==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE ESTERASE) 28-NOV-95 1XZK . COMPND 2 MOLECULE: CUTINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NECTRIA HAEMATOCOCCA MPVI; . AUTHOR C.MARTINEZ,C.CAMBILLAU . 394 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16483.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.5 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 . 0 0.0 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-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 21 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 3 3 0 0 0 0 0 1 3 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 3 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 . 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 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 17 A R 0 0 197 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -51.3 18.5 20.8 18.5 2 18 A T + 0 0 49 1,-0.1 30,-2.3 30,-0.1 29,-1.8 0.344 360.0 62.9 -87.9 3.0 16.5 17.6 19.2 3 19 A T + 0 0 72 27,-0.3 2,-0.4 28,-0.2 -1,-0.1 -0.989 56.4 165.7-133.6 120.1 18.1 17.1 22.7 4 20 A R + 0 0 41 -2,-0.4 52,-2.2 49,-0.0 3,-0.1 -0.985 10.5 168.6-137.0 124.2 17.6 19.6 25.5 5 21 A D B > +A 55 0A 56 -2,-0.4 4,-2.8 50,-0.2 5,-0.2 -0.218 26.6 139.5-126.1 39.4 18.4 18.7 29.2 6 22 A D H > S+ 0 0 38 48,-1.9 4,-0.6 1,-0.2 49,-0.2 0.847 76.0 44.4 -55.1 -43.2 18.2 22.3 30.7 7 23 A L H >4 S+ 0 0 0 47,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.975 114.2 48.7 -67.4 -50.9 16.5 21.1 33.8 8 24 A I H 34 S+ 0 0 70 1,-0.3 -2,-0.2 3,-0.0 -1,-0.2 0.864 118.2 41.3 -56.0 -39.0 18.8 18.0 34.3 9 25 A N H 3< S+ 0 0 123 -4,-2.8 -1,-0.3 2,-0.0 -2,-0.2 0.514 104.7 88.4 -88.7 -3.7 21.8 20.2 33.8 10 26 A G << - 0 0 10 -3,-1.4 2,-0.3 -4,-0.6 -3,-0.1 -0.204 53.9-164.9 -89.4 179.3 20.5 23.1 35.9 11 27 A N > - 0 0 81 1,-0.0 3,-1.1 81,-0.0 4,-0.5 -0.961 40.2 -91.4-154.9 167.1 20.6 24.1 39.6 12 28 A S G > S+ 0 0 84 -2,-0.3 3,-1.0 1,-0.3 -1,-0.0 0.830 119.2 59.9 -51.2 -39.9 19.0 26.4 42.1 13 29 A A G 3 S+ 0 0 102 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.833 115.5 32.3 -63.5 -31.8 21.6 29.1 41.5 14 30 A S G < S+ 0 0 68 -3,-1.1 -1,-0.2 2,-0.0 -2,-0.2 0.262 84.7 158.1-111.1 15.2 20.8 29.4 37.8 15 31 A a < - 0 0 42 -3,-1.0 2,-0.2 -4,-0.5 -3,-0.1 0.009 33.9-137.7 -40.9 134.9 17.0 28.6 37.9 16 32 A A - 0 0 4 1,-0.1 35,-0.2 2,-0.1 36,-0.1 -0.504 14.7-125.1 -87.7 167.6 15.0 29.9 35.0 17 33 A D S S+ 0 0 81 34,-0.3 80,-2.6 33,-0.2 2,-0.4 0.658 96.0 40.0 -85.7 -21.9 11.6 31.5 35.6 18 34 A V E -bc 52 97A 2 33,-0.8 35,-2.8 78,-0.2 2,-0.5 -0.999 66.4-167.4-131.7 132.8 9.8 29.1 33.3 19 35 A I E -bc 53 98A 0 78,-2.3 80,-2.2 -2,-0.4 2,-0.5 -0.986 4.3-164.3-125.5 121.7 10.4 25.3 32.8 20 36 A F E -bc 54 99A 0 33,-3.1 35,-2.3 -2,-0.5 2,-0.5 -0.920 1.7-167.4-108.4 123.9 9.0 23.4 29.9 21 37 A I E -bc 55 100A 0 78,-2.1 80,-1.5 -2,-0.5 2,-0.4 -0.968 13.5-176.1-114.2 126.7 8.9 19.6 30.0 22 38 A Y E -bc 56 101A 0 33,-2.7 35,-2.6 -2,-0.5 2,-0.5 -0.979 18.2-154.0-133.0 142.1 8.1 17.9 26.8 23 39 A A E - c 0 102A 0 78,-2.0 80,-1.8 -2,-0.4 87,-0.1 -0.936 19.2-140.6-117.7 124.0 7.6 14.3 25.6 24 40 A R - 0 0 5 -2,-0.5 82,-0.1 7,-0.5 9,-0.1 -0.089 23.0 -95.7 -76.5 173.7 8.2 13.2 22.0 25 41 A G > - 0 0 2 1,-0.2 3,-2.1 80,-0.2 79,-0.1 -0.370 56.4 -66.5 -87.0 168.1 6.3 10.8 19.8 26 42 A S T 3 S+ 0 0 18 1,-0.3 38,-0.2 -2,-0.1 -1,-0.2 -0.282 120.2 5.1 -57.3 135.1 7.0 7.1 19.1 27 43 A T T 3 S+ 0 0 109 36,-2.5 -1,-0.3 35,-0.3 37,-0.1 0.428 94.4 144.7 69.1 3.4 10.3 6.5 17.3 28 44 A E < - 0 0 32 -3,-2.1 -1,-0.2 35,-0.1 2,-0.1 -0.381 48.8-107.0 -73.6 155.5 11.3 10.2 17.4 29 45 A T S > S- 0 0 101 -2,-0.1 4,-1.9 3,-0.1 3,-0.4 -0.408 74.0 -9.4 -80.4 156.4 14.9 11.4 17.8 30 46 A G T 4 S- 0 0 27 1,-0.2 -27,-0.3 2,-0.2 -6,-0.1 -0.239 105.1 -64.9 54.2-147.5 16.6 12.9 20.9 31 47 A N T 4 S+ 0 0 10 -29,-1.8 26,-0.7 2,-0.1 -7,-0.5 0.410 133.4 46.5-113.9 1.3 14.2 13.9 23.6 32 48 A L T > S- 0 0 0 -30,-2.3 4,-1.7 -3,-0.4 3,-0.3 0.642 81.7-168.6-113.2 -20.5 12.3 16.6 21.7 33 49 A G T < - 0 0 4 -4,-1.9 -1,-0.1 -31,-0.6 -2,-0.1 -0.239 55.6 -39.6 62.9-152.7 11.6 14.9 18.3 34 50 A T T 4 S+ 0 0 96 1,-0.1 4,-0.4 2,-0.1 -1,-0.2 0.840 137.4 39.7 -78.9 -35.8 10.3 17.1 15.5 35 51 A L T >> S+ 0 0 7 -3,-0.3 4,-1.5 2,-0.1 3,-0.7 0.854 99.3 71.4 -86.5 -34.7 7.9 19.4 17.3 36 52 A G H 3X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 3,-0.2 0.869 94.4 51.8 -51.5 -48.4 9.7 20.2 20.5 37 53 A P H 3> S+ 0 0 7 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.826 106.7 54.4 -61.7 -35.0 12.5 22.4 19.1 38 54 A S H <> S+ 0 0 22 -3,-0.7 4,-1.4 -4,-0.4 -2,-0.2 0.908 110.1 46.2 -63.9 -44.5 10.0 24.7 17.3 39 55 A I H >X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 3,-0.5 0.959 111.4 54.1 -60.8 -47.4 8.1 25.3 20.5 40 56 A A H 3X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.892 103.4 54.6 -53.5 -47.5 11.4 25.9 22.3 41 57 A S H 3X S+ 0 0 48 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.857 110.7 46.6 -55.7 -41.0 12.5 28.6 19.7 42 58 A N H XX S+ 0 0 53 -4,-1.4 4,-2.2 -3,-0.5 3,-0.6 0.917 111.3 50.0 -68.0 -45.9 9.3 30.5 20.4 43 59 A L H 3X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.919 109.1 53.2 -58.6 -45.7 9.6 30.3 24.1 44 60 A E H 3< S+ 0 0 30 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.701 108.5 49.3 -63.1 -25.9 13.2 31.5 24.0 45 61 A S H << S+ 0 0 104 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.901 114.3 45.2 -79.3 -42.5 12.2 34.6 22.0 46 62 A A H < S+ 0 0 34 -4,-2.2 2,-0.3 -5,-0.1 -2,-0.2 0.911 129.2 22.5 -65.5 -51.6 9.4 35.4 24.5 47 63 A F S < S- 0 0 27 -4,-3.1 5,-0.1 -5,-0.2 2,-0.0 -0.722 107.7-101.7-103.8 162.6 11.4 34.8 27.6 48 64 A G > - 0 0 43 -2,-0.3 3,-0.9 1,-0.1 4,-0.4 -0.306 35.7 -95.1 -79.2-179.3 15.1 35.1 27.0 49 65 A K G > S+ 0 0 121 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.862 132.7 48.6 -58.1 -32.7 17.3 32.1 26.6 50 66 A D G 3 S+ 0 0 148 1,-0.2 -1,-0.3 -6,-0.1 -33,-0.2 0.621 102.8 61.8 -80.5 -19.2 18.0 32.7 30.3 51 67 A G G < S+ 0 0 19 -3,-0.9 -33,-0.8 -35,-0.2 2,-0.3 0.443 104.3 47.8 -90.1 3.3 14.4 33.0 31.2 52 68 A V E < - b 0 18A 1 -3,-0.7 2,-0.5 -4,-0.4 -33,-0.2 -0.996 60.2-153.8-149.8 134.9 13.3 29.5 30.1 53 69 A W E - b 0 19A 25 -35,-2.8 -33,-3.1 -2,-0.3 2,-0.5 -0.929 13.1-157.0-107.2 128.5 14.5 25.9 30.6 54 70 A I E + b 0 20A 0 -2,-0.5 -48,-1.9 -35,-0.2 2,-0.4 -0.933 15.6 175.4-106.8 126.3 13.6 23.3 27.9 55 71 A Q E -Ab 5 21A 3 -35,-2.3 -33,-2.7 -2,-0.5 2,-0.2 -0.972 14.5-157.0-134.6 118.7 13.6 19.6 29.0 56 72 A G E - b 0 22A 0 -52,-2.2 2,-0.9 -2,-0.4 -33,-0.2 -0.595 31.8-106.2 -89.3 159.5 12.6 16.7 26.9 57 73 A V + 0 0 0 -35,-2.6 -33,-0.4 -26,-0.7 25,-0.1 -0.744 59.6 143.0 -88.9 110.8 11.5 13.4 28.5 58 74 A G > + 0 0 15 -2,-0.9 3,-2.6 23,-0.1 5,-0.1 0.159 30.0 70.3-112.3-127.6 14.2 10.9 28.1 59 75 A G T 3 S+ 0 0 55 1,-0.3 19,-0.1 3,-0.1 -2,-0.0 -0.194 116.7 7.0 51.9-124.9 15.5 8.2 30.5 60 76 A A T 3 S+ 0 0 49 17,-0.2 2,-1.1 1,-0.1 -1,-0.3 0.597 109.4 98.9 -62.8 -15.6 13.0 5.3 30.8 61 77 A Y < + 0 0 0 -3,-2.6 -1,-0.1 1,-0.2 13,-0.0 -0.690 41.4 163.6 -81.5 102.0 10.9 6.9 28.1 62 78 A R - 0 0 145 -2,-1.1 -35,-0.3 2,-0.0 -1,-0.2 0.563 43.2-131.1 -93.6 -12.2 11.9 5.0 25.0 63 79 A A - 0 0 3 1,-0.2 -36,-2.5 -37,-0.1 2,-0.3 0.944 38.2-174.9 58.0 51.1 9.0 6.0 22.7 64 80 A T > - 0 0 58 -38,-0.2 4,-0.5 1,-0.1 3,-0.3 -0.590 31.9-138.2 -81.6 137.1 8.2 2.5 21.7 65 81 A L T >4 S+ 0 0 106 -2,-0.3 3,-0.9 1,-0.2 4,-0.2 0.879 103.9 54.9 -63.1 -35.2 5.6 1.7 19.1 66 82 A G G >4 S+ 0 0 47 1,-0.2 3,-2.1 2,-0.1 -1,-0.2 0.859 93.0 68.4 -67.8 -34.9 4.4 -1.2 21.2 67 83 A D G >4 S+ 0 0 37 1,-0.3 3,-1.9 -3,-0.3 -1,-0.2 0.696 80.9 76.9 -60.4 -20.3 3.8 0.8 24.4 68 84 A N G << S+ 0 0 19 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.1 0.718 89.6 59.2 -61.1 -23.7 0.9 2.6 22.8 69 85 A A G < S+ 0 0 82 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.496 80.9 105.0 -84.2 -10.1 -1.2 -0.5 23.3 70 86 A L S X S- 0 0 63 -3,-1.9 3,-2.1 -4,-0.2 5,-0.1 -0.357 92.9 -94.7 -67.3 160.6 -0.7 -0.5 27.1 71 87 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.811 122.1 35.1 -51.1 -38.3 -3.8 0.7 29.1 72 88 A R T 3 S- 0 0 83 2,-0.5 40,-0.2 37,-0.0 3,-0.1 0.356 118.9 -98.7-107.2 24.0 -2.8 4.3 29.4 73 89 A G S < S+ 0 0 1 -3,-2.1 2,-0.3 -6,-0.2 36,-0.2 0.509 100.6 37.7 83.2 -1.0 -1.1 4.8 26.0 74 90 A T S S- 0 0 4 34,-0.1 -2,-0.5 -6,-0.1 -1,-0.2 -0.947 96.7 -74.3-166.4 171.3 2.4 4.4 27.3 75 91 A S > - 0 0 18 -2,-0.3 4,-1.8 1,-0.1 3,-0.3 -0.433 33.1-124.9 -77.4 154.4 4.4 2.3 29.9 76 92 A S H > S+ 0 0 74 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.797 112.1 62.3 -68.8 -23.2 4.1 3.0 33.6 77 93 A A H > S+ 0 0 35 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.911 103.6 46.9 -66.4 -41.8 7.9 3.3 33.6 78 94 A A H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.893 108.8 55.8 -65.5 -41.7 7.7 6.3 31.2 79 95 A I H X S+ 0 0 7 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.940 106.5 50.5 -56.9 -43.0 5.0 7.8 33.4 80 96 A R H X S+ 0 0 151 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.817 107.7 54.5 -65.5 -28.9 7.4 7.6 36.4 81 97 A E H X S+ 0 0 59 -4,-1.3 4,-1.4 -3,-0.2 -2,-0.2 0.970 111.6 41.4 -68.4 -54.4 10.2 9.3 34.4 82 98 A M H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 3,-0.4 0.907 113.8 53.1 -61.2 -41.2 8.1 12.4 33.5 83 99 A L H X S+ 0 0 24 -4,-2.4 4,-2.0 1,-0.3 -1,-0.2 0.887 107.8 53.2 -59.8 -39.3 6.6 12.6 37.0 84 100 A G H X S+ 0 0 25 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.3 0.775 105.0 53.8 -67.2 -28.8 10.1 12.5 38.3 85 101 A L H X S+ 0 0 6 -4,-1.4 4,-2.0 -3,-0.4 -1,-0.2 0.880 107.6 50.1 -74.4 -36.7 11.0 15.5 36.0 86 102 A F H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.899 111.2 49.7 -65.9 -39.6 8.1 17.5 37.5 87 103 A Q H X S+ 0 0 99 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.920 110.1 50.7 -64.4 -41.9 9.3 16.7 41.0 88 104 A Q H X S+ 0 0 54 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.838 108.0 51.9 -64.4 -39.0 12.9 17.7 40.1 89 105 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 7,-0.2 0.919 111.0 48.8 -62.7 -43.2 11.7 21.1 38.7 90 106 A N H < S+ 0 0 47 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.827 114.4 45.7 -64.6 -37.3 9.8 21.7 41.9 91 107 A T H < S+ 0 0 106 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.960 119.8 37.6 -71.5 -53.3 12.8 20.8 44.0 92 108 A K H < S+ 0 0 41 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.903 135.4 17.9 -66.2 -44.2 15.4 22.8 42.0 93 109 A a >< + 0 0 5 -4,-2.7 3,-2.3 -5,-0.3 -1,-0.2 -0.515 60.2 167.7-134.4 72.8 13.2 25.8 41.3 94 110 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.739 83.1 57.2 -53.7 -26.9 10.0 26.1 43.5 95 111 A D T 3 S+ 0 0 123 -3,-0.1 2,-0.1 2,-0.1 -5,-0.1 0.602 86.3 103.5 -81.8 -13.5 9.5 29.6 42.2 96 112 A A < - 0 0 6 -3,-2.3 2,-0.4 -7,-0.2 -78,-0.2 -0.386 69.4-129.7 -75.5 148.1 9.4 28.6 38.5 97 113 A T E -c 18 0A 16 -80,-2.6 -78,-2.3 -2,-0.1 2,-0.3 -0.791 28.1-140.8 -92.7 136.8 6.2 28.4 36.5 98 114 A L E +cd 19 125A 3 26,-2.5 28,-1.9 -2,-0.4 29,-0.6 -0.762 21.4 178.4-104.9 147.8 5.8 25.0 34.7 99 115 A I E -cd 20 127A 0 -80,-2.2 -78,-2.1 -2,-0.3 2,-0.3 -0.965 9.1-170.6-139.4 153.1 4.5 24.3 31.2 100 116 A A E +cd 21 128A 0 27,-1.8 29,-1.9 -2,-0.3 2,-0.3 -0.935 9.9 174.6-144.2 166.9 4.3 21.0 29.4 101 117 A G E -cd 22 129A 0 -80,-1.5 -78,-2.0 -2,-0.3 2,-0.3 -0.981 4.5-171.8-166.1 162.7 3.5 19.3 26.1 102 118 A G E -cd 23 130A 0 27,-1.4 29,-2.2 -2,-0.3 2,-0.4 -0.985 13.7-142.9-160.5 153.1 3.5 16.0 24.3 103 119 A Y E > - d 0 131A 17 -80,-1.8 3,-2.7 -2,-0.3 2,-0.2 -0.986 65.0 -42.7-124.7 131.9 3.0 14.5 20.8 104 120 A S T >> S+ 0 0 13 27,-2.5 4,-1.4 -2,-0.4 3,-0.9 -0.311 140.8 9.6 53.5-112.7 1.3 11.2 20.0 105 121 A Q H 3> S+ 0 0 0 1,-0.2 4,-2.4 -2,-0.2 -1,-0.3 0.866 132.4 59.3 -63.3 -29.5 2.4 8.7 22.6 106 122 A G H <> S+ 0 0 0 -3,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.749 99.7 55.2 -67.5 -25.7 4.0 11.7 24.3 107 123 A A H <> S+ 0 0 0 -3,-0.9 4,-2.3 24,-0.2 -1,-0.2 0.859 109.4 46.4 -73.9 -38.3 0.6 13.3 24.6 108 124 A A H X S+ 0 0 3 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.903 113.8 49.6 -68.4 -40.4 -0.7 10.2 26.4 109 125 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 -36,-0.2 5,-0.3 0.925 110.8 49.1 -64.2 -43.1 2.4 10.3 28.6 110 126 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.930 113.0 47.2 -62.8 -45.2 1.9 14.0 29.4 111 127 A A H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.912 113.7 47.7 -62.7 -43.7 -1.8 13.4 30.3 112 128 A A H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.922 112.9 46.8 -64.5 -48.9 -1.0 10.3 32.5 113 129 A S H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.894 113.8 48.4 -61.7 -41.9 1.9 12.0 34.4 114 130 A I H < S+ 0 0 0 -4,-2.1 3,-0.5 -5,-0.3 -1,-0.2 0.891 109.2 52.4 -66.6 -40.5 -0.2 15.2 35.0 115 131 A E H < S+ 0 0 57 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.934 114.4 44.6 -58.7 -44.8 -3.2 13.2 36.2 116 132 A D H < S+ 0 0 76 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.566 90.0 113.1 -76.2 -16.4 -0.8 11.4 38.7 117 133 A L S < S- 0 0 7 -4,-1.0 2,-0.2 -3,-0.5 -3,-0.0 -0.195 80.3 -97.2 -60.8 152.4 1.1 14.5 39.9 118 134 A D >> - 0 0 100 1,-0.1 4,-2.4 4,-0.0 3,-0.6 -0.503 37.9-122.7 -65.6 133.9 0.8 15.8 43.5 119 135 A S H 3> S+ 0 0 66 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.757 108.3 61.4 -54.2 -29.3 -1.8 18.6 43.3 120 136 A A H 3> S+ 0 0 59 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.937 111.8 37.4 -64.6 -44.9 0.7 21.1 44.7 121 137 A I H X4 S+ 0 0 10 -3,-0.6 3,-1.5 1,-0.2 4,-0.3 0.923 112.5 57.4 -72.2 -43.0 3.0 20.7 41.8 122 138 A R H >< S+ 0 0 37 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.756 98.7 63.2 -58.4 -28.1 0.2 20.2 39.2 123 139 A D H 3< S+ 0 0 108 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.827 95.7 58.1 -67.0 -32.0 -1.1 23.6 40.3 124 140 A K T << S+ 0 0 66 -3,-1.5 -26,-2.5 -4,-0.6 2,-1.3 0.503 79.2 99.8 -75.4 -7.9 2.1 25.2 39.1 125 141 A I E < -d 98 0A 0 -3,-1.1 -26,-0.2 -4,-0.3 -1,-0.1 -0.699 53.1-174.1 -84.6 95.1 1.6 23.9 35.5 126 142 A A E - 0 0 5 -28,-1.9 2,-0.3 -2,-1.3 -27,-0.2 0.756 62.0 -7.1 -62.2 -29.4 0.2 27.0 33.8 127 143 A G E -d 99 0A 0 -29,-0.6 -27,-1.8 -3,-0.1 2,-0.4 -0.987 53.8-157.5-165.5 156.1 -0.6 25.3 30.5 128 144 A T E -de 100 151A 0 22,-2.4 24,-2.3 -2,-0.3 2,-0.4 -0.996 7.3-159.4-143.0 135.2 -0.2 22.1 28.5 129 145 A V E -de 101 152A 0 -29,-1.9 -27,-1.4 -2,-0.4 2,-0.4 -0.943 8.4-169.4-115.6 136.4 -0.3 21.6 24.8 130 146 A L E -de 102 153A 0 22,-2.7 24,-3.2 -2,-0.4 2,-0.4 -0.987 3.4-164.3-128.5 135.9 -1.0 18.2 23.2 131 147 A F E S-de 103 154A 0 -29,-2.2 -27,-2.5 -2,-0.4 -24,-0.2 -0.984 75.7 -2.2-119.9 136.0 -0.7 17.2 19.5 132 148 A G S S- 0 0 0 22,-2.6 2,-0.7 -2,-0.4 -25,-0.2 0.950 83.4-156.1 51.5 47.7 -2.2 14.1 18.0 133 149 A Y > - 0 0 0 21,-0.4 3,-2.0 -3,-0.2 4,-0.3 -0.467 9.6-159.7 -60.0 106.6 -3.5 13.2 21.4 134 150 A T T 3 S+ 0 0 6 -30,-0.8 4,-0.2 -2,-0.7 3,-0.2 0.722 92.8 45.9 -63.6 -25.3 -3.9 9.4 21.2 135 151 A K T 3> S+ 0 0 36 -31,-0.2 4,-2.9 1,-0.1 6,-0.4 0.113 79.1 117.3-103.6 21.3 -6.3 9.4 24.1 136 152 A N T <4>S+ 0 0 36 -3,-2.0 5,-2.9 25,-0.4 6,-0.3 0.950 80.8 36.6 -52.6 -58.3 -8.3 12.3 22.7 137 153 A L T >45S+ 0 0 83 24,-0.3 3,-1.7 -4,-0.3 -1,-0.2 0.945 118.4 50.3 -61.4 -50.1 -11.6 10.5 22.3 138 154 A Q T 345S+ 0 0 97 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.871 115.4 41.5 -57.6 -43.1 -11.2 8.4 25.5 139 155 A N T ><5S- 0 0 51 -4,-2.9 3,-1.5 3,-0.1 -1,-0.3 0.153 112.3-118.0 -92.6 16.5 -10.4 11.3 27.7 140 156 A R T < 5S- 0 0 207 -3,-1.7 -3,-0.2 1,-0.3 -4,-0.1 0.808 72.4 -54.2 51.6 34.0 -13.1 13.5 26.1 141 157 A G T 3 - 0 0 0 3,-0.4 3,-1.8 -2,-0.2 -31,-0.1 -0.955 46.8-109.7-109.7 126.1 -6.3 15.7 30.9 144 160 A P T 3 S+ 0 0 26 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 -0.296 98.9 6.1 -57.2 133.5 -7.7 14.0 34.0 145 161 A N T 3 S+ 0 0 99 1,-0.2 0, 0.0 -29,-0.1 0, 0.0 0.525 108.6 104.1 72.0 9.8 -7.6 16.2 37.1 146 162 A Y S < S- 0 0 1 -3,-1.8 -3,-0.4 -35,-0.0 -1,-0.2 -0.971 79.5 -99.5-125.3 138.7 -6.3 19.2 35.2 147 163 A P > - 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