==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-MAR-11 3R33 . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR E.J.COLLINS,A.L.LEE,M.J.CARROLL,R.V.MAULDIN,A.V.GROMOVA,S.F. . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8760.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 15.1 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 . 2 1.3 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 . 18 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 15.7 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 1 2 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 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 . 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 0 108 0, 0.0 90,-3.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 109.0 21.1 -3.7 -10.5 2 2 A I E -a 91 0A 20 104,-0.4 106,-3.4 88,-0.2 107,-1.0 -0.824 360.0-178.4 -95.9 127.2 18.1 -1.8 -12.0 3 3 A S E -ab 92 109A 0 88,-2.7 90,-2.7 -2,-0.5 2,-0.4 -0.998 17.5-146.7-130.8 134.0 15.0 -3.9 -12.7 4 4 A L E -ab 93 110A 0 105,-2.0 107,-2.3 -2,-0.4 2,-0.4 -0.820 12.9-166.0 -96.8 138.7 11.7 -2.8 -14.3 5 5 A I E + b 0 111A 6 88,-2.6 2,-0.3 -2,-0.4 107,-0.2 -0.997 21.5 149.9-126.1 127.6 8.5 -4.5 -13.1 6 6 A A E - b 0 112A 7 105,-2.2 107,-1.8 -2,-0.4 2,-0.5 -0.991 42.1-128.9-154.2 157.5 5.2 -4.1 -15.1 7 7 A A E - b 0 113A 11 -2,-0.3 2,-0.5 105,-0.2 107,-0.2 -0.944 29.5-169.2-113.0 112.5 1.9 -5.8 -16.1 8 8 A L E - b 0 114A 7 105,-2.4 107,-3.3 -2,-0.5 6,-0.2 -0.924 5.5-170.4-109.1 128.0 1.2 -5.8 -19.9 9 9 A A > - 0 0 7 4,-2.6 3,-1.4 -2,-0.5 4,-0.3 -0.269 56.9 -34.7 -96.0-168.9 -2.0 -6.7 -21.6 10 10 A V G > S+ 0 0 45 107,-1.7 3,-1.2 1,-0.2 -1,-0.3 -0.167 134.5 13.2 -51.3 137.7 -2.5 -7.3 -25.3 11 11 A D G 3 S- 0 0 130 1,-0.2 -1,-0.2 -3,-0.1 114,-0.0 0.667 128.8 -73.5 63.7 29.1 -0.3 -4.9 -27.5 12 12 A R G < S+ 0 0 85 -3,-1.4 113,-2.6 1,-0.2 2,-0.3 0.686 79.6 167.5 62.4 24.4 1.8 -3.9 -24.4 13 13 A V E < +H 124 0B 6 -3,-1.2 -4,-2.6 -4,-0.3 111,-0.3 -0.560 10.2 169.5 -71.3 129.4 -1.1 -1.8 -23.0 14 14 A I E + 0 0 19 109,-2.3 2,-0.3 -2,-0.3 110,-0.2 0.501 56.0 5.9-117.0 -13.3 -0.3 -0.9 -19.3 15 15 A G E -H 123 0B 7 108,-1.2 107,-2.1 5,-0.1 108,-1.4 -0.993 42.7-157.0-168.4 160.8 -2.9 1.7 -18.5 16 16 A M B > S-I 19 0C 58 3,-2.3 3,-1.8 -2,-0.3 105,-0.1 -0.968 84.8 -18.7-146.7 122.9 -6.0 3.8 -19.3 17 17 A E T 3 S- 0 0 151 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.847 127.5 -50.5 45.1 51.3 -6.8 7.1 -17.7 18 18 A N T 3 S+ 0 0 105 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.652 120.2 98.0 61.0 25.3 -4.4 6.5 -14.7 19 19 A A B < S-I 16 0C 52 -3,-1.8 -3,-2.3 2,-0.0 -1,-0.2 -0.884 73.4-128.3-130.9 163.0 -5.8 3.0 -13.9 20 20 A M - 0 0 111 -2,-0.3 2,-1.7 -5,-0.2 -5,-0.1 -0.972 31.3-149.1-107.8 100.4 -4.8 -0.6 -14.7 21 21 A P + 0 0 55 0, 0.0 2,-0.3 0, 0.0 99,-0.1 -0.441 57.8 84.5 -84.8 70.7 -8.2 -1.8 -16.1 22 22 A W S S- 0 0 39 -2,-1.7 2,-0.7 97,-0.0 -2,-0.1 -0.973 71.0-125.2-158.3 154.9 -8.2 -5.5 -15.2 23 23 A N + 0 0 91 -2,-0.3 125,-1.6 1,-0.0 126,-0.3 -0.895 53.5 135.9-107.5 95.4 -9.1 -7.7 -12.3 24 24 A L >> + 0 0 8 -2,-0.7 3,-1.4 123,-0.2 4,-0.8 -0.568 20.2 170.9-143.8 76.2 -6.0 -9.8 -11.5 25 25 A P H 3> S+ 0 0 49 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.686 77.1 71.8 -62.8 -16.2 -5.0 -10.1 -7.8 26 26 A A H 3> S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.875 96.4 51.5 -65.5 -32.9 -2.4 -12.7 -8.7 27 27 A D H <> S+ 0 0 16 -3,-1.4 4,-2.9 2,-0.2 -1,-0.2 0.837 105.4 55.7 -68.6 -35.4 -0.3 -9.9 -10.2 28 28 A L H X S+ 0 0 118 -4,-0.8 4,-3.0 2,-0.2 -2,-0.2 0.960 110.0 44.3 -64.1 -46.9 -0.7 -7.8 -6.9 29 29 A A H X S+ 0 0 45 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.919 115.7 48.7 -61.9 -44.3 0.8 -10.7 -4.8 30 30 A W H X S+ 0 0 10 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.898 112.6 48.3 -58.2 -47.7 3.6 -11.2 -7.5 31 31 A F H X S+ 0 0 46 -4,-2.9 4,-1.0 2,-0.2 3,-0.2 0.964 114.4 45.3 -59.8 -49.7 4.3 -7.4 -7.5 32 32 A K H >X S+ 0 0 121 -4,-3.0 4,-2.2 1,-0.2 3,-0.8 0.928 113.0 51.0 -58.9 -47.8 4.4 -7.4 -3.6 33 33 A R H 3< S+ 0 0 158 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.799 115.2 42.1 -56.8 -38.9 6.7 -10.5 -3.5 34 34 A N H 3< S+ 0 0 27 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.508 121.9 36.5 -92.6 -9.1 9.1 -9.1 -6.0 35 35 A T H X< S+ 0 0 0 -4,-1.0 3,-1.3 -3,-0.8 -2,-0.2 0.524 81.9 119.4-116.5 -19.9 9.4 -5.5 -4.7 36 36 A L T 3< S+ 0 0 70 -4,-2.2 21,-0.2 1,-0.2 20,-0.1 -0.252 85.1 10.3 -53.5 135.4 9.1 -5.9 -0.9 37 37 A D T 3 S+ 0 0 133 19,-2.3 -1,-0.2 18,-0.2 20,-0.2 0.755 110.1 101.9 67.4 30.4 12.2 -4.7 0.9 38 38 A K S < S- 0 0 44 -3,-1.3 -1,-0.2 18,-0.3 53,-0.1 -0.981 81.5 -97.6-138.5 147.0 13.6 -3.0 -2.2 39 39 A P - 0 0 8 0, 0.0 53,-2.8 0, 0.0 2,-0.4 -0.416 37.5-150.2 -67.2 140.1 13.6 0.7 -3.3 40 40 A V E -cd 59 92A 0 18,-2.7 20,-3.2 51,-0.2 2,-0.5 -0.974 6.4-160.2-114.7 128.2 10.8 1.5 -5.7 41 41 A I E +cd 60 93A 0 51,-2.6 53,-2.5 -2,-0.4 54,-0.5 -0.946 20.6 164.6-109.1 129.5 11.1 4.3 -8.4 42 42 A M E -c 61 0A 0 18,-2.5 20,-2.9 -2,-0.5 54,-0.3 -0.957 34.7-112.0-142.6 156.9 7.9 5.7 -9.9 43 43 A G E > -c 62 0A 9 52,-1.9 4,-2.2 -2,-0.3 20,-0.1 -0.414 40.4-102.7 -79.9 162.6 6.8 8.7 -11.9 44 44 A R H > S+ 0 0 96 18,-1.0 4,-2.7 1,-0.2 5,-0.2 0.881 120.6 53.8 -54.4 -45.1 4.5 11.4 -10.4 45 45 A H H > S+ 0 0 75 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.896 110.3 46.3 -61.2 -40.4 1.4 10.1 -12.2 46 46 A T H > S+ 0 0 25 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.918 112.4 52.2 -66.3 -41.7 1.9 6.6 -10.8 47 47 A W H X S+ 0 0 14 -4,-2.2 4,-1.5 1,-0.2 3,-0.4 0.910 108.2 49.3 -58.5 -47.3 2.6 8.2 -7.3 48 48 A E H < S+ 0 0 111 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.863 108.2 56.3 -61.2 -34.4 -0.7 10.2 -7.4 49 49 A S H < S+ 0 0 66 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.787 108.2 44.8 -66.1 -37.9 -2.6 6.9 -8.4 50 50 A I H < S- 0 0 64 -4,-1.4 2,-0.7 -3,-0.4 -1,-0.2 0.731 84.9-164.6 -80.5 -26.3 -1.4 4.9 -5.3 51 51 A G < + 0 0 48 -4,-1.5 -1,-0.1 -5,-0.2 -3,-0.1 0.090 64.4 57.3 66.9 -21.3 -2.1 7.8 -2.9 52 52 A R S S- 0 0 174 -2,-0.7 2,-0.1 -5,-0.1 -2,-0.0 -0.979 95.2 -96.8-137.7 146.7 -0.0 6.3 -0.1 53 53 A P - 0 0 28 0, 0.0 5,-0.1 0, 0.0 19,-0.0 -0.405 44.9-109.2 -67.2 138.5 3.6 5.2 0.1 54 54 A L > - 0 0 32 1,-0.1 3,-0.7 -2,-0.1 -14,-0.1 -0.544 42.9-114.0 -64.7 122.5 4.1 1.4 -0.5 55 55 A P T 3 S+ 0 0 94 0, 0.0 -18,-0.2 0, 0.0 -1,-0.1 -0.298 90.6 16.9 -64.8 154.6 5.0 -0.2 2.9 56 56 A G T 3 S+ 0 0 49 1,-0.1 -19,-2.3 -20,-0.1 -18,-0.3 0.795 109.0 92.8 56.9 34.5 8.4 -1.8 3.6 57 57 A R S < S- 0 0 24 -3,-0.7 2,-0.4 -20,-0.2 -1,-0.1 -0.931 80.5-119.7-153.4 130.3 9.9 -0.0 0.5 58 58 A K - 0 0 100 -2,-0.3 -18,-2.7 -3,-0.1 2,-0.6 -0.605 36.1-143.2 -69.0 124.6 11.8 3.3 0.2 59 59 A N E -c 40 0A 9 -2,-0.4 14,-2.7 12,-0.2 2,-0.5 -0.884 17.3-171.2-100.4 119.0 9.5 5.2 -2.3 60 60 A I E -ce 41 73A 0 -20,-3.2 -18,-2.5 -2,-0.6 2,-0.5 -0.954 5.7-162.8-113.3 120.0 11.4 7.4 -4.8 61 61 A I E -ce 42 74A 0 12,-2.9 14,-2.5 -2,-0.5 2,-0.4 -0.924 9.1-144.1-109.5 128.2 9.2 9.7 -6.9 62 62 A L E +ce 43 75A 23 -20,-2.9 -18,-1.0 -2,-0.5 2,-0.3 -0.775 35.6 144.8 -91.7 131.0 10.4 11.4 -10.2 63 63 A S - 0 0 17 12,-2.4 4,-0.1 -2,-0.4 -2,-0.0 -0.926 49.1-139.6-162.0 140.5 9.1 15.0 -10.8 64 64 A S S S+ 0 0 102 -2,-0.3 12,-0.1 2,-0.1 3,-0.1 0.688 90.2 69.4 -72.8 -19.6 10.6 18.1 -12.5 65 65 A Q S S- 0 0 135 1,-0.2 3,-0.1 10,-0.1 10,-0.1 -0.555 101.3 -81.3 -97.4 160.9 8.9 20.1 -9.7 66 66 A P - 0 0 82 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.231 59.4 -97.4 -58.5 150.5 9.6 20.4 -5.9 67 67 A G - 0 0 34 1,-0.1 3,-0.1 7,-0.1 7,-0.0 -0.262 24.9-161.5 -69.2 160.2 8.0 17.6 -3.9 68 68 A T S S+ 0 0 127 1,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.154 73.2 55.5-129.1 14.8 4.7 17.8 -2.2 69 69 A D > - 0 0 30 3,-0.1 3,-1.1 1,-0.0 -1,-0.2 -0.878 54.7-164.0-154.3 113.9 4.9 14.9 0.3 70 70 A D T 3 S+ 0 0 169 -2,-0.3 -1,-0.0 1,-0.2 4,-0.0 0.475 83.5 78.6 -79.0 -3.1 7.7 14.3 2.9 71 71 A R T 3 S+ 0 0 133 2,-0.0 -12,-0.2 0, 0.0 -1,-0.2 0.700 99.6 46.3 -75.8 -19.2 6.7 10.7 3.5 72 72 A V S < S- 0 0 12 -3,-1.1 2,-0.5 -14,-0.1 -12,-0.2 -0.742 90.2-106.1-120.3 168.7 8.5 9.9 0.2 73 73 A T E -e 60 0A 50 -14,-2.7 -12,-2.9 -2,-0.2 2,-0.4 -0.845 33.8-150.6 -97.8 121.1 11.9 10.8 -1.5 74 74 A W E +e 61 0A 43 -2,-0.5 2,-0.3 -14,-0.2 -12,-0.2 -0.776 16.8 179.6 -97.1 139.0 11.6 13.3 -4.3 75 75 A V E -e 62 0A 2 -14,-2.5 -12,-2.4 -2,-0.4 -10,-0.1 -0.966 26.0-155.7-138.4 156.4 14.0 13.4 -7.3 76 76 A K S S+ 0 0 131 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.1 0.311 75.4 28.1-115.0 5.5 14.4 15.5 -10.5 77 77 A S S > S- 0 0 56 1,-0.1 4,-2.0 -14,-0.0 5,-0.1 -0.984 75.7-110.7-161.7 160.9 16.3 13.1 -12.9 78 78 A V H > S+ 0 0 17 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.930 119.3 48.5 -58.7 -50.3 16.9 9.4 -13.7 79 79 A D H > S+ 0 0 104 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.875 110.9 49.6 -63.6 -34.7 20.5 9.5 -12.4 80 80 A E H > S+ 0 0 87 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.853 108.6 54.5 -71.4 -31.4 19.4 11.3 -9.2 81 81 A A H < S+ 0 0 0 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.913 111.7 43.9 -64.5 -44.3 16.7 8.5 -8.7 82 82 A I H >X S+ 0 0 39 -4,-2.1 3,-1.1 2,-0.2 4,-0.5 0.895 113.4 50.7 -65.0 -46.0 19.3 5.8 -8.9 83 83 A A H >< S+ 0 0 73 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.895 103.2 60.5 -59.6 -42.2 21.8 7.7 -6.6 84 84 A A T 3< S+ 0 0 26 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.662 98.0 60.3 -59.5 -21.8 19.0 8.1 -4.0 85 85 A C T <4 S- 0 0 9 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.713 90.7-164.7 -77.1 -27.4 18.8 4.3 -3.8 86 86 A G << - 0 0 51 -3,-1.5 2,-1.1 -4,-0.5 -1,-0.2 -0.292 51.2 -21.6 72.8-154.5 22.4 4.0 -2.6 87 87 A D S S+ 0 0 171 -2,-0.0 -1,-0.1 2,-0.0 -4,-0.0 -0.740 84.3 148.8 -92.0 94.9 24.2 0.6 -2.7 88 88 A V - 0 0 45 -2,-1.1 3,-0.1 1,-0.1 -50,-0.1 -0.931 57.0-119.1-126.3 150.2 21.3 -2.0 -2.7 89 89 A P S S+ 0 0 123 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.852 96.3 9.0 -58.4 -31.2 21.2 -5.5 -4.3 90 90 A E - 0 0 19 2,-0.0 2,-0.4 -3,-0.0 -88,-0.2 -0.980 57.8-155.3-156.0 136.6 18.2 -4.4 -6.5 91 91 A I E -a 2 0A 8 -90,-3.0 -88,-2.7 -2,-0.3 2,-0.5 -0.936 17.9-149.3-108.8 130.8 16.2 -1.3 -7.5 92 92 A M E -ad 3 40A 0 -53,-2.8 -51,-2.6 -2,-0.4 2,-0.7 -0.895 3.7-159.6-107.2 120.3 12.6 -1.7 -8.8 93 93 A V E -ad 4 41A 0 -90,-2.7 -88,-2.6 -2,-0.5 -51,-0.2 -0.900 12.8-178.7 -97.2 115.4 11.2 0.7 -11.4 94 94 A I - 0 0 16 -53,-2.5 2,-0.2 -2,-0.7 -52,-0.2 0.256 33.3-175.9-106.3 9.1 7.4 0.4 -11.0 95 95 A G - 0 0 0 -54,-0.5 -52,-1.9 1,-0.2 -1,-0.3 -0.595 52.2-129.9 121.6-180.0 6.0 2.8 -13.6 96 96 A G > - 0 0 17 -54,-0.3 4,-2.5 -2,-0.2 -1,-0.2 0.476 55.8 -96.6 -90.4-147.4 4.5 4.5 -15.4 97 97 A G H > S+ 0 0 7 1,-0.2 4,-1.9 2,-0.2 -2,-0.1 0.874 121.1 46.3 -51.9 -52.5 5.0 4.4 -19.2 98 98 A R H > S+ 0 0 174 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.849 113.0 50.7 -64.4 -35.1 7.3 7.5 -19.5 99 99 A V H > S+ 0 0 10 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.920 108.2 52.5 -67.9 -40.9 9.4 6.2 -16.5 100 100 A Y H X S+ 0 0 13 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.897 106.1 54.9 -60.9 -40.8 9.8 2.7 -18.1 101 101 A E H < S+ 0 0 117 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.924 112.4 42.0 -58.3 -48.7 11.0 4.3 -21.4 102 102 A Q H < S+ 0 0 104 -4,-1.5 4,-0.3 1,-0.2 -1,-0.2 0.826 119.2 43.3 -68.1 -36.7 13.8 6.2 -19.7 103 103 A F H >X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 3,-0.7 0.716 92.8 83.0 -84.7 -23.3 14.9 3.3 -17.4 104 104 A L G >< S+ 0 0 26 -4,-2.2 3,-1.0 1,-0.3 -1,-0.2 0.883 91.3 47.2 -49.7 -54.1 14.7 0.5 -20.0 105 105 A P G 34 S+ 0 0 90 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.783 116.8 46.9 -62.5 -23.0 18.2 1.2 -21.5 106 106 A K G <4 S+ 0 0 78 -3,-0.7 -104,-0.4 -4,-0.3 -2,-0.2 0.641 94.8 97.4 -88.9 -16.6 19.5 1.3 -17.9 107 107 A A << - 0 0 0 -4,-1.2 -104,-0.2 -3,-1.0 3,-0.1 -0.444 47.5-170.5 -76.8 150.5 17.7 -1.9 -16.6 108 108 A Q S S+ 0 0 90 -106,-3.4 50,-2.3 1,-0.2 2,-0.3 0.479 74.6 32.5-111.0 -10.5 19.4 -5.4 -16.4 109 109 A K E -bF 3 157A 36 -107,-1.0 -105,-2.0 48,-0.2 2,-0.4 -0.986 59.9-158.5-151.6 146.2 16.2 -7.4 -15.7 110 110 A L E -bF 4 156A 0 46,-2.2 46,-2.8 -2,-0.3 2,-0.6 -0.995 3.3-162.2-131.3 128.0 12.4 -7.2 -16.5 111 111 A Y E -bF 5 155A 5 -107,-2.3 -105,-2.2 -2,-0.4 2,-0.4 -0.948 25.1-176.9-108.0 104.6 9.6 -8.8 -14.5 112 112 A L E -bF 6 154A 0 42,-3.4 42,-3.4 -2,-0.6 2,-0.7 -0.910 26.0-159.0-115.2 136.9 6.7 -9.0 -16.8 113 113 A T E -bF 7 153A 0 -107,-1.8 -105,-2.4 -2,-0.4 2,-0.9 -0.951 16.4-156.0-106.3 107.4 3.1 -10.2 -16.2 114 114 A H E -bF 8 152A 51 38,-2.7 38,-1.0 -2,-0.7 2,-0.4 -0.775 14.0-160.3 -87.6 105.2 1.7 -10.9 -19.7 115 115 A I E - F 0 151A 4 -107,-3.3 2,-1.5 -2,-0.9 36,-0.2 -0.770 19.1-139.6 -91.8 133.7 -2.1 -10.6 -19.3 116 116 A D + 0 0 83 34,-2.6 34,-0.4 -2,-0.4 2,-0.3 -0.612 62.1 123.3 -88.3 72.4 -4.6 -12.2 -21.8 117 117 A A - 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