==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METALLOENDOPEPTIDASE 16-OCT-97 4AIG . COMPND 2 MOLECULE: ADAMALYSIN II; . SOURCE 2 ORGANISM_SCIENTIFIC: CROTALUS ADAMANTEUS; . AUTHOR G.POCHETTI,F.MAZZA,E.GAVUZZO,M.CIRILLI . 202 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9672.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 3.5 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 . 16 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.0 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 1 0 0 0 0 0 0 0 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 2 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 PARALLEL BRIDGES PER LADDER . 0 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 . 0 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 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 2 A N 0 0 169 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -76.8 4.6 23.8 13.3 2 3 A L - 0 0 21 3,-0.0 2,-0.1 46,-0.0 3,-0.1 -0.864 360.0-145.6-103.1 113.0 6.2 22.9 16.7 3 4 A P - 0 0 51 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.403 33.3 -86.6 -75.9 157.7 4.7 24.7 19.7 4 5 A Q + 0 0 73 -2,-0.1 2,-0.3 44,-0.1 44,-0.2 -0.435 53.7 176.3 -69.1 124.1 6.9 25.8 22.6 5 6 A R E -a 48 0A 56 42,-2.2 44,-1.9 -2,-0.2 2,-0.4 -0.855 16.9-148.7-125.2 165.2 7.2 23.0 25.2 6 7 A Y E -a 49 0A 36 191,-2.5 2,-0.6 -2,-0.3 44,-0.2 -0.989 0.6-155.7-139.7 128.3 9.2 22.7 28.5 7 8 A I E -a 50 0A 1 42,-2.5 44,-2.7 -2,-0.4 2,-0.9 -0.926 7.4-153.3-109.1 114.5 10.7 19.6 30.2 8 9 A E E -a 51 0A 5 -2,-0.6 84,-2.8 42,-0.2 85,-1.3 -0.825 27.7-164.2 -80.1 102.8 11.2 19.8 33.9 9 10 A L E -ab 52 93A 0 42,-3.1 44,-2.5 -2,-0.9 45,-1.1 -0.779 19.6-165.1-101.0 136.2 14.1 17.3 34.3 10 11 A V E -ab 54 94A 2 83,-2.2 85,-2.3 -2,-0.4 2,-0.4 -0.962 11.2-161.3-111.1 129.0 15.5 15.5 37.4 11 12 A V E -ab 55 95A 2 43,-2.1 45,-2.8 -2,-0.4 2,-0.5 -0.943 2.0-164.3-110.2 135.4 18.9 13.9 37.1 12 13 A V E -ab 56 96A 0 83,-2.4 85,-3.4 -2,-0.4 2,-0.5 -0.993 1.5-162.5-119.1 122.7 20.1 11.3 39.5 13 14 A A E -ab 57 97A 0 43,-3.0 45,-3.0 -2,-0.5 85,-0.2 -0.926 18.0-138.7-103.1 133.8 23.7 10.3 39.8 14 15 A D > - 0 0 0 83,-2.0 4,-2.1 -2,-0.5 5,-0.1 -0.112 28.7 -91.7 -86.1 179.1 24.5 7.0 41.5 15 16 A R H > S+ 0 0 84 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.874 124.0 56.3 -52.7 -46.1 27.2 5.9 44.0 16 17 A R H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.920 109.5 45.7 -60.7 -38.5 29.5 4.7 41.2 17 18 A V H > S+ 0 0 1 80,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.892 111.4 53.5 -66.4 -38.2 29.3 8.2 39.6 18 19 A F H <>S+ 0 0 22 -4,-2.1 5,-2.3 1,-0.2 6,-0.5 0.954 114.3 40.7 -63.0 -45.0 29.9 9.7 43.0 19 20 A M H ><5S+ 0 0 105 -4,-2.9 3,-1.8 1,-0.2 -1,-0.2 0.881 109.1 59.9 -70.5 -40.0 33.1 7.6 43.6 20 21 A K H 3<5S+ 0 0 110 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.844 105.5 49.7 -58.9 -33.6 34.3 8.1 40.0 21 22 A Y T ><5S- 0 0 39 -4,-1.6 3,-1.2 -3,-0.2 -1,-0.3 -0.013 126.0 -98.6-101.2 35.0 34.4 11.8 40.5 22 23 A N T < 5 - 0 0 134 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.828 67.1 -71.2 58.8 36.0 36.4 11.6 43.8 23 24 A S T 3 - 0 0 49 -3,-1.2 4,-1.7 -6,-0.5 3,-0.3 -0.841 33.7-170.8-107.7 106.9 33.1 15.6 44.8 25 26 A L H > S+ 0 0 82 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.862 85.8 55.2 -57.4 -43.9 29.7 17.2 44.7 26 27 A N H > S+ 0 0 116 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.852 107.1 48.4 -62.4 -40.6 30.9 20.4 42.9 27 28 A I H > S+ 0 0 79 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.898 112.9 47.5 -69.8 -39.9 32.4 18.5 40.0 28 29 A I H X S+ 0 0 3 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.932 111.7 50.9 -68.8 -40.5 29.4 16.4 39.4 29 30 A R H X S+ 0 0 140 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.914 112.0 46.7 -61.6 -46.3 27.1 19.4 39.6 30 31 A T H X S+ 0 0 75 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.910 111.8 51.0 -61.8 -44.6 29.2 21.3 37.1 31 32 A R H X S+ 0 0 20 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.932 112.8 45.5 -58.8 -48.7 29.3 18.3 34.7 32 33 A V H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.928 110.5 53.3 -65.2 -41.4 25.5 17.8 34.8 33 34 A H H X S+ 0 0 68 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.888 111.1 47.1 -59.5 -37.8 24.8 21.5 34.3 34 35 A E H X S+ 0 0 84 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.864 109.5 53.4 -73.1 -36.9 27.0 21.5 31.2 35 36 A I H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.921 108.8 49.6 -63.1 -39.6 25.4 18.4 29.9 36 37 A V H X S+ 0 0 8 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.868 107.2 54.9 -69.4 -35.4 21.9 20.0 30.2 37 38 A N H X S+ 0 0 96 -4,-1.7 4,-1.2 -5,-0.2 -1,-0.2 0.898 109.8 46.6 -60.5 -44.0 23.2 23.1 28.4 38 39 A I H X S+ 0 0 26 -4,-1.7 4,-1.8 2,-0.2 3,-0.2 0.900 109.2 54.3 -67.3 -37.6 24.3 21.0 25.5 39 40 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.919 105.4 54.2 -62.7 -40.2 21.0 19.1 25.5 40 41 A N H X S+ 0 0 43 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.818 104.0 55.9 -62.4 -32.9 19.2 22.4 25.2 41 42 A E H >< S+ 0 0 132 -4,-1.2 3,-0.6 -3,-0.2 4,-0.4 0.933 109.6 45.3 -62.2 -45.6 21.3 23.2 22.2 42 43 A F H >< S+ 0 0 15 -4,-1.8 3,-0.6 1,-0.2 135,-0.4 0.898 115.6 47.0 -63.3 -41.5 20.0 20.0 20.5 43 44 A Y H ><>S+ 0 0 0 -4,-2.3 5,-2.0 1,-0.2 3,-1.0 0.529 85.9 88.6 -87.2 -3.3 16.4 20.6 21.5 44 45 A R G X<5S+ 0 0 187 -4,-0.9 3,-1.4 -3,-0.6 -1,-0.2 0.882 85.5 55.3 -60.1 -38.6 16.2 24.2 20.4 45 46 A S G < 5S+ 0 0 53 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.1 0.698 106.4 51.0 -70.5 -19.6 15.2 23.2 16.9 46 47 A L G < 5S- 0 0 0 -3,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.427 115.2-117.8 -93.6 1.6 12.3 21.2 18.3 47 48 A N T < 5 + 0 0 62 -3,-1.4 -42,-2.2 -4,-0.3 2,-0.5 0.764 69.4 136.8 62.9 33.3 11.2 24.3 20.4 48 49 A I E < -a 5 0A 7 -5,-2.0 2,-0.5 -44,-0.2 -1,-0.2 -0.909 40.7-158.9-111.7 128.9 11.7 22.4 23.6 49 50 A R E -a 6 0A 102 -44,-1.9 -42,-2.5 -2,-0.5 2,-0.6 -0.963 8.5-155.6-103.7 119.3 13.4 24.0 26.7 50 51 A V E -a 7 0A 2 -2,-0.5 2,-0.4 -44,-0.2 -42,-0.2 -0.881 11.3-169.7 -95.0 115.6 14.9 21.5 29.2 51 52 A S E -a 8 0A 20 -44,-2.7 -42,-3.1 -2,-0.6 2,-1.0 -0.887 23.8-128.0-105.9 138.8 15.2 22.9 32.7 52 53 A L E +a 9 0A 48 -2,-0.4 -42,-0.2 1,-0.2 3,-0.1 -0.729 29.3 175.8 -85.9 101.0 17.1 21.1 35.5 53 54 A T E - 0 0 32 -44,-2.5 2,-0.3 -2,-1.0 -43,-0.2 0.805 65.1 -6.5 -72.3 -36.1 14.5 21.0 38.4 54 55 A D E -a 10 0A 36 -45,-1.1 -43,-2.1 2,-0.0 2,-0.5 -0.972 52.2-148.9-164.4 142.0 16.7 18.9 40.7 55 56 A L E -a 11 0A 34 -2,-0.3 2,-0.5 -45,-0.2 -43,-0.2 -0.989 16.6-167.2-119.1 117.6 20.0 17.0 40.9 56 57 A E E -a 12 0A 70 -45,-2.8 -43,-3.0 -2,-0.5 2,-0.5 -0.905 1.4-169.8-103.3 132.6 20.1 14.0 43.2 57 58 A I E -a 13 0A 23 -2,-0.5 2,-1.9 -45,-0.2 3,-0.2 -0.987 19.4-141.7-124.2 117.1 23.5 12.5 44.0 58 59 A W + 0 0 11 -45,-3.0 -40,-0.2 -2,-0.5 4,-0.0 -0.560 41.2 152.9 -80.8 80.1 23.5 9.1 45.8 59 60 A S S S+ 0 0 58 -2,-1.9 -1,-0.2 -41,-0.1 3,-0.1 0.645 71.3 38.8 -84.0 -19.7 26.4 9.9 48.1 60 61 A G S S- 0 0 57 1,-0.4 2,-0.3 -3,-0.2 -2,-0.1 0.878 128.4 -29.3 -94.0 -74.6 25.3 7.6 50.9 61 62 A Q - 0 0 132 -47,-0.0 -1,-0.4 -46,-0.0 2,-0.1 -0.954 66.6 -96.8-138.7 160.3 23.8 4.5 49.3 62 63 A D - 0 0 37 -2,-0.3 -48,-0.1 1,-0.1 3,-0.1 -0.482 22.0-149.4 -71.2 145.2 22.0 3.7 46.1 63 64 A F S S+ 0 0 113 -2,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.438 85.4 35.8-102.1 -1.5 18.2 3.7 46.3 64 65 A I S S- 0 0 17 16,-0.0 2,-0.9 0, 0.0 9,-0.1 -0.937 95.6-106.6-129.2 161.9 17.8 1.1 43.6 65 66 A T - 0 0 108 -2,-0.3 2,-0.4 -3,-0.1 11,-0.1 -0.803 34.2-144.2 -88.0 104.1 20.2 -1.8 42.9 66 67 A I - 0 0 6 -2,-0.9 2,-0.3 10,-0.1 4,-0.1 -0.661 25.4-171.4 -68.2 125.4 22.1 -0.8 39.8 67 68 A Q - 0 0 70 -2,-0.4 6,-0.2 2,-0.3 33,-0.1 -0.812 39.0-114.0-120.2 163.6 22.7 -4.0 37.7 68 69 A S S S+ 0 0 56 -2,-0.3 35,-2.8 34,-0.1 2,-0.7 0.746 101.3 82.7 -69.0 -21.8 24.6 -4.9 34.6 69 70 A S > - 0 0 22 33,-0.2 4,-2.2 1,-0.2 -2,-0.3 -0.751 67.3-163.4 -81.2 112.0 21.3 -5.6 32.9 70 71 A S H > S+ 0 0 10 -2,-0.7 4,-2.7 33,-0.3 5,-0.2 0.790 87.3 60.6 -68.7 -25.4 20.1 -2.2 31.7 71 72 A S H > S+ 0 0 65 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.926 108.6 41.2 -66.2 -49.2 16.5 -3.6 31.3 72 73 A N H > S+ 0 0 74 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.914 115.6 51.3 -62.7 -47.1 16.3 -4.5 35.0 73 74 A T H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.920 110.2 49.0 -55.8 -45.6 18.0 -1.2 36.0 74 75 A L H X S+ 0 0 6 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.917 111.0 51.1 -62.5 -40.7 15.5 0.8 33.9 75 76 A N H X S+ 0 0 83 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.942 112.3 44.9 -61.4 -50.8 12.6 -1.1 35.4 76 77 A S H X S+ 0 0 40 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.883 111.1 53.5 -61.6 -41.4 13.7 -0.4 39.0 77 78 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.898 106.9 52.4 -64.1 -40.4 14.5 3.2 38.3 78 79 A G H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.906 109.9 48.0 -59.7 -44.2 11.0 3.7 37.0 79 80 A E H X S+ 0 0 85 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.882 111.7 50.3 -62.4 -42.3 9.4 2.2 40.1 80 81 A W H X>S+ 0 0 11 -4,-2.2 4,-2.7 2,-0.2 5,-1.2 0.897 108.9 52.2 -66.2 -37.8 11.6 4.4 42.3 81 82 A R H <>S+ 0 0 4 -4,-2.5 5,-2.8 3,-0.2 6,-0.2 0.930 113.7 42.8 -63.8 -45.9 10.6 7.5 40.4 82 83 A E H <5S+ 0 0 83 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.919 122.8 37.2 -64.0 -44.8 6.9 6.9 40.8 83 84 A R H <5S+ 0 0 135 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.802 134.7 13.8 -83.0 -30.2 7.0 5.8 44.4 84 85 A V T <5S+ 0 0 51 -4,-2.7 -3,-0.2 -5,-0.2 4,-0.2 0.836 127.0 38.5-114.9 -49.9 9.7 8.2 45.8 85 86 A L T > - 0 0 2 -2,-0.9 3,-0.5 4,-0.5 -33,-0.2 -0.434 17.4-112.1 -68.7 149.6 26.1 -2.6 31.3 103 104 A E G > S+ 0 0 121 -35,-2.8 3,-0.7 1,-0.2 -33,-0.3 -0.421 96.3 37.0 -80.1 152.2 26.2 -5.9 29.5 104 105 A G G 3 S- 0 0 56 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.0 0.731 125.6 -77.3 80.0 24.0 25.7 -6.1 25.7 105 106 A K G < S+ 0 0 160 -3,-0.5 2,-0.4 1,-0.2 -1,-0.2 0.763 80.7 164.7 55.5 29.6 27.6 -2.8 25.1 106 107 A I < + 0 0 31 -3,-0.7 -4,-0.5 1,-0.1 -1,-0.2 -0.631 20.6 170.7 -78.0 129.5 24.5 -0.8 26.2 107 108 A I + 0 0 7 96,-2.8 19,-2.5 -2,-0.4 2,-0.3 0.416 68.0 8.9-115.1 0.4 25.2 2.9 27.0 108 109 A G E -D 125 0A 3 95,-1.0 -1,-0.3 17,-0.2 2,-0.3 -0.962 55.3-174.5-171.3 155.6 21.6 4.0 27.4 109 110 A K E +D 124 0A 77 15,-2.0 15,-2.8 -2,-0.3 2,-0.3 -0.976 10.6 162.7-157.6 143.8 18.0 2.8 27.7 110 111 A A E -D 123 0A 17 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.977 38.8-101.7-154.9 158.2 14.5 4.3 27.9 111 112 A Y - 0 0 56 11,-1.1 3,-0.4 9,-0.4 2,-0.3 -0.674 43.6-119.0 -77.3 146.9 10.8 3.6 27.4 112 113 A T S S- 0 0 70 -2,-0.3 34,-0.3 1,-0.2 33,-0.1 -0.687 83.2 -2.1 -93.6 142.0 9.3 4.8 24.2 113 114 A S S S+ 0 0 41 32,-2.2 -1,-0.2 -2,-0.3 34,-0.2 0.896 93.1 124.7 51.0 54.3 6.5 7.4 23.9 114 115 A S > + 0 0 9 32,-1.2 3,-2.1 -3,-0.4 6,-0.2 0.276 21.2 145.4-127.8 5.2 6.3 7.6 27.7 115 116 A M T 3 S+ 0 0 9 31,-2.0 -22,-0.1 1,-0.3 81,-0.1 -0.281 77.6 12.2 -56.9 126.9 6.7 11.3 28.4 116 117 A a T 3 S+ 0 0 39 -24,-0.9 -1,-0.3 1,-0.3 5,-0.1 0.109 90.0 134.5 89.2 -13.4 4.5 12.3 31.5 117 118 A N <> - 0 0 73 -3,-2.1 4,-1.5 1,-0.1 -1,-0.3 -0.448 60.0-130.2 -66.9 133.2 3.8 8.7 32.5 118 119 A P T 4 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -32,-0.1 0.893 100.7 20.5 -55.1 -41.5 4.3 8.2 36.3 119 120 A R T 4 S+ 0 0 95 1,-0.1 -38,-0.2 -38,-0.1 -37,-0.2 0.735 127.9 44.3 -98.5 -27.8 6.5 5.1 36.0 120 121 A S T 4 S+ 0 0 15 -6,-0.2 2,-1.8 1,-0.2 -9,-0.4 0.405 76.4 99.3-109.2 1.5 7.9 5.2 32.5 121 122 A S S < S+ 0 0 0 -4,-1.5 -27,-1.7 -43,-0.1 2,-0.3 -0.388 72.1 94.1 -84.4 60.8 8.9 8.8 32.0 122 123 A V E -c 94 0A 0 -2,-1.8 -11,-1.1 -29,-0.2 2,-0.3 -0.944 49.5-171.1-145.0 161.2 12.5 7.9 32.7 123 124 A G E -cD 95 110A 0 -29,-1.6 -27,-2.3 -2,-0.3 2,-0.4 -0.944 16.6-134.4-148.2 164.0 15.7 6.9 31.0 124 125 A I E -cD 96 109A 0 -15,-2.8 -15,-2.0 -2,-0.3 2,-0.4 -0.985 17.7-169.0-126.8 141.1 19.1 5.6 32.1 125 126 A V E -cD 97 108A 0 -29,-3.2 -27,-2.3 -2,-0.4 2,-0.4 -0.991 16.7-137.3-135.9 122.6 22.5 6.8 30.8 126 127 A K E -c 98 0A 38 -19,-2.5 2,-2.3 -2,-0.4 -27,-0.2 -0.660 20.3-130.5 -76.4 131.9 26.0 5.4 31.2 127 128 A D + 0 0 3 -29,-2.8 -1,-0.1 -2,-0.4 8,-0.1 -0.500 52.8 155.9 -75.2 71.8 28.6 8.0 32.0 128 129 A H + 0 0 45 -2,-2.3 -1,-0.2 -21,-0.2 -29,-0.0 0.420 48.3 37.4 -91.6 -4.8 30.6 6.3 29.1 129 130 A S - 0 0 15 -3,-0.1 6,-0.1 2,-0.1 -1,-0.0 -0.998 65.6-133.5-149.7 144.2 32.9 9.1 28.0 130 131 A P S S+ 0 0 111 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.690 85.3 93.7 -67.7 -19.3 35.0 11.9 29.5 131 132 A I >> - 0 0 94 1,-0.1 4,-1.4 -3,-0.0 3,-0.7 -0.680 69.5-149.1 -83.6 122.4 33.6 14.3 26.8 132 133 A N H 3> S+ 0 0 36 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.856 95.2 59.7 -54.0 -44.5 30.5 16.2 27.9 133 134 A L H 3> S+ 0 0 44 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.871 104.4 48.9 -54.5 -42.7 29.2 16.3 24.3 134 135 A L H <> S+ 0 0 25 -3,-0.7 4,-1.2 2,-0.2 -1,-0.2 0.832 113.0 44.2 -73.4 -37.4 29.0 12.5 24.0 135 136 A V H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.867 112.6 54.9 -71.0 -34.4 27.2 11.8 27.3 136 137 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.2 5,-0.2 0.913 105.5 51.6 -64.1 -42.2 24.8 14.7 26.4 137 138 A V H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.878 108.8 51.6 -61.8 -38.3 24.0 13.1 23.1 138 139 A T H X S+ 0 0 0 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.918 112.7 44.7 -66.4 -39.1 23.2 9.8 24.9 139 140 A M H X S+ 0 0 3 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.916 112.4 50.7 -74.4 -37.5 20.8 11.6 27.3 140 141 A A H X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.874 110.8 52.2 -64.0 -32.9 19.2 13.6 24.5 141 142 A H H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.915 109.8 45.7 -68.0 -47.1 18.8 10.3 22.6 142 143 A E H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.919 112.7 50.4 -67.6 -39.4 17.1 8.6 25.6 143 144 A L H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.874 106.1 59.3 -57.7 -39.8 14.9 11.6 26.1 144 145 A G H <>S+ 0 0 0 -4,-1.7 5,-2.4 -5,-0.2 3,-0.4 0.919 103.8 48.6 -57.1 -47.6 14.2 11.3 22.4 145 146 A H H ><5S+ 0 0 21 -4,-2.0 -32,-2.2 1,-0.2 3,-1.7 0.881 107.2 55.4 -57.3 -42.1 12.8 7.8 22.9 146 147 A N H 3<5S+ 0 0 0 -4,-1.8 -31,-2.0 1,-0.3 -32,-1.2 0.784 106.8 53.0 -58.8 -33.4 10.6 9.0 25.8 147 148 A L T 3<5S- 0 0 2 -4,-1.3 -1,-0.3 -3,-0.4 41,-0.3 0.151 127.8 -97.7 -91.8 12.4 9.2 11.6 23.3 148 149 A G T < 5S+ 0 0 1 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.465 71.1 149.7 92.8 2.1 8.3 9.0 20.7 149 150 A M < - 0 0 0 -5,-2.4 -1,-0.3 -6,-0.2 2,-0.2 -0.421 26.8-161.8 -70.0 137.2 11.3 9.2 18.4 150 151 A E - 0 0 93 30,-0.1 34,-0.1 1,-0.1 15,-0.1 -0.635 34.2 -70.3-104.3 178.1 12.4 6.1 16.6 151 152 A H - 0 0 81 -2,-0.2 15,-0.2 1,-0.1 -1,-0.1 -0.277 37.6-138.6 -71.2 150.4 15.8 5.4 15.0 152 153 A D - 0 0 14 13,-2.1 -1,-0.1 1,-0.2 2,-0.1 -0.327 46.9 -65.7 -84.8-177.4 17.3 7.0 11.8 153 154 A G > - 0 0 49 -2,-0.1 3,-2.1 1,-0.1 -1,-0.2 -0.372 51.6-107.4 -68.7 152.5 19.2 5.2 9.2 154 155 A K T 3 S+ 0 0 170 1,-0.3 14,-0.1 12,-0.1 -1,-0.1 0.732 120.3 37.9 -55.1 -24.9 22.6 3.7 10.2 155 156 A D T 3 S+ 0 0 141 2,-0.1 -1,-0.3 7,-0.0 2,-0.1 0.010 83.9 158.3-119.1 32.5 24.4 6.4 8.2 156 157 A b < + 0 0 26 -3,-2.1 7,-1.7 7,-0.1 2,-0.3 -0.293 12.2 175.2 -63.7 127.7 22.1 9.3 8.9 157 158 A L E -E 162 0B 109 5,-0.2 2,-0.2 -2,-0.1 5,-0.2 -0.957 27.8-162.6-130.0 147.1 23.6 12.8 8.5 158 159 A R E > S-E 161 0B 87 3,-2.4 3,-0.8 -2,-0.3 2,-0.5 -0.674 75.8 -62.9-120.4 73.2 22.2 16.2 8.6 159 160 A G T 3 S- 0 0 65 -2,-0.2 -1,-0.1 1,-0.2 0, 0.0 -0.740 119.3 -12.1 82.6-127.6 25.0 18.0 6.8 160 161 A A T 3 S+ 0 0 95 -2,-0.5 2,-0.3 -3,-0.1 -1,-0.2 0.555 121.9 97.2 -78.8 -6.9 28.2 17.7 8.8 161 162 A S E < S-E 158 0B 13 -3,-0.8 -3,-2.4 12,-0.1 2,-0.3 -0.596 73.5-129.5 -94.7 138.5 26.2 16.4 11.7 162 163 A L E -Ef 157 175B 21 12,-2.4 14,-2.2 -2,-0.3 2,-0.3 -0.646 38.4-109.2 -72.8 137.8 25.6 12.9 12.9 163 164 A b E > - f 0 176B 3 -7,-1.7 3,-1.6 -2,-0.3 14,-0.2 -0.595 19.9-137.8 -70.9 130.7 21.9 12.3 13.5 164 165 A I T 3 S+ 0 0 3 12,-2.0 13,-0.1 -2,-0.3 -1,-0.1 0.906 99.4 54.7 -59.5 -35.6 21.2 12.0 17.2 165 166 A M T 3 S+ 0 0 0 11,-0.2 -13,-2.1 -15,-0.1 -1,-0.3 0.184 72.5 137.1 -94.4 22.4 18.7 9.1 16.7 166 167 A R < - 0 0 20 -3,-1.6 -12,-0.1 -15,-0.2 -13,-0.1 -0.301 69.1-110.5 -57.9 147.8 21.1 6.9 14.7 167 168 A P S S+ 0 0 40 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.601 96.8 22.1 -66.8 -16.2 20.7 3.3 16.0 168 169 A G S S- 0 0 29 35,-0.2 2,-0.5 -14,-0.1 -2,-0.1 -0.948 88.8 -98.0-143.6 164.3 24.2 3.3 17.5 169 170 A L - 0 0 19 -2,-0.3 -5,-0.0 -4,-0.1 -4,-0.0 -0.785 32.6-177.0 -91.3 123.9 26.7 5.8 18.8 170 171 A T - 0 0 67 -2,-0.5 -8,-0.1 -4,-0.0 -4,-0.1 -0.985 32.8-114.1-114.2 124.8 29.6 6.9 16.5 171 172 A P + 0 0 99 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.217 56.4 134.3 -55.2 142.4 32.1 9.3 17.9 172 173 A G - 0 0 27 1,-0.0 3,-0.1 -10,-0.0 -11,-0.1 -0.975 59.3-104.4-176.5-177.0 32.1 12.7 16.2 173 174 A R S S+ 0 0 224 -2,-0.3 2,-0.3 -13,-0.2 -12,-0.1 0.545 92.3 32.3-109.2 -11.2 32.2 16.4 16.6 174 175 A S - 0 0 40 -14,-0.2 -12,-2.4 2,-0.0 2,-0.3 -0.996 58.6-177.8-155.7 141.2 28.6 17.6 15.8 175 176 A Y E +f 162 0B 13 -2,-0.3 2,-0.3 -14,-0.3 -12,-0.2 -0.978 7.6 158.4-141.6 145.6 25.1 16.1 16.4 176 177 A E E -f 163 0B 61 -14,-2.2 -12,-2.0 -2,-0.3 2,-0.3 -0.977 41.6 -87.8-165.9 163.6 21.5 17.0 15.6 177 178 A F - 0 0 1 -135,-0.4 -14,-0.1 -2,-0.3 -16,-0.0 -0.594 41.0-131.5 -74.2 130.0 18.0 15.7 15.2 178 179 A S > - 0 0 9 -2,-0.3 4,-1.5 1,-0.1 -1,-0.1 -0.078 27.3-104.5 -62.9 173.7 17.0 14.6 11.7 179 180 A D H > S+ 0 0 108 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.854 123.2 58.1 -70.4 -32.7 13.7 15.8 10.1 180 181 A D H > S+ 0 0 102 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.884 102.7 51.9 -62.4 -41.5 12.4 12.3 10.8 181 182 A S H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.926 109.3 50.4 -61.9 -43.9 13.0 12.7 14.5 182 183 A M H X S+ 0 0 31 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.915 111.5 49.1 -59.2 -37.1 11.1 16.0 14.4 183 184 A G H X S+ 0 0 37 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.885 108.3 52.0 -73.4 -36.6 8.2 14.2 12.6 184 185 A Y H X S+ 0 0 65 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.899 111.6 47.8 -65.0 -39.1 8.1 11.4 15.1 185 186 A Y H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.834 108.6 53.2 -71.8 -34.5 7.9 13.9 17.9 186 187 A Q H X S+ 0 0 49 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.924 108.9 50.1 -67.4 -37.6 5.1 15.9 16.2 187 188 A K H X S+ 0 0 84 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.887 111.1 49.2 -67.7 -34.8 3.1 12.7 15.8 188 189 A F H X>S+ 0 0 5 -4,-1.7 4,-2.3 -41,-0.3 5,-0.6 0.935 110.0 51.3 -67.4 -46.2 3.6 12.0 19.6 189 190 A L H X5S+ 0 0 10 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.898 117.1 39.0 -56.0 -43.4 2.6 15.5 20.5 190 191 A N H <5S+ 0 0 98 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.838 116.8 48.6 -81.2 -33.6 -0.6 15.2 18.5 191 192 A Q H <5S+ 0 0 125 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.847 130.6 16.3 -77.2 -34.6 -1.5 11.6 19.3 192 193 A Y H <5S- 0 0 135 -4,-2.3 3,-0.2 -5,-0.2 -3,-0.2 0.596 81.9-150.2-114.2 -19.8 -1.1 11.8 23.1 193 194 A K << - 0 0 133 -4,-1.3 2,-0.5 -5,-0.6 -4,-0.1 0.915 17.5-150.4 41.4 61.5 -1.1 15.5 23.7 194 195 A P > - 0 0 14 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 -0.433 14.3-170.8 -67.0 110.5 1.1 15.2 26.8 195 196 A Q G > S+ 0 0 151 -2,-0.5 3,-1.6 -3,-0.2 4,-0.4 0.644 72.8 75.1 -82.2 -14.0 0.1 18.1 29.0 196 197 A a G 3 S+ 0 0 36 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.807 92.3 60.0 -66.9 -15.3 2.9 17.8 31.7 197 198 A I G < S+ 0 0 4 -3,-0.6 -191,-2.5 1,-0.2 -1,-0.3 0.426 90.2 74.4 -98.2 11.3 5.1 19.4 29.0 198 199 A L < + 0 0 81 -3,-1.6 -1,-0.2 -193,-0.2 -2,-0.2 0.803 69.8 90.1 -91.4 -41.0 3.0 22.5 28.8 199 200 A N S S- 0 0 51 -3,-0.4 -193,-0.1 -4,-0.4 -194,-0.0 -0.408 72.0-129.7 -74.4 136.9 3.8 24.5 31.9 200 201 A K 0 0 143 -2,-0.1 -1,-0.1 -195,-0.0 -2,-0.1 -0.763 360.0 360.0 -82.6 123.2 6.6 27.0 31.9 201 202 A P 0 0 84 0, 0.0 -194,-0.0 0, 0.0 -1,-0.0 -0.429 360.0 360.0 -67.9 360.0 9.0 26.5 34.9 202 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 203 400 A X 0 0 167 0, 0.0 -96,-2.8 0, 0.0 -95,-1.0 0.000 360.0 360.0 360.0 360.0 23.8 0.5 21.8