==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-JUN-12 4FOL . COMPND 2 MOLECULE: S-FORMYLGLUTATHIONE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR P.M.LEGLER,C.B.MILLARD . 1130 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43225.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 817 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 116 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.8 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 . 89 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 152 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 271 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 2.9 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 9 0 6 6 4 2 5 1 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 3 4 4 2 5 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 . 8 0 1 3 0 0 4 3 1 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 0 0 0 0 0 4 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 61 0, 0.0 2,-0.4 0, 0.0 18,-0.2 0.000 360.0 360.0 360.0 151.3 51.1 14.5 101.0 2 2 A K E -A 18 0A 158 16,-2.6 16,-2.1 0, 0.0 2,-0.7 -0.867 360.0-128.8 -99.5 134.0 48.0 16.1 99.5 3 3 A V E -A 17 0A 73 -2,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.754 26.1-179.7 -79.5 116.3 44.6 15.9 101.3 4 4 A V E - 0 0 81 12,-3.0 2,-0.3 -2,-0.7 13,-0.2 0.861 63.6 -19.2 -86.7 -40.0 42.1 14.6 98.7 5 5 A K E -A 16 0A 102 11,-1.3 11,-2.4 2,-0.0 2,-0.4 -0.971 53.2-144.5-160.9 158.3 39.0 14.6 100.9 6 6 A E E -A 15 0A 95 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.985 13.5-174.1-131.7 123.5 37.9 14.6 104.6 7 7 A F E -A 14 0A 14 7,-3.1 7,-3.9 -2,-0.4 2,-0.5 -0.961 23.0-132.9-113.3 131.2 34.9 12.8 105.9 8 8 A S E +A 13 0A 18 539,-0.6 2,-0.4 -2,-0.4 541,-0.4 -0.722 31.7 175.9 -77.2 125.7 33.8 13.2 109.5 9 9 A V E > -A 12 0A 0 3,-1.4 3,-2.5 -2,-0.5 545,-0.1 -0.993 55.0 -34.7-131.6 139.6 33.1 9.7 111.0 10 10 A C T 3 S- 0 0 21 543,-0.4 58,-0.1 -2,-0.4 547,-0.1 -0.200 123.5 -28.6 47.4-131.9 32.2 9.1 114.6 11 11 A G T 3 S+ 0 0 47 56,-0.2 -1,-0.3 -3,-0.1 28,-0.2 0.272 134.1 40.6 -93.1 12.0 34.0 11.7 116.8 12 12 A G E < S-A 9 0A 7 -3,-2.5 -3,-1.4 26,-0.1 2,-0.4 -0.386 85.1 -84.9-134.8-153.1 36.9 12.0 114.4 13 13 A R E -AB 8 34A 90 21,-1.8 21,-3.3 -5,-0.3 2,-0.5 -0.993 10.9-148.2-135.8 140.3 37.9 12.2 110.7 14 14 A L E -AB 7 33A 0 -7,-3.9 -7,-3.1 -2,-0.4 2,-0.5 -0.912 27.1-161.8 -98.9 125.4 38.6 9.8 107.8 15 15 A I E -AB 6 32A 7 17,-3.3 17,-2.0 -2,-0.5 2,-0.8 -0.935 13.5-150.4-120.6 118.4 41.2 11.4 105.5 16 16 A K E -AB 5 31A 40 -11,-2.4 -12,-3.0 -2,-0.5 -11,-1.3 -0.794 27.6-176.1 -87.2 112.6 41.8 10.5 102.0 17 17 A L E -AB 3 30A 2 13,-3.4 13,-2.7 -2,-0.8 2,-0.3 -0.768 14.8-169.9-111.2 152.6 45.5 11.2 101.2 18 18 A S E +AB 2 29A 15 -16,-2.1 -16,-2.6 -2,-0.3 2,-0.3 -0.976 12.6 164.1-136.3 153.2 47.7 10.9 98.1 19 19 A H E - B 0 28A 14 9,-1.7 9,-2.7 -2,-0.3 2,-0.8 -0.971 42.5 -96.5-159.4 164.9 51.5 11.2 97.7 20 20 A N E - B 0 27A 129 -2,-0.3 2,-0.4 7,-0.2 7,-0.2 -0.826 41.8-146.4 -94.1 107.5 54.3 10.6 95.4 21 21 A S > - 0 0 4 5,-2.9 4,-1.0 -2,-0.8 5,-0.4 -0.563 19.2-167.3 -80.0 127.6 56.0 7.2 96.3 22 22 A N T 4 S+ 0 0 120 -2,-0.4 -1,-0.1 2,-0.2 101,-0.0 0.745 92.9 55.4 -79.1 -22.4 59.7 6.7 95.9 23 23 A S T 4 S+ 0 0 19 1,-0.1 -1,-0.1 3,-0.1 99,-0.1 0.954 121.3 25.7 -68.5 -51.9 59.1 3.0 96.5 24 24 A T T 4 S- 0 0 0 2,-0.2 -2,-0.2 94,-0.1 -1,-0.1 0.546 97.1-130.7 -91.2 -12.0 56.5 2.5 93.7 25 25 A K S < S+ 0 0 134 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.724 76.3 88.2 62.2 24.6 57.6 5.4 91.5 26 26 A T S S- 0 0 13 -5,-0.4 -5,-2.9 91,-0.1 2,-0.4 -0.911 89.6 -83.9-141.9 166.9 54.0 6.5 91.3 27 27 A S E -B 20 0A 68 -2,-0.3 58,-0.4 -7,-0.2 2,-0.3 -0.639 50.9-166.1 -67.0 128.6 51.2 8.5 92.9 28 28 A M E -B 19 0A 2 -9,-2.7 -9,-1.7 -2,-0.4 2,-0.3 -0.939 11.5-141.3-123.3 144.4 49.6 6.4 95.7 29 29 A N E +B 18 0A 77 -2,-0.3 52,-0.6 -11,-0.2 2,-0.3 -0.810 22.0 171.0-103.0 147.9 46.4 6.7 97.6 30 30 A V E -BC 17 80A 0 -13,-2.7 -13,-3.4 -2,-0.3 2,-0.4 -0.962 19.4-148.2-150.8 138.2 45.9 6.0 101.3 31 31 A N E -BC 16 79A 1 48,-1.9 48,-3.3 -2,-0.3 2,-0.4 -0.872 14.6-173.8-100.7 141.9 43.1 6.6 103.8 32 32 A I E -BC 15 78A 0 -17,-2.0 -17,-3.3 -2,-0.4 2,-0.6 -0.999 15.1-147.8-129.1 136.5 43.6 7.3 107.5 33 33 A Y E -BC 14 77A 0 44,-2.8 44,-1.6 -2,-0.4 -19,-0.2 -0.919 11.9-156.7 -99.1 122.1 41.1 7.5 110.3 34 34 A L E -B 13 0A 1 -21,-3.3 -21,-1.8 -2,-0.6 42,-0.1 -0.862 21.2-126.3 -94.7 125.0 42.1 10.0 113.1 35 35 A P >> - 0 0 0 0, 0.0 3,-2.0 0, 0.0 4,-0.7 -0.222 24.0-105.2 -69.8 161.4 40.3 9.2 116.3 36 36 A K G >4 S+ 0 0 99 1,-0.3 3,-0.8 2,-0.2 4,-0.2 0.786 119.2 70.6 -50.8 -27.5 38.3 11.7 118.3 37 37 A H G >4 S+ 0 0 82 1,-0.2 3,-0.7 2,-0.2 -1,-0.3 0.775 89.4 58.2 -63.0 -32.5 41.4 11.7 120.6 38 38 A Y G <4 S+ 0 0 75 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.795 108.9 45.0 -66.8 -31.0 43.5 13.5 118.0 39 39 A Y G << S+ 0 0 86 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.325 100.4 91.5 -97.5 6.7 41.1 16.5 118.0 40 40 A A < 0 0 62 -3,-0.7 -3,-0.1 -4,-0.2 -4,-0.0 -0.091 360.0 360.0 -88.6-173.6 40.6 16.8 121.8 41 41 A Q 0 0 239 -2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.747 360.0 360.0-158.7 360.0 42.4 18.7 124.5 42 ! 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 43 48 A R 0 0 152 0, 0.0 97,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.9 50.9 9.5 121.8 44 49 A I B -j 140 0B 24 95,-2.4 97,-2.7 31,-0.1 31,-0.1 -0.801 360.0-140.7 -91.7 117.0 48.2 7.9 119.7 45 50 A P - 0 0 4 0, 0.0 31,-2.7 0, 0.0 2,-0.4 -0.236 13.2-126.4 -75.1 166.5 49.3 4.5 118.3 46 51 A T E -de 76 146A 0 99,-1.2 101,-2.9 95,-0.5 2,-0.4 -0.947 10.5-157.3-124.3 134.5 48.5 3.2 114.8 47 52 A V E -de 77 147A 0 29,-2.6 31,-2.6 -2,-0.4 2,-0.6 -0.902 14.4-151.3 -97.6 133.1 46.9 0.1 113.4 48 53 A F E -de 78 148A 0 99,-2.5 101,-2.3 -2,-0.4 2,-0.6 -0.951 8.2-163.5-104.1 120.1 47.8 -0.8 109.8 49 54 A Y E - e 0 149A 0 29,-2.6 2,-0.4 -2,-0.6 101,-0.3 -0.935 6.9-153.5-105.8 113.6 45.0 -2.7 108.0 50 55 A L E - e 0 150A 0 99,-2.7 101,-1.5 -2,-0.6 104,-0.2 -0.775 14.9-135.2 -91.3 128.4 46.2 -4.4 104.8 51 56 A S - 0 0 0 -2,-0.4 3,-0.1 29,-0.3 -1,-0.0 -0.329 13.8-118.4 -85.2 161.1 43.5 -5.0 102.1 52 57 A G > - 0 0 6 1,-0.2 3,-1.4 101,-0.2 -1,-0.1 -0.114 53.9 -42.2 -87.9-174.2 42.8 -8.1 100.0 53 58 A L T 3 S+ 0 0 21 1,-0.2 -1,-0.2 50,-0.1 50,-0.2 -0.141 123.1 3.9 -52.3 141.3 42.9 -8.8 96.2 54 59 A T T 3 S+ 0 0 83 48,-2.4 -1,-0.2 43,-0.3 49,-0.1 0.230 99.7 136.5 67.6 -10.6 41.3 -6.2 93.9 55 60 A C < - 0 0 20 -3,-1.4 27,-0.4 47,-0.4 -1,-0.2 -0.238 41.4-156.2 -75.6 153.6 40.7 -3.8 96.8 56 61 A T > - 0 0 45 25,-0.1 4,-0.6 26,-0.1 3,-0.4 -0.638 41.3 -98.4-108.3 168.4 41.2 -0.0 97.1 57 62 A P H > S+ 0 0 1 0, 0.0 4,-1.3 0, 0.0 24,-0.1 0.781 120.4 64.8 -55.5 -26.4 41.7 1.8 100.5 58 63 A D H > S+ 0 0 42 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.857 88.3 65.4 -69.2 -39.7 38.0 2.8 100.3 59 64 A N H > S+ 0 0 40 -3,-0.4 4,-1.9 1,-0.2 3,-0.4 0.937 109.2 34.5 -47.9 -65.6 36.6 -0.8 100.6 60 65 A A H X S+ 0 0 0 -4,-0.6 4,-1.6 1,-0.2 5,-0.4 0.866 115.2 60.1 -59.9 -39.5 37.7 -1.6 104.1 61 66 A S H < S+ 0 0 1 -4,-1.3 4,-0.3 1,-0.2 6,-0.2 0.855 114.9 32.5 -58.1 -40.7 37.2 2.1 105.2 62 67 A E H < S+ 0 0 55 -4,-2.3 -1,-0.2 -3,-0.4 -2,-0.2 0.707 126.3 39.4 -89.1 -25.7 33.5 2.0 104.3 63 68 A K H < S+ 0 0 37 -4,-1.9 206,-0.3 -5,-0.3 -2,-0.2 0.527 109.1 51.0-106.5 -5.8 32.7 -1.7 105.2 64 69 A A S < S- 0 0 1 -4,-1.6 208,-0.1 -5,-0.2 -3,-0.1 0.695 80.1-145.0-112.1 -25.2 34.6 -2.6 108.3 65 70 A F >> + 0 0 30 -5,-0.4 3,-0.7 -4,-0.3 4,-0.5 0.735 41.9 151.2 56.6 44.2 33.7 0.1 110.7 66 71 A W H >> + 0 0 0 -6,-0.3 4,-2.9 1,-0.2 3,-0.6 0.748 60.4 78.0 -59.6 -33.5 37.1 0.3 112.5 67 72 A Q H 3> S+ 0 0 1 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.837 89.6 51.4 -51.9 -45.5 36.4 3.9 113.2 68 73 A F H <> S+ 0 0 100 -3,-0.7 4,-1.6 2,-0.2 -1,-0.3 0.877 114.2 44.6 -59.6 -40.1 34.0 3.2 116.0 69 74 A Q H S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-1.5 0.903 111.5 42.2 -58.1 -42.2 39.3 3.5 117.0 71 76 A D H <5S+ 0 0 13 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.842 110.9 58.2 -71.4 -31.3 37.3 6.0 119.0 72 77 A K H <5S+ 0 0 129 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.895 124.5 17.7 -66.6 -38.0 36.5 3.4 121.6 73 78 A Y H <5S- 0 0 23 -4,-2.3 -2,-0.2 2,-0.1 -1,-0.2 0.632 106.6-109.4-109.5 -19.2 40.2 2.7 122.4 74 79 A G T <5 + 0 0 2 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.2 0.921 65.4 134.3 85.6 54.7 42.1 5.8 121.0 75 80 A F < - 0 0 0 -5,-1.5 2,-0.3 -31,-0.1 -1,-0.3 -0.969 48.3-131.9-128.6 152.2 44.0 4.5 118.0 76 81 A A E - d 0 46A 0 -31,-2.7 -29,-2.6 -2,-0.3 2,-0.4 -0.664 23.7-153.7 -88.6 154.8 44.5 5.8 114.5 77 82 A I E -Cd 33 47A 0 -44,-1.6 -44,-2.8 -2,-0.3 2,-0.4 -0.998 3.5-155.2-136.3 135.7 44.1 3.4 111.6 78 83 A V E -Cd 32 48A 0 -31,-2.6 -29,-2.6 -2,-0.4 -46,-0.2 -0.906 5.1-167.6-113.2 132.6 45.7 3.4 108.1 79 84 A F E -C 31 0A 0 -48,-3.3 -48,-1.9 -2,-0.4 -29,-0.1 -0.826 18.2-172.4-118.6 88.4 44.2 1.7 105.0 80 85 A P E -C 30 0A 1 0, 0.0 -29,-0.3 0, 0.0 -50,-0.2 -0.147 26.9 -98.2 -72.1 171.1 46.9 1.6 102.2 81 86 A D - 0 0 2 -52,-0.6 -30,-0.2 -31,-0.1 -25,-0.1 -0.155 24.9-123.5 -82.2-175.9 46.4 0.6 98.6 82 87 A T S S- 0 0 0 -27,-0.4 22,-2.6 1,-0.2 23,-0.3 0.416 77.3 -11.7-115.3 -1.2 47.2 -2.9 97.2 83 88 A S S S- 0 0 0 20,-0.2 -1,-0.2 19,-0.2 2,-0.2 -0.955 86.0 -68.3-176.6 165.8 49.6 -2.3 94.3 84 89 A P - 0 0 0 0, 0.0 18,-0.3 0, 0.0 2,-0.3 -0.533 54.6-150.9 -62.7 149.1 51.0 0.5 92.2 85 90 A R + 0 0 70 -58,-0.4 -58,-0.2 -2,-0.2 2,-0.2 -0.903 36.2 77.4-121.9 152.0 48.2 1.9 89.9 86 91 A G S > S- 0 0 27 -2,-0.3 3,-1.2 3,-0.2 15,-0.1 -0.501 76.6 -82.1 134.0 165.4 48.4 3.5 86.5 87 92 A D T 3 S+ 0 0 174 1,-0.3 -1,-0.1 -2,-0.2 0, 0.0 0.798 124.3 47.9 -68.3 -33.1 48.7 3.3 82.7 88 93 A E T 3 S+ 0 0 118 -3,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.216 95.7 95.2 -92.9 11.3 52.5 3.1 82.8 89 94 A V S < S- 0 0 7 -3,-1.2 -3,-0.2 28,-0.0 12,-0.1 -0.921 82.2-113.3-106.9 129.7 52.4 0.4 85.5 90 95 A A - 0 0 32 -2,-0.5 2,-0.2 23,-0.3 11,-0.1 -0.143 35.5-171.4 -56.0 149.7 52.5 -3.2 84.4 91 96 A N - 0 0 82 9,-0.2 9,-0.2 10,-0.0 -1,-0.1 -0.796 41.3 -61.1-133.3 176.2 49.4 -5.5 84.9 92 97 A D > - 0 0 10 7,-0.5 3,-1.5 4,-0.3 8,-0.0 -0.499 45.2-143.2 -60.3 122.6 48.5 -9.2 84.6 93 98 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.2 0, 0.0 7,-0.0 0.693 100.3 45.3 -64.3 -21.8 49.2 -10.0 80.9 94 99 A E T 3 S- 0 0 46 2,-0.1 577,-1.3 576,-0.0 578,-0.7 0.332 116.2-113.0-101.2 2.2 46.1 -12.4 80.8 95 100 A G < + 0 0 31 -3,-1.5 -3,-0.0 575,-0.2 2,-0.0 0.545 62.6 152.2 76.2 9.6 43.8 -9.9 82.6 96 101 A S - 0 0 4 1,-0.1 3,-0.3 574,-0.1 -4,-0.3 -0.332 43.3-142.0 -68.2 155.5 43.4 -12.0 85.8 97 102 A W S S+ 0 0 100 571,-2.6 -43,-0.3 1,-0.2 572,-0.1 0.386 89.4 74.1-101.2 0.7 42.7 -10.1 89.0 98 103 A D S S+ 0 0 0 570,-0.5 2,-0.3 -45,-0.1 -1,-0.2 0.465 103.5 36.4 -90.9 -0.9 44.8 -12.3 91.3 99 104 A F S S+ 0 0 5 -3,-0.3 -7,-0.5 569,-0.2 2,-0.2 -0.974 103.5 21.4-145.8 151.5 48.1 -10.8 90.0 100 105 A G B > S+K 103 0C 0 3,-0.7 3,-1.7 -2,-0.3 -9,-0.2 -0.609 106.7 20.4 91.4-150.0 49.1 -7.3 88.9 101 106 A Q T 3 S+ 0 0 42 1,-0.3 -2,-0.1 -2,-0.2 -16,-0.1 -0.307 133.6 19.3 -63.7 133.7 47.3 -4.1 89.9 102 107 A G T 3 S+ 0 0 0 -18,-0.3 -48,-2.4 -49,-0.1 -47,-0.4 0.580 121.9 71.6 81.3 13.3 45.2 -4.5 93.0 103 108 A A B < +K 100 0C 0 -3,-1.7 -3,-0.7 -50,-0.2 -20,-0.2 -0.165 44.0 138.0-159.2 46.3 47.4 -7.6 93.7 104 109 A G > - 0 0 2 -22,-2.6 3,-1.0 -5,-0.2 16,-0.1 0.677 50.7-143.0 -71.6 -20.4 51.0 -6.8 94.7 105 110 A F T 3 - 0 0 1 -23,-0.3 -22,-0.1 1,-0.2 -1,-0.1 0.688 52.4 -84.7 57.1 21.1 51.1 -9.4 97.5 106 111 A Y T 3 S+ 0 0 4 -24,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.833 90.8 137.4 56.4 41.7 53.2 -7.0 99.6 107 112 A L < - 0 0 2 -3,-1.0 13,-1.2 14,-0.1 2,-0.8 -0.781 62.4-120.3-114.9 154.1 56.5 -8.0 97.9 108 113 A N B -L 119 0D 30 -2,-0.3 11,-0.2 11,-0.2 2,-0.2 -0.891 42.1-130.6 -90.1 106.5 59.5 -6.2 96.6 109 114 A A + 0 0 6 9,-2.8 88,-0.2 -2,-0.8 87,-0.1 -0.393 33.8 172.9 -67.7 124.6 59.5 -7.3 92.9 110 115 A T + 0 0 88 86,-2.4 87,-0.2 -2,-0.2 2,-0.2 0.745 51.4 97.7 -90.4 -40.2 62.8 -8.6 91.6 111 116 A Q S >> S- 0 0 77 85,-1.9 4,-2.8 1,-0.1 3,-0.8 -0.353 82.1-116.7 -66.6 130.9 61.4 -9.7 88.2 112 117 A E H 3> S+ 0 0 173 1,-0.3 4,-0.6 2,-0.2 -1,-0.1 0.629 101.4 44.0 -44.3 -55.2 62.1 -7.2 85.5 113 118 A P H 34 S+ 0 0 86 0, 0.0 3,-0.3 0, 0.0 -23,-0.3 0.918 126.5 32.7 -61.7 -42.2 58.8 -5.9 84.2 114 119 A Y H X> S+ 0 0 29 -3,-0.8 4,-2.6 81,-0.3 3,-2.1 0.821 98.5 81.9 -84.1 -34.0 57.2 -5.5 87.6 115 120 A A H 3< S+ 0 0 29 -4,-2.8 -1,-0.2 1,-0.3 -3,-0.1 0.728 82.6 66.4 -41.9 -32.2 60.3 -4.6 89.6 116 121 A Q T 3< S+ 0 0 136 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.1 0.832 122.7 7.2 -64.7 -34.0 60.0 -1.0 88.4 117 122 A H T <4 S+ 0 0 15 -3,-2.1 2,-1.8 -4,-0.2 -2,-0.2 0.653 106.8 84.2-121.2 -28.1 56.8 -0.3 90.3 118 123 A Y < + 0 0 2 -4,-2.6 -9,-2.8 1,-0.2 3,-0.2 -0.408 41.9 132.4 -88.2 64.8 55.9 -3.2 92.6 119 124 A Q B > +L 108 0D 42 -2,-1.8 4,-2.1 -11,-0.2 3,-0.4 -0.300 22.1 147.8-104.0 50.8 58.0 -2.4 95.6 120 125 A M H > + 0 0 0 -13,-1.2 4,-2.2 1,-0.2 -12,-0.2 0.687 60.3 58.8 -67.0 -24.0 55.1 -3.0 98.0 121 126 A Y H > S+ 0 0 36 -14,-0.3 4,-2.0 -3,-0.2 5,-0.4 0.934 110.6 41.7 -68.9 -47.4 57.1 -4.3 100.9 122 127 A D H >>S+ 0 0 66 -3,-0.4 4,-2.1 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13.8 3.7 54.0 1119 273 D G T 3 S+ 0 0 23 1,-0.2 -537,-0.6 -2,-0.2 2,-0.3 0.297 89.8 146.7 90.5 -4.7 14.7 1.4 56.9 1120 274 D F < - 0 0 13 -3,-0.9 -34,-1.4 -37,-0.1 -1,-0.2 -0.506 36.1-140.4 -87.8 131.1 17.7 3.2 58.0 1121 275 D D - 0 0 23 -539,-0.4 -34,-0.3 -2,-0.3 -37,-0.2 0.019 23.6-115.1 -67.1 174.8 18.9 3.5 61.5 1122 276 D H S S+ 0 0 39 -36,-0.3 5,-0.1 -39,-0.1 -35,-0.1 0.554 87.5 102.1 -82.2 -8.8 20.5 6.4 63.6 1123 277 D S S >> S- 0 0 29 1,-0.1 4,-1.6 3,-0.1 3,-1.0 0.061 94.2 -99.0 -78.3 176.5 23.6 4.1 63.8 1124 278 D Y H 3> S+ 0 0 26 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.507 119.3 70.8 -76.5 -0.4 27.0 3.8 62.2 1125 279 D Y H 3> S+ 0 0 11 2,-0.2 4,-1.1 3,-0.1 -541,-0.5 0.850 103.5 42.2 -70.0 -39.4 25.4 1.2 60.0 1126 280 D F H <> S+ 0 0 0 -3,-1.0 4,-1.7 2,-0.2 3,-0.3 0.953 116.1 47.0 -69.2 -55.1 23.6 4.1 58.4 1127 281 D V H X S+ 0 0 0 -4,-1.6 4,-1.2 1,-0.2 3,-0.3 0.930 112.6 49.8 -51.8 -54.4 26.6 6.5 58.3 1128 282 D S H < S+ 0 0 23 -4,-1.7 -1,-0.2 -207,-0.2 -2,-0.2 0.796 107.1 55.5 -59.3 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-38.9 32.7 16.5 49.0 1139 293 D A H <>S+ 0 0 0 -4,-2.5 5,-3.5 1,-0.2 6,-0.5 0.928 105.8 46.9 -53.5 -52.0 35.4 15.4 46.5 1140 294 D R H ><5S+ 0 0 164 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.884 113.6 49.4 -55.9 -42.6 33.7 17.1 43.6 1141 295 D N H 3<5S+ 0 0 63 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.727 108.9 51.3 -72.2 -24.9 33.3 20.2 45.8 1142 296 D L T 3<5S- 0 0 10 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.366 120.5-111.6 -91.3 5.6 37.0 20.1 46.8 1143 297 D G T < 5S+ 0 0 63 -3,-1.0 -3,-0.2 -4,-0.2 -2,-0.1 0.787 84.9 122.0 72.7 31.4 37.8 19.9 43.1 1144 298 D L < 0 0 61 -5,-3.5 -4,-0.2 -6,-0.2 -5,-0.1 0.780 360.0 360.0 -98.7 -34.0 39.1 16.3 43.4 1145 299 D I 0 0 98 -6,-0.5 -5,-0.2 -9,-0.2 -6,-0.1 0.193 360.0 360.0-122.1 360.0 36.7 14.8 40.9