.8 20,-0.5 18,-0.1 2,-0.3 -0.959 80.8-104.2-119.9 151.1 23.1 -8.5 16.0 40 40 A P E -c 59 0A 5 0, 0.0 54,-2.3 0, 0.0 2,-0.4 -0.588 38.4-155.9 -68.2 130.1 25.0 -6.0 13.8 41 41 A I E -cd 60 94A 0 18,-2.7 20,-2.7 -2,-0.3 2,-0.4 -0.943 4.5-158.5-114.5 134.7 23.0 -2.8 13.5 42 42 A V E +cd 61 95A 0 52,-2.7 54,-2.9 -2,-0.4 55,-0.5 -0.929 18.3 165.5-115.5 129.6 23.4 -0.4 10.6 43 43 A M E -cd 62 97A 1 18,-2.5 20,-2.3 -2,-0.4 55,-0.3 -0.978 35.2-109.5-140.1 152.2 22.4 3.3 10.9 44 44 A G E > -c 63 0A 11 53,-2.0 4,-2.0 -2,-0.3 3,-0.3 -0.405 40.7-103.9 -73.6 162.7 23.0 6.5 9.0 45 45 A R H > S+ 0 0 68 18,-1.4 4,-2.3 1,-0.2 5,-0.1 0.847 118.4 53.2 -61.2 -38.1 25.2 9.2 10.5 46 46 A R H > S+ 0 0 166 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.891 107.0 52.6 -66.3 -38.5 22.3 11.5 11.5 47 47 A T H > S+ 0 0 29 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.922 108.6 50.3 -62.7 -42.7 20.6 8.7 13.4 48 48 A F H X S+ 0 0 18 -4,-2.0 4,-3.6 2,-0.2 -2,-0.2 0.939 111.0 49.5 -58.4 -45.0 23.9 8.0 15.3 49 49 A D H < S+ 0 0 80 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.919 109.8 51.3 -58.1 -45.2 24.0 11.7 16.1 50 50 A S H < S+ 0 0 54 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.930 115.1 41.4 -56.8 -47.2 20.4 11.6 17.3 51 51 A I H < S- 0 0 64 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.879 95.1-157.5 -70.4 -37.9 21.2 8.6 19.6 52 52 A G < + 0 0 52 -4,-3.6 -3,-0.1 -5,-0.2 -1,-0.1 0.217 62.1 39.0 85.6 -16.8 24.5 10.3 20.5 53 53 A K S S- 0 0 150 -5,-0.2 20,-0.1 18,-0.0 18,-0.0 -0.971 97.1 -79.3-152.2 161.7 26.4 7.2 21.7 54 54 A P - 0 0 43 0, 0.0 20,-0.1 0, 0.0 5,-0.0 -0.334 48.8-111.9 -60.0 144.4 26.8 3.6 20.5 55 55 A L > - 0 0 28 1,-0.1 3,-0.9 2,-0.0 5,-0.1 -0.676 43.6-111.8 -74.9 125.6 23.9 1.3 21.6 56 56 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.181 90.1 17.9 -63.0 152.6 25.4 -1.1 24.1 57 57 A H T 3 S+ 0 0 147 1,-0.2 -19,-1.5 -20,-0.1 2,-0.3 0.563 107.7 90.5 70.6 15.3 25.9 -4.9 23.5 58 58 A R S < S- 0 0 26 -3,-0.9 2,-0.9 -21,-0.2 -1,-0.2 -0.970 84.4-107.3-137.4 151.0 25.6 -4.6 19.7 59 59 A R E -c 40 0A 95 -20,-0.5 -18,-2.7 -2,-0.3 2,-0.6 -0.724 39.4-151.2 -76.1 107.6 28.0 -4.0 16.8 60 60 A N E -c 41 0A 5 -2,-0.9 15,-2.8 13,-0.4 2,-0.5 -0.743 14.2-173.5 -86.4 120.5 27.2 -0.4 15.8 61 61 A I E -ce 42 75A 0 -20,-2.7 -18,-2.5 -2,-0.6 2,-0.4 -0.963 2.7-166.7-115.1 127.8 27.8 0.4 12.1 62 62 A V E -ce 43 76A 0 13,-2.6 15,-2.1 -2,-0.5 2,-0.5 -0.959 9.5-147.8-119.7 131.8 27.5 4.0 10.9 63 63 A I E +ce 44 77A 17 -20,-2.3 -18,-1.4 -2,-0.4 2,-0.3 -0.860 31.2 150.6 -99.2 128.8 27.3 5.0 7.2 64 64 A T - 0 0 11 13,-1.9 -2,-0.0 -2,-0.5 5,-0.0 -0.976 46.2-143.0-148.9 155.0 28.8 8.4 6.3 65 65 A Q S S+ 0 0 136 -2,-0.3 2,-0.9 14,-0.0 13,-0.1 0.525 73.8 108.7 -91.6 -8.3 30.4 9.9 3.2 66 66 A Q > - 0 0 95 1,-0.2 3,-1.5 2,-0.1 -2,-0.0 -0.578 56.6-162.2 -76.0 104.5 32.8 11.8 5.4 67 67 A K T 3 S+ 0 0 119 -2,-0.9 -1,-0.2 1,-0.3 11,-0.0 0.772 85.6 41.1 -60.8 -32.1 36.2 10.1 4.8 68 68 A N T 3 S+ 0 0 156 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.168 82.3 131.4-105.0 19.0 37.9 11.4 8.0 69 69 A L < - 0 0 46 -3,-1.5 2,-0.4 2,-0.0 7,-0.1 -0.587 38.9-162.9 -76.6 129.6 35.0 11.0 10.4 70 70 A I + 0 0 126 -2,-0.3 2,-0.4 2,-0.0 -2,-0.1 -0.939 11.6 178.9-115.1 129.5 35.9 9.2 13.6 71 71 A I > - 0 0 20 -2,-0.4 3,-1.6 3,-0.3 -9,-0.1 -0.909 27.0-131.6-133.3 109.1 33.3 7.7 15.9 72 72 A E T 3 S+ 0 0 160 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 -0.314 90.4 13.3 -59.2 130.8 34.5 6.0 19.1 73 73 A G T 3 S+ 0 0 66 1,-0.2 -13,-0.4 -20,-0.1 2,-0.3 0.631 109.9 92.3 79.8 15.2 32.9 2.5 19.5 74 74 A C S < S- 0 0 16 -3,-1.6 2,-0.5 -15,-0.1 -3,-0.3 -0.980 70.6-126.5-133.4 151.5 31.4 2.2 16.0 75 75 A D E -e 61 0A 67 -15,-2.8 -13,-2.6 -2,-0.3 2,-0.4 -0.855 29.0-147.2 -92.6 130.1 32.5 0.8 12.7 76 76 A I E +e 62 0A 36 -2,-0.5 2,-0.3 -15,-0.2 -13,-0.2 -0.804 18.2 178.4-102.6 135.6 32.3 3.3 9.8 77 77 A F E -e 63 0A 39 -15,-2.1 -13,-1.9 -2,-0.4 3,-0.1 -0.958 28.5-137.3-129.9 153.7 31.6 2.4 6.2 78 78 A Y S S+ 0 0 92 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.1 0.382 85.1 17.8 -96.9 4.1 31.3 4.8 3.3 79 79 A S S > S- 0 0 36 1,-0.1 4,-1.7 -14,-0.0 5,-0.1 -0.959 73.8-116.5-161.1 156.6 28.2 3.2 1.7 80 80 A L H > S+ 0 0 1 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.913 118.0 54.6 -58.3 -43.2 25.4 0.9 2.7 81 81 A D H > S+ 0 0 71 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.900 105.2 51.6 -59.5 -44.4 26.7 -1.5 0.1 82 82 A D H > S+ 0 0 83 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 111.9 47.7 -56.7 -43.0 30.2 -1.5 1.6 83 83 A A H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.944 112.7 47.4 -64.0 -49.1 28.7 -2.3 5.0 84 84 A L H < S+ 0 0 16 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.883 111.0 52.7 -60.3 -41.2 26.6 -5.1 3.6 85 85 A S H >< S+ 0 0 80 -4,-2.8 3,-1.1 1,-0.2 -1,-0.2 0.893 109.2 48.8 -60.1 -42.5 29.6 -6.5 1.8 86 86 A A H 3< S+ 0 0 56 -4,-2.1 3,-0.4 1,-0.2 -1,-0.2 0.787 110.5 51.9 -68.2 -26.7 31.7 -6.5 5.0 87 87 A L T >< S+ 0 0 2 -4,-1.6 3,-2.5 1,-0.2 -1,-0.2 0.219 70.0 125.2 -96.9 15.2 28.8 -8.3 6.8 88 88 A T T < S+ 0 0 94 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.728 72.7 51.3 -45.9 -34.9 28.5 -11.1 4.2 89 89 A K T 3 S+ 0 0 202 -3,-0.4 -1,-0.3 -88,-0.0 -2,-0.1 0.583 85.6 103.5 -83.2 -13.2 29.0 -13.9 6.9 90 90 A E < - 0 0 68 -3,-2.5 -88,-0.2 1,-0.1 3,-0.1 -0.504 66.7-143.6 -72.6 137.5 26.3 -12.6 9.3 91 91 A P S S+ 0 0 103 0, 0.0 -89,-1.7 0, 0.0 2,-0.3 0.802 86.6 15.0 -69.3 -28.2 23.0 -14.5 9.3 92 92 A E E -a 2 0A 34 -91,-0.2 2,-0.5 -5,-0.1 -89,-0.2 -0.977 60.5-165.8-150.1 132.4 21.1 -11.3 9.8 93 93 A V E -a 3 0A 0 -91,-2.9 -89,-2.8 -2,-0.3 2,-0.6 -0.989 17.3-149.0-115.8 127.5 21.9 -7.5 9.5 94 94 A I E -ad 4 41A 0 -54,-2.3 -52,-2.7 -2,-0.5 2,-0.6 -0.874 0.9-153.9-104.3 119.0 19.4 -5.1 11.0 95 95 A I E -ad 5 42A 0 -91,-3.3 -89,-2.2 -2,-0.6 -52,-0.2 -0.816 12.5-177.9 -89.8 121.6 19.0 -1.7 9.4 96 96 A I E - 0 0 18 -54,-2.9 2,-0.2 -2,-0.6 -53,-0.2 0.362 34.8-167.2-110.2 5.5 17.8 0.8 12.1 97 97 A G E - d 0 43A 0 -55,-0.5 -53,-2.0 1,-0.2 -1,-0.4 -0.615 47.2-140.8 120.0-174.2 17.4 4.0 10.1 98 98 A G > - 0 0 17 -55,-0.3 4,-3.1 -2,-0.2 5,-0.2 0.340 54.7 -92.5 -94.1-140.2 17.0 6.8 9.4 99 99 A A H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.890 122.8 45.8 -59.3 -47.4 14.8 7.9 6.5 100 100 A R H > S+ 0 0 177 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.946 116.1 46.2 -60.9 -50.4 17.6 8.1 3.9 101 101 A I H > S+ 0 0 11 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.919 111.7 51.4 -57.7 -47.4 19.0 4.7 4.9 102 102 A F H X S+ 0 0 7 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.933 109.5 50.3 -57.6 -45.8 15.6 3.0 5.0 103 103 A K H < S+ 0 0 156 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.910 115.8 42.3 -59.2 -43.8 14.8 4.3 1.5 104 104 A E H < S+ 0 0 73 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.849 116.7 47.4 -70.1 -37.5 18.1 2.9 0.2 105 105 A A H >X S+ 0 0 1 -4,-2.9 3,-2.2 -5,-0.2 4,-0.9 0.806 92.1 79.6 -76.3 -29.3 17.9 -0.4 2.1 106 106 A L G >< S+ 0 0 20 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.840 87.0 55.9 -53.0 -44.0 14.2 -1.3 1.2 107 107 A P G 34 S+ 0 0 99 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.663 116.4 38.9 -64.4 -11.7 14.9 -2.6 -2.3 108 108 A K G <4 S+ 0 0 95 -3,-2.2 -105,-0.3 -4,-0.2 -2,-0.2 0.472 91.9 117.6-107.0 -8.7 17.4 -5.1 -0.7 109 109 A A << - 0 0 0 -4,-0.9 -105,-0.2 -3,-0.8 3,-0.1 -0.341 37.5-177.7 -73.2 140.8 15.4 -5.9 2.4 110 110 A D S S+ 0 0 38 -107,-2.7 49,-2.8 1,-0.3 2,-0.3 0.655 72.5 24.7 -98.2 -27.8 14.1 -9.5 3.2 111 111 A K E -bF 4 158A 56 -108,-2.0 -106,-2.4 47,-0.2 2,-0.4 -0.970 58.2-160.9-145.0 147.8 12.2 -8.6 6.4 112 112 A M E -bF 5 157A 0 45,-2.4 45,-2.7 -2,-0.3 2,-0.6 -0.997 2.2-168.1-133.1 133.2 10.6 -5.7 8.1 113 113 A I E -bF 6 156A 2 -108,-3.0 -106,-1.9 -2,-0.4 2,-0.4 -0.926 24.3-176.1-118.0 102.2 9.8 -5.4 11.8 114 114 A L E -bF 7 155A 0 41,-3.3 41,-3.2 -2,-0.6 2,-0.6 -0.848 25.6-157.7-112.4 129.7 7.5 -2.4 12.1 115 115 A T E -bF 8 154A 0 -108,-2.7 -106,-3.3 -2,-0.4 2,-0.5 -0.932 20.0-166.4 -94.2 122.1 5.9 -0.7 15.2 116 116 A I E -bF 9 153A 33 37,-2.7 37,-1.9 -2,-0.6 2,-0.5 -0.956 5.7-152.5-116.0 120.6 2.9 1.2 13.9 117 117 A I E -bF 10 152A 0 -108,-3.0 2,-2.0 -2,-0.5 -106,-0.8 -0.778 14.7-135.1 -95.4 127.6 1.4 3.8 16.3 118 118 A N S S+ 0 0 100 33,-2.5 2,-0.3 -2,-0.5 -108,-0.1 -0.527 77.2 79.7 -80.9 73.7 -2.4 4.5 15.9 119 119 A H S S- 0 0 82 -2,-2.0 -108,-1.6 31,-0.1 2,-0.6 -0.941 76.2-120.3-168.9 155.1 -1.9 8.3 16.2 120 120 A S - 0 0 73 -2,-0.3 2,-0.2 -110,-0.2 -2,-0.1 -0.943 33.9-177.2-111.3 112.1 -0.9 11.2 13.9 121 121 A F - 0 0 35 -2,-0.6 2,-0.4 -107,-0.1 -107,-0.1 -0.476 29.4-106.7 -96.3 172.7 2.2 13.1 15.1 122 122 A E + 0 0 154 -100,-0.2 2,-0.3 -2,-0.2 -1,-0.0 -0.857 59.2 123.6 -99.8 134.7 3.9 16.2 13.6 123 123 A G - 0 0 24 -2,-0.4 -106,-0.3 1,-0.1 3,-0.1 -0.975 56.2-122.9-176.1-176.1 7.2 15.6 11.9 124 124 A D S S+ 0 0 78 -108,-2.1 2,-0.4 -2,-0.3 -107,-0.2 0.507 79.3 59.5-128.7 -11.9 9.4 15.9 8.9 125 125 A V E -H 16 0B 55 -109,-1.6 -110,-2.6 -26,-0.0 -109,-1.3 -0.970 56.8-164.2-133.4 149.5 10.6 12.4 7.8 126 126 A Y E -H 14 0B 115 -2,-0.4 -112,-0.2 -112,-0.3 -113,-0.1 -0.846 26.2-110.2-129.8 154.3 8.9 9.2 6.8 127 127 A F - 0 0 2 -114,-2.8 -28,-0.1 -2,-0.3 3,-0.1 -0.596 55.3 -94.2 -75.3 145.7 9.5 5.5 6.3 128 128 A P - 0 0 21 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.341 37.1-108.4 -67.7 144.7 9.5 4.5 2.6 129 129 A E - 0 0 147 -3,-0.1 2,-0.3 1,-0.0 -3,-0.0 -0.566 38.2-152.0 -66.7 129.4 6.2 3.3 1.1 130 130 A W - 0 0 59 -2,-0.3 2,-0.8 -3,-0.1 3,-0.0 -0.698 21.3-104.8-104.1 157.9 6.6 -0.4 0.4 131 131 A N > - 0 0 72 -2,-0.3 3,-2.4 1,-0.2 4,-0.5 -0.744 22.3-154.7 -85.4 113.6 4.8 -2.4 -2.3 132 132 A D T 3 S+ 0 0 107 -2,-0.8 3,-0.4 1,-0.3 -1,-0.2 0.707 93.5 62.1 -64.3 -19.1 2.0 -4.4 -0.7 133 133 A K T 3 S+ 0 0 153 1,-0.2 -1,-0.3 3,-0.0 29,-0.1 0.603 102.2 52.6 -74.7 -13.3 2.2 -6.9 -3.5 134 134 A E S < S+ 0 0 82 -3,-2.4 26,-3.1 26,-0.1 2,-0.3 0.540 104.5 56.4-100.7 -9.9 5.8 -7.8 -2.6 135 135 A W E -G 159 0A 15 -4,-0.5 2,-0.4 -3,-0.4 24,-0.2 -0.927 60.3-152.3-132.9 144.1 5.5 -8.6 1.1 136 136 A K E -G 158 0A 115 22,-2.9 22,-2.5 -2,-0.3 2,-0.5 -0.936 26.3-116.9-116.5 144.6 3.5 -11.0 3.3 137 137 A I E +G 157 0A 93 -2,-0.4 20,-0.3 20,-0.2 3,-0.1 -0.667 32.6 172.3 -77.0 123.1 2.5 -10.4 6.9 138 138 A T E + 0 0 79 18,-2.5 2,-0.3 -2,-0.5 19,-0.2 0.535 69.4 11.3-106.4 -17.1 4.1 -13.1 9.2 139 139 A S E +G 156 0A 43 17,-1.3 17,-3.0 2,-0.0 -1,-0.4 -0.908 55.9 179.1-161.4 136.0 3.0 -11.6 12.5 140 140 A Q E +G 155 0A 107 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.953 6.5 174.1-140.6 122.5 0.6 -8.9 13.7 141 141 A I E -G 154 0A 84 13,-2.2 13,-2.3 -2,-0.3 2,-0.3 -0.972 14.2-157.0-131.4 115.1 0.1 -8.0 17.4 142 142 A K E -G 153 0A 150 -2,-0.4 2,-0.4 11,-0.2 11,-0.3 -0.736 6.9-163.3 -97.3 141.4 -2.1 -5.0 18.5 143 143 A H E -G 152 0A 69 9,-3.6 9,-2.1 -2,-0.3 2,-0.1 -0.983 13.0-135.4-126.4 131.7 -1.7 -3.3 21.8 144 144 A E - 0 0 155 -2,-0.4 6,-0.1 7,-0.2 0, 0.0 -0.437 39.7 -92.0 -72.6 155.7 -4.1 -1.0 23.6 145 145 A R 0 0 139 4,-0.2 -1,-0.1 -2,-0.1 7,-0.0 -0.244 360.0 360.0 -63.3 159.3 -2.7 2.2 25.2 146 146 A D 0 0 134 2,-4.0 -1,-0.1 4,-0.1 4,-0.1 -0.978 360.0 360.0-118.6 360.0 -1.6 2.2 28.9 147 ! 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 0.0 148 149 A N 0 0 43 0, 0.0 -2,-4.0 0, 0.0 -123,-0.1 0.000 360.0 360.0 360.0 94.1 2.4 3.8 26.5 149 150 A P + 0 0 58 0, 0.0 -4,-0.2 0, 0.0 -124,-0.1 0.409 360.0 59.9 -85.6 5.1 -0.3 6.5 25.9 150 151 A Y S S- 0 0 57 -6,-0.1 -4,-0.1 -4,-0.1 -31,-0.1 -0.976 88.4-111.2-126.0 143.2 -1.0 5.6 22.2 151 152 A P + 0 0 33 0, 0.0 -33,-2.5 0, 0.0 2,-0.3 -0.446 46.0 174.3 -67.2 148.5 -2.3 2.3 20.9 152 153 A F E -FG 117 143A 11 -9,-2.1 -9,-3.6 -35,-0.3 2,-0.3 -0.974 21.4-151.1-151.5 161.0 0.2 0.5 18.8 153 154 A Q E -FG 116 142A 34 -37,-1.9 -37,-2.7 -2,-0.3 2,-0.6 -0.977 15.6-135.1-132.9 151.6 0.9 -2.8 16.9 154 155 A F E -FG 115 141A 33 -13,-2.3 -13,-2.2 -2,-0.3 2,-0.5 -0.946 27.8-173.8-101.3 121.3 4.0 -4.8 16.0 155 156 A L E -FG 114 140A 14 -41,-3.2 -41,-3.3 -2,-0.6 2,-0.4 -0.979 6.1-165.6-119.5 122.6 3.8 -5.9 12.3 156 157 A E E -FG 113 139A 46 -17,-3.0 -18,-2.5 -2,-0.5 -17,-1.3 -0.932 8.8-174.9-108.7 134.9 6.4 -8.3 10.8 157 158 A L E -FG 112 137A 4 -45,-2.7 -45,-2.4 -2,-0.4 2,-0.4 -0.952 10.4-160.7-128.6 147.5 6.6 -8.7 7.1 158 159 A R E -FG 111 136A 81 -22,-2.5 -22,-2.9 -2,-0.3 -47,-0.2 -0.986 30.7-107.9-127.6 137.9 8.7 -11.0 4.9 159 160 A R E - G 0 135A 56 -49,-2.8 -24,-0.3 -2,-0.4 -25,-0.1 -0.420 40.5-141.3 -67.4 142.9 9.4 -10.4 1.3 160 161 A L - 0 0 68 -26,-3.1 2,-0.1 -2,-0.1 -1,-0.1 0.039 8.4-129.3 -89.2-173.1 7.6 -12.8 -1.1 161 162 A E - 0 0 171 6,-0.1 6,-0.1 -26,-0.0 5,-0.1 -0.621 49.9 -85.6-144.7 91.7 8.2 -14.8 -4.3 162 163 A N > - 0 0 90 3,-0.1 4,-2.7 -2,-0.1 3,-0.3 0.750 21.7-126.1 33.8 118.1 5.5 -14.3 -7.1 163 164 A L T 4 S+ 0 0 127 1,-0.2 -1,-0.1 2,-0.2 0, 0.0 0.836 108.6 54.2 -55.9 -40.3 2.2 -16.3 -7.6 164 165 A Y T 4 S+ 0 0 197 1,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.918 122.9 26.0 -62.7 -42.6 3.0 -17.3 -11.2 165 166 A F T 4 S+ 0 0 163 -3,-0.3 -2,-0.2 2,-0.0 -1,-0.2 0.650 95.1 119.5 -96.9 -18.1 6.4 -18.9 -10.2 166 167 A Q < - 0 0 77 -4,-2.7 2,-0.1 -5,-0.1 -4,-0.1 0.019 61.9-119.4 -54.5 150.8 5.8 -19.8 -6.6 167 168 A G - 0 0 66 -6,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.437 28.3-130.0 -77.0 163.9 6.0 -23.4 -5.2 168 169 A H - 0 0 106 -2,-0.1 3,-0.0 1,-0.1 -1,-0.0 -0.925 5.4-134.4-123.0 148.4 2.9 -24.8 -3.6 169 170 A H S S+ 0 0 173 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.808 87.9 34.9 -69.9 -32.8 2.5 -26.6 -0.3 170 171 A H - 0 0 157 2,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.957 58.7-176.2-132.0 144.2 0.4 -29.5 -1.5 171 172 A H 0 0 151 -2,-0.4 0, 0.0 -3,-0.0 0, 0.0 -0.999 360.0 360.0-138.2 132.8 0.3 -31.5 -4.7 172 173 A H 0 0 246 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.437 360.0 360.0 -68.4 360.0 -2.2 -34.3 -5.6