==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-AUG-02 1ME4 . COMPND 2 MOLECULE: CRUZIPAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR L.S.BRINEN,L.HUANG,J.A.ELLMAN . 215 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9283.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 59.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.4 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 . 10 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 18.1 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 . 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 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 0 102 0, 0.0 126,-0.1 0, 0.0 127,-0.0 0.000 360.0 360.0 360.0 158.1 -4.8 -17.5 15.2 2 2 A P - 0 0 69 0, 0.0 169,-0.1 0, 0.0 3,-0.1 -0.238 360.0-117.5 -56.6 154.6 -2.0 -18.2 17.7 3 3 A A S S+ 0 0 61 1,-0.2 168,-3.1 167,-0.1 169,-0.5 0.822 93.5 9.3 -63.3 -34.6 -2.4 -16.6 21.1 4 4 A A E -A 170 0A 51 166,-0.2 2,-0.3 167,-0.2 166,-0.2 -0.990 59.4-174.7-149.8 147.4 0.8 -14.5 20.6 5 5 A V E +A 169 0A 8 164,-2.3 164,-2.0 -2,-0.3 2,-0.3 -0.990 3.6 177.8-140.6 134.9 3.3 -13.7 17.9 6 6 A D E > -A 168 0A 52 -2,-0.3 3,-1.2 162,-0.2 162,-0.2 -0.832 5.4-175.5-140.1 98.0 6.6 -11.8 18.1 7 7 A W G > >S+ 0 0 13 160,-2.4 3,-1.4 -2,-0.3 5,-1.3 0.682 75.9 76.7 -67.4 -17.4 8.6 -11.6 14.8 8 8 A R G 3 5S+ 0 0 89 159,-0.3 3,-0.5 1,-0.3 -1,-0.2 0.810 96.8 46.5 -60.4 -32.5 11.5 -9.8 16.5 9 9 A A G < 5S+ 0 0 87 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.382 103.7 65.7 -89.9 2.0 12.7 -13.1 18.1 10 10 A R T < 5S- 0 0 138 -3,-1.4 -1,-0.2 -4,-0.1 -2,-0.1 -0.052 112.8-102.3-120.7 24.2 12.3 -15.0 14.8 11 11 A G T 5S+ 0 0 41 -3,-0.5 -3,-0.1 2,-0.1 34,-0.1 0.547 93.2 106.8 74.9 8.8 15.0 -13.4 12.6 12 12 A A < + 0 0 0 -5,-1.3 2,-0.4 2,-0.1 27,-0.2 0.495 58.3 71.7-102.3 -5.8 12.6 -11.3 10.6 13 13 A V - 0 0 22 -6,-0.4 -2,-0.1 -5,-0.2 3,-0.1 -0.953 63.9-145.0-123.8 128.7 13.1 -7.6 11.9 14 14 A T - 0 0 8 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.238 44.1 -66.8 -79.1 175.3 16.1 -5.3 11.3 15 15 A A - 0 0 71 1,-0.1 -1,-0.2 -2,-0.0 2,-0.2 -0.174 58.0 -92.0 -60.0 156.1 17.4 -2.8 13.8 16 16 A V - 0 0 24 175,-0.2 170,-0.2 -3,-0.1 2,-0.2 -0.438 48.0-153.6 -67.3 136.5 15.4 0.3 15.0 17 17 A K - 0 0 49 165,-0.4 168,-2.1 -2,-0.2 2,-0.4 -0.482 14.3-126.6-107.1 177.9 16.2 3.5 12.9 18 18 A D B -I 184 0B 84 166,-0.2 166,-0.2 -2,-0.2 165,-0.0 -0.946 9.7-168.7-129.2 107.7 16.1 7.2 13.3 19 19 A Q > - 0 0 19 164,-2.6 3,-1.0 -2,-0.4 5,-0.1 0.701 30.9-165.2 -69.0 -17.3 14.1 9.3 10.6 20 20 A G T 3 - 0 0 30 163,-0.3 -1,-0.2 1,-0.2 75,-0.2 -0.357 55.0 -23.3 66.7-146.2 15.7 12.5 12.0 21 21 A Q T 3 S+ 0 0 161 73,-2.5 2,-0.3 2,-0.1 -1,-0.2 0.440 110.8 102.0 -83.4 2.8 14.2 15.9 11.0 22 22 A a S < S- 0 0 3 -3,-1.0 2,-1.7 71,-0.1 3,-0.2 -0.629 76.4-128.1 -87.5 142.8 12.5 14.6 7.8 23 23 A G S S+ 0 0 29 40,-1.5 42,-0.4 -2,-0.3 3,-0.3 -0.342 70.1 124.3 -81.6 58.1 8.8 13.7 7.4 24 24 A S >> + 0 0 0 -2,-1.7 4,-1.9 1,-0.2 3,-1.3 0.157 18.0 119.0-110.4 16.1 9.8 10.3 6.1 25 25 A C H 3> S+ 0 0 19 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.867 73.9 61.2 -51.6 -38.6 7.9 7.9 8.4 26 26 A W H 3> S+ 0 0 2 -3,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.831 105.3 46.9 -54.6 -40.1 6.0 6.6 5.4 27 27 A A H <> S+ 0 0 0 -3,-1.3 4,-2.7 2,-0.2 5,-0.3 0.869 110.7 50.7 -73.1 -39.8 9.3 5.4 3.8 28 28 A F H X S+ 0 0 18 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.916 112.8 48.4 -62.7 -40.8 10.5 3.8 7.1 29 29 A S H X S+ 0 0 2 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.958 115.0 43.2 -62.7 -51.8 7.1 1.9 7.4 30 30 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.931 117.6 44.6 -61.7 -48.8 7.2 0.7 3.7 31 31 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.904 110.5 53.9 -67.0 -40.6 10.9 -0.3 3.7 32 32 A G H X S+ 0 0 4 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.933 109.9 49.3 -58.5 -43.1 10.6 -2.1 7.2 33 33 A N H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.940 110.9 48.7 -59.0 -47.3 7.7 -4.1 5.8 34 34 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.918 108.1 54.7 -60.0 -43.6 9.7 -5.0 2.6 35 35 A E H X S+ 0 0 2 -4,-2.8 4,-1.9 1,-0.2 11,-0.3 0.924 112.6 43.2 -52.5 -49.1 12.7 -6.1 4.7 36 36 A C H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.920 114.2 49.0 -67.6 -44.8 10.5 -8.5 6.8 37 37 A Q H X S+ 0 0 20 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.880 109.2 53.4 -64.5 -36.8 8.6 -9.9 3.8 38 38 A W H ><>S+ 0 0 37 -4,-2.7 5,-1.3 -5,-0.2 3,-0.6 0.949 110.9 46.3 -63.4 -45.8 11.9 -10.5 1.9 39 39 A F H ><5S+ 0 0 62 -4,-1.9 3,-2.1 1,-0.2 4,-0.4 0.932 110.0 53.1 -60.8 -46.2 13.3 -12.5 4.8 40 40 A L H 3<5S+ 0 0 62 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.689 98.5 65.3 -71.7 -15.1 10.1 -14.5 5.2 41 41 A A T <<5S- 0 0 44 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.395 129.7 -92.5 -79.6 2.1 10.2 -15.5 1.5 42 42 A G T < 5S+ 0 0 69 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.2 0.692 88.2 121.2 94.0 20.9 13.4 -17.4 2.3 43 43 A H S + 0 0 0 35,-2.4 4,-0.7 -2,-0.2 35,-0.2 -0.674 27.9 173.5 -96.9 108.9 17.0 1.9 1.4 50 50 A E H >> S+ 0 0 5 -2,-0.7 4,-2.6 1,-0.2 3,-0.5 0.840 85.5 66.9 -63.8 -34.9 14.5 4.5 2.7 51 51 A Q H 3> S+ 0 0 1 38,-0.5 4,-2.8 1,-0.2 5,-0.5 0.872 90.1 62.5 -59.7 -37.0 16.5 7.1 0.7 52 52 A M H 3> S+ 0 0 0 37,-0.4 4,-1.9 1,-0.2 5,-0.4 0.925 111.6 38.4 -49.7 -50.5 15.5 5.5 -2.6 53 53 A L H < + 0 0 2 -4,-1.8 3,-1.5 -5,-0.4 5,-0.4 -0.671 48.8 177.3 -82.7 93.9 9.4 8.2 -5.5 58 58 A K T 3 S+ 0 0 150 -2,-1.3 -1,-0.2 1,-0.3 -5,-0.0 0.443 71.9 73.8 -83.7 1.2 7.9 11.4 -7.0 59 59 A T T 3 S+ 0 0 76 11,-0.1 -1,-0.3 12,-0.0 2,-0.2 0.493 101.2 50.5 -85.2 -6.9 4.3 10.0 -6.3 60 60 A D S < S- 0 0 13 -3,-1.5 6,-0.2 -7,-0.2 -6,-0.0 -0.607 92.8-114.9-118.1 179.4 5.1 10.9 -2.6 61 61 A S > - 0 0 83 4,-2.3 3,-2.9 1,-0.3 4,-0.2 -0.126 32.0-136.7-121.9 38.6 6.4 14.2 -1.1 62 62 A G G > S- 0 0 10 -5,-0.4 3,-1.0 1,-0.3 -1,-0.3 -0.204 84.0 -1.2 58.9-129.3 9.8 13.5 0.3 63 63 A a G 3 S+ 0 0 25 1,-0.2 -40,-1.5 -9,-0.1 -1,-0.3 0.461 128.8 67.5 -79.1 2.5 10.4 15.1 3.7 64 64 A S G < S- 0 0 116 -3,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.426 114.0 -90.9 -96.0 -4.3 6.9 16.6 3.6 65 65 A G < - 0 0 22 -3,-1.0 -4,-2.3 -42,-0.4 -1,-0.3 -0.532 42.9-167.4 125.3 176.6 5.1 13.2 3.8 66 66 A G - 0 0 29 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.1 -0.975 25.7 -95.3 178.0-178.9 3.7 10.3 1.8 67 67 A L > - 0 0 108 -2,-0.3 4,-2.1 1,-0.1 3,-0.2 -0.970 18.4-138.9-123.4 131.7 1.6 7.1 1.8 68 68 A M H > S+ 0 0 18 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.881 106.1 53.7 -55.4 -41.0 2.9 3.5 2.1 69 69 A N H > S+ 0 0 28 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.885 107.2 50.7 -67.2 -34.9 0.5 2.3 -0.6 70 70 A N H > S+ 0 0 61 -3,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.916 110.4 51.0 -62.1 -42.8 1.8 4.9 -3.0 71 71 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.919 109.1 49.1 -61.7 -46.2 5.4 3.8 -2.3 72 72 A F H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.909 112.9 48.5 -60.4 -39.6 4.6 0.1 -2.9 73 73 A E H X S+ 0 0 64 -4,-2.0 4,-2.9 -5,-0.2 5,-0.3 0.899 109.5 52.1 -67.8 -41.9 2.9 1.0 -6.2 74 74 A W H X>S+ 0 0 22 -4,-2.6 4,-2.6 2,-0.2 5,-1.4 0.916 105.6 55.5 -59.5 -44.6 5.9 3.2 -7.3 75 75 A I H X5S+ 0 0 0 -4,-2.3 6,-2.6 3,-0.2 4,-0.7 0.941 117.9 33.7 -55.3 -48.2 8.4 0.4 -6.6 76 76 A V H <5S+ 0 0 46 -4,-1.6 4,-0.4 4,-0.2 -2,-0.2 0.929 125.8 38.1 -76.2 -44.1 6.5 -2.0 -8.9 77 77 A Q H <5S+ 0 0 121 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.819 133.3 18.3 -80.6 -35.8 5.2 0.4 -11.6 78 78 A E H <5S+ 0 0 129 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.627 126.8 44.6-111.7 -21.6 8.2 2.8 -11.9 79 78AA N S >< -J 48 0C 29 22,-2.4 4,-0.9 -37,-0.2 -37,-0.3 -0.419 25.1-123.9 -65.8 149.1 20.4 -2.0 -0.3 86 83 A E T >4 S+ 0 0 40 -39,-2.3 3,-0.7 1,-0.2 -38,-0.2 0.904 111.6 56.1 -53.8 -46.0 20.9 0.6 2.5 87 84 A D T 34 S+ 0 0 144 -40,-0.4 -1,-0.2 1,-0.3 -39,-0.1 0.860 110.0 43.5 -64.0 -30.9 24.7 0.4 1.9 88 85 A S T 34 S+ 0 0 29 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.574 131.3 23.6 -92.1 -15.5 24.4 1.3 -1.8 89 86 A Y S << S- 0 0 15 -4,-0.9 -38,-0.5 -3,-0.7 -37,-0.4 -0.535 89.0-168.6-148.7 70.9 21.9 4.1 -1.2 90 87 A P - 0 0 73 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.154 35.5 -80.8 -71.6 161.2 22.4 5.2 2.4 91 88 A Y + 0 0 56 1,-0.1 3,-0.0 2,-0.1 -42,-0.0 -0.391 51.1 165.3 -66.7 129.1 20.0 7.6 4.4 92 89 A A + 0 0 55 -2,-0.1 3,-0.2 -3,-0.1 5,-0.2 0.178 54.0 78.2-128.2 8.6 20.7 11.2 3.5 93 89AA S > + 0 0 0 1,-0.1 3,-2.0 3,-0.1 -71,-0.1 0.199 49.1 111.5-113.4 10.0 17.7 13.1 4.8 94 89BA G T 3 S+ 0 0 27 1,-0.3 -73,-2.5 -74,-0.1 -1,-0.1 0.775 76.3 59.3 -60.6 -25.5 18.3 13.4 8.6 95 89CA E T 3 S- 0 0 175 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.560 124.1-101.6 -77.6 -8.0 18.8 17.2 8.3 96 90 A G S < S+ 0 0 24 -3,-2.0 2,-0.3 1,-0.4 -73,-0.2 0.482 87.6 99.6 106.1 4.4 15.2 17.5 6.9 97 91 A I - 0 0 110 -5,-0.2 -1,-0.4 -75,-0.1 -2,-0.2 -0.899 63.9-132.3-118.0 153.5 15.7 17.9 3.1 98 92 A S - 0 0 43 -2,-0.3 3,-0.1 -3,-0.1 -5,-0.1 -0.904 25.5-143.8-102.2 106.5 15.5 15.3 0.3 99 93 A P - 0 0 41 0, 0.0 3,-0.1 0, 0.0 -7,-0.1 -0.209 38.3 -73.7 -67.4 160.7 18.5 15.5 -2.1 100 94 A P - 0 0 113 0, 0.0 -44,-0.1 0, 0.0 -45,-0.1 -0.242 59.5 -94.4 -55.4 141.6 18.0 14.9 -5.8 101 95 A b - 0 0 45 -46,-0.6 2,-0.5 -3,-0.1 -49,-0.1 -0.351 28.9-144.8 -56.7 133.2 17.4 11.3 -6.9 102 96 A T - 0 0 63 -3,-0.1 -1,-0.1 1,-0.1 -47,-0.0 -0.933 11.5-167.2 -99.2 116.7 20.6 9.3 -8.0 103 97 A T + 0 0 126 -2,-0.5 2,-0.3 2,-0.0 -1,-0.1 0.252 65.7 27.6-100.3 12.0 19.5 7.0 -10.9 104 98 A S S S+ 0 0 96 1,-0.1 3,-0.1 3,-0.0 -2,-0.0 -0.958 84.8 67.8-153.3 174.8 22.6 4.7 -11.0 105 99 A G S S+ 0 0 72 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.698 77.9 108.5 82.4 21.3 25.3 3.5 -8.7 106 100 A H - 0 0 40 -3,-0.1 2,-0.4 -17,-0.1 -1,-0.3 -0.839 57.5-137.5-127.1 162.2 23.0 1.3 -6.5 107 101 A T - 0 0 93 -2,-0.3 -22,-2.4 -22,-0.2 2,-0.4 -0.971 24.4-116.1-121.4 128.8 22.6 -2.5 -6.1 108 102 A V E +K 84 0D 74 -2,-0.4 -24,-0.3 -24,-0.2 3,-0.1 -0.550 30.8 174.8 -70.4 126.8 19.2 -4.3 -5.7 109 103 A G E + 0 0 14 -26,-2.6 2,-0.3 -2,-0.4 -25,-0.2 0.624 66.2 2.3-103.6 -20.5 18.7 -6.0 -2.3 110 105 A A E -K 83 0D 1 -27,-1.4 -27,-2.3 2,-0.0 2,-0.3 -0.966 58.7-149.2-156.8 158.6 15.1 -7.2 -2.7 111 106 A T E -K 82 0D 66 -2,-0.3 2,-0.3 -29,-0.2 -29,-0.2 -0.977 8.2-162.7-132.1 150.2 12.2 -7.2 -5.2 112 107 A I - 0 0 6 -31,-2.0 102,-0.2 -2,-0.3 3,-0.1 -0.919 13.6-156.8-125.6 157.7 8.4 -7.1 -4.7 113 108 A T - 0 0 92 100,-2.5 2,-0.3 -2,-0.3 101,-0.2 0.565 67.6 -49.6-106.2 -17.9 5.6 -8.1 -7.1 114 109 A G E -B 213 0A 17 99,-1.1 99,-2.4 -33,-0.1 2,-0.3 -0.956 55.8-104.5 173.4-162.1 2.7 -6.0 -5.6 115 110 A H E -B 212 0A 37 97,-0.3 2,-0.4 -2,-0.3 97,-0.3 -0.969 13.8-138.7-152.0 162.1 0.9 -5.3 -2.3 116 111 A V E -B 211 0A 58 95,-2.5 95,-2.4 -2,-0.3 2,-0.6 -0.971 11.6-140.3-124.5 143.7 -2.3 -6.1 -0.4 117 112 A E E -B 210 0A 126 -2,-0.4 93,-0.3 93,-0.2 -2,-0.0 -0.916 27.9-140.0-101.9 118.4 -4.5 -3.7 1.6 118 113 A L - 0 0 19 91,-2.3 91,-0.4 -2,-0.6 7,-0.1 -0.380 24.2 -88.3 -83.3 157.2 -5.7 -5.5 4.8 119 114 A P - 0 0 61 0, 0.0 2,-1.8 0, 0.0 -1,-0.1 -0.221 35.3-111.4 -62.1 156.0 -9.2 -5.3 6.3 120 115 A Q S S+ 0 0 116 87,-0.1 2,-0.3 4,-0.1 87,-0.1 -0.486 86.5 102.7 -84.5 65.9 -10.2 -2.7 8.9 121 116 A D > - 0 0 59 -2,-1.8 4,-2.3 85,-0.2 5,-0.2 -0.935 64.2-147.7-155.3 119.8 -10.4 -5.3 11.6 122 117 A E H > S+ 0 0 17 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.851 100.0 49.6 -65.2 -40.4 -7.8 -6.0 14.3 123 118 A A H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.907 113.1 48.4 -64.4 -39.6 -8.5 -9.8 14.6 124 119 A Q H > S+ 0 0 103 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.903 111.0 50.0 -68.7 -38.5 -8.3 -10.1 10.8 125 120 A I H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.927 111.4 49.8 -61.7 -46.1 -5.0 -8.1 10.7 126 121 A A H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.911 108.7 51.8 -61.5 -43.4 -3.5 -10.4 13.5 127 122 A A H X S+ 0 0 47 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.899 112.3 45.6 -60.5 -41.0 -4.5 -13.5 11.7 128 123 A W H >X S+ 0 0 63 -4,-1.8 4,-3.1 1,-0.2 3,-0.8 0.930 112.9 50.7 -65.9 -46.6 -2.8 -12.4 8.5 129 124 A L H 3X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.847 101.5 62.1 -60.4 -38.6 0.4 -11.2 10.5 130 125 A A H 3< S+ 0 0 12 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.825 119.9 23.9 -59.9 -30.9 0.7 -14.6 12.3 131 126 A V H << S+ 0 0 113 -4,-0.8 -2,-0.2 -3,-0.8 -1,-0.2 0.825 133.5 32.2-100.1 -46.4 1.2 -16.4 9.0 132 127 A N H < S- 0 0 67 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.562 102.8-124.7-103.1 -9.3 2.6 -13.8 6.5 133 128 A G < + 0 0 0 -4,-1.7 -1,-0.2 -5,-0.4 -2,-0.1 -0.426 54.1 5.4 104.6-175.2 4.6 -11.5 8.8 134 129 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 33,-0.2 -0.075 60.5-148.2 -53.4 145.3 4.9 -7.8 9.8 135 130 A V E -C 166 0A 0 31,-1.6 31,-3.0 76,-0.1 2,-0.3 -0.940 11.9-124.3-123.2 132.2 2.4 -5.3 8.5 136 131 A A E +CD 165 210A 0 74,-2.1 74,-2.6 -2,-0.4 2,-0.3 -0.607 39.9 174.1 -73.8 130.8 2.7 -1.5 7.6 137 132 A V E -CD 164 209A 0 27,-2.2 27,-2.8 -2,-0.3 2,-0.4 -0.980 28.2-135.0-136.6 154.6 0.2 0.6 9.4 138 133 A A E +C 163 0A 14 70,-0.5 70,-0.4 -2,-0.3 2,-0.3 -0.844 28.4 178.0 -99.5 147.2 -0.7 4.3 10.0 139 134 A V E -C 162 0A 0 23,-2.4 22,-2.6 -2,-0.4 23,-1.8 -0.919 40.4-106.9-135.6 164.5 -1.5 5.7 13.4 140 135 A D - 0 0 4 63,-2.0 3,-0.3 20,-0.3 20,-0.2 -0.904 38.6-179.8 -83.4 108.0 -2.4 8.9 15.2 141 136 A A > + 0 0 8 -2,-0.7 3,-1.8 18,-0.2 4,-0.4 0.234 45.9 112.1 -94.6 11.9 0.9 9.5 17.0 142 139 A S T 3 S+ 0 0 64 1,-0.3 3,-0.5 17,-0.3 -1,-0.2 0.832 83.0 42.3 -61.8 -31.3 -0.1 12.7 18.7 143 140 A S T > S+ 0 0 18 13,-0.3 3,-1.6 -3,-0.3 -1,-0.3 0.514 90.6 89.5 -85.8 -5.9 -0.0 11.1 22.2 144 141 A W G X + 0 0 0 -3,-1.8 3,-1.2 1,-0.3 -1,-0.2 0.664 68.5 75.3 -72.8 -14.1 3.2 9.2 21.5 145 142 A M G 3 S+ 0 0 149 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.483 97.8 49.8 -73.9 -1.3 5.4 12.0 22.8 146 143 A T G < S+ 0 0 106 -3,-1.6 -1,-0.2 0, 0.0 2,-0.2 0.383 82.5 119.6-108.7 -3.4 4.3 10.9 26.3 147 144 A Y < + 0 0 15 -3,-1.2 42,-0.5 -4,-0.2 3,-0.1 -0.474 22.5 159.9 -74.8 132.1 5.1 7.2 26.0 148 145 A T - 0 0 131 1,-0.4 2,-0.2 -2,-0.2 -1,-0.1 0.430 59.6 -66.1-123.3 -8.2 7.7 5.7 28.4 149 146 A G S S+ 0 0 30 1,-0.1 -1,-0.4 46,-0.1 2,-0.1 -0.749 86.1 70.4 140.3 176.1 6.9 1.9 28.3 150 147 A G S S- 0 0 28 -2,-0.2 45,-0.7 -3,-0.1 2,-0.7 -0.276 98.7 -39.3 76.6-170.7 4.4 -0.7 29.2 151 148 A V E -e 195 0A 48 43,-0.1 45,-0.2 -2,-0.1 2,-0.1 -0.828 68.4-130.9 -91.3 114.4 1.0 -1.1 27.4 152 149 A M E -e 196 0A 21 43,-2.6 45,-1.0 -2,-0.7 2,-0.3 -0.354 21.8-156.9 -63.7 145.0 -0.2 2.4 26.6 153 151 A T + 0 0 112 1,-0.2 -1,-0.0 43,-0.1 43,-0.0 -0.863 64.7 16.5-112.4 155.0 -3.9 3.2 27.5 154 152 A S S S- 0 0 98 -2,-0.3 -1,-0.2 1,-0.2 2,-0.1 0.867 74.3-167.9 65.8 43.1 -6.3 5.9 26.1 155 153 A c - 0 0 8 -3,-0.2 48,-0.5 1,-0.1 2,-0.3 -0.403 31.6-107.2 -64.2 133.7 -4.3 6.7 22.9 156 154 A V - 0 0 56 -2,-0.1 -13,-0.3 46,-0.1 2,-0.3 -0.516 39.9-172.6 -65.3 126.9 -5.6 9.9 21.2 157 155 A S + 0 0 44 -2,-0.3 47,-0.1 1,-0.1 3,-0.1 -0.631 42.5 107.1-130.1 66.9 -7.4 8.5 18.1 158 156 A E S S+ 0 0 160 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.741 77.9 11.7-115.9 -43.3 -8.5 11.4 16.0 159 156AA Q - 0 0 142 -3,-0.1 -1,-0.3 44,-0.0 -17,-0.3 -0.941 67.9-120.7-150.9 124.4 -6.4 11.7 12.8 160 157 A L + 0 0 50 -2,-0.3 -20,-0.3 -20,-0.2 3,-0.1 -0.406 47.8 145.1 -60.9 133.1 -3.9 9.4 11.1 161 158 A D + 0 0 90 -22,-2.6 2,-0.3 1,-0.2 -21,-0.2 0.367 49.0 58.9-149.1 2.7 -0.4 11.1 10.8 162 159 A H E -C 139 0A 15 -23,-1.8 -23,-2.4 -137,-0.1 2,-0.4 -0.966 59.7-144.1-151.0 125.0 2.4 8.6 11.3 163 160 A G E +C 138 0A 4 -2,-0.3 -25,-0.2 -25,-0.2 2,-0.2 -0.782 32.7 152.8 -94.7 134.7 3.5 5.4 9.5 164 161 A V E -C 137 0A 3 -27,-2.8 -27,-2.2 -2,-0.4 2,-0.4 -0.692 38.9-101.8-145.0-174.3 5.0 2.5 11.5 165 162 A L E -CF 136 181A 3 16,-1.5 16,-2.8 -29,-0.2 2,-0.5 -0.966 16.5-142.5-131.9 118.5 5.3 -1.4 11.4 166 163 A L E +CF 135 180A 1 -31,-3.0 -31,-1.6 -2,-0.4 14,-0.2 -0.724 25.3 169.9 -73.9 124.9 3.3 -4.0 13.4 167 164 A V E - 0 0 0 12,-2.8 -160,-2.4 -2,-0.5 -159,-0.3 0.419 56.5 -23.4-117.3 -2.0 5.7 -6.8 14.4 168 165 A G E -AF 6 179A 0 11,-1.0 11,-2.4 -162,-0.2 -1,-0.3 -0.979 48.6-144.4 175.0 178.6 3.6 -8.9 16.8 169 166 A Y E -AF 5 178A 2 -164,-2.0 -164,-2.3 -2,-0.3 2,-0.3 -0.972 6.7-148.6-156.6 166.3 0.6 -9.1 19.2 170 167 A N E +AF 4 177A 26 7,-2.5 7,-1.7 -2,-0.3 3,-0.3 -0.857 15.2 173.1-145.9 107.7 -0.3 -10.9 22.5 171 167AA D S S+ 0 0 66 -168,-3.1 -167,-0.2 -2,-0.3 -1,-0.1 0.546 78.7 64.3 -87.5 -9.3 -3.9 -11.9 23.1 172 167BA S S S+ 0 0 90 -169,-0.5 -1,-0.2 3,-0.1 -168,-0.1 0.593 80.1 104.8 -89.8 -16.4 -3.1 -13.8 26.3 173 167CA A S S- 0 0 26 -3,-0.3 -3,-0.0 2,-0.1 0, 0.0 -0.133 89.5-104.4 -65.2 161.5 -1.8 -10.8 28.3 174 167DA A S S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.0 -3,-0.0 0.916 121.8 21.8 -55.7 -44.6 -3.8 -9.1 31.1 175 168 A V S S- 0 0 80 -5,-0.0 -1,-0.3 22,-0.0 -2,-0.1 -0.987 100.9-124.2-113.3 110.7 -4.6 -6.3 28.5 176 169 A P - 0 0 42 0, 0.0 22,-2.3 0, 0.0 2,-0.3 -0.244 40.1-172.2 -54.2 146.2 -4.1 -7.7 25.0 177 170 A Y E -FG 170 197A 35 -7,-1.7 -7,-2.5 20,-0.3 2,-0.3 -0.943 28.4-129.7-144.5 159.1 -1.6 -5.6 23.0 178 171 A W E -FG 169 196A 1 18,-2.4 18,-1.2 -2,-0.3 2,-0.5 -0.819 22.1-139.4 -97.6 148.8 0.1 -4.9 19.7 179 172 A I E -FG 168 195A 5 -11,-2.4 -12,-2.8 -2,-0.3 -11,-1.0 -0.968 25.4-170.2-111.4 122.8 3.9 -4.6 19.3 180 173 A I E -FG 166 194A 0 14,-2.6 14,-2.1 -2,-0.5 2,-0.6 -0.964 20.5-140.2-125.3 129.5 5.0 -1.7 17.0 181 174 A K E -FG 165 193A 18 -16,-2.8 -16,-1.5 -2,-0.4 12,-0.2 -0.756 26.3-168.1 -81.9 118.7 8.4 -0.7 15.5 182 175 A N - 0 0 5 10,-1.8 -165,-0.4 -2,-0.6 3,-0.1 -0.571 24.7-134.5-101.2 171.4 8.9 3.1 15.6 183 176 A S S S+ 0 0 6 -2,-0.2 -164,-2.6 -167,-0.1 -163,-0.3 -0.268 76.0 100.7-119.3 39.2 11.6 5.2 13.8 184 177 A W B S-I 18 0B 62 1,-0.4 -166,-0.2 8,-0.3 4,-0.2 -0.064 93.3 -88.6-117.3 26.6 12.6 7.5 16.8 185 178 A T > - 0 0 36 -168,-2.1 3,-0.7 1,-0.1 -1,-0.4 0.122 41.6 -85.6 80.7 164.9 15.8 5.8 17.9 186 179 A T T 3 S+ 0 0 52 1,-0.2 6,-0.4 -170,-0.2 5,-0.3 0.594 120.2 71.6 -79.9 -13.0 16.2 3.0 20.5 187 180 A Q T 3 S+ 0 0 159 4,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.708 86.5 80.0 -70.9 -20.4 16.3 5.5 23.4 188 181 A W S <> S- 0 0 37 -3,-0.7 4,-2.1 -4,-0.2 -6,-0.1 -0.703 103.8 -25.7 -86.8 138.8 12.6 6.1 22.9 189 182 A G T 4 S- 0 0 22 -42,-0.5 2,-1.0 -2,-0.3 5,-0.2 -0.342 123.6 -13.0 67.7-141.1 10.0 3.6 24.3 190 183 A E B >4 S-H 193 0A 56 3,-2.9 3,-1.6 1,-0.2 -1,-0.1 -0.792 130.8 -45.9 -99.1 84.4 10.9 -0.0 24.9 191 184 A E T 34 S- 0 0 142 -2,-1.0 -175,-0.2 -5,-0.3 -4,-0.2 0.866 121.6 -41.6 53.2 37.0 14.3 -0.0 22.9 192 185 A G T 3< S+ 0 0 0 -4,-2.1 -10,-1.8 -6,-0.4 -8,-0.3 0.358 121.5 106.2 96.0 -5.1 12.5 1.8 20.1 193 186 A Y E < -HG 190 181A 23 -3,-1.6 -3,-2.9 -12,-0.2 2,-0.4 -0.673 51.3-155.1-100.5 156.0 9.2 -0.2 20.3 194 187 A I E - G 0 180A 0 -14,-2.1 -14,-2.6 -2,-0.2 2,-0.5 -0.995 4.2-152.4-130.4 139.2 5.7 0.7 21.6 195 188 A R E -eG 151 179A 55 -45,-0.7 -43,-2.6 -2,-0.4 2,-0.3 -0.962 18.1-180.0-107.0 129.5 3.0 -1.6 22.9 196 189 A I E -eG 152 178A 0 -18,-1.2 -18,-2.4 -2,-0.5 -43,-0.1 -0.900 38.4 -89.2-120.8 152.7 -0.6 -0.3 22.6 197 190 A A E - G 0 177A 13 -45,-1.0 5,-0.4 -2,-0.3 2,-0.4 -0.343 41.4-138.5 -64.0 147.3 -3.8 -2.0 23.7 198 191 A K S S+ 0 0 29 -22,-2.3 -1,-0.1 -28,-0.2 -29,-0.0 -0.906 74.0 37.5-111.6 136.3 -5.4 -4.3 21.0 199 192 A G S S+ 0 0 61 -2,-0.4 -1,-0.2 3,-0.1 -76,-0.1 0.336 98.6 70.5 109.7 -2.1 -9.2 -4.6 20.3 200 193 A S S S- 0 0 73 -3,-0.3 4,-0.1 -78,-0.0 -2,-0.1 0.059 105.5-105.9-131.6 24.6 -10.4 -0.9 20.7 201 198 A N > - 0 0 29 1,-0.2 3,-2.2 2,-0.1 -3,-0.1 0.858 47.9-164.9 50.8 43.4 -8.8 0.7 17.6 202 199 A Q G > S- 0 0 26 -5,-0.4 3,-1.7 1,-0.3 -1,-0.2 -0.344 71.7 -1.6 -61.5 130.6 -6.2 2.5 19.7 203 200 A c G 3 S- 0 0 0 -48,-0.5 -63,-2.0 1,-0.3 -1,-0.3 0.652 121.7 -77.5 60.5 19.9 -4.5 5.3 17.7 204 201 A L G X S+ 0 0 21 -3,-2.2 3,-2.1 -65,-0.2 4,-0.3 0.727 82.3 158.6 63.7 26.4 -6.7 4.3 14.7 205 202 A V T < + 0 0 1 -3,-1.7 3,-0.3 1,-0.3 -67,-0.2 0.706 63.4 54.2 -58.7 -27.1 -4.3 1.3 14.1 206 203 A K T 3 S+ 0 0 69 1,-0.2 3,-0.5 -86,-0.1 -1,-0.3 0.565 89.2 80.5 -82.0 -8.3 -6.8 -0.7 12.1 207 204 A E S < S+ 0 0 63 -3,-2.1 -1,-0.2 -69,-0.3 -2,-0.1 0.775 100.7 21.0 -78.8 -30.3 -7.6 1.9 9.5 208 205 A E S S+ 0 0 92 -70,-0.4 -70,-0.5 -4,-0.3 2,-0.4 -0.492 75.8 153.4-140.8 64.8 -4.7 1.8 6.9 209 206 A A E + D 0 137A 4 -3,-0.5 -91,-2.3 -91,-0.4 2,-0.3 -0.818 12.9 149.1 -99.1 133.1 -2.9 -1.6 7.2 210 207 A S E -BD 117 136A 1 -74,-2.6 -74,-2.1 -2,-0.4 2,-0.3 -0.971 24.0-155.9-156.2 168.7 -1.1 -3.0 4.1 211 208 A S E -B 116 0A 0 -95,-2.4 -95,-2.5 -2,-0.3 -76,-0.1 -0.980 21.4-117.3-149.9 142.0 1.9 -5.2 3.0 212 209 A A E -B 115 0A 1 -2,-0.3 2,-0.4 -97,-0.3 -97,-0.3 -0.337 30.0-133.1 -61.3 154.6 4.2 -5.7 0.1 213 210 A V E -B 114 0A 51 -99,-2.4 -100,-2.5 -2,-0.0 -99,-1.1 -0.988 15.2-163.5-115.4 126.6 4.1 -9.2 -1.6 214 211 A V 0 0 26 -2,-0.4 -102,-0.1 -102,-0.2 -99,-0.0 -0.905 360.0 360.0-104.9 129.6 7.4 -11.0 -2.4 215 212 A G 0 0 107 -2,-0.4 -1,-0.1 -104,-0.2 -104,-0.1 0.124 360.0 360.0 -85.9 360.0 7.1 -13.8 -4.9