==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-FEB-06 2G4F . COMPND 2 MOLECULE: HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES OLIVACEOVIRIDIS; . AUTHOR S.DIERTAVITIAN,S.KANEKO,Z.FUJIMOTO,A.KUNO,E.JOHANSSON,L.LO L . 604 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21886.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 435 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.6 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 33 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.5 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 4 1 1 0 0 2 4 0 6 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 8 4 0 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 . 8 0 0 0 0 0 0 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 . 2 2 0 0 0 0 0 2 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 A 0 0 81 0, 0.0 10,-0.0 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 167.7 32.2 -3.9 71.8 2 2 A E + 0 0 110 9,-0.0 299,-0.1 7,-0.0 6,-0.1 -0.323 360.0 84.9 123.4 -67.1 29.8 -6.0 72.0 3 3 A S S S+ 0 0 86 4,-0.0 2,-0.3 5,-0.0 294,-0.1 0.808 88.6 42.9 -78.1 -33.5 27.2 -3.7 73.6 4 4 A T S > S- 0 0 28 1,-0.1 4,-2.1 293,-0.1 5,-0.2 -0.812 83.4-115.5-115.0 158.1 25.7 -1.9 70.5 5 5 A L H > S+ 0 0 0 -2,-0.3 4,-2.4 1,-0.2 33,-0.2 0.902 111.2 45.7 -57.7 -50.3 24.7 -3.3 67.1 6 6 A G H > S+ 0 0 2 31,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.876 112.7 49.9 -65.6 -41.8 27.3 -1.4 64.9 7 7 A A H 4 S+ 0 0 33 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.885 113.3 47.2 -63.8 -38.5 30.2 -2.1 67.3 8 8 A A H >< S+ 0 0 0 -4,-2.1 3,-0.8 2,-0.2 4,-0.4 0.871 110.1 51.6 -71.0 -39.2 29.3 -5.8 67.3 9 9 A A H ><>S+ 0 0 1 -4,-2.4 5,-2.2 1,-0.2 3,-2.0 0.933 103.5 60.0 -58.7 -44.0 28.9 -5.9 63.5 10 10 A A G ><5S+ 0 0 53 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.689 86.2 77.3 -60.1 -21.7 32.4 -4.3 63.2 11 11 A Q G < 5S+ 0 0 95 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.802 105.4 34.4 -58.1 -28.9 33.9 -7.3 65.0 12 12 A S G < 5S- 0 0 54 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.159 128.4 -95.1-112.4 19.1 33.5 -9.2 61.8 13 13 A G T < 5S+ 0 0 72 -3,-1.4 -3,-0.3 1,-0.3 2,-0.2 0.566 88.6 117.5 86.4 10.9 34.3 -6.3 59.5 14 14 A R < - 0 0 33 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.3 -0.508 54.9-129.7-111.4 171.3 30.6 -5.4 58.9 15 15 A Y E -a 262 0A 19 246,-1.2 248,-1.9 -2,-0.2 2,-0.5 -0.878 1.9-152.6-115.8 155.8 28.4 -2.5 59.6 16 16 A F E +a 263 0A 1 -2,-0.3 23,-2.4 246,-0.2 24,-0.7 -0.977 32.1 172.3-123.8 118.7 25.0 -2.2 61.2 17 17 A G E -ab 264 40A 0 246,-3.1 248,-2.5 -2,-0.5 2,-0.3 -0.660 18.1-156.6-119.6 173.5 23.1 0.9 59.9 18 18 A T E -ab 265 41A 0 22,-2.0 24,-2.1 246,-0.3 2,-0.5 -0.878 29.2 -98.4-138.9 175.9 19.7 2.5 59.9 19 19 A A E - b 0 42A 0 246,-0.9 2,-0.4 -2,-0.3 249,-0.2 -0.871 37.8-158.8 -94.4 127.7 17.5 4.9 58.0 20 20 A I E - b 0 43A 0 22,-2.5 24,-3.0 -2,-0.5 2,-0.5 -0.901 4.0-155.8-112.0 141.3 17.7 8.5 59.3 21 21 A A > - 0 0 8 -2,-0.4 3,-2.2 22,-0.2 4,-0.4 -0.963 13.9-143.3-123.1 117.0 15.0 11.0 58.7 22 22 A S G > S+ 0 0 19 -2,-0.5 3,-1.2 1,-0.3 4,-0.2 0.779 99.5 62.2 -53.6 -29.6 16.0 14.7 58.9 23 23 A G G > S+ 0 0 70 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.794 100.6 51.0 -67.4 -28.7 12.6 15.5 60.5 24 24 A K G X S+ 0 0 69 -3,-2.2 3,-1.7 1,-0.2 -1,-0.3 0.418 81.7 98.1 -89.7 4.4 13.3 13.4 63.5 25 25 A L G < S+ 0 0 24 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.1 0.632 78.6 56.0 -71.4 -12.7 16.8 15.1 64.1 26 26 A G G < S+ 0 0 75 -3,-0.5 2,-0.6 -4,-0.2 -1,-0.3 0.254 87.1 91.2 -97.2 10.7 15.3 17.4 66.8 27 27 A D <> - 0 0 57 -3,-1.7 4,-1.8 1,-0.1 5,-0.1 -0.935 60.7-167.5-101.7 113.9 14.0 14.4 68.8 28 28 A S H > S+ 0 0 84 -2,-0.6 4,-2.4 2,-0.2 5,-0.2 0.782 84.2 59.6 -85.5 -21.7 16.8 13.5 71.2 29 29 A A H > S+ 0 0 51 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.946 110.3 48.4 -58.1 -42.7 15.4 10.2 72.3 30 30 A Y H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.898 114.8 41.5 -65.0 -45.6 15.7 9.4 68.6 31 31 A T H X S+ 0 0 26 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.797 108.6 58.8 -76.0 -30.8 19.3 10.7 68.2 32 32 A T H X S+ 0 0 86 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.980 115.5 37.1 -57.8 -53.4 20.6 9.2 71.4 33 33 A I H X S+ 0 0 9 -4,-1.9 4,-2.4 -5,-0.2 5,-0.3 0.966 118.3 48.9 -60.8 -55.9 19.6 5.7 70.2 34 34 A A H X S+ 0 0 1 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.874 113.9 46.2 -57.6 -42.5 20.5 6.3 66.5 35 35 A S H < S+ 0 0 38 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.928 116.5 45.1 -64.6 -44.3 23.9 7.7 67.4 36 36 A R H < S+ 0 0 105 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.830 119.0 37.4 -68.1 -36.1 24.7 4.9 69.9 37 37 A E H < S+ 0 0 2 -4,-2.4 -31,-2.5 -5,-0.2 2,-0.3 0.794 104.4 60.0 -97.5 -31.2 23.5 1.9 67.9 38 38 A F < - 0 0 6 -4,-1.5 -21,-0.2 -5,-0.3 3,-0.1 -0.812 39.0-175.6-112.7 142.9 24.4 2.4 64.2 39 39 A N S S+ 0 0 42 -23,-2.4 38,-2.3 -2,-0.3 2,-0.3 0.153 79.5 54.7-108.9 12.2 27.7 2.9 62.3 40 40 A M E -bc 17 77A 1 -24,-0.7 -22,-2.0 36,-0.2 2,-0.4 -0.992 64.0-166.9-148.7 146.1 25.9 3.4 58.9 41 41 A V E -bc 18 78A 0 36,-1.7 38,-2.5 -2,-0.3 2,-0.4 -0.999 8.5-168.9-138.7 133.8 23.2 5.8 57.8 42 42 A T E -bc 19 79A 1 -24,-2.1 -22,-2.5 -2,-0.4 2,-0.4 -0.991 32.5-120.5-114.1 135.2 21.0 6.0 54.8 43 43 A A E -b 20 0A 0 36,-0.8 4,-0.3 -2,-0.4 -22,-0.2 -0.611 21.2-148.1 -75.6 126.2 19.0 9.2 54.3 44 44 A E S S- 0 0 25 -24,-3.0 -1,-0.2 -2,-0.4 -23,-0.1 0.839 81.1 -14.8 -69.2 -33.6 15.4 8.0 54.3 45 45 A N S > S+ 0 0 72 -25,-0.4 3,-1.5 18,-0.1 6,-0.3 0.524 114.1 87.3-137.4 -25.5 14.0 10.6 51.9 46 46 A E T 3 S+ 0 0 15 1,-0.3 18,-0.3 17,-0.2 19,-0.1 0.567 89.7 46.6 -78.5 -14.5 16.5 13.4 51.5 47 47 A M T 3 S+ 0 0 0 34,-0.6 -1,-0.3 -4,-0.3 2,-0.1 0.173 84.0 115.3-110.6 19.5 18.7 12.0 48.7 48 48 A K S <> S- 0 0 31 -3,-1.5 4,-1.9 1,-0.1 3,-0.4 -0.361 81.9-102.9 -79.8 167.0 15.9 10.9 46.4 49 49 A I H > S+ 0 0 4 33,-0.3 4,-2.3 1,-0.3 40,-0.2 0.853 122.4 48.8 -65.0 -39.8 15.5 12.7 43.0 50 50 A D H 4 S+ 0 0 68 38,-1.7 -1,-0.3 1,-0.2 39,-0.1 0.776 114.2 48.0 -67.7 -28.2 12.6 14.8 44.1 51 51 A A H 4 S+ 0 0 31 -3,-0.4 -2,-0.2 -6,-0.3 12,-0.2 0.785 121.5 32.5 -82.9 -28.2 14.5 15.8 47.2 52 52 A T H < S+ 0 0 0 -4,-1.9 8,-2.2 1,-0.2 -2,-0.2 0.688 132.4 25.0-102.7 -25.8 17.8 16.7 45.4 53 53 A E < + 0 0 5 -4,-2.3 -1,-0.2 -5,-0.3 6,-0.2 -0.504 65.4 152.7-138.9 64.0 16.7 18.1 42.0 54 54 A P S S+ 0 0 63 0, 0.0 2,-0.4 0, 0.0 38,-0.3 0.749 76.2 38.6 -69.6 -22.4 13.1 19.4 42.6 55 55 A Q B > S-I 58 0B 123 3,-0.9 3,-1.8 -3,-0.1 2,-0.3 -0.971 109.2 -93.2-125.0 144.0 13.6 21.9 39.8 56 56 A R T 3 S- 0 0 110 -2,-0.4 3,-0.1 1,-0.3 -3,-0.0 -0.378 106.6 -2.4 -68.4 120.8 15.4 20.8 36.7 57 57 A G T 3 S+ 0 0 42 -2,-0.3 2,-0.7 1,-0.1 -1,-0.3 0.310 110.8 99.2 85.1 -6.7 19.1 21.8 36.9 58 58 A Q B < -I 55 0B 114 -3,-1.8 -3,-0.9 2,-0.0 -1,-0.1 -0.881 60.5-162.9-115.6 98.9 18.7 23.4 40.3 59 59 A F - 0 0 64 -2,-0.7 2,-0.4 -6,-0.2 -6,-0.3 -0.420 8.5-154.5 -83.6 158.6 19.8 21.0 43.0 60 60 A N + 0 0 75 -8,-2.2 4,-0.2 -2,-0.1 3,-0.1 -0.939 19.1 167.5-136.8 112.1 18.9 21.3 46.7 61 61 A F > + 0 0 31 -2,-0.4 4,-3.7 1,-0.1 5,-0.3 0.408 45.5 101.8-110.4 5.3 21.2 19.7 49.2 62 62 A S H > S+ 0 0 92 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.916 88.2 37.0 -57.4 -58.2 20.1 21.0 52.5 63 63 A A H > S+ 0 0 37 -12,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.843 120.0 50.7 -67.1 -33.7 18.1 18.2 53.9 64 64 A G H > S+ 0 0 1 -18,-0.3 4,-2.5 -4,-0.2 -2,-0.2 0.931 111.9 45.9 -69.8 -45.3 20.6 15.7 52.4 65 65 A D H X S+ 0 0 37 -4,-3.7 4,-3.6 2,-0.2 5,-0.3 0.829 106.9 59.4 -66.5 -30.3 23.6 17.4 53.9 66 66 A R H X S+ 0 0 131 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.946 112.0 39.0 -65.5 -47.7 21.8 17.7 57.2 67 67 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.901 116.9 52.7 -62.9 -43.0 21.5 13.9 57.4 68 68 A Y H X S+ 0 0 30 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.932 112.2 43.0 -61.8 -49.5 25.0 13.5 55.9 69 69 A N H X S+ 0 0 68 -4,-3.6 4,-2.2 2,-0.2 -1,-0.2 0.768 111.8 54.3 -69.5 -29.5 26.7 15.8 58.4 70 70 A W H X S+ 0 0 35 -4,-1.5 4,-1.1 -5,-0.3 6,-0.2 0.958 111.9 45.6 -65.9 -48.4 24.8 14.3 61.3 71 71 A A H <>S+ 0 0 0 -4,-2.6 5,-2.9 1,-0.2 3,-0.5 0.913 115.7 45.5 -56.8 -43.9 26.0 10.8 60.3 72 72 A V H ><5S+ 0 0 63 -4,-2.0 3,-1.2 1,-0.3 -1,-0.2 0.904 110.3 51.3 -79.8 -41.4 29.5 11.9 59.8 73 73 A Q H 3<5S+ 0 0 143 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.670 109.6 54.1 -60.7 -21.7 29.8 13.9 62.9 74 74 A N T 3<5S- 0 0 57 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.003 123.6-100.3-108.5 26.2 28.5 10.9 64.9 75 75 A G T < 5S+ 0 0 70 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.546 78.9 131.0 77.5 9.2 31.1 8.5 63.5 76 76 A K < - 0 0 15 -5,-2.9 -36,-0.2 -6,-0.2 -1,-0.2 -0.634 50.2-133.3 -97.7 151.5 28.9 6.8 60.8 77 77 A Q E -c 40 0A 118 -38,-2.3 -36,-1.7 -2,-0.3 2,-0.4 -0.400 27.6-127.2 -84.1 174.2 29.3 6.0 57.2 78 78 A V E -c 41 0A 2 -38,-0.2 43,-1.2 41,-0.2 44,-1.0 -0.984 11.6-155.3-134.4 127.8 26.6 6.8 54.6 79 79 A R E -cd 42 122A 0 -38,-2.5 -36,-0.8 -2,-0.4 2,-0.4 -0.866 26.6-131.0 -92.4 134.4 24.7 5.0 51.9 80 80 A G E - d 0 123A 0 42,-3.1 44,-2.9 -2,-0.5 2,-0.3 -0.678 19.1-143.5 -85.2 131.5 23.3 7.2 49.1 81 81 A H E - d 0 124A 5 -2,-0.4 -34,-0.6 1,-0.2 44,-0.1 -0.892 55.9 -18.9-143.4 106.3 19.6 6.6 48.3 82 82 A T E + 0 0 0 42,-0.6 -33,-0.3 -2,-0.3 -1,-0.2 0.720 37.1 168.2-157.6 155.6 19.0 6.8 45.3 83 83 A L E S+ 0 0 2 41,-2.0 2,-0.4 1,-0.2 43,-0.2 0.853 83.9 26.5 -88.8 -38.9 20.0 8.1 42.0 84 84 A A E S+ d 0 126A 2 41,-1.7 43,-2.1 40,-0.4 2,-0.3 -0.952 72.5 141.3-137.1 118.6 17.7 6.5 39.4 85 85 A W E - d 0 127A 22 -2,-0.4 43,-0.1 41,-0.2 44,-0.1 -0.991 52.3-129.5-156.0 144.8 14.2 5.4 40.2 86 86 A H S S+ 0 0 51 41,-0.5 3,-0.3 -2,-0.3 2,-0.2 0.784 95.1 50.4 -69.8 -30.6 10.7 5.2 38.7 87 87 A S S S+ 0 0 45 1,-0.2 -38,-0.2 -3,-0.1 -2,-0.1 -0.684 94.0 42.7-111.4 169.6 9.2 6.8 41.9 88 88 A A S S+ 0 0 23 1,-0.3 -38,-1.7 -2,-0.2 -37,-0.2 0.781 79.6 146.2 63.5 31.9 10.0 9.8 43.9 89 89 A Q - 0 0 12 -3,-0.3 -1,-0.3 -40,-0.2 2,-0.1 -0.737 49.4-118.1 -88.6 145.5 10.5 11.7 40.6 90 90 A P >> - 0 0 10 0, 0.0 4,-2.2 0, 0.0 3,-0.7 -0.352 31.9 -99.6 -71.2 166.3 9.6 15.4 40.5 91 91 A G H 3> S+ 0 0 42 1,-0.3 4,-1.6 2,-0.2 -36,-0.1 0.909 121.3 54.7 -53.7 -51.9 6.9 16.6 38.1 92 92 A W H 34 S+ 0 0 49 -38,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.768 111.4 46.1 -57.2 -29.6 9.4 17.9 35.5 93 93 A M H X4 S+ 0 0 3 -3,-0.7 3,-1.5 2,-0.2 -1,-0.2 0.860 106.0 56.2 -83.8 -36.7 11.0 14.4 35.3 94 94 A Q H 3< S+ 0 0 126 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.832 104.7 56.2 -61.4 -31.3 7.7 12.4 35.2 95 95 A S T 3< S+ 0 0 104 -4,-1.6 -1,-0.3 -5,-0.2 2,-0.2 0.615 93.9 92.3 -71.3 -17.1 6.8 14.4 32.1 96 96 A L < + 0 0 30 -3,-1.5 2,-0.3 -4,-0.2 -3,-0.0 -0.560 48.1 168.7 -90.9 150.8 10.0 13.4 30.3 97 97 A S >> + 0 0 79 -2,-0.2 4,-2.1 49,-0.0 3,-0.7 -0.846 42.7 5.4-141.3 175.3 10.6 10.6 27.9 98 98 A G H 3> S- 0 0 31 44,-0.3 4,-1.9 -2,-0.3 3,-0.2 -0.005 121.1 -11.1 50.9-138.6 13.1 9.2 25.5 99 99 A S H 3> S+ 0 0 98 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.786 134.1 56.9 -69.9 -32.6 16.4 10.9 25.1 100 100 A T H <> S+ 0 0 62 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.905 109.3 46.3 -63.7 -41.5 15.5 14.0 27.1 101 101 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.909 111.2 53.1 -66.9 -39.5 14.7 11.8 30.1 102 102 A R H X S+ 0 0 37 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.932 109.0 48.9 -54.7 -49.9 17.9 9.9 29.5 103 103 A Q H X S+ 0 0 94 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.897 111.1 50.6 -63.2 -35.8 19.9 13.2 29.6 104 104 A A H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.884 108.5 51.5 -67.5 -39.6 18.1 14.2 32.7 105 105 A M H X S+ 0 0 4 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.935 112.8 45.1 -60.3 -46.3 18.9 10.8 34.4 106 106 A I H X S+ 0 0 30 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.916 113.0 51.4 -64.8 -44.9 22.6 11.2 33.5 107 107 A D H X S+ 0 0 64 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.873 108.0 52.3 -57.9 -39.6 22.6 14.8 34.6 108 108 A H H X S+ 0 0 1 -4,-2.1 4,-2.9 2,-0.2 5,-0.4 0.975 110.7 46.5 -65.5 -48.6 21.0 13.9 38.0 109 109 A I H X>S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.5 0.971 113.0 49.4 -54.6 -59.3 23.6 11.2 38.7 110 110 A N H X5S+ 0 0 74 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.836 115.5 43.8 -48.5 -42.0 26.5 13.6 37.7 111 111 A G H X5S+ 0 0 23 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.899 117.1 42.1 -75.0 -44.9 25.2 16.4 39.9 112 112 A V H X5S+ 0 0 0 -4,-2.9 4,-1.3 2,-0.2 -2,-0.2 0.919 119.2 42.7 -74.3 -45.5 24.3 14.4 43.0 113 113 A M H <5S+ 0 0 0 -4,-2.7 -1,-0.2 -5,-0.4 -2,-0.2 0.851 111.2 59.4 -68.3 -34.5 27.4 12.2 43.1 114 114 A G H ><< S+ 0 0 2 -4,-1.3 3,-2.3 -5,-0.1 4,-0.4 0.173 84.3 158.0-108.0 17.2 28.9 14.0 47.5 117 117 A K T < S- 0 0 123 -3,-1.0 -3,-0.1 1,-0.3 45,-0.1 -0.116 71.4 -1.9 -56.9 128.9 32.1 12.9 45.7 118 118 A G T 3 S+ 0 0 55 2,-0.2 -1,-0.3 1,-0.1 -4,-0.1 0.521 115.6 87.2 70.9 9.0 34.3 10.6 47.8 119 119 A K < + 0 0 109 -3,-2.3 2,-0.5 1,-0.1 -41,-0.2 0.357 68.6 81.4-116.3 0.1 32.0 10.9 50.9 120 120 A I - 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