==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 25-JAN-94 1BYA . COMPND 2 MOLECULE: BETA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR B.MIKAMI,M.DEGANO,E.J.HEHRE,J.C.SACCHETTINI . 491 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19109.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 2.9 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 1 0.2 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 . 38 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.2 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 2 2 1 0 1 1 0 1 0 1 4 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 5 1 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 PARALLEL BRIDGES PER LADDER . 3 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 5 A S 0 0 120 0, 0.0 402,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-131.3 -5.0 66.6 15.0 2 6 A N > - 0 0 89 1,-0.1 3,-2.6 400,-0.1 4,-0.1 -0.391 360.0-132.8 -70.8 137.1 -6.7 63.5 13.7 3 7 A M G > S+ 0 0 49 1,-0.3 3,-2.3 2,-0.2 4,-0.2 0.685 102.3 80.3 -50.7 -26.2 -8.4 60.9 15.7 4 8 A L G > S+ 0 0 26 1,-0.3 3,-2.6 2,-0.2 -1,-0.3 0.854 74.2 71.0 -59.0 -27.5 -6.5 58.6 13.5 5 9 A L G < S+ 0 0 47 -3,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.531 93.2 60.7 -61.8 -13.9 -3.4 59.2 15.6 6 10 A N G < S+ 0 0 1 -3,-2.3 -1,-0.3 398,-0.2 2,-0.2 0.384 77.0 123.6 -88.7 -10.7 -5.3 57.1 18.3 7 11 A Y < - 0 0 7 -3,-2.6 431,-0.2 431,-0.2 430,-0.1 -0.404 41.5-168.5 -62.4 127.3 -5.5 54.0 16.0 8 12 A V - 0 0 1 429,-1.8 403,-0.1 -2,-0.2 402,-0.1 -0.979 23.1-127.3-114.4 117.7 -4.0 50.8 17.5 9 13 A P - 0 0 0 0, 0.0 403,-1.7 0, 0.0 2,-0.4 -0.322 17.4-143.7 -64.8 161.0 -3.6 48.0 14.9 10 14 A V E -a 412 0A 0 32,-0.2 35,-1.5 401,-0.2 34,-1.3 -0.972 13.7-172.8-133.7 130.3 -5.0 44.5 15.4 11 15 A Y E -ab 413 45A 12 401,-2.1 403,-1.6 -2,-0.4 2,-0.4 -0.708 11.6-147.2-118.9 158.2 -3.5 41.1 14.4 12 16 A V E -ab 414 46A 0 33,-0.8 35,-1.7 -2,-0.2 2,-0.3 -0.993 18.3-125.4-132.2 134.8 -5.0 37.7 14.5 13 17 A M E - b 0 47A 13 401,-1.3 404,-0.5 -2,-0.4 35,-0.2 -0.655 25.0-126.3 -87.4 134.5 -3.0 34.7 15.2 14 18 A L - 0 0 2 33,-2.4 402,-0.1 -2,-0.3 35,-0.1 -0.398 38.6 -82.2 -73.3 164.7 -3.3 31.8 12.6 15 19 A P > - 0 0 42 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.316 49.3-102.0 -69.7 141.5 -4.2 28.3 13.6 16 20 A L T 3 S+ 0 0 41 1,-0.2 4,-0.1 2,-0.1 32,-0.0 -0.329 107.2 23.2 -58.3 146.6 -1.5 26.1 14.9 17 21 A G T 3 + 0 0 18 2,-0.2 9,-0.3 -3,-0.1 -1,-0.2 0.608 68.2 144.6 72.0 14.1 -0.3 23.7 12.2 18 22 A V S < S+ 0 0 21 -3,-1.2 8,-1.0 1,-0.2 2,-0.5 0.817 86.2 36.6 -54.9 -28.9 -1.4 25.7 9.1 19 23 A V E S-J 25 0B 1 6,-0.2 6,-0.2 7,-0.1 -1,-0.2 -0.995 103.1-138.7-120.5 119.9 1.7 24.2 7.8 20 24 A N E >> -J 24 0B 22 4,-1.9 3,-4.4 -2,-0.5 4,-0.6 -0.395 25.6 -94.0 -79.4 172.9 2.1 20.8 9.1 21 25 A V T 34 S+ 0 0 61 1,-0.3 -1,-0.1 2,-0.2 78,-0.0 0.546 124.4 62.0 -54.7 -21.2 5.1 18.8 10.4 22 26 A D T 34 S- 0 0 127 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.414 118.4-112.6 -91.3 5.4 5.4 17.5 7.0 23 27 A N T <4 S+ 0 0 24 -3,-4.4 2,-0.5 1,-0.2 44,-0.2 0.932 71.2 140.6 66.1 44.6 6.0 20.9 5.6 24 28 A V E < -J 20 0B 72 -4,-0.6 -4,-1.9 43,-0.1 2,-1.4 -0.963 56.6-136.3-124.3 128.5 2.8 20.9 3.8 25 29 A F E -J 19 0B 28 -2,-0.5 -6,-0.2 -6,-0.2 -7,-0.1 -0.706 33.8-167.5 -82.6 97.5 0.5 23.9 3.4 26 30 A E + 0 0 125 -2,-1.4 -1,-0.2 -8,-1.0 3,-0.1 0.766 58.8 13.5 -58.2 -58.0 -2.6 21.9 4.1 27 31 A D >> + 0 0 88 -9,-0.4 4,-2.6 1,-0.1 3,-0.6 -0.506 56.0 163.9-137.9 80.2 -5.7 23.8 3.3 28 32 A P H 3> S+ 0 0 46 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.823 79.3 52.4 -65.4 -32.3 -5.3 26.8 1.3 29 33 A D H 3> S+ 0 0 110 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.811 110.4 48.7 -79.4 -25.9 -8.8 27.2 0.3 30 34 A G H <> S+ 0 0 13 -3,-0.6 4,-1.8 2,-0.2 3,-0.4 0.947 111.5 45.9 -74.9 -52.3 -10.0 27.0 3.8 31 35 A L H X S+ 0 0 7 -4,-2.6 4,-3.8 1,-0.3 5,-0.3 0.864 107.9 65.0 -55.4 -37.7 -7.6 29.5 5.3 32 36 A K H X S+ 0 0 89 -4,-1.6 4,-2.0 -5,-0.4 -1,-0.3 0.907 99.7 44.2 -56.3 -52.3 -8.5 31.5 2.5 33 37 A E H X S+ 0 0 133 -4,-1.3 4,-1.9 -3,-0.4 -1,-0.2 0.900 116.2 51.5 -61.7 -35.2 -12.1 32.1 3.2 34 38 A Q H X S+ 0 0 41 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.943 107.0 50.2 -63.8 -48.2 -11.1 32.7 6.8 35 39 A L H X S+ 0 0 0 -4,-3.8 4,-2.0 1,-0.3 -1,-0.2 0.888 111.1 51.0 -60.0 -36.0 -8.5 35.2 5.9 36 40 A L H X S+ 0 0 86 -4,-2.0 4,-1.3 -5,-0.3 -1,-0.3 0.826 105.4 55.1 -70.0 -33.7 -11.1 37.0 3.8 37 41 A Q H X S+ 0 0 86 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.927 109.4 48.8 -59.4 -44.6 -13.5 37.0 6.7 38 42 A L H X>S+ 0 0 0 -4,-2.4 5,-2.0 2,-0.2 4,-0.8 0.887 106.1 54.7 -60.6 -49.0 -10.9 38.8 8.8 39 43 A R H ><5S+ 0 0 50 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.904 107.4 52.0 -61.5 -27.4 -10.0 41.5 6.2 40 44 A A H 3<5S+ 0 0 86 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.826 102.9 56.5 -79.5 -32.9 -13.6 42.5 6.0 41 45 A A H 3<5S- 0 0 18 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.581 124.9-105.2 -66.9 -24.5 -13.9 42.8 9.7 42 46 A G T <<5 + 0 0 9 -4,-0.8 -32,-0.2 -3,-0.7 -3,-0.2 0.638 57.8 168.3 106.1 14.3 -11.0 45.3 9.4 43 47 A V < - 0 0 0 -5,-2.0 -1,-0.2 1,-0.1 -32,-0.1 -0.381 28.6-148.8 -60.1 130.7 -8.2 43.2 10.8 44 48 A D - 0 0 6 -34,-1.3 37,-1.3 -2,-0.1 2,-0.2 0.921 62.2 -43.3 -72.0 -41.1 -4.8 44.8 10.1 45 49 A G E -bc 11 81A 0 -35,-1.5 -33,-0.8 35,-0.2 2,-0.3 -0.874 52.9-105.0-165.5-166.0 -2.8 41.6 9.8 46 50 A V E -bc 12 82A 0 35,-2.3 37,-2.9 -35,-0.3 2,-0.4 -0.900 15.9-137.8-141.2 163.9 -2.0 38.1 11.1 47 51 A M E -bc 13 83A 0 -35,-1.7 -33,-2.4 -2,-0.3 2,-0.3 -0.961 19.8-177.3-130.8 130.6 0.8 36.3 13.0 48 52 A V E - c 0 84A 4 35,-2.2 37,-1.8 -2,-0.4 2,-0.4 -0.982 26.0-123.2-132.6 149.5 2.2 32.9 12.3 49 53 A D E - c 0 85A 18 -2,-0.3 2,-0.8 35,-0.2 37,-0.1 -0.765 16.2-152.9 -84.2 137.9 4.8 30.6 13.9 50 54 A V E - c 0 86A 0 35,-2.4 37,-0.6 -2,-0.4 2,-0.2 -0.740 23.3-140.5-108.1 82.2 7.7 29.7 11.6 51 55 A W E >> - c 0 87A 10 -2,-0.8 4,-1.8 1,-0.2 3,-1.7 -0.180 15.7-160.4 -51.0 114.8 8.7 26.3 13.0 52 56 A W H 3> S+ 0 0 0 35,-2.7 4,-2.1 1,-0.3 -1,-0.2 0.860 93.4 59.7 -57.2 -32.7 12.3 25.7 13.2 53 57 A G H 34 S+ 0 0 6 34,-0.5 -1,-0.3 36,-0.3 52,-0.2 0.588 106.2 43.6 -82.5 -5.8 11.4 22.1 13.5 54 58 A I H X4 S+ 0 0 3 -3,-1.7 3,-0.6 47,-0.1 -1,-0.2 0.823 118.2 43.5 -95.6 -41.0 9.6 21.9 10.2 55 59 A I H 3< S+ 0 0 3 -4,-1.8 9,-1.3 1,-0.2 3,-0.3 0.868 119.3 35.1 -75.4 -45.0 12.1 23.8 8.2 56 60 A E T 3< S+ 0 0 0 -4,-2.1 50,-0.2 -5,-0.2 -1,-0.2 -0.175 85.0 123.2-105.4 37.1 15.5 22.5 9.2 57 61 A L < + 0 0 69 -3,-0.6 49,-0.4 1,-0.2 48,-0.2 0.909 62.5 50.0 -67.4 -52.5 14.2 19.1 9.7 58 62 A K S S- 0 0 175 4,-0.4 -1,-0.2 -3,-0.3 5,-0.1 0.685 121.0 -46.8 -63.8 -34.0 16.4 17.1 7.4 59 63 A G S > S- 0 0 6 3,-0.4 3,-2.4 -3,-0.1 -1,-0.2 -0.924 81.0 -41.4 175.8 171.2 19.7 18.2 8.5 60 64 A P T 3 S- 0 0 49 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.320 125.8 -0.9 -58.3 128.7 21.9 21.2 9.4 61 65 A K T 3 S+ 0 0 124 1,-0.2 2,-1.1 -5,-0.1 -4,-0.1 0.611 92.6 128.7 61.9 24.0 21.3 23.9 6.9 62 66 A Q < + 0 0 111 -3,-2.4 -4,-0.4 -6,-0.1 2,-0.4 -0.780 37.7 175.4-101.7 80.9 18.8 21.9 4.9 63 67 A Y - 0 0 49 -2,-1.1 2,-0.5 -7,-0.1 -7,-0.2 -0.768 22.4-166.9 -93.5 139.5 16.0 24.5 4.8 64 68 A D + 0 0 45 -9,-1.3 4,-0.3 -2,-0.4 3,-0.2 -0.862 13.6 168.6-121.4 104.2 12.8 24.0 2.9 65 69 A W > + 0 0 12 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.447 47.7 100.9 -88.9 -1.1 10.9 27.4 2.7 66 70 A R H > S+ 0 0 178 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.894 77.9 45.4 -59.7 -60.1 8.3 26.4 0.1 67 71 A A H > S+ 0 0 12 -3,-0.2 4,-1.9 -44,-0.2 -1,-0.2 0.932 115.2 50.7 -53.6 -39.4 5.2 25.7 2.1 68 72 A Y H > S+ 0 0 2 -4,-0.3 4,-3.4 1,-0.2 5,-0.3 0.955 106.3 55.4 -64.2 -40.8 5.8 28.9 4.1 69 73 A R H X S+ 0 0 78 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.921 107.2 50.0 -52.0 -44.3 6.2 30.9 0.8 70 74 A S H X S+ 0 0 65 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.924 110.6 50.1 -62.9 -39.3 2.8 29.6 -0.4 71 75 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.947 109.4 49.7 -65.0 -48.7 1.3 30.7 2.9 72 76 A F H X S+ 0 0 0 -4,-3.4 4,-2.6 1,-0.2 5,-0.2 0.887 107.9 56.0 -60.0 -35.9 2.8 34.2 2.7 73 77 A Q H X S+ 0 0 85 -4,-2.4 4,-3.2 -5,-0.3 -1,-0.2 0.957 107.8 46.9 -55.2 -52.3 1.5 34.5 -0.9 74 78 A L H X S+ 0 0 16 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.909 110.8 51.1 -61.1 -42.6 -2.1 33.9 0.1 75 79 A V H >X>S+ 0 0 0 -4,-2.1 5,-1.4 2,-0.2 3,-0.9 0.947 111.2 48.8 -57.8 -53.7 -1.9 36.2 3.1 76 80 A Q H ><5S+ 0 0 68 -4,-2.6 3,-1.3 1,-0.3 -2,-0.2 0.919 107.9 54.6 -55.5 -41.2 -0.6 38.9 0.8 77 81 A E H 3<5S+ 0 0 115 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.792 104.6 56.7 -61.0 -23.8 -3.4 38.1 -1.7 78 82 A C H <<5S- 0 0 8 -4,-1.3 -1,-0.2 -3,-0.9 -2,-0.2 0.466 116.1-110.8 -90.2 -0.0 -5.9 38.7 1.2 79 83 A G T <<5S+ 0 0 37 -3,-1.3 2,-0.4 -4,-0.5 -3,-0.2 0.865 74.9 128.1 80.2 33.0 -4.7 42.2 2.0 80 84 A L < - 0 0 5 -5,-1.4 -1,-0.3 -35,-0.0 -35,-0.2 -0.948 51.0-137.6-123.3 146.5 -3.2 41.4 5.3 81 85 A T E -c 45 0A 41 -37,-1.3 -35,-2.3 -2,-0.4 2,-0.4 -0.421 24.9-134.1 -94.2 174.6 0.2 42.1 6.8 82 86 A L E -cd 46 170A 0 87,-2.7 89,-2.6 -37,-0.2 90,-0.9 -0.984 15.2-155.0-145.2 131.6 2.1 39.6 8.7 83 87 A Q E -cd 47 172A 8 -37,-2.9 -35,-2.2 -2,-0.4 2,-0.4 -0.958 25.1-152.0 -97.8 121.6 4.1 39.1 11.9 84 88 A A E -cd 48 173A 0 88,-2.6 90,-4.3 -2,-0.5 2,-0.6 -0.802 2.2-152.8-104.2 133.2 6.6 36.2 11.7 85 89 A I E -cd 49 174A 5 -37,-1.8 -35,-2.4 -2,-0.4 2,-1.7 -0.934 11.7-143.4-101.4 123.9 7.7 34.3 14.7 86 90 A M E -cd 50 175A 0 88,-3.0 90,-1.3 -2,-0.6 2,-1.3 -0.677 28.8-164.6 -80.9 81.1 11.2 32.7 14.6 87 91 A S E +c 51 0A 0 -2,-1.7 -35,-2.7 -37,-0.6 -34,-0.5 -0.597 26.9 164.5 -81.2 96.0 10.0 29.7 16.5 88 92 A F + 0 0 0 -2,-1.3 43,-0.4 -37,-0.1 2,-0.3 -0.051 55.7 84.9 -89.0 24.0 13.0 27.8 17.8 89 93 A H S S- 0 0 11 41,-0.1 -36,-0.3 13,-0.1 41,-0.2 -0.829 83.6 -87.8-124.2 170.3 10.8 25.8 20.3 90 94 A Q - 0 0 36 39,-2.4 2,-0.5 -2,-0.3 90,-0.4 -0.489 30.3-138.2 -86.2 144.0 8.6 22.8 20.4 91 95 A C B -K 101 0C 8 10,-2.8 10,-2.9 -2,-0.2 2,-0.7 -0.904 65.6 -36.4 -97.4 127.5 5.0 22.9 19.5 92 96 A G + 0 0 25 -2,-0.5 8,-0.2 8,-0.2 3,-0.1 -0.557 59.4 167.5 73.0-113.8 2.6 20.9 21.8 93 97 A G + 0 0 38 -2,-0.7 2,-0.1 1,-0.2 -1,-0.1 0.080 50.9 83.3 89.5 -22.9 4.2 17.7 23.0 94 98 A N S > S- 0 0 54 1,-0.2 3,-0.9 2,-0.0 -1,-0.2 -0.393 86.7 -42.2-103.6-171.2 1.7 16.8 25.7 95 99 A V T 3 S+ 0 0 135 1,-0.2 -1,-0.2 -2,-0.1 3,-0.2 -0.135 118.9 4.7 -54.7 136.5 -1.7 15.1 26.0 96 100 A G T 3 S- 0 0 83 1,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.839 90.6-169.6 55.1 30.8 -4.6 15.6 23.6 97 101 A D < - 0 0 43 -3,-0.9 -1,-0.2 1,-0.1 3,-0.2 -0.446 24.5-153.7 -63.0 111.8 -2.1 17.7 21.6 98 102 A I S S- 0 0 132 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.987 82.9 -2.9 -34.7 -85.8 -3.7 19.7 18.8 99 103 A V - 0 0 25 -3,-0.1 2,-0.6 2,-0.0 -1,-0.2 -0.881 66.7-153.4-119.6 149.8 -0.4 19.8 16.9 100 104 A N + 0 0 65 -2,-0.4 -8,-0.2 -8,-0.2 -79,-0.1 -0.942 18.6 167.9-119.6 117.9 2.9 18.4 17.8 101 105 A I B -K 91 0C 0 -10,-2.9 -10,-2.8 -2,-0.6 -48,-0.2 -0.805 12.5-169.1-132.5 99.8 6.0 19.9 16.4 102 106 A P - 0 0 46 0, 0.0 3,-0.1 0, 0.0 27,-0.1 -0.123 31.6 -93.8 -75.3 175.3 9.2 18.9 17.9 103 107 A I S S- 0 0 5 25,-0.3 5,-0.1 1,-0.2 -50,-0.1 -0.411 71.1 -49.9 -81.8 166.7 12.5 20.6 17.2 104 108 A P >> - 0 0 0 0, 0.0 4,-2.0 0, 0.0 3,-1.7 -0.108 47.9-140.2 -43.7 123.1 14.8 19.3 14.6 105 109 A Q H 3> S+ 0 0 91 1,-0.3 4,-2.2 -52,-0.2 5,-0.1 0.677 101.4 63.5 -56.4 -29.0 15.3 15.6 15.0 106 110 A W H 3> S+ 0 0 21 -49,-0.4 4,-0.8 -50,-0.2 -1,-0.3 0.777 106.1 45.6 -73.1 -22.1 18.9 15.9 14.1 107 111 A V H X> S+ 0 0 0 -3,-1.7 4,-1.6 2,-0.2 3,-1.0 0.941 109.6 54.5 -78.7 -49.4 19.3 18.1 17.3 108 112 A L H 3X S+ 0 0 26 -4,-2.0 4,-1.2 1,-0.3 3,-0.3 0.879 103.5 58.8 -46.8 -41.7 17.3 15.6 19.2 109 113 A D H >X S+ 0 0 84 -4,-2.2 3,-0.9 1,-0.3 4,-0.8 0.937 102.9 50.1 -62.5 -38.6 19.7 13.1 18.0 110 114 A I H < + 0 0 28 -4,-1.2 3,-1.0 -5,-0.1 -1,-0.3 -0.674 61.6 174.0-138.0 88.6 24.3 14.8 25.4 115 119 A H G > + 0 0 76 -2,-0.3 3,-1.6 1,-0.3 -4,-0.1 0.592 67.7 81.5 -63.9 -21.5 21.4 15.3 27.6 116 120 A D G 3 S+ 0 0 31 1,-0.3 92,-0.3 -3,-0.1 -1,-0.3 0.359 71.9 80.9 -75.0 13.5 22.8 18.4 29.0 117 121 A I G < S+ 0 0 0 -3,-1.0 15,-2.2 -6,-0.1 2,-0.3 0.624 85.7 69.8 -88.4 -11.7 21.5 20.3 26.0 118 122 A F E < S-L 131 0D 1 -3,-1.6 13,-0.2 13,-0.2 10,-0.2 -0.750 97.8 -93.2-103.3 155.3 18.0 20.5 27.5 119 123 A Y E -L 127 0D 3 11,-0.8 8,-3.5 8,-0.5 2,-0.4 -0.312 47.6-164.2 -60.0 139.2 16.6 22.4 30.5 120 124 A T E -L 126 0D 4 83,-0.4 85,-1.9 6,-0.2 86,-0.3 -0.991 9.6-149.0-135.1 125.0 16.8 20.1 33.5 121 125 A N > - 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