==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-MAY-00 1F2C . COMPND 2 MOLECULE: CRUZAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR L.S.BRINEN,E.HANSELL,W.R.ROUSH,J.H.MCKERROW,R.J.FLETTERICK . 215 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9243.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 19.5 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 15 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 1 0 0 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 0 109 0, 0.0 126,-0.1 0, 0.0 127,-0.0 0.000 360.0 360.0 360.0 158.5 23.3 -14.0 -1.5 2 2 A P - 0 0 71 0, 0.0 169,-0.1 0, 0.0 3,-0.1 -0.308 360.0-123.2 -61.5 146.9 24.6 -16.5 1.2 3 3 A A S S+ 0 0 61 1,-0.2 168,-3.1 167,-0.1 169,-0.4 0.813 90.9 13.6 -62.8 -32.7 23.1 -20.0 1.0 4 4 A A E -A 170 0A 55 166,-0.2 2,-0.3 167,-0.1 166,-0.2 -0.998 61.9-179.6-149.2 143.3 21.7 -19.8 4.5 5 5 A V E +A 169 0A 24 164,-2.4 164,-1.9 -2,-0.3 2,-0.2 -0.996 5.5 176.3-142.3 140.7 21.2 -17.2 7.2 6 6 A D E >> -A 168 0A 50 -2,-0.3 3,-1.0 162,-0.2 4,-0.6 -0.756 9.0-170.7-148.3 97.4 19.8 -17.4 10.8 7 7 A W T 34>S+ 0 0 12 160,-2.7 5,-2.1 1,-0.2 6,-0.4 0.673 84.4 67.5 -63.2 -18.3 19.9 -14.2 12.8 8 8 A R T >45S+ 0 0 92 159,-0.3 3,-1.5 1,-0.2 -1,-0.2 0.879 96.3 55.5 -67.8 -38.2 18.9 -16.0 16.0 9 9 A A T <45S+ 0 0 85 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.746 104.5 53.0 -65.4 -25.9 22.3 -17.8 15.9 10 10 A R T 3<5S- 0 0 182 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.2 0.300 117.3-112.6 -94.0 9.3 24.1 -14.4 15.8 11 11 A G T < 5S+ 0 0 37 -3,-1.5 -3,-0.2 1,-0.1 34,-0.1 0.701 81.9 123.2 68.4 25.4 22.2 -13.2 18.9 12 12 A A < + 0 0 0 -5,-2.1 2,-0.4 2,-0.1 27,-0.2 0.449 55.4 76.3 -95.0 -0.4 20.2 -10.5 17.1 13 13 A V - 0 0 18 -6,-0.4 3,-0.1 -5,-0.2 -2,-0.1 -0.934 69.5-139.4-120.4 131.7 16.7 -11.9 18.0 14 14 A T - 0 0 7 -2,-0.4 3,-0.1 18,-0.2 -2,-0.1 -0.185 43.9 -70.2 -74.9 175.5 14.9 -11.6 21.4 15 15 A A - 0 0 70 1,-0.1 2,-0.2 -2,-0.0 -1,-0.2 -0.204 57.1 -92.1 -66.1 155.0 12.9 -14.3 23.0 16 16 A V - 0 0 23 175,-0.2 170,-0.2 -3,-0.1 167,-0.1 -0.525 50.8-155.9 -69.8 131.9 9.6 -15.5 21.6 17 17 A K - 0 0 21 165,-0.4 168,-2.2 -2,-0.2 2,-0.4 -0.294 11.8-119.4-102.1-172.6 6.7 -13.6 23.2 18 18 A D B -I 184 0B 87 166,-0.2 166,-0.2 1,-0.1 76,-0.1 -0.943 14.7-175.2-137.3 112.6 3.0 -14.0 23.9 19 19 A Q > - 0 0 17 164,-2.3 3,-0.8 -2,-0.4 5,-0.1 0.712 31.6-164.6 -78.1 -17.1 0.3 -11.8 22.5 20 20 A G T 3 - 0 0 23 163,-0.3 -1,-0.2 1,-0.2 75,-0.2 -0.416 58.2 -20.7 70.3-146.3 -2.4 -13.6 24.4 21 21 A Q T 3 S+ 0 0 162 73,-2.5 2,-0.4 -2,-0.1 -1,-0.2 0.120 114.0 99.7 -85.8 21.7 -6.1 -13.1 23.5 22 22 A a S < S- 0 0 2 -3,-0.8 2,-1.8 72,-0.1 3,-0.1 -0.911 74.8-134.2-112.7 133.3 -5.3 -9.8 21.8 23 23 A G B +j 64 0C 29 40,-1.5 42,-0.5 -2,-0.4 3,-0.4 -0.282 64.3 128.3 -81.0 53.9 -4.9 -9.5 18.0 24 24 A S >> + 0 0 0 -2,-1.8 4,-1.5 1,-0.2 3,-1.5 0.141 20.4 123.1 -95.1 17.8 -1.8 -7.4 18.5 25 25 A C H 3> + 0 0 16 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.833 69.5 60.8 -47.8 -38.7 0.3 -9.5 16.1 26 26 A W H 3> S+ 0 0 2 -3,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.850 104.0 48.9 -58.9 -37.8 1.1 -6.4 14.1 27 27 A A H <> S+ 0 0 0 -3,-1.5 4,-2.7 2,-0.2 5,-0.3 0.858 110.4 50.1 -71.6 -37.8 2.7 -4.8 17.1 28 28 A F H X S+ 0 0 18 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.870 111.3 49.8 -68.7 -35.8 4.9 -7.8 17.8 29 29 A S H X S+ 0 0 2 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.949 115.8 41.9 -66.1 -49.5 6.0 -7.9 14.2 30 30 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.941 118.8 43.2 -63.2 -52.5 6.9 -4.2 14.1 31 31 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.875 110.6 56.2 -63.4 -39.7 8.6 -4.2 17.6 32 32 A G H X S+ 0 0 4 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.906 108.8 47.9 -58.9 -41.4 10.4 -7.5 16.9 33 33 A N H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.894 111.0 50.5 -65.7 -42.2 11.9 -5.9 13.8 34 34 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.867 106.7 54.8 -64.1 -39.0 12.9 -2.8 15.7 35 35 A E H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 11,-0.3 0.898 112.8 42.9 -61.0 -42.6 14.6 -4.8 18.5 36 36 A C H X S+ 0 0 1 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.932 114.6 48.8 -69.6 -47.7 16.7 -6.6 15.8 37 37 A Q H X S+ 0 0 22 -4,-2.7 4,-0.7 1,-0.2 178,-0.2 0.835 111.5 50.8 -62.2 -33.2 17.5 -3.4 13.9 38 38 A W H <>S+ 0 0 34 -4,-2.4 5,-0.9 2,-0.2 3,-0.4 0.892 110.7 48.4 -71.5 -41.7 18.5 -1.6 17.1 39 39 A F H >X5S+ 0 0 63 -4,-1.7 3,-2.1 1,-0.2 4,-0.8 0.954 110.2 51.5 -61.4 -49.7 20.8 -4.5 18.1 40 40 A L H 3<5S+ 0 0 62 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.664 99.2 66.1 -62.4 -18.5 22.5 -4.5 14.7 41 41 A A T 3<5S- 0 0 31 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.435 130.6 -87.2 -82.8 -1.5 23.0 -0.7 14.9 42 42 A G T <45S+ 0 0 67 -3,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.760 90.3 116.2 103.6 28.8 25.5 -1.4 17.8 43 43 A H S < + 0 0 0 35,-2.9 4,-0.6 -2,-0.2 35,-0.2 -0.662 31.8 171.7 -90.5 113.3 7.3 -2.4 24.1 50 50 A E H >> S+ 0 0 3 -2,-0.6 4,-2.3 1,-0.2 3,-0.9 0.859 84.6 65.9 -76.0 -36.1 4.5 -3.7 22.0 51 51 A Q H 3> S+ 0 0 1 38,-0.4 4,-2.7 1,-0.3 5,-0.4 0.780 90.3 63.5 -55.5 -32.8 2.0 -2.2 24.5 52 52 A M H 3> S+ 0 0 0 37,-0.3 4,-2.5 2,-0.2 5,-0.4 0.925 109.7 39.7 -58.1 -45.0 3.2 1.2 23.5 53 53 A L H < + 0 0 3 -4,-2.0 3,-1.4 -5,-0.4 5,-0.4 -0.531 44.9 175.0 -73.1 88.5 -0.9 4.0 18.1 58 58 A K T 3 S+ 0 0 172 -2,-1.7 -1,-0.2 1,-0.3 -4,-0.0 0.559 72.2 67.0 -71.9 -13.0 -4.2 5.7 17.2 59 59 A T T 3 S+ 0 0 83 11,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.558 104.4 54.3 -82.5 -9.7 -3.7 5.1 13.4 60 60 A D S < S- 0 0 17 -3,-1.4 6,-0.2 -7,-0.2 5,-0.0 -0.625 89.5-114.4-115.4 177.3 -4.0 1.4 14.2 61 61 A S > - 0 0 80 4,-2.1 3,-2.9 1,-0.3 5,-0.1 -0.091 31.8-142.1-111.4 39.0 -6.7 -0.7 15.9 62 62 A G T > S+ 0 0 12 -5,-0.4 3,-1.2 1,-0.3 -1,-0.3 -0.163 85.0 2.5 46.4-121.6 -5.2 -2.2 19.1 63 63 A a T 3 S+ 0 0 29 1,-0.2 -40,-1.5 33,-0.1 -1,-0.3 0.455 129.4 65.8 -75.3 0.1 -6.4 -5.7 19.7 64 64 A S B < S-j 23 0C 115 -3,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.168 113.7 -90.4-106.7 16.1 -8.4 -5.6 16.5 65 65 A G < - 0 0 20 -3,-1.2 -4,-2.1 -42,-0.5 -1,-0.3 -0.231 42.9-171.7 105.3 169.5 -5.4 -5.3 14.2 66 66 A G - 0 0 28 -6,-0.2 2,-0.4 -5,-0.1 -6,-0.1 -0.970 28.7 -91.7 179.5-177.1 -3.1 -2.9 12.4 67 67 A L > - 0 0 79 -2,-0.3 4,-1.9 1,-0.1 3,-0.3 -0.957 18.5-138.9-121.7 139.4 -0.3 -2.6 9.9 68 68 A M H > S+ 0 0 9 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.876 106.5 55.3 -61.9 -37.2 3.4 -2.7 10.6 69 69 A N H > S+ 0 0 16 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.823 106.8 49.7 -64.8 -34.5 4.0 0.2 8.2 70 70 A N H > S+ 0 0 48 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.892 110.5 51.4 -68.9 -41.8 1.5 2.4 10.1 71 71 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.903 108.5 50.5 -61.4 -43.4 3.3 1.5 13.3 72 72 A F H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.910 113.7 45.9 -61.4 -43.0 6.6 2.5 11.8 73 73 A E H X S+ 0 0 84 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.848 109.7 53.1 -69.2 -37.8 5.2 5.8 10.7 74 74 A W H X>S+ 0 0 24 -4,-2.5 4,-2.5 2,-0.2 5,-1.3 0.904 107.3 52.9 -64.2 -43.3 3.4 6.5 14.0 75 75 A I H X5S+ 0 0 0 -4,-2.2 6,-2.8 3,-0.2 4,-0.8 0.951 117.0 37.5 -57.2 -49.5 6.7 6.0 15.9 76 76 A V H <5S+ 0 0 46 -4,-1.7 4,-0.3 4,-0.2 -2,-0.2 0.928 126.6 33.5 -70.7 -47.3 8.5 8.5 13.7 77 77 A Q H <5S+ 0 0 138 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.801 132.2 24.4 -82.3 -31.8 5.8 11.1 13.2 78 78 A E H <5S+ 0 0 127 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.719 127.3 39.4-106.4 -27.4 3.9 11.0 16.5 79 78AA N S >< -K 48 0D 20 22,-2.4 4,-1.2 -37,-0.3 3,-0.3 -0.465 23.8-124.7 -77.8 153.4 11.5 -0.5 26.7 86 83 A E T 4 S+ 0 0 44 -39,-2.6 3,-0.3 1,-0.2 -38,-0.2 0.895 109.9 58.2 -66.2 -39.7 9.3 -3.5 27.7 87 84 A D T 4 S+ 0 0 147 -40,-0.5 -1,-0.2 1,-0.2 -39,-0.1 0.817 110.9 42.2 -61.0 -30.7 10.3 -3.2 31.3 88 85 A S T 4 S+ 0 0 24 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.671 129.0 28.2 -89.5 -19.4 9.1 0.4 31.5 89 86 A Y S < S- 0 0 12 -4,-1.2 -38,-0.4 -3,-0.3 -37,-0.3 -0.596 86.9-164.2-141.4 74.5 5.9 -0.3 29.5 90 87 A P - 0 0 77 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.138 29.8 -97.6 -60.8 152.4 4.9 -4.0 30.1 91 88 A Y + 0 0 47 1,-0.1 3,-0.0 2,-0.0 -42,-0.0 -0.579 48.7 162.3 -72.4 129.8 2.4 -5.9 27.9 92 89 A A + 0 0 63 -2,-0.3 3,-0.3 -3,-0.1 5,-0.2 0.107 49.3 88.7-138.6 22.4 -1.0 -5.9 29.6 93 89AA S > + 0 0 0 1,-0.2 3,-1.5 5,-0.1 5,-0.1 0.236 46.9 115.1-106.2 13.9 -3.4 -6.8 26.8 94 89BA G T 3 S+ 0 0 28 1,-0.3 -73,-2.5 -74,-0.1 -1,-0.2 0.648 76.1 53.0 -58.1 -18.8 -3.2 -10.6 27.2 95 89CA E T 3 S- 0 0 175 2,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.670 123.2 -99.8 -89.3 -22.9 -6.9 -10.7 28.2 96 90 A G S < S+ 0 0 28 -3,-1.5 2,-0.6 1,-0.2 -33,-0.1 0.264 93.8 101.2 119.9 -7.5 -8.1 -8.8 25.1 97 91 A I - 0 0 137 -5,-0.2 -2,-0.3 -75,-0.1 -1,-0.2 -0.940 59.5-148.7-115.8 117.5 -8.5 -5.4 26.7 98 92 A S - 0 0 39 -2,-0.6 -5,-0.1 -44,-0.1 3,-0.1 -0.651 16.6-130.6 -84.6 132.4 -5.8 -2.7 26.1 99 93 A P - 0 0 47 0, 0.0 3,-0.1 0, 0.0 -7,-0.1 -0.353 39.7 -78.1 -76.0 163.0 -5.3 -0.2 28.9 100 94 A P - 0 0 114 0, 0.0 2,-0.5 0, 0.0 -44,-0.1 -0.088 53.3 -93.5 -58.7 160.7 -5.2 3.6 28.1 101 95 A b - 0 0 49 -46,-0.4 2,-0.5 -3,-0.1 -49,-0.1 -0.680 38.7-170.2 -82.2 120.5 -2.1 5.2 26.6 102 96 A T - 0 0 73 -2,-0.5 -46,-0.1 1,-0.1 -47,-0.1 -0.948 9.8-170.3-112.4 127.9 0.4 6.7 29.2 103 97 A T + 0 0 98 -2,-0.5 2,-0.3 3,-0.0 3,-0.2 0.472 63.3 63.7 -95.2 -3.3 3.2 8.9 27.8 104 98 A S S S+ 0 0 96 1,-0.2 3,-0.1 3,-0.0 -2,-0.0 -0.850 80.0 42.0-125.0 160.8 5.2 9.2 31.0 105 99 A G S S+ 0 0 77 1,-0.3 2,-0.3 -2,-0.3 -1,-0.2 0.689 88.7 119.0 81.9 19.2 7.2 7.1 33.4 106 100 A H - 0 0 40 -3,-0.2 2,-0.4 -17,-0.1 -1,-0.3 -0.733 59.1-130.6-114.7 164.7 8.6 5.1 30.5 107 101 A T - 0 0 82 -22,-0.3 -22,-2.4 -2,-0.3 2,-0.6 -0.959 19.1-126.5-118.6 131.1 12.2 4.6 29.3 108 102 A V E +L 84 0E 79 -2,-0.4 -24,-0.3 -24,-0.2 3,-0.1 -0.682 31.2 172.6 -76.8 117.5 13.3 5.1 25.6 109 103 A G E + 0 0 12 -26,-2.4 2,-0.3 -2,-0.6 -25,-0.2 0.750 62.2 3.1 -96.5 -29.0 15.0 1.9 24.5 110 105 A A E -L 83 0E 0 -27,-1.9 -27,-2.5 2,-0.0 2,-0.4 -0.979 57.0-149.0-153.3 160.9 15.4 2.6 20.8 111 106 A T E -L 82 0E 68 -2,-0.3 2,-0.3 -29,-0.2 -29,-0.2 -1.000 11.2-165.9-137.8 133.4 14.9 5.3 18.2 112 107 A I - 0 0 6 -31,-2.1 102,-0.2 -2,-0.4 3,-0.1 -0.850 15.3-156.5-116.8 155.8 14.1 4.9 14.5 113 108 A T - 0 0 104 100,-3.1 2,-0.3 -2,-0.3 101,-0.2 0.561 67.2 -55.2-105.7 -13.5 14.3 7.5 11.7 114 109 A G E -B 213 0A 17 99,-1.1 99,-2.5 -33,-0.1 2,-0.3 -0.956 56.5 -97.2 169.6-153.6 11.9 5.8 9.3 115 110 A H E -B 212 0A 41 97,-0.3 2,-0.4 -2,-0.3 97,-0.2 -0.982 15.1-136.9-156.5 158.8 11.3 2.6 7.5 116 111 A V E -B 211 0A 55 95,-2.7 95,-2.1 -2,-0.3 2,-0.5 -0.969 12.6-144.8-123.2 137.8 11.8 0.9 4.1 117 112 A E E -B 210 0A 119 -2,-0.4 93,-0.3 93,-0.2 -2,-0.0 -0.905 21.5-139.6-102.7 127.5 9.3 -1.2 2.2 118 113 A L - 0 0 22 91,-2.7 91,-0.4 -2,-0.5 7,-0.1 -0.467 23.4 -93.8 -87.0 157.8 10.8 -4.1 0.3 119 114 A P - 0 0 65 0, 0.0 2,-2.2 0, 0.0 -1,-0.1 -0.297 39.1-106.7 -66.3 153.6 9.9 -5.3 -3.2 120 115 A Q S S+ 0 0 113 87,-0.1 2,-0.3 4,-0.1 87,-0.1 -0.522 87.3 105.9 -82.5 70.9 7.3 -8.1 -3.5 121 116 A D > - 0 0 72 -2,-2.2 4,-1.7 85,-0.2 5,-0.2 -0.920 62.4-148.1-153.0 122.7 10.1 -10.6 -4.5 122 117 A E H > S+ 0 0 17 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.784 97.7 53.3 -64.2 -34.3 11.4 -13.3 -2.3 123 118 A A H > S+ 0 0 64 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.859 112.0 45.9 -70.4 -35.7 15.0 -13.4 -3.7 124 119 A Q H > S+ 0 0 107 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.802 112.2 50.3 -76.0 -31.2 15.3 -9.6 -3.1 125 120 A I H X S+ 0 0 1 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.906 111.7 48.9 -70.3 -42.1 13.8 -9.8 0.4 126 121 A A H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.881 110.2 51.4 -63.3 -38.9 16.3 -12.6 1.2 127 122 A A H X S+ 0 0 43 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.901 112.1 46.0 -65.0 -41.7 19.2 -10.5 -0.2 128 123 A W H X S+ 0 0 57 -4,-1.8 4,-3.6 1,-0.2 3,-0.4 0.900 112.7 50.0 -67.9 -42.8 18.2 -7.6 2.0 129 124 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.880 104.5 58.7 -64.2 -38.5 17.8 -9.8 5.1 130 125 A A H < S+ 0 0 20 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.810 120.8 27.2 -61.5 -29.7 21.2 -11.3 4.5 131 126 A V H < S+ 0 0 112 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.846 133.6 28.5-100.3 -42.7 22.8 -7.9 4.7 132 127 A N H < S- 0 0 66 -4,-3.6 -3,-0.2 1,-0.3 -2,-0.2 0.527 101.7-120.1-102.0 -10.0 20.5 -5.8 6.9 133 128 A G < + 0 0 0 -4,-1.9 -1,-0.3 -5,-0.4 -2,-0.1 -0.472 57.9 4.9 106.6-175.1 18.8 -8.3 9.3 134 129 A P - 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