==== 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 02-MAY-02 1IWD . COMPND 2 MOLECULE: ERVATAMIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: TABERNAEMONTANA DIVARICATA; . AUTHOR C.CHAKRABARTI,S.BISWAS,J.K.DATTAGUPTA . 215 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9365.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 61.4 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 . 39 18.1 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 . 2 0.9 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 . 18 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 19.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1 0 0 1 0 0 1 1 0 0 0 0 0 0 1 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 . 5 1 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 L 0 0 142 0, 0.0 121,-0.1 0, 0.0 120,-0.0 0.000 360.0 360.0 360.0 116.7 5.6 12.2 15.7 2 2 A P - 0 0 69 0, 0.0 3,-0.1 0, 0.0 123,-0.0 -0.090 360.0-148.4 -50.0 144.9 7.6 13.7 18.6 3 3 A S S S+ 0 0 100 1,-0.2 2,-0.4 164,-0.0 164,-0.1 0.644 87.6 35.3 -88.7 -17.9 11.2 12.6 18.9 4 4 A F + 0 0 110 162,-0.1 2,-0.4 121,-0.0 -1,-0.2 -0.999 65.1 171.7-139.8 132.9 11.0 13.0 22.7 5 5 A V E +A 165 0A 16 160,-2.7 160,-2.0 -2,-0.4 2,-0.3 -0.993 6.3 166.6-143.2 131.7 8.2 12.3 25.1 6 6 A D E > -A 164 0A 21 -2,-0.4 3,-1.2 158,-0.2 4,-0.4 -0.797 14.9-168.6-147.1 100.3 8.1 12.2 28.9 7 7 A W G > >S+ 0 0 40 156,-2.9 5,-1.9 -2,-0.3 3,-0.6 0.664 84.9 70.0 -65.0 -15.1 4.7 12.2 30.5 8 8 A R G > 5S+ 0 0 83 155,-0.3 3,-1.3 1,-0.2 5,-0.3 0.869 94.8 54.2 -69.2 -34.4 6.3 12.9 33.9 9 9 A S G < 5S+ 0 0 79 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.609 103.4 57.6 -74.8 -10.7 7.2 16.5 32.7 10 10 A K G < 5S- 0 0 143 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.277 115.7-112.8-100.8 8.4 3.5 17.0 31.8 11 11 A G T < 5S+ 0 0 35 -3,-1.3 -3,-0.2 1,-0.1 -2,-0.1 0.712 85.8 118.3 68.3 22.4 2.3 16.3 35.3 12 12 A A < + 0 0 2 -5,-1.9 2,-0.4 2,-0.1 27,-0.2 0.350 54.2 78.0-101.3 5.7 0.6 13.1 34.2 13 13 A V S S- 0 0 21 -6,-0.3 3,-0.1 -5,-0.3 -2,-0.1 -0.965 70.5-137.2-123.8 130.5 2.6 10.7 36.3 14 14 A N - 0 0 28 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.140 40.2 -78.1 -72.3 169.5 2.1 10.0 40.0 15 15 A S - 0 0 87 1,-0.1 -1,-0.2 0, 0.0 0, 0.0 -0.355 65.4 -82.8 -65.6 153.4 5.0 9.6 42.6 16 16 A I - 0 0 21 171,-0.2 2,-0.2 -3,-0.1 166,-0.2 -0.293 50.7-157.9 -60.2 140.0 6.7 6.2 42.5 17 17 A K - 0 0 22 161,-0.4 164,-2.1 164,-0.1 2,-0.4 -0.631 9.2-133.5-114.2 174.8 4.9 3.4 44.4 18 18 A N B -I 180 0B 67 162,-0.2 162,-0.2 -2,-0.2 161,-0.0 -0.965 8.4-166.6-137.2 117.4 6.0 0.1 46.0 19 19 A Q - 0 0 19 160,-3.0 3,-0.4 -2,-0.4 161,-0.1 0.673 31.4-174.1 -74.7 -17.4 4.1 -3.2 45.6 20 20 A K - 0 0 132 159,-0.4 2,-1.1 1,-0.2 -1,-0.2 -0.207 57.6 -11.0 57.2-143.8 6.2 -4.7 48.3 21 21 A Q S S+ 0 0 190 2,-0.1 2,-0.4 3,-0.0 -1,-0.2 -0.213 111.1 94.3 -86.1 48.4 5.7 -8.5 49.0 22 22 A a S S- 0 0 6 -2,-1.1 2,-2.4 -3,-0.4 3,-0.1 -1.000 77.6-124.8-138.9 136.1 2.6 -9.0 46.9 23 23 A G B +j 64 0C 28 40,-1.7 42,-0.9 -2,-0.4 3,-0.2 -0.445 70.0 123.2 -79.0 69.8 2.3 -10.2 43.3 24 24 A S >> + 0 0 0 -2,-2.4 4,-2.1 -4,-0.2 3,-1.1 0.110 17.7 120.8-118.6 20.6 0.3 -7.2 42.3 25 25 A C H 3> S+ 0 0 22 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.854 75.3 60.2 -52.3 -37.5 2.5 -5.7 39.5 26 26 A W H 3> S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.866 106.9 45.3 -59.0 -38.2 -0.5 -6.2 37.2 27 27 A A H <> S+ 0 0 0 -3,-1.1 4,-2.7 2,-0.2 5,-0.2 0.885 112.5 49.6 -74.4 -40.9 -2.6 -3.8 39.4 28 28 A F H X S+ 0 0 10 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.915 112.2 48.5 -65.6 -40.2 0.2 -1.2 39.7 29 29 A S H X S+ 0 0 3 -4,-2.8 4,-1.7 -5,-0.2 -2,-0.2 0.942 114.8 44.7 -64.0 -47.6 0.7 -1.2 35.9 30 30 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.929 113.7 49.0 -62.9 -47.5 -3.0 -0.8 35.2 31 31 A V H X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.908 108.2 53.7 -61.2 -42.9 -3.6 1.8 37.8 32 32 A A H X S+ 0 0 5 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.907 109.5 48.7 -59.1 -41.2 -0.7 4.0 36.7 33 33 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.879 112.9 48.0 -66.2 -37.2 -2.0 4.0 33.1 34 34 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.914 108.4 53.3 -69.7 -43.4 -5.5 4.9 34.4 35 35 A E H X S+ 0 0 3 -4,-3.0 4,-1.7 1,-0.2 11,-0.3 0.912 111.2 48.7 -57.1 -42.8 -4.2 7.7 36.6 36 36 A S H X S+ 0 0 4 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.913 109.9 47.2 -66.3 -46.1 -2.4 9.2 33.6 37 37 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.849 109.7 56.0 -67.7 -29.7 -5.2 9.1 31.1 38 38 A N H X S+ 0 0 10 -4,-2.1 4,-2.9 2,-0.2 6,-0.6 0.923 109.9 45.4 -65.9 -41.6 -7.5 10.7 33.7 39 39 A K H X S+ 0 0 57 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.929 112.6 50.7 -65.5 -45.5 -5.0 13.6 34.1 40 40 A I H < S+ 0 0 48 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.886 120.5 34.9 -60.2 -39.3 -4.6 14.0 30.3 41 41 A R H < S+ 0 0 125 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.846 132.3 23.9 -86.1 -37.0 -8.4 14.1 29.8 42 42 A T H < S- 0 0 75 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.564 95.5-120.6-108.8 -11.8 -9.7 15.9 32.9 43 43 A G S < S+ 0 0 42 -4,-2.2 2,-0.5 -5,-0.4 -4,-0.2 0.421 77.8 107.8 86.9 -0.6 -6.7 18.0 34.1 44 44 A Q - 0 0 126 -6,-0.6 2,-0.7 -9,-0.1 -2,-0.2 -0.937 55.9-152.6-118.1 130.8 -6.5 16.3 37.5 45 45 A L + 0 0 61 -2,-0.5 2,-0.4 -6,-0.1 -9,-0.1 -0.887 23.8 175.6-101.0 112.1 -3.9 13.8 38.7 46 46 A I - 0 0 49 -2,-0.7 2,-0.5 -11,-0.3 -7,-0.1 -0.952 31.3-125.1-119.5 136.7 -5.5 11.6 41.4 47 47 A S - 0 0 29 -2,-0.4 37,-2.3 1,-0.0 38,-0.5 -0.703 35.0-155.9 -81.7 122.9 -3.7 8.7 43.1 48 48 A L B -K 83 0D 1 -2,-0.5 2,-0.7 35,-0.3 35,-0.3 -0.532 19.1 -92.6-101.7 169.8 -5.9 5.6 42.6 49 49 A S > + 0 0 0 33,-2.3 4,-0.8 -2,-0.2 33,-0.2 -0.681 29.6 174.3 -92.3 108.6 -6.3 2.3 44.6 50 50 A E H > S+ 0 0 4 -2,-0.7 4,-2.0 1,-0.2 3,-0.3 0.809 85.2 65.1 -72.1 -30.9 -4.3 -0.8 43.5 51 51 A Q H > S+ 0 0 4 36,-0.4 4,-2.6 1,-0.2 5,-0.3 0.857 92.7 59.4 -60.5 -36.7 -5.7 -2.5 46.6 52 52 A E H > S+ 0 0 0 35,-0.3 4,-3.2 1,-0.2 5,-0.4 0.905 107.1 47.2 -59.6 -40.5 -9.2 -2.3 45.2 53 53 A L H X S+ 0 0 0 -4,-0.8 4,-2.1 -3,-0.3 9,-0.2 0.929 110.7 51.0 -66.5 -44.7 -8.0 -4.4 42.2 54 54 A V H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.912 121.8 33.1 -58.7 -43.0 -6.3 -6.9 44.4 55 55 A D H < S+ 0 0 19 -4,-2.6 41,-0.4 -5,-0.1 -2,-0.2 0.847 129.3 31.6 -82.5 -35.4 -9.4 -7.4 46.5 56 56 A b H < S+ 0 0 11 -4,-3.2 2,-1.7 -5,-0.3 -3,-0.2 0.683 88.2 89.1-104.6 -19.5 -12.2 -6.9 44.0 57 57 A D >< + 0 0 8 -4,-2.1 3,-1.3 -5,-0.4 5,-0.4 -0.623 51.0 179.2 -81.4 90.6 -11.0 -8.1 40.6 58 58 A T T 3 S+ 0 0 137 -2,-1.7 -1,-0.2 1,-0.3 -4,-0.0 0.521 74.7 64.6 -71.2 -5.6 -12.1 -11.7 41.1 59 59 A A T 3 S+ 0 0 62 11,-0.1 -1,-0.3 -3,-0.1 2,-0.1 0.663 99.4 64.7 -87.9 -19.8 -10.9 -12.6 37.6 60 60 A S S < S- 0 0 8 -3,-1.3 6,-0.2 -7,-0.2 5,-0.0 -0.394 91.5-115.8 -93.8 178.7 -7.4 -11.9 38.7 61 61 A H > - 0 0 115 4,-2.2 3,-2.4 1,-0.3 5,-0.1 -0.032 33.5-132.8-111.7 33.8 -5.4 -13.8 41.4 62 62 A G T > S- 0 0 0 -5,-0.4 3,-0.9 1,-0.3 -1,-0.3 -0.346 84.3 -8.6 58.4-126.7 -4.8 -11.3 44.1 63 63 A a T 3 S+ 0 0 32 1,-0.2 -40,-1.7 -2,-0.1 -1,-0.3 0.355 129.2 72.7 -84.6 5.7 -1.2 -11.3 45.3 64 64 A N B < S-j 23 0C 150 -3,-2.4 -1,-0.2 1,-0.4 -2,-0.2 0.324 112.6 -87.9 -99.3 5.3 -0.6 -14.4 43.1 65 65 A G < + 0 0 17 -42,-0.9 -4,-2.2 -3,-0.9 -1,-0.4 -0.538 47.7 178.3 118.6 175.7 -0.7 -12.5 39.9 66 66 A G - 0 0 18 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.1 -0.969 30.1 -86.6 171.4-165.7 -3.1 -11.2 37.2 67 67 A W > - 0 0 103 -2,-0.3 4,-1.7 1,-0.1 3,-0.3 -0.983 19.0-129.7-136.8 147.3 -3.3 -9.1 34.0 68 68 A M H > S+ 0 0 6 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.882 110.5 55.7 -60.4 -39.6 -3.6 -5.5 33.2 69 69 A N H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.866 104.3 53.9 -63.0 -34.1 -6.4 -6.2 30.8 70 70 A N H > S+ 0 0 36 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.921 108.4 50.9 -63.1 -42.2 -8.3 -7.9 33.6 71 71 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.904 108.9 49.0 -62.0 -44.0 -7.9 -4.8 35.6 72 72 A F H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.914 110.9 51.6 -63.5 -40.7 -9.2 -2.5 32.9 73 73 A Q H X S+ 0 0 94 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.888 109.0 50.4 -63.1 -39.2 -12.2 -4.8 32.5 74 74 A Y H X S+ 0 0 25 -4,-2.2 4,-2.9 2,-0.2 6,-0.3 0.941 109.6 49.9 -63.6 -48.1 -12.9 -4.6 36.2 75 75 A I H X>S+ 0 0 1 -4,-2.3 5,-1.7 1,-0.2 4,-1.0 0.893 113.3 47.1 -58.7 -39.7 -12.8 -0.8 36.3 76 76 A I H <5S+ 0 0 62 -4,-2.1 3,-0.3 2,-0.2 -1,-0.2 0.942 116.0 42.7 -67.3 -48.5 -15.2 -0.7 33.3 77 77 A T H <5S+ 0 0 125 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.825 114.7 51.0 -67.4 -33.1 -17.6 -3.2 34.8 78 78 A N H <5S- 0 0 24 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.690 110.6-121.5 -78.1 -19.2 -17.4 -1.7 38.2 79 79 A G T <5S- 0 0 44 -4,-1.0 2,-0.3 -3,-0.3 -3,-0.2 0.617 73.7 -26.6 87.4 13.7 -18.1 1.8 36.9 80 80 A G < - 0 0 0 -5,-1.7 2,-0.3 -6,-0.3 25,-0.2 -0.910 68.3 -94.3 143.8-170.4 -14.9 3.2 38.2 81 81 A I B -L 104 0E 0 23,-1.6 23,-1.7 -2,-0.3 22,-1.5 -0.985 29.8-117.5-146.6 150.6 -12.2 2.9 40.9 82 82 A D - 0 0 2 -2,-0.3 -33,-2.3 20,-0.2 2,-0.1 -0.291 35.6 -95.4 -84.4 172.3 -11.6 4.4 44.3 83 83 A T B > -K 48 0D 24 -35,-0.3 4,-1.5 1,-0.1 -35,-0.3 -0.443 24.7-119.0 -85.7 160.9 -8.7 6.6 45.5 84 84 A Q T 4 S+ 0 0 67 -37,-2.3 -36,-0.1 1,-0.2 -1,-0.1 0.847 115.2 59.3 -65.6 -32.8 -5.6 5.4 47.3 85 85 A Q T 4 S+ 0 0 187 -38,-0.5 -1,-0.2 1,-0.2 -37,-0.1 0.877 112.6 36.0 -63.2 -40.0 -6.6 7.7 50.1 86 86 A N T 4 S+ 0 0 79 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.627 131.2 30.8 -90.2 -15.2 -10.0 6.0 50.6 87 87 A Y S < S- 0 0 3 -4,-1.5 -36,-0.4 13,-0.0 -35,-0.3 -0.581 87.8-161.3-144.2 72.9 -8.8 2.4 49.9 88 88 A P - 0 0 69 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.102 23.9-100.7 -59.4 150.9 -5.1 2.2 51.0 89 89 A Y + 0 0 43 1,-0.1 -40,-0.0 -5,-0.1 -5,-0.0 -0.564 39.1 168.7 -77.3 131.1 -2.6 -0.4 49.9 90 90 A S - 0 0 82 -2,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.463 41.4-129.0-118.5 -9.1 -1.9 -3.2 52.3 91 91 A A S S+ 0 0 22 1,-0.1 2,-0.3 -71,-0.1 -68,-0.1 0.767 81.7 82.2 63.5 27.8 0.1 -5.7 50.1 92 92 A V S S- 0 0 90 -70,-0.1 2,-0.3 -30,-0.0 -2,-0.2 -0.963 87.3-103.5-156.6 143.5 -2.2 -8.6 51.0 93 93 A Q + 0 0 107 -2,-0.3 2,-0.2 -3,-0.1 -38,-0.1 -0.578 50.2 161.0 -76.1 130.5 -5.6 -9.6 49.6 94 94 A G - 0 0 41 -2,-0.3 2,-0.3 -43,-0.2 -1,-0.0 -0.539 46.1 -47.4-129.6-163.4 -8.5 -8.8 51.9 95 95 A S - 0 0 105 -2,-0.2 2,-0.5 1,-0.1 -39,-0.1 -0.547 59.8-111.3 -75.1 133.7 -12.2 -8.3 51.7 96 96 A b - 0 0 39 -41,-0.4 -1,-0.1 -2,-0.3 -44,-0.1 -0.536 41.5-111.4 -66.2 115.1 -13.4 -6.2 48.8 97 97 A K > - 0 0 94 -2,-0.5 3,-1.2 1,-0.1 -1,-0.1 -0.293 24.2-152.9 -54.0 115.0 -14.7 -3.1 50.5 98 98 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.800 89.7 42.1 -61.0 -33.2 -18.6 -3.0 50.1 99 99 A Y T 3 S+ 0 0 207 2,-0.0 -2,-0.1 0, 0.0 0, 0.0 -0.007 80.4 141.2-109.2 32.1 -19.0 0.8 50.3 100 100 A R < - 0 0 35 -3,-1.2 2,-0.3 1,-0.1 -13,-0.0 -0.274 47.2-121.1 -67.8 157.9 -16.0 1.9 48.2 101 101 A L - 0 0 102 -18,-0.1 2,-0.8 -15,-0.0 -1,-0.1 -0.697 4.0-132.3-104.7 155.3 -16.5 4.9 45.9 102 102 A R + 0 0 116 -2,-0.3 -20,-0.2 1,-0.2 3,-0.1 -0.823 40.6 155.1-108.2 90.9 -16.1 5.2 42.1 103 103 A V + 0 0 72 -22,-1.5 2,-0.4 -2,-0.8 -21,-0.2 0.891 62.5 29.9 -84.1 -47.2 -14.0 8.3 41.7 104 104 A V B -L 81 0E 4 -23,-1.7 -23,-1.6 2,-0.0 2,-0.3 -0.948 69.1-175.4-119.3 139.4 -12.3 7.8 38.3 105 105 A S - 0 0 48 -2,-0.4 2,-0.3 -25,-0.2 -29,-0.1 -0.893 10.7-152.7-131.1 160.8 -13.8 5.8 35.4 106 106 A I - 0 0 10 -2,-0.3 108,-0.2 -31,-0.2 -27,-0.1 -0.895 14.4-141.8-128.8 160.6 -12.6 4.7 31.9 107 107 A N - 0 0 97 106,-2.5 2,-0.3 -2,-0.3 107,-0.2 0.600 69.1 -54.8 -98.2 -15.6 -14.6 4.0 28.8 108 108 A G E -B 213 0A 12 105,-1.3 105,-2.9 2,-0.0 2,-0.3 -0.976 52.8-103.3 169.3-160.9 -12.6 1.0 27.5 109 109 A F E -B 212 0A 43 103,-0.3 2,-0.4 -2,-0.3 -40,-0.0 -0.986 16.3-138.8-157.4 152.5 -9.1 -0.1 26.5 110 110 A Q E -B 211 0A 102 101,-2.8 101,-2.1 -2,-0.3 2,-0.6 -0.907 9.3-141.8-117.8 143.9 -7.0 -0.7 23.4 111 111 A R E -B 210 0A 133 -2,-0.4 99,-0.2 99,-0.2 2,-0.1 -0.913 24.7-135.4-104.6 121.1 -4.5 -3.5 22.6 112 112 A V - 0 0 13 97,-2.0 3,-0.1 -2,-0.6 8,-0.1 -0.455 37.5 -82.4 -75.5 147.6 -1.5 -2.3 20.7 113 113 A T > - 0 0 91 -2,-0.1 3,-0.6 1,-0.1 -1,-0.1 -0.266 58.6-114.6 -48.6 125.8 -0.2 -4.2 17.7 114 114 A R T 3 S+ 0 0 79 1,-0.2 93,-0.2 -3,-0.1 94,-0.1 -0.326 85.7 8.3 -70.7 149.0 2.0 -7.0 19.2 115 115 A N T 3 S+ 0 0 72 91,-2.3 2,-0.3 85,-0.2 -1,-0.2 0.870 95.2 115.3 49.8 48.8 5.7 -7.2 18.7 116 116 A N <> - 0 0 67 -3,-0.6 4,-2.0 90,-0.5 3,-0.4 -0.752 42.0-173.8-147.4 94.2 6.0 -3.8 16.9 117 117 A E H > S+ 0 0 14 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.738 87.5 57.9 -61.6 -24.4 8.1 -1.1 18.7 118 118 A S H > S+ 0 0 75 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.899 107.8 45.9 -71.9 -40.8 7.1 1.5 16.1 119 119 A A H > S+ 0 0 26 -3,-0.4 4,-1.7 1,-0.2 -2,-0.2 0.873 112.4 52.4 -66.8 -36.9 3.4 0.9 16.8 120 120 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.875 105.3 54.3 -67.0 -37.2 4.2 1.1 20.5 121 121 A Q H X S+ 0 0 32 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.913 106.6 52.0 -62.8 -42.0 6.0 4.4 20.1 122 122 A S H X S+ 0 0 65 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.890 110.5 48.5 -61.5 -40.0 2.9 5.9 18.4 123 123 A A H >X S+ 0 0 11 -4,-1.7 4,-1.5 1,-0.2 3,-1.3 0.924 109.5 51.2 -66.9 -44.5 0.8 4.7 21.4 124 124 A V H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.810 99.7 64.9 -64.2 -28.8 3.2 6.2 24.0 125 125 A A H 3< S+ 0 0 23 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.751 109.5 40.2 -65.5 -21.7 3.2 9.5 22.1 126 126 A S H << S- 0 0 76 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.733 132.5 -29.4 -97.4 -28.2 -0.5 9.7 23.1 127 127 A Q S < S- 0 0 10 -4,-1.5 -1,-0.4 35,-0.0 35,-0.1 -0.948 78.1 -65.7-179.4 161.3 -0.4 8.4 26.6 128 128 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 35,-0.2 -0.321 51.8-147.2 -60.3 144.0 1.4 6.0 29.0 129 129 A V E -C 162 0A 0 33,-1.6 33,-2.8 82,-0.1 2,-0.3 -0.950 7.4-129.0-123.2 135.6 1.1 2.3 28.0 130 130 A S E +CD 161 210A 0 80,-2.3 80,-2.1 -2,-0.4 2,-0.3 -0.624 39.2 163.5 -80.1 133.8 1.0 -0.8 30.2 131 131 A V E -C 160 0A 0 29,-2.5 29,-2.7 -2,-0.3 2,-0.3 -0.933 34.5-117.8-145.6 167.2 3.4 -3.6 29.1 132 132 A T E -C 159 0A 2 73,-0.3 2,-0.3 -2,-0.3 75,-0.2 -0.743 28.9-179.2-104.1 155.8 5.1 -6.8 30.3 133 133 A V E -C 158 0A 0 25,-1.8 2,-0.9 -2,-0.3 25,-0.7 -0.971 35.1-113.3-148.8 155.5 8.8 -7.2 30.8 134 134 A E + 0 0 21 69,-1.4 3,-0.1 19,-0.4 22,-0.1 -0.861 46.1 160.5 -91.5 107.6 11.1 -10.1 31.9 135 135 A A + 0 0 3 -2,-0.9 -1,-0.1 1,-0.1 21,-0.0 0.119 41.8 94.1-120.9 22.5 12.4 -8.7 35.2 136 136 A A + 0 0 65 4,-0.1 -1,-0.1 22,-0.0 2,-0.1 0.590 63.4 103.8 -89.7 -10.7 13.7 -11.8 37.0 137 137 A G S > S- 0 0 20 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.349 76.8-124.5 -75.8 152.7 17.3 -11.5 35.8 138 138 A A H > S+ 0 0 60 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.907 109.4 55.6 -59.3 -45.6 20.2 -10.2 37.8 139 139 A P H 4 S+ 0 0 54 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.929 112.4 42.3 -54.7 -46.7 21.1 -7.5 35.2 140 140 A F H >4 S+ 0 0 1 11,-0.3 3,-1.2 1,-0.2 -2,-0.2 0.939 115.1 48.7 -66.1 -48.6 17.5 -6.0 35.4 141 141 A Q H 3< S+ 0 0 90 -4,-2.4 44,-0.3 1,-0.2 -1,-0.2 0.806 114.3 45.1 -64.0 -31.4 17.2 -6.2 39.2 142 142 A H T 3< S+ 0 0 147 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.348 81.5 135.9 -95.0 5.4 20.5 -4.6 39.9 143 143 A Y < + 0 0 18 -3,-1.2 42,-0.8 -4,-0.3 3,-0.1 -0.245 22.0 169.0 -53.4 137.1 20.1 -1.8 37.3 144 144 A S - 0 0 86 1,-0.4 2,-0.3 40,-0.1 -1,-0.1 0.720 53.1 -30.6-119.5 -47.2 21.1 1.5 38.8 145 145 A S S S+ 0 0 83 41,-0.1 -1,-0.4 40,-0.0 2,-0.1 -0.984 88.6 52.2-166.9 170.1 21.3 4.1 35.9 146 146 A G S S- 0 0 39 -2,-0.3 2,-0.7 -3,-0.1 45,-0.7 -0.362 96.7 -36.6 88.5-172.8 21.9 4.7 32.3 147 147 A I E -e 191 0A 35 -2,-0.1 2,-0.3 43,-0.1 45,-0.2 -0.805 60.6-138.3 -93.7 114.6 20.3 2.9 29.3 148 148 A F E +e 192 0A 16 43,-3.3 45,-2.5 -2,-0.7 -2,-0.1 -0.537 23.6 177.7 -71.3 129.8 19.8 -0.8 30.1 149 149 A T - 0 0 76 1,-0.5 3,-0.1 -2,-0.3 -1,-0.1 0.268 34.8-156.0-118.6 9.7 20.7 -3.0 27.2 150 150 A G - 0 0 17 1,-0.3 -1,-0.5 52,-0.1 2,-0.1 -0.579 47.2-143.3 102.6-168.0 20.1 -6.5 28.7 151 151 A P + 0 0 99 0, 0.0 -11,-0.3 0, 0.0 2,-0.3 0.543 59.0 126.1 -80.3 164.4 20.5 -9.3 28.8 152 152 A c - 0 0 37 -3,-0.1 51,-0.3 -2,-0.1 52,-0.1 -0.947 48.0-115.5-169.9 163.7 17.1 -10.6 29.8 153 153 A G - 0 0 32 -2,-0.3 -19,-0.4 50,-0.2 -16,-0.0 0.076 24.7-112.2 -93.0-154.2 14.5 -13.1 28.5 154 154 A T + 0 0 78 -21,-0.1 53,-0.0 50,-0.1 -22,-0.0 0.292 63.7 131.1-127.1 6.5 11.0 -12.7 27.1 155 155 A A - 0 0 55 1,-0.1 2,-1.3 2,-0.1 3,-0.2 -0.331 61.1-128.8 -61.4 143.5 8.9 -14.3 29.8 156 156 A Q + 0 0 76 1,-0.2 -22,-0.2 -22,-0.1 -1,-0.1 -0.533 61.7 134.5 -94.0 67.6 5.9 -12.1 30.8 157 157 A N + 0 0 75 -2,-1.3 2,-0.3 -24,-0.3 -1,-0.2 0.337 62.2 35.9 -98.5 5.8 6.7 -12.3 34.6 158 158 A H E -C 133 0A 14 -25,-0.7 -25,-1.8 -3,-0.2 2,-0.4 -0.990 64.4-143.4-155.1 154.6 6.3 -8.6 35.4 159 159 A G E +C 132 0A 1 -2,-0.3 -27,-0.2 -27,-0.2 2,-0.2 -0.988 28.0 153.3-127.0 132.9 4.1 -5.7 34.5 160 160 A V E -C 131 0A 3 -29,-2.7 -29,-2.5 -2,-0.4 2,-0.4 -0.710 34.9-110.7-139.2-171.6 5.2 -2.0 34.2 161 161 A V E -CF 130 177A 3 16,-1.5 16,-3.2 -31,-0.2 2,-0.6 -0.995 13.7-138.6-134.5 136.2 4.3 1.2 32.4 162 162 A I E +CF 129 176A 0 -33,-2.8 -33,-1.6 -2,-0.4 14,-0.2 -0.838 22.4 175.1 -92.1 122.8 6.1 3.1 29.6 163 163 A V E - 0 0 1 12,-2.6 -156,-2.9 -2,-0.6 -155,-0.3 0.372 59.2 -19.9-109.1 3.6 5.9 6.8 30.4 164 164 A G E -AF 6 175A 0 11,-0.9 11,-2.6 -158,-0.2 2,-0.3 -0.990 49.7-143.6 174.8 179.5 8.1 8.1 27.6 165 165 A Y E +AF 5 174A 0 -160,-2.0 -160,-2.7 -2,-0.3 2,-0.3 -0.976 23.8 140.9-160.5 162.0 10.8 7.7 24.9 166 166 A G E - F 0 173A 0 7,-1.7 7,-2.5 -2,-0.3 2,-0.4 -0.954 40.8 -95.4-178.2-166.1 13.7 9.5 23.4 167 167 A T E - F 0 172A 77 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.998 23.8-172.0-140.7 133.2 17.2 9.2 22.0 168 168 A Q E > S- F 0 171A 119 3,-2.3 3,-1.9 -2,-0.4 -2,-0.0 -0.956 74.3 -25.5-131.3 114.8 20.5 10.0 23.8 169 169 A S T 3 S- 0 0 125 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.909 128.6 -45.0 50.8 49.4 23.8 10.0 21.9 170 170 A G T 3 S+ 0 0 72 1,-0.2 2,-0.6 0, 0.0 -1,-0.3 0.253 114.3 114.3 83.7 -12.7 22.4 7.7 19.2 171 171 A K E < -F 168 0A 75 -3,-1.9 -3,-2.3 22,-0.0 2,-0.2 -0.831 56.9-145.5 -99.9 118.3 20.8 5.2 21.6 172 172 A N E +F 167 0A 43 -2,-0.6 22,-2.2 22,-0.4 2,-0.3 -0.519 27.3 179.9 -75.5 146.1 17.0 5.0 21.5 173 173 A Y E -FG 166 193A 19 -7,-2.5 -7,-1.7 20,-0.3 2,-0.4 -0.959 29.3-137.8-147.8 164.2 15.3 4.3 24.8 174 174 A W E -FG 165 192A 0 18,-2.4 18,-2.3 -2,-0.3 2,-0.7 -0.944 22.2-135.0-116.8 139.3 12.0 3.8 26.6 175 175 A I E -FG 164 191A 2 -11,-2.6 -12,-2.6 -2,-0.4 -11,-0.9 -0.892 30.1-165.2 -95.4 115.7 11.4 5.5 30.0 176 176 A V E -FG 162 190A 0 14,-2.7 14,-2.1 -2,-0.7 2,-0.6 -0.892 14.5-147.1-112.8 129.5 9.8 2.7 32.2 177 177 A R E -FG 161 189A 17 -16,-3.2 -16,-1.5 -2,-0.5 2,-0.2 -0.806 19.7-169.1 -92.2 119.9 8.0 3.2 35.5 178 178 A N - 0 0 4 10,-1.6 -161,-0.4 -2,-0.6 3,-0.2 -0.565 22.6-137.3-102.4 170.6 8.5 0.3 37.9 179 179 A S S S+ 0 0 8 -2,-0.2 -160,-3.0 -20,-0.2 -159,-0.4 -0.205 73.9 101.1-121.9 40.8 6.6 -0.4 41.2 180 180 A W B S-I 18 0B 59 1,-0.4 3,-0.3 8,-0.3 -162,-0.2 0.070 89.7-100.7-110.8 21.9 9.5 -1.4 43.5 181 181 A G > - 0 0 8 -164,-2.1 3,-0.9 1,-0.2 -1,-0.4 -0.078 43.4 -67.8 85.4 172.7 9.9 1.9 45.3 182 182 A Q T 3 S+ 0 0 116 1,-0.2 5,-0.4 -166,-0.2 6,-0.3 0.601 121.5 70.3 -77.4 -13.1 12.3 4.7 44.9 183 183 A N T 3 S+ 0 0 173 -3,-0.3 2,-0.4 4,-0.2 -1,-0.2 0.451 86.8 80.7 -84.8 0.0 15.3 2.7 46.1 184 184 A W S <> S- 0 0 27 -3,-0.9 4,-2.5 2,-0.1 5,-0.1 -0.847 101.2 -26.1-107.6 145.1 15.3 0.6 43.0 185 185 A G T 4 S- 0 0 21 -42,-0.8 2,-1.2 -2,-0.4 5,-0.2 -0.187 122.6 -16.0 56.7-144.4 16.9 1.7 39.7 186 186 A N B >4 S-H 189 0A 57 3,-2.7 3,-1.7 1,-0.2 -1,-0.2 -0.741 129.5 -44.7 -97.2 87.8 17.1 5.4 39.0 187 187 A Q T 34 S- 0 0 136 -2,-1.2 -1,-0.2 -5,-0.4 -2,-0.2 0.840 121.2 -43.0 55.8 36.7 14.7 6.7 41.6 188 188 A G T 3< S+ 0 0 0 -4,-2.5 -10,-1.6 1,-0.3 -8,-0.3 0.242 122.0 98.0 98.4 -13.5 12.2 4.0 40.7 189 189 A Y E < -HG 186 177A 18 -3,-1.7 -3,-2.7 -12,-0.2 2,-0.4 -0.686 51.9-156.9-108.5 161.0 12.6 4.2 36.9 190 190 A I E - G 0 176A 0 -14,-2.1 -14,-2.7 -2,-0.2 2,-0.6 -1.000 12.0-142.8-138.0 135.1 14.6 2.3 34.3 191 191 A W E -eG 147 175A 47 -45,-0.7 -43,-3.3 -2,-0.4 2,-0.4 -0.887 25.7-167.3 -95.1 119.9 15.7 3.5 30.8 192 192 A M E -eG 148 174A 0 -18,-2.3 -18,-2.4 -2,-0.6 -43,-0.2 -0.906 26.9-102.5-114.5 139.4 15.5 0.5 28.4 193 193 A E E - G 0 173A 48 -45,-2.5 9,-0.4 -2,-0.4 -20,-0.3 -0.289 39.3-152.8 -59.4 139.0 17.0 0.4 24.9 194 194 A R + 0 0 10 -22,-2.2 -22,-0.4 1,-0.2 -1,-0.1 -0.795 64.8 28.9-114.7 154.6 14.4 0.9 22.2 195 195 A N S S+ 0 0 67 -2,-0.3 -1,-0.2 1,-0.1 -23,-0.1 0.932 76.9 169.6 62.2 51.1 14.3 -0.4 18.6 196 196 A V - 0 0 35 -3,-0.2 -79,-0.1 2,-0.2 -1,-0.1 -0.333 48.0-101.6 -84.5 171.8 16.4 -3.5 19.2 197 197 A A S S+ 0 0 109 -2,-0.1 2,-0.2 3,-0.1 -1,-0.1 0.885 99.2 82.1 -62.7 -42.7 16.8 -6.3 16.6 198 198 A S S > S- 0 0 66 1,-0.1 3,-1.5 2,-0.1 -2,-0.2 -0.459 75.6-141.2 -68.2 132.9 14.3 -8.7 18.2 199 199 A S T 3 S+ 0 0 87 1,-0.3 -82,-0.2 -2,-0.2 -1,-0.1 0.737 100.3 64.8 -66.2 -21.7 10.6 -7.9 17.3 200 200 A A T 3 S- 0 0 13 1,-0.2 6,-2.3 -84,-0.1 7,-0.5 0.637 106.6-131.2 -75.9 -12.9 9.6 -8.7 20.8 201 201 A G X - 0 0 4 -3,-1.5 3,-2.1 4,-0.2 2,-0.2 -0.033 45.9 -33.6 83.2 167.5 11.6 -5.8 22.1 202 202 A L G > S- 0 0 21 -9,-0.4 3,-1.6 1,-0.3 -49,-0.1 -0.417 135.7 -4.7 -63.8 127.8 14.1 -5.7 24.9 203 203 A c G 3 S- 0 0 5 -51,-0.3 -69,-1.4 1,-0.3 -1,-0.3 0.735 127.7 -69.4 59.1 23.3 13.0 -8.1 27.7 204 204 A G G X S+ 0 0 0 -3,-2.1 3,-1.6 -71,-0.2 4,-0.4 0.743 88.1 151.0 69.3 26.4 9.9 -8.7 25.6 205 205 A I T < + 0 0 0 -3,-1.6 -73,-0.3 1,-0.3 3,-0.3 0.735 68.7 51.3 -62.2 -24.2 8.5 -5.2 26.3 206 206 A A T 3 S+ 0 0 0 -6,-2.3 -91,-2.3 1,-0.2 -90,-0.5 0.389 85.7 90.9 -95.8 5.8 6.7 -5.0 23.0 207 207 A Q S < S+ 0 0 41 -3,-1.6 -1,-0.2 -7,-0.5 -2,-0.1 0.856 100.2 10.0 -70.2 -38.7 4.9 -8.4 23.3 208 208 A L S S+ 0 0 45 -4,-0.4 2,-0.2 -3,-0.3 -1,-0.2 -0.416 74.6 165.9-145.0 66.5 1.6 -7.3 25.1 209 209 A P + 0 0 1 0, 0.0 -97,-2.0 0, 0.0 2,-0.3 -0.594 6.0 158.9 -86.7 144.4 1.0 -3.6 25.3 210 210 A S E -BD 111 130A 2 -80,-2.1 -80,-2.3 -2,-0.2 -99,-0.2 -0.983 15.3-167.5-156.0 157.6 -2.4 -2.1 26.2 211 211 A Y E -B 110 0A 51 -101,-2.1 -101,-2.8 -2,-0.3 2,-0.2 -0.996 25.5-107.6-150.1 151.5 -3.8 1.2 27.5 212 212 A P E -B 109 0A 0 0, 0.0 2,-0.4 0, 0.0 -103,-0.3 -0.487 29.5-144.9 -79.7 149.0 -7.1 2.5 28.9 213 213 A T E -B 108 0A 38 -105,-2.9 -106,-2.5 -2,-0.2 -105,-1.3 -0.881 15.6-178.0-116.1 148.2 -9.3 4.9 26.9 214 214 A K 0 0 33 -2,-0.4 -108,-0.1 -108,-0.2 -105,-0.0 -0.920 360.0 360.0-147.1 113.8 -11.4 7.7 28.2 215 215 A A 0 0 126 -2,-0.3 -2,-0.0 -174,-0.0 -109,-0.0 -0.376 360.0 360.0 -71.0 360.0 -13.6 9.8 25.8