==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 10-APR-12 4ELH . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR C.R.BOURNE,W.W.BARROW . 1328 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 70363.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 940 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 207 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 182 13.7 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 . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 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 . 190 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 14.7 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 0 24 0 0 4 4 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 15 16 0 7 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 . 7 8 0 0 0 0 16 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 . 8 0 0 0 0 0 8 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 94 0, 0.0 2,-0.5 0, 0.0 91,-0.2 0.000 360.0 360.0 360.0 116.4 20.8 -38.2 -23.4 2 2 A I E -a 92 0A 63 89,-3.5 91,-2.8 108,-0.1 2,-0.7 -0.672 360.0-154.5 -77.4 120.9 19.1 -39.4 -20.2 3 3 A V E -a 93 0A 6 -2,-0.5 107,-3.4 105,-0.4 108,-1.4 -0.887 20.0-173.8 -96.4 112.9 16.7 -36.8 -18.8 4 4 A S E -ab 94 111A 0 89,-2.8 91,-3.4 -2,-0.7 2,-0.4 -0.917 21.3-142.6-116.4 130.4 16.4 -37.5 -15.1 5 5 A F E -ab 95 112A 1 106,-2.4 108,-2.9 -2,-0.4 2,-0.5 -0.738 14.3-162.5 -79.8 133.4 14.1 -35.9 -12.5 6 6 A M E + b 0 113A 3 89,-2.9 2,-0.3 -2,-0.4 108,-0.2 -0.982 24.6 161.7-118.5 122.1 15.8 -35.4 -9.1 7 7 A V E - b 0 114A 2 106,-2.4 108,-3.2 -2,-0.5 2,-0.4 -0.994 33.9-166.0-150.1 139.7 13.3 -34.9 -6.3 8 8 A A E + b 0 115A 16 -2,-0.3 2,-0.3 106,-0.2 108,-0.2 -0.991 30.7 160.2-125.4 120.8 12.7 -34.9 -2.6 9 9 A M E - b 0 116A 9 106,-2.8 108,-2.9 -2,-0.4 6,-0.2 -0.969 32.0-123.5-141.2 159.1 9.1 -34.8 -1.5 10 10 A D > - 0 0 3 4,-1.5 3,-2.5 -2,-0.3 110,-0.2 -0.163 52.3 -76.5 -92.8-172.2 6.9 -35.6 1.5 11 11 A E T 3 S+ 0 0 123 108,-2.3 109,-0.1 106,-0.5 107,-0.1 0.597 134.5 45.2 -70.3 -7.6 3.8 -37.8 1.7 12 12 A N T 3 S- 0 0 88 107,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.078 122.3-102.5-117.0 20.5 1.7 -35.1 0.0 13 13 A R < + 0 0 49 -3,-2.5 114,-2.5 1,-0.2 2,-0.2 0.610 64.0 164.0 70.6 11.1 4.3 -34.4 -2.7 14 14 A V E +H 126 0B 4 112,-0.2 -4,-1.5 1,-0.2 112,-0.3 -0.446 11.8 167.2 -59.7 129.1 5.4 -31.2 -0.9 15 15 A I E + 0 0 24 110,-2.7 2,-0.3 1,-0.3 111,-0.2 0.400 59.4 15.1-119.6 -3.4 8.7 -30.0 -2.3 16 16 A G E -H 125 0B 4 109,-1.2 108,-2.3 5,-0.1 109,-1.2 -0.995 44.8-159.6-164.9 159.9 8.9 -26.5 -0.8 17 17 A K B > S-I 20 0C 64 3,-2.4 3,-2.0 -2,-0.3 106,-0.1 -0.917 89.6 -18.3-145.8 116.8 7.7 -23.9 1.7 18 18 A D T 3 S- 0 0 30 -2,-0.3 3,-0.1 1,-0.3 105,-0.0 0.915 129.4 -53.4 50.4 44.8 8.3 -20.2 1.1 19 19 A N T 3 S+ 0 0 75 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.534 122.3 93.1 68.9 8.8 11.0 -21.3 -1.4 20 20 A N B < S-I 17 0C 59 -3,-2.0 -3,-2.4 31,-0.0 -1,-0.2 -0.797 83.5 -92.5-124.6 172.3 12.8 -23.5 1.1 21 21 A L - 0 0 80 -2,-0.3 -5,-0.1 -5,-0.2 -6,-0.0 -0.698 24.3-149.2 -77.2 128.5 12.9 -27.2 2.2 22 22 A P S S+ 0 0 34 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.569 81.8 54.2 -74.9 -5.4 10.6 -27.8 5.1 23 23 A W S S- 0 0 11 98,-0.1 2,-0.5 2,-0.0 -2,-0.1 -0.838 70.8-143.4-122.8 161.0 13.1 -30.5 6.3 24 24 A R + 0 0 118 -2,-0.3 127,-0.1 124,-0.0 3,-0.1 -0.894 32.9 154.2-125.3 102.2 16.8 -30.6 7.1 25 25 A L >> + 0 0 5 -2,-0.5 4,-1.5 124,-0.1 3,-0.8 -0.773 15.5 179.7-128.9 83.7 18.3 -33.9 6.0 26 26 A P H 3> S+ 0 0 51 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.833 83.7 58.6 -55.5 -34.5 22.0 -33.5 5.3 27 27 A S H 3> S+ 0 0 29 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.877 102.5 54.7 -62.6 -36.1 22.3 -37.2 4.5 28 28 A E H <> S+ 0 0 5 -3,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.921 108.2 47.4 -63.3 -42.9 19.7 -36.7 1.8 29 29 A L H X S+ 0 0 84 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.854 106.1 58.7 -68.5 -32.5 21.7 -33.9 0.2 30 30 A Q H X S+ 0 0 116 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.867 106.1 50.1 -61.5 -34.9 24.9 -36.1 0.4 31 31 A Y H X S+ 0 0 35 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.912 109.1 50.5 -68.7 -43.2 22.9 -38.6 -1.8 32 32 A V H X S+ 0 0 12 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.908 111.2 49.5 -57.1 -44.5 22.0 -35.9 -4.3 33 33 A K H X S+ 0 0 100 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.951 113.4 45.0 -64.0 -48.5 25.7 -34.9 -4.4 34 34 A K H < S+ 0 0 164 -4,-2.3 3,-0.2 1,-0.2 -1,-0.2 0.889 115.4 47.5 -59.5 -42.7 26.9 -38.4 -5.0 35 35 A T H < S+ 0 0 30 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.841 117.7 40.0 -72.5 -32.7 24.2 -39.2 -7.6 36 36 A T H >< S+ 0 0 1 -4,-2.1 3,-2.1 -5,-0.2 -1,-0.2 0.516 79.3 134.2 -98.8 -6.4 24.7 -36.0 -9.6 37 37 A M T 3< S+ 0 0 122 -4,-1.3 21,-0.1 1,-0.3 20,-0.1 -0.160 79.6 9.9 -45.5 129.1 28.5 -35.8 -9.5 38 38 A G T 3 S+ 0 0 56 19,-1.6 -1,-0.3 1,-0.2 20,-0.1 0.627 111.8 100.3 73.6 14.4 29.9 -35.0 -13.0 39 39 A H S < S- 0 0 30 -3,-2.1 20,-0.4 18,-0.2 -1,-0.2 -0.959 79.7 -96.8-130.2 149.6 26.4 -34.3 -14.5 40 40 A P - 0 0 1 0, 0.0 54,-2.5 0, 0.0 2,-0.5 -0.370 28.1-148.1 -62.5 138.5 24.5 -31.1 -15.2 41 41 A L E -cd 60 94A 0 18,-3.0 20,-2.7 52,-0.2 2,-0.6 -0.968 12.1-160.6-105.2 124.0 22.0 -29.8 -12.6 42 42 A I E +cd 61 95A 0 52,-3.3 54,-4.1 -2,-0.5 55,-0.5 -0.934 23.3 155.0-110.5 121.3 19.1 -28.0 -14.2 43 43 A M E -cd 62 97A 0 18,-2.3 20,-2.8 -2,-0.6 55,-0.2 -0.992 40.1-109.1-147.9 151.8 17.1 -25.8 -11.9 44 44 A G E > -c 63 0A 5 53,-1.9 4,-2.9 -2,-0.3 20,-0.2 -0.300 39.2-106.0 -73.6 162.7 14.9 -22.7 -12.0 45 45 A R H > S+ 0 0 84 18,-1.0 4,-3.7 1,-0.2 5,-0.3 0.908 118.3 51.7 -56.7 -48.0 16.0 -19.3 -10.6 46 46 A K H > S+ 0 0 90 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.910 112.4 47.3 -59.8 -43.3 13.9 -19.5 -7.4 47 47 A N H > S+ 0 0 47 2,-0.2 4,-1.6 50,-0.2 3,-0.3 0.970 113.7 47.6 -61.0 -52.7 15.3 -22.9 -6.7 48 48 A Y H >X S+ 0 0 20 -4,-2.9 4,-2.1 1,-0.2 3,-0.6 0.936 112.3 48.6 -53.8 -51.9 18.9 -21.7 -7.4 49 49 A E H 3< S+ 0 0 96 -4,-3.7 -1,-0.2 1,-0.2 -2,-0.2 0.828 106.6 57.6 -61.3 -29.3 18.4 -18.6 -5.2 50 50 A A H 3< S+ 0 0 38 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.848 107.9 46.7 -68.6 -33.4 17.0 -20.7 -2.4 51 51 A I H << S- 0 0 65 -4,-1.6 -2,-0.2 -3,-0.6 -1,-0.2 0.828 100.4-149.2 -75.6 -34.7 20.2 -22.7 -2.4 52 52 A G < + 0 0 51 -4,-2.1 -3,-0.1 -5,-0.2 -4,-0.1 0.066 60.3 34.2 96.3 -25.2 22.2 -19.5 -2.5 53 53 A R S S- 0 0 169 -5,-0.2 2,-0.1 20,-0.0 20,-0.1 -0.958 90.5 -77.0-154.6 165.8 25.2 -20.6 -4.4 54 54 A P - 0 0 42 0, 0.0 20,-0.1 0, 0.0 5,-0.0 -0.447 43.3-124.4 -64.6 142.6 26.6 -22.9 -7.1 55 55 A L > - 0 0 35 -2,-0.1 3,-0.6 -14,-0.1 -14,-0.1 -0.848 34.7-126.6 -91.8 116.2 26.9 -26.6 -6.2 56 56 A P T 3 S+ 0 0 86 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.027 86.4 32.3 -63.1 162.6 30.6 -27.5 -6.9 57 57 A G T 3 S+ 0 0 61 1,-0.2 -19,-1.6 -20,-0.1 2,-0.3 0.650 107.7 93.5 66.4 16.8 31.8 -30.4 -9.1 58 58 A R S < S- 0 0 35 -3,-0.6 2,-1.0 -21,-0.1 -1,-0.2 -0.993 82.4-117.6-142.3 142.9 28.6 -29.8 -11.2 59 59 A R - 0 0 71 -20,-0.4 -18,-3.0 -2,-0.3 2,-0.6 -0.733 37.2-157.6 -76.6 104.8 27.5 -28.0 -14.3 60 60 A N E -c 41 0A 6 -2,-1.0 15,-2.9 13,-0.4 2,-0.5 -0.782 12.7-177.1 -89.1 121.6 24.9 -25.7 -12.7 61 61 A I E -ce 42 75A 0 -20,-2.7 -18,-2.3 -2,-0.6 2,-0.5 -0.962 10.3-156.4-124.1 116.0 22.4 -24.5 -15.3 62 62 A I E -ce 43 76A 0 13,-3.3 15,-2.9 -2,-0.5 2,-0.7 -0.793 6.6-148.7 -97.2 129.0 19.7 -22.0 -14.3 63 63 A V E +ce 44 77A 10 -20,-2.8 -18,-1.0 -2,-0.5 2,-0.3 -0.842 33.7 141.9-100.7 113.3 16.5 -21.8 -16.3 64 64 A T - 0 0 19 13,-1.9 5,-0.0 -2,-0.7 -2,-0.0 -0.993 53.0-135.4-144.0 151.8 14.8 -18.4 -16.5 65 65 A R S S+ 0 0 228 -2,-0.3 2,-0.6 2,-0.0 13,-0.1 0.645 79.4 107.9 -71.7 -16.5 12.9 -16.4 -19.1 66 66 A N > - 0 0 69 1,-0.2 3,-0.9 2,-0.1 -2,-0.1 -0.523 56.1-164.1 -70.3 111.1 14.9 -13.4 -17.9 67 67 A E T 3 S+ 0 0 131 -2,-0.6 -1,-0.2 1,-0.2 9,-0.0 0.657 86.0 51.9 -73.8 -15.8 17.5 -12.6 -20.7 68 68 A G T 3 S+ 0 0 51 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.518 79.0 118.4 -97.7 -6.9 19.6 -10.4 -18.4 69 69 A Y < + 0 0 36 -3,-0.9 2,-0.3 -5,-0.0 -5,-0.1 -0.457 33.6 157.5 -64.7 121.5 20.0 -13.0 -15.6 70 70 A H - 0 0 154 -2,-0.3 2,-0.3 5,-0.0 5,-0.1 -0.988 16.7-177.1-138.0 143.9 23.6 -14.0 -15.1 71 71 A V > - 0 0 28 -2,-0.3 3,-1.5 3,-0.3 -9,-0.1 -0.991 34.4-108.0-137.2 140.8 25.4 -15.4 -12.0 72 72 A E T 3 S+ 0 0 188 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.368 103.3 20.5 -64.8 138.1 29.0 -16.2 -11.7 73 73 A G T 3 S+ 0 0 68 1,-0.2 -13,-0.4 -20,-0.1 2,-0.3 0.565 112.3 86.8 80.9 9.8 29.9 -19.9 -11.8 74 74 A C < - 0 0 24 -3,-1.5 2,-0.3 -15,-0.1 -3,-0.3 -0.961 68.6-132.7-136.1 154.9 26.6 -20.8 -13.4 75 75 A E E -e 61 0A 71 -15,-2.9 -13,-3.3 -2,-0.3 2,-0.4 -0.805 21.7-146.2 -99.5 149.9 25.2 -21.1 -16.9 76 76 A V E -e 62 0A 25 -2,-0.3 2,-0.4 -15,-0.2 -13,-0.2 -0.971 15.6-178.0-119.4 135.2 21.8 -19.6 -17.7 77 77 A A E -e 63 0A 0 -15,-2.9 -13,-1.9 -2,-0.4 3,-0.1 -0.965 15.9-160.6-131.8 148.2 19.4 -21.0 -20.2 78 78 A H + 0 0 42 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.1 0.346 69.9 19.0-115.1 4.2 16.0 -19.6 -21.2 79 79 A S S > S- 0 0 40 1,-0.1 4,-1.7 -14,-0.0 5,-0.1 -0.983 77.1-103.4-162.4 165.0 14.2 -22.6 -22.6 80 80 A V H > S+ 0 0 22 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.922 121.0 54.1 -58.8 -44.6 14.1 -26.3 -22.8 81 81 A E H > S+ 0 0 157 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 106.9 51.2 -62.1 -35.6 15.6 -26.2 -26.3 82 82 A E H > S+ 0 0 65 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.862 109.4 50.4 -70.9 -34.2 18.5 -24.1 -25.0 83 83 A V H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.935 110.4 48.4 -65.7 -48.4 19.1 -26.6 -22.2 84 84 A F H < S+ 0 0 48 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.889 113.2 49.5 -60.2 -36.8 19.2 -29.5 -24.6 85 85 A E H >< S+ 0 0 103 -4,-2.2 3,-1.3 -5,-0.3 -2,-0.2 0.943 111.7 47.2 -66.8 -46.5 21.6 -27.5 -26.8 86 86 A L H 3< S+ 0 0 38 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.869 119.3 40.8 -58.5 -37.8 23.9 -26.7 -23.9 87 87 A C T >< S+ 0 0 0 -4,-2.6 3,-2.8 1,-0.2 -1,-0.2 0.164 76.9 128.9 -99.0 20.3 23.8 -30.3 -22.8 88 88 A K T < S+ 0 0 115 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.743 79.3 37.8 -50.1 -32.8 24.1 -31.7 -26.3 89 89 A N T 3 S+ 0 0 153 -3,-0.3 -1,-0.3 -4,-0.2 2,-0.2 0.375 91.8 117.0-100.6 3.6 27.0 -34.0 -25.4 90 90 A E < - 0 0 49 -3,-2.8 3,-0.2 -6,-0.2 -51,-0.1 -0.493 53.7-153.8 -79.8 140.2 25.8 -34.9 -21.9 91 91 A E S S+ 0 0 128 1,-0.3 -89,-3.5 -2,-0.2 2,-0.3 0.896 81.9 5.9 -75.7 -40.7 25.0 -38.5 -21.1 92 92 A E E -a 2 0A 13 -91,-0.2 2,-0.4 -89,-0.0 -1,-0.3 -0.994 62.4-164.4-147.5 134.0 22.6 -37.6 -18.3 93 93 A I E -a 3 0A 0 -91,-2.8 -89,-2.8 -2,-0.3 2,-0.6 -0.922 15.2-139.6-116.1 150.0 21.1 -34.4 -17.0 94 94 A F E -ad 4 41A 1 -54,-2.5 -52,-3.3 -2,-0.4 2,-0.6 -0.906 5.1-148.7-112.8 111.4 19.3 -33.9 -13.6 95 95 A I E -ad 5 42A 0 -91,-3.4 -89,-2.9 -2,-0.6 -52,-0.2 -0.684 17.0-171.0 -75.6 118.0 16.2 -31.7 -13.5 96 96 A F E - 0 0 30 -54,-4.1 -53,-0.2 -2,-0.6 -1,-0.1 0.406 35.2-108.1-106.0 -0.3 16.5 -30.3 -10.0 97 97 A G E + d 0 43A 1 -55,-0.5 -53,-1.9 1,-0.2 -1,-0.3 -0.378 55.0 163.7 109.3-169.3 13.2 -28.6 -9.6 98 98 A G > - 0 0 14 -55,-0.2 4,-2.3 -2,-0.1 5,-0.2 0.100 59.7-113.0 94.1 118.6 10.9 -25.8 -9.4 99 99 A A H > S+ 0 0 15 1,-0.2 4,-2.3 -2,-0.2 5,-0.1 0.923 120.8 51.6 -46.5 -46.6 7.5 -27.4 -10.0 100 100 A Q H > S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.841 106.5 53.4 -66.5 -34.0 7.4 -25.4 -13.2 101 101 A I H > S+ 0 0 15 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.898 107.4 50.3 -67.5 -42.7 10.8 -26.7 -14.3 102 102 A Y H >X S+ 0 0 10 -4,-2.3 4,-0.9 1,-0.2 3,-0.8 0.932 110.0 52.0 -57.0 -46.1 9.7 -30.3 -13.8 103 103 A D H >< S+ 0 0 84 -4,-2.3 3,-0.8 1,-0.3 -2,-0.2 0.903 104.1 56.8 -59.6 -41.1 6.7 -29.5 -15.9 104 104 A L H 3< S+ 0 0 83 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.818 115.2 37.2 -58.4 -29.4 8.9 -28.1 -18.7 105 105 A F H XX S+ 0 0 1 -4,-1.1 3,-1.8 -3,-0.8 4,-0.8 0.430 86.1 100.7-108.4 -0.4 10.8 -31.4 -18.9 106 106 A L G X< S+ 0 0 68 -4,-0.9 3,-0.7 -3,-0.8 -1,-0.2 0.848 77.1 57.9 -53.1 -42.2 8.0 -33.8 -18.4 107 107 A P G 34 S+ 0 0 99 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.657 116.3 36.7 -69.6 -7.5 7.5 -34.7 -22.0 108 108 A Y G <4 S+ 0 0 113 -3,-1.8 -105,-0.4 -106,-0.0 -2,-0.2 0.454 81.8 127.6-117.6 -7.9 11.2 -35.8 -22.1 109 109 A V << + 0 0 4 -4,-0.8 -105,-0.2 -3,-0.7 3,-0.1 -0.275 22.8 170.7 -67.0 138.7 11.9 -37.4 -18.8 110 110 A D + 0 0 60 -107,-3.4 50,-0.7 1,-0.3 2,-0.3 0.560 64.0 29.8-115.5 -18.3 13.5 -40.9 -18.9 111 111 A K E -bF 4 159A 37 -108,-1.4 -106,-2.4 48,-0.2 2,-0.5 -0.996 60.7-151.3-152.9 134.8 14.3 -41.6 -15.2 112 112 A L E -bF 5 158A 0 46,-2.6 46,-2.8 -2,-0.3 2,-0.7 -0.949 5.7-172.4-116.8 120.8 13.0 -40.6 -11.8 113 113 A Y E +bF 6 157A 19 -108,-2.9 -106,-2.4 -2,-0.5 2,-0.5 -0.916 23.1 177.8-104.8 104.6 15.1 -40.3 -8.7 114 114 A I E -bF 7 156A 2 42,-2.9 42,-2.5 -2,-0.7 2,-0.6 -0.937 22.1-161.7-119.4 118.7 12.5 -39.7 -6.0 115 115 A T E -bF 8 155A 1 -108,-3.2 -106,-2.8 -2,-0.5 2,-0.6 -0.902 14.8-158.4 -92.8 124.2 13.2 -39.4 -2.3 116 116 A K E -bF 9 154A 68 38,-2.7 38,-1.9 -2,-0.6 2,-0.5 -0.919 1.2-154.8-109.2 115.6 10.0 -40.0 -0.3 117 117 A I E - 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