==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-MAY-13 4KJJ . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.VAN DEN BEDEM,G.BHABHA,K.YANG,P.E.WRIGHT,J.S.FRASER . 160 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8437.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 17.5 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 15 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 16.9 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 2 1 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 1 2 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 PARALLEL BRIDGES PER LADDER . 3 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 . 0 1 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 0 101 0, 0.0 90,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 140.4 21.6 -2.9 -10.7 2 2 A I E +a 91 0A 17 104,-0.4 106,-3.0 88,-0.2 107,-1.0 -0.932 360.0 179.8-116.4 132.3 18.4 -1.6 -12.2 3 3 A S E -ab 92 109A 0 88,-2.9 90,-3.0 -2,-0.4 2,-0.4 -0.937 17.4-145.1-123.5 150.1 15.3 -3.7 -13.0 4 4 A L E -ab 93 110A 0 105,-2.1 107,-2.9 -2,-0.3 2,-0.4 -0.969 12.8-167.7-110.2 134.3 11.9 -2.9 -14.5 5 5 A I E + b 0 111A 0 88,-2.2 2,-0.3 -2,-0.4 107,-0.2 -0.975 22.1 147.8-117.9 136.2 8.8 -4.7 -13.4 6 6 A A E - b 0 112A 0 105,-2.6 107,-2.4 -2,-0.4 2,-0.4 -0.987 41.8-129.5-158.5 161.3 5.6 -4.4 -15.3 7 7 A A E - b 0 113A 5 -2,-0.3 2,-0.5 105,-0.2 107,-0.2 -0.988 27.6-160.2-120.1 126.3 2.4 -6.1 -16.4 8 8 A L E - b 0 114A 10 105,-3.0 107,-3.1 -2,-0.4 6,-0.2 -0.920 7.1-164.2-116.8 119.6 1.6 -6.0 -20.1 9 9 A A B >> -H 13 0B 4 4,-3.1 3,-1.4 -2,-0.5 4,-0.5 -0.303 57.9 -50.0 -78.6 177.5 -1.8 -6.5 -21.8 10 10 A V G >4 S+ 0 0 58 107,-2.3 3,-1.3 105,-0.3 109,-0.3 -0.142 131.8 20.3 -51.7 144.5 -2.0 -7.2 -25.5 11 11 A D G 34 S- 0 0 123 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.693 131.7 -73.1 64.9 20.7 0.0 -4.8 -27.7 12 12 A R G <4 S+ 0 0 83 -3,-1.4 113,-2.4 1,-0.2 2,-0.3 0.715 80.9 167.4 72.2 18.8 2.1 -3.8 -24.6 13 13 A V E << +HI 9 124B 6 -3,-1.3 -4,-3.1 -4,-0.5 111,-0.3 -0.524 11.6 166.9 -69.7 129.5 -0.8 -1.9 -23.1 14 14 A I E + 0 0 19 109,-2.9 2,-0.3 1,-0.3 110,-0.2 0.509 56.3 5.7-119.5 -10.8 -0.1 -1.0 -19.5 15 15 A G E - I 0 123B 6 108,-1.2 107,-2.4 5,-0.1 108,-1.3 -0.994 43.8-159.6-168.1 161.7 -2.8 1.6 -18.6 16 16 A M B > S-J 19 0C 47 3,-2.4 3,-1.7 -2,-0.3 105,-0.1 -0.951 81.9 -9.3-147.1 131.2 -5.8 3.7 -19.5 17 17 A E T 3 S- 0 0 165 -2,-0.3 3,-0.1 1,-0.3 104,-0.0 0.875 128.6 -54.8 48.4 45.6 -7.0 6.9 -18.0 18 18 A N T 3 S+ 0 0 73 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.714 121.7 89.5 59.8 32.2 -4.4 6.6 -15.2 19 19 A A B < S-J 16 0C 51 -3,-1.7 -3,-2.4 31,-0.0 -1,-0.2 -0.904 80.4-109.9-143.1 167.1 -5.5 3.1 -14.1 20 20 A M - 0 0 53 -2,-0.3 2,-1.9 -5,-0.2 -5,-0.1 -0.946 29.1-140.2-101.9 116.1 -4.7 -0.5 -14.9 21 21 A P S S+ 0 0 56 0, 0.0 2,-0.3 0, 0.0 -6,-0.1 -0.316 73.4 56.8 -80.1 54.6 -7.8 -2.0 -16.7 22 22 A W - 0 0 35 -2,-1.9 2,-0.3 97,-0.0 -2,-0.2 -0.946 69.4-132.2-164.8 173.9 -7.7 -5.5 -15.1 23 23 A N + 0 0 108 -2,-0.3 125,-0.7 4,-0.0 3,-0.1 -0.840 33.1 156.8-138.5 93.1 -7.8 -7.1 -11.7 24 24 A L >> + 0 0 3 -2,-0.3 4,-2.2 123,-0.1 3,-1.0 -0.691 11.6 177.2-121.4 77.6 -5.2 -9.8 -11.1 25 25 A P H 3> S+ 0 0 53 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.791 85.9 57.1 -50.0 -28.8 -4.6 -10.1 -7.3 26 26 A A H 3> S+ 0 0 28 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.897 105.6 48.9 -68.6 -41.0 -2.2 -12.9 -8.2 27 27 A D H <> S+ 0 0 0 -3,-1.0 4,-2.5 1,-0.2 -1,-0.2 0.912 109.3 52.6 -62.5 -42.7 -0.2 -10.5 -10.4 28 28 A L H X S+ 0 0 47 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.859 106.2 53.7 -63.5 -34.3 -0.2 -8.0 -7.5 29 29 A A H X S+ 0 0 59 -4,-1.7 4,-2.6 -5,-0.2 -1,-0.2 0.892 108.8 49.4 -66.1 -40.0 1.2 -10.7 -5.2 30 30 A W H X S+ 0 0 5 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.915 110.6 50.5 -60.9 -45.8 4.0 -11.3 -7.7 31 31 A F H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 3,-0.3 0.939 111.8 47.5 -58.1 -48.5 4.7 -7.6 -7.8 32 32 A K H >X S+ 0 0 106 -4,-2.5 4,-2.2 1,-0.2 3,-0.6 0.945 110.4 50.9 -60.5 -45.3 4.8 -7.3 -4.0 33 33 A R H 3< S+ 0 0 158 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.774 114.6 44.6 -66.4 -23.9 7.1 -10.4 -3.6 34 34 A N H 3< S+ 0 0 15 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.646 120.6 36.8 -94.3 -15.5 9.6 -8.9 -6.2 35 35 A T H X< S+ 0 0 0 -4,-1.5 3,-1.5 -3,-0.6 -2,-0.2 0.604 83.0 118.2-108.8 -16.5 9.7 -5.3 -4.9 36 36 A L T 3< S+ 0 0 69 -4,-2.2 21,-0.2 1,-0.3 20,-0.1 -0.220 85.7 9.5 -57.2 140.8 9.5 -5.7 -1.1 37 37 A N T 3 S+ 0 0 134 19,-2.3 -1,-0.3 1,-0.2 20,-0.2 0.797 111.7 99.7 58.1 31.9 12.5 -4.4 0.8 38 38 A K S < S- 0 0 42 -3,-1.5 -1,-0.2 18,-0.2 20,-0.2 -0.974 81.9-100.7-135.8 150.0 13.8 -2.7 -2.4 39 39 A P - 0 0 9 0, 0.0 53,-2.6 0, 0.0 2,-0.4 -0.529 34.9-152.7 -67.0 138.4 13.6 0.9 -3.5 40 40 A V E -cd 59 92A 0 18,-2.8 20,-2.4 -2,-0.2 2,-0.4 -0.920 4.2-158.8-110.5 138.2 10.9 1.6 -6.1 41 41 A I E +cd 60 93A 0 51,-2.3 53,-2.8 -2,-0.4 54,-0.4 -0.976 20.8 165.4-114.0 130.1 11.1 4.4 -8.6 42 42 A M E -c 61 0A 0 18,-2.6 20,-2.8 -2,-0.4 54,-0.3 -0.980 34.7-110.6-141.0 155.8 7.9 5.7 -10.2 43 43 A G E > -c 62 0A 7 52,-2.2 4,-2.5 -2,-0.3 3,-0.3 -0.393 39.3-104.8 -78.3 163.3 6.7 8.7 -12.2 44 44 A R H > S+ 0 0 78 18,-1.3 4,-2.5 1,-0.2 5,-0.2 0.888 119.6 54.6 -58.7 -40.5 4.3 11.2 -10.8 45 45 A H H > S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.920 109.5 47.1 -62.1 -39.3 1.3 9.8 -12.7 46 46 A T H > S+ 0 0 19 -3,-0.3 4,-3.0 2,-0.2 5,-0.3 0.905 109.2 55.2 -65.8 -41.6 1.9 6.3 -11.4 47 47 A W H X S+ 0 0 20 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.934 111.5 44.4 -51.5 -46.8 2.3 7.8 -7.9 48 48 A E H < S+ 0 0 99 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.884 111.6 53.1 -68.3 -37.0 -1.1 9.4 -8.4 49 49 A S H < S+ 0 0 49 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.949 111.5 44.5 -63.2 -50.6 -2.6 6.2 -9.8 50 50 A I H < S- 0 0 17 -4,-3.0 -2,-0.2 -5,-0.1 -1,-0.2 0.962 94.2-158.3 -57.5 -53.2 -1.4 4.1 -6.9 51 51 A G < + 0 0 35 -4,-2.6 -3,-0.1 -5,-0.3 -1,-0.1 0.431 59.0 37.1 94.5 1.6 -2.7 6.8 -4.6 52 52 A R S S- 0 0 158 -5,-0.3 -1,-0.0 3,-0.0 -2,-0.0 -0.952 95.7 -71.6-175.0 155.6 -0.6 6.0 -1.5 53 53 A P - 0 0 34 0, 0.0 19,-0.1 0, 0.0 5,-0.1 -0.217 41.7-122.1 -58.2 150.2 2.8 4.8 -0.5 54 54 A L > - 0 0 6 3,-0.1 3,-0.9 -14,-0.1 -14,-0.1 -0.850 37.6-126.7 -87.4 113.1 3.8 1.2 -1.1 55 55 A P T 3 S+ 0 0 95 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.251 85.2 23.5 -61.8 151.2 4.7 -0.1 2.4 56 56 A G T 3 S+ 0 0 48 1,-0.2 -19,-2.3 -20,-0.1 2,-0.3 0.627 107.3 88.3 76.0 12.3 8.0 -1.8 3.1 57 57 A R S < S- 0 0 21 -3,-0.9 2,-0.7 -20,-0.2 -1,-0.2 -0.986 83.7-112.3-137.8 142.5 9.7 -0.1 0.1 58 58 A K - 0 0 100 -2,-0.3 -18,-2.8 -20,-0.2 2,-0.6 -0.726 37.7-144.7 -74.2 119.6 11.6 3.2 -0.3 59 59 A N E -c 40 0A 8 -2,-0.7 14,-2.9 12,-0.3 2,-0.5 -0.779 19.4-176.6 -91.5 119.0 9.2 5.2 -2.6 60 60 A I E -ce 41 73A 0 -20,-2.4 -18,-2.6 -2,-0.6 2,-0.5 -0.977 6.4-163.7-119.5 125.5 11.0 7.5 -5.0 61 61 A I E -ce 42 74A 0 12,-3.1 14,-2.4 -2,-0.5 2,-0.5 -0.926 10.3-142.9-116.1 125.4 8.9 9.7 -7.2 62 62 A L E +ce 43 75A 21 -20,-2.8 -18,-1.3 -2,-0.5 2,-0.3 -0.719 37.2 142.7 -82.4 129.4 10.1 11.5 -10.3 63 63 A S - 0 0 16 12,-2.5 4,-0.1 -2,-0.5 -2,-0.0 -0.945 49.6-142.5-159.5 146.3 8.6 15.0 -11.0 64 64 A S S S+ 0 0 112 -2,-0.3 12,-0.1 2,-0.1 3,-0.1 0.495 87.9 74.8 -82.0 -3.1 10.0 18.2 -12.3 65 65 A Q S S- 0 0 118 10,-0.1 3,-0.1 1,-0.1 -2,-0.1 -0.654 100.6 -80.1-108.4 162.2 7.8 20.0 -9.7 66 66 A P - 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.355 58.4-101.0 -58.0 137.6 8.2 20.4 -5.9 67 67 A G - 0 0 35 1,-0.1 3,-0.1 -4,-0.1 7,-0.0 -0.203 25.7-160.2 -60.0 161.3 7.1 17.3 -4.0 68 68 A T S S+ 0 0 110 1,-0.2 2,-0.2 -3,-0.1 -1,-0.1 -0.048 72.2 44.0-133.6 21.2 3.7 17.2 -2.4 69 69 A D > - 0 0 35 3,-0.2 3,-1.2 1,-0.0 -1,-0.2 -0.661 55.5-160.3-172.4 112.0 4.1 14.4 0.2 70 70 A D T 3 S+ 0 0 155 1,-0.3 4,-0.0 -2,-0.2 -1,-0.0 0.424 82.1 84.2 -85.8 6.8 7.0 13.7 2.5 71 71 A R T 3 S+ 0 0 161 2,-0.0 2,-0.3 -18,-0.0 -12,-0.3 0.592 100.9 38.9 -73.9 -10.5 6.0 10.1 3.1 72 72 A V S < S- 0 0 9 -3,-1.2 2,-0.4 -14,-0.1 -12,-0.2 -0.862 92.0-107.8-133.6 163.1 8.0 9.5 -0.1 73 73 A T E -e 60 0A 52 -14,-2.9 -12,-3.1 -2,-0.3 2,-0.4 -0.796 28.7-151.2 -95.2 139.0 11.2 10.9 -1.7 74 74 A W E +e 61 0A 38 -2,-0.4 2,-0.3 -14,-0.2 -12,-0.2 -0.915 16.1 176.2-114.6 138.4 11.0 13.3 -4.7 75 75 A V E -e 62 0A 4 -14,-2.4 -12,-2.5 -2,-0.4 -10,-0.1 -0.949 26.2-147.4-140.0 156.8 13.6 13.7 -7.4 76 76 A K S S+ 0 0 129 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.1 0.188 76.2 33.2-114.9 13.7 13.9 15.7 -10.6 77 77 A S S > S- 0 0 54 1,-0.1 4,-2.5 -14,-0.0 5,-0.1 -0.979 77.0-111.5-162.5 158.7 16.0 13.5 -12.8 78 78 A V H > S+ 0 0 19 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.918 118.9 47.0 -56.3 -46.1 16.7 9.8 -13.6 79 79 A D H > S+ 0 0 101 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.824 110.9 51.1 -73.7 -30.2 20.2 10.0 -12.2 80 80 A E H > S+ 0 0 87 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.889 109.0 52.8 -65.6 -40.4 19.0 11.8 -9.1 81 81 A A H X S+ 0 0 0 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.927 110.2 47.1 -60.0 -46.5 16.4 9.0 -8.7 82 82 A I H >X S+ 0 0 41 -4,-2.3 3,-1.3 1,-0.2 4,-0.6 0.947 112.0 50.0 -60.4 -48.3 19.1 6.4 -9.0 83 83 A A H >< S+ 0 0 72 -4,-2.3 3,-1.7 1,-0.3 -2,-0.2 0.896 103.3 60.2 -56.4 -42.8 21.3 8.2 -6.4 84 84 A A H 3< S+ 0 0 24 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.701 94.7 64.8 -61.7 -22.3 18.4 8.5 -4.0 85 85 A C H << S- 0 0 6 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.773 93.0-162.5 -66.6 -27.2 18.3 4.7 -3.9 86 86 A G << - 0 0 45 -3,-1.7 2,-1.2 -4,-0.6 -1,-0.2 -0.223 47.5 -22.1 70.8-166.0 21.7 4.6 -2.3 87 87 A D S S+ 0 0 179 2,-0.0 -1,-0.1 -4,-0.0 -4,-0.0 -0.659 87.1 143.6 -82.3 95.1 23.9 1.5 -2.2 88 88 A V - 0 0 46 -2,-1.2 3,-0.1 1,-0.1 -50,-0.1 -0.942 57.7-121.3-132.3 157.6 21.4 -1.3 -2.6 89 89 A P S S+ 0 0 120 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.802 94.0 12.9 -70.1 -26.7 21.6 -4.6 -4.5 90 90 A E - 0 0 24 2,-0.0 2,-0.5 -88,-0.0 -88,-0.2 -0.943 59.3-155.0-159.1 126.5 18.6 -4.0 -6.8 91 91 A I E -a 2 0A 9 -90,-2.7 -88,-2.9 -2,-0.3 2,-0.6 -0.906 16.7-149.0-102.4 126.9 16.5 -0.9 -7.8 92 92 A M E -ad 3 40A 0 -53,-2.6 -51,-2.3 -2,-0.5 2,-0.6 -0.859 3.2-158.5-101.1 118.3 13.0 -1.6 -9.0 93 93 A V E -ad 4 41A 0 -90,-3.0 -88,-2.2 -2,-0.6 -51,-0.2 -0.870 9.2-175.5 -93.8 123.8 11.5 0.8 -11.6 94 94 A I - 0 0 1 -53,-2.8 -52,-0.2 -2,-0.6 2,-0.1 0.141 31.7-168.6-116.2 19.6 7.7 0.5 -11.4 95 95 A G - 0 0 0 -54,-0.4 -52,-2.2 1,-0.2 -1,-0.4 -0.403 45.4-142.1 101.6-172.2 6.6 2.7 -14.3 96 96 A G > - 0 0 14 -54,-0.3 4,-3.1 -2,-0.1 5,-0.2 0.320 54.4 -94.4 -91.3-147.6 4.8 4.3 -15.9 97 97 A G H > S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.904 123.5 49.3 -54.9 -45.6 5.3 4.3 -19.7 98 98 A R H > S+ 0 0 176 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.886 115.7 43.2 -62.2 -42.3 7.3 7.5 -19.6 99 99 A V H > S+ 0 0 8 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.880 109.5 56.3 -74.5 -38.7 9.6 6.3 -16.8 100 100 A Y H X S+ 0 0 8 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.911 103.9 55.5 -57.6 -43.0 10.0 2.8 -18.3 101 101 A E H < S+ 0 0 123 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.892 110.1 45.1 -57.6 -41.4 11.3 4.3 -21.6 102 102 A Q H < S+ 0 0 102 -4,-1.1 4,-0.4 1,-0.2 -1,-0.2 0.909 117.0 42.6 -72.6 -40.6 14.0 6.2 -19.8 103 103 A F H >X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 3,-0.7 0.725 91.0 86.3 -81.7 -19.3 15.2 3.4 -17.5 104 104 A L G >< S+ 0 0 30 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.901 88.6 50.2 -46.2 -53.0 15.1 0.7 -20.1 105 105 A P G 34 S+ 0 0 92 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.868 115.1 43.9 -56.5 -37.1 18.7 1.4 -21.4 106 106 A K G <4 S+ 0 0 91 -3,-0.7 -104,-0.4 -4,-0.4 -2,-0.2 0.681 94.7 103.7 -78.4 -20.7 20.1 1.3 -17.9 107 107 A A << - 0 0 0 -4,-1.7 -104,-0.2 -3,-0.7 3,-0.1 -0.388 43.7-177.3 -72.4 142.2 18.1 -1.8 -16.9 108 108 A Q S S+ 0 0 90 -106,-3.0 50,-2.3 1,-0.2 2,-0.3 0.449 71.2 36.5-105.4 -9.8 19.8 -5.2 -16.6 109 109 A K E -bF 3 157A 39 -107,-1.0 -105,-2.1 48,-0.2 2,-0.4 -0.995 60.1-158.3-151.9 141.3 16.6 -7.2 -15.8 110 110 A L E -bF 4 156A 0 46,-2.6 46,-2.6 -2,-0.3 2,-0.6 -0.994 3.7-165.9-124.2 134.4 12.9 -7.2 -16.7 111 111 A Y E +bF 5 155A 6 -107,-2.9 -105,-2.6 -2,-0.4 2,-0.5 -0.951 26.0 177.5-114.3 103.9 10.1 -8.8 -14.7 112 112 A L E -bF 6 154A 0 42,-2.0 42,-2.8 -2,-0.6 2,-0.7 -0.930 24.2-161.7-116.3 131.5 7.2 -8.9 -17.1 113 113 A T E -bF 7 153A 0 -107,-2.4 -105,-3.0 -2,-0.5 2,-0.8 -0.933 13.9-154.3-106.4 110.4 3.7 -10.3 -16.6 114 114 A H E -bF 8 152A 68 38,-2.3 38,-1.9 -2,-0.7 2,-0.5 -0.763 13.6-158.8 -86.4 112.6 2.1 -10.9 -20.0 115 115 A I E - F 0 151A 4 -107,-3.1 2,-2.1 -2,-0.8 -105,-0.3 -0.826 19.0-133.7 -97.5 127.6 -1.7 -10.6 -19.4 116 116 A D + 0 0 85 34,-3.1 34,-0.4 -2,-0.5 2,-0.4 -0.540 64.4 125.4 -77.8 76.5 -4.1 -12.3 -21.8 117 117 A A - 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