==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-FEB-06 2DDY . COMPND 2 MOLECULE: MATRILYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.H.ZHENG,L.OU . 171 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10407.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 77 45.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.3 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 . 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 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 19.9 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+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 0 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 S 0 0 68 0, 0.0 2,-0.5 0, 0.0 129,-0.0 0.000 360.0 360.0 360.0 75.5 -6.0 -4.5 12.8 2 3 A L + 0 0 144 126,-0.0 125,-0.1 2,-0.0 126,-0.0 -0.951 360.0 162.8-112.9 128.7 -8.6 -2.2 14.4 3 4 A F - 0 0 102 -2,-0.5 2,-1.1 2,-0.3 0, 0.0 -0.947 52.1-102.5-144.6 156.6 -8.3 1.6 14.1 4 5 A P S S+ 0 0 128 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.013 94.1 90.8 -75.3 33.9 -10.7 4.6 14.6 5 6 A N S S- 0 0 73 -2,-1.1 -2,-0.3 121,-0.1 83,-0.1 -0.969 94.8 -90.2-135.2 139.6 -11.1 4.9 10.8 6 7 A S - 0 0 77 -2,-0.3 2,-1.3 81,-0.2 121,-0.1 -0.338 40.8-136.7 -56.3 106.8 -13.7 3.3 8.5 7 8 A P S S+ 0 0 63 0, 0.0 119,-0.2 0, 0.0 -1,-0.1 -0.602 77.4 4.8 -78.4 96.4 -12.1 0.0 7.5 8 9 A K S S- 0 0 91 -2,-1.3 118,-0.2 117,-0.2 117,-0.1 0.301 91.5 -91.6 101.2 138.1 -12.9 -0.0 3.7 9 10 A W - 0 0 30 116,-0.6 5,-0.0 2,-0.1 116,-0.0 -0.260 30.0-121.0 -64.9 162.3 -14.7 2.6 1.6 10 11 A T S S+ 0 0 150 3,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.360 89.4 81.3 -91.5 6.4 -18.5 2.6 1.2 11 12 A S S S- 0 0 56 1,-0.1 -2,-0.1 2,-0.0 3,-0.0 -0.847 74.8-138.8-109.7 147.7 -18.2 2.3 -2.7 12 13 A K S S+ 0 0 159 -2,-0.3 36,-2.4 35,-0.1 2,-0.4 0.631 96.7 45.2 -73.6 -16.9 -17.5 -0.9 -4.8 13 14 A V E S-a 48 0A 52 34,-0.2 36,-0.2 36,-0.0 2,-0.2 -0.979 72.0-171.2-129.6 143.5 -15.1 1.3 -6.9 14 15 A V E -a 49 0A 5 34,-1.9 36,-2.0 -2,-0.4 2,-0.3 -0.753 17.4-120.9-125.4 172.2 -12.5 3.9 -5.7 15 16 A T E -a 50 0A 37 -2,-0.2 44,-2.0 34,-0.2 2,-0.3 -0.866 16.5-161.3-116.6 153.3 -10.3 6.5 -7.3 16 17 A Y E -ab 51 59A 40 34,-1.9 36,-1.0 -2,-0.3 2,-0.3 -0.956 6.1-174.7-128.6 149.8 -6.5 7.0 -7.5 17 18 A R E - b 0 60A 85 42,-2.4 44,-2.3 -2,-0.3 2,-1.5 -0.854 14.0-156.7-146.6 106.2 -4.3 10.1 -8.3 18 19 A I E + b 0 61A 3 -2,-0.3 44,-0.2 42,-0.2 42,-0.1 -0.689 19.0 176.9 -84.5 84.2 -0.6 9.7 -8.5 19 20 A V + 0 0 66 -2,-1.5 2,-0.3 42,-1.4 43,-0.2 0.880 69.4 15.9 -60.4 -41.7 0.2 13.5 -7.8 20 21 A S S S- 0 0 42 41,-0.9 2,-0.3 -3,-0.2 44,-0.1 -0.791 77.3-149.5-126.1 164.8 4.0 12.9 -7.8 21 22 A Y - 0 0 72 -2,-0.3 42,-0.1 42,-0.1 78,-0.1 -0.938 17.4-109.3-136.4 155.0 6.0 10.0 -9.2 22 23 A T - 0 0 4 -2,-0.3 -1,-0.1 4,-0.1 5,-0.1 0.049 16.4-146.1 -66.5-172.0 9.3 8.2 -8.4 23 24 A R S S+ 0 0 205 76,-0.2 -1,-0.1 3,-0.1 4,-0.1 0.558 82.9 73.1-136.1 -33.5 12.4 8.4 -10.6 24 25 A D S S+ 0 0 84 75,-0.2 78,-0.0 1,-0.1 75,-0.0 0.857 111.0 27.3 -58.1 -39.3 14.3 5.0 -10.3 25 26 A L S S- 0 0 7 79,-0.1 -1,-0.1 1,-0.0 -3,-0.1 -0.902 98.8 -98.8-126.9 148.3 11.5 3.4 -12.4 26 27 A P > - 0 0 71 0, 0.0 4,-2.6 0, 0.0 3,-0.4 -0.186 28.8-110.3 -74.8 163.5 9.3 5.1 -15.1 27 28 A H H > S+ 0 0 115 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.844 119.3 55.8 -62.5 -36.1 5.7 6.3 -14.6 28 29 A I H > S+ 0 0 127 2,-0.2 4,-2.9 1,-0.2 -1,-0.3 0.892 109.8 46.9 -61.8 -38.6 4.3 3.5 -16.9 29 30 A T H > S+ 0 0 26 -3,-0.4 4,-3.1 2,-0.2 5,-0.3 0.918 110.3 52.8 -69.7 -41.7 6.1 1.1 -14.5 30 31 A V H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.963 114.9 41.3 -54.0 -54.3 4.6 3.0 -11.5 31 32 A D H X S+ 0 0 62 -4,-3.0 4,-3.3 1,-0.2 -2,-0.2 0.911 116.9 48.7 -62.3 -43.5 1.1 2.7 -13.0 32 33 A R H X S+ 0 0 156 -4,-2.9 4,-3.0 2,-0.2 -1,-0.2 0.889 115.1 43.8 -63.6 -42.1 1.7 -1.0 -14.1 33 34 A L H X S+ 0 0 9 -4,-3.1 4,-3.2 2,-0.2 5,-0.2 0.902 115.3 48.8 -72.0 -40.6 3.0 -2.0 -10.7 34 35 A V H X S+ 0 0 3 -4,-3.1 4,-3.2 -5,-0.3 5,-0.2 0.945 115.2 45.8 -56.2 -49.4 0.2 -0.1 -9.0 35 36 A S H X S+ 0 0 60 -4,-3.3 4,-2.7 2,-0.2 -2,-0.2 0.921 116.4 43.8 -65.0 -44.5 -2.3 -1.8 -11.3 36 37 A K H X S+ 0 0 110 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.936 116.8 46.6 -66.3 -45.2 -0.7 -5.3 -10.8 37 38 A A H X S+ 0 0 0 -4,-3.2 4,-1.6 2,-0.2 -2,-0.2 0.927 116.4 44.9 -59.6 -47.3 -0.4 -4.7 -7.0 38 39 A L H X S+ 0 0 11 -4,-3.2 4,-3.3 2,-0.2 -2,-0.2 0.862 110.8 53.0 -67.8 -36.7 -4.0 -3.5 -6.9 39 40 A N H X S+ 0 0 120 -4,-2.7 4,-1.0 -5,-0.2 -2,-0.2 0.900 107.5 53.1 -62.4 -38.4 -5.2 -6.4 -9.1 40 41 A M H < S+ 0 0 43 -4,-2.4 4,-0.3 2,-0.2 -2,-0.2 0.837 112.3 44.1 -65.6 -33.3 -3.4 -8.6 -6.6 41 42 A W H >X S+ 0 0 4 -4,-1.6 3,-1.9 1,-0.2 4,-1.0 0.956 114.1 49.0 -68.1 -51.1 -5.5 -6.9 -3.8 42 43 A G H 3< S+ 0 0 21 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.597 94.9 76.1 -67.0 -11.6 -8.7 -7.1 -6.0 43 44 A K T 3< S+ 0 0 147 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.816 106.6 32.3 -64.4 -31.2 -7.9 -10.8 -6.6 44 45 A E T <4 S+ 0 0 77 -3,-1.9 -2,-0.2 -4,-0.3 -1,-0.2 0.671 127.1 39.5-101.3 -21.2 -9.2 -11.5 -3.0 45 46 A I S < S- 0 0 4 -4,-1.0 2,-1.0 2,-0.2 -1,-0.2 -0.998 78.1-127.3-133.2 135.5 -11.9 -8.7 -2.8 46 47 A P + 0 0 102 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.134 66.3 130.6 -72.2 26.4 -14.4 -7.6 -5.6 47 48 A L - 0 0 12 -2,-1.0 2,-0.2 -6,-0.1 -34,-0.2 -0.638 40.9-160.7 -83.2 136.5 -13.3 -3.9 -5.2 48 49 A H E -a 13 0A 124 -36,-2.4 -34,-1.9 -2,-0.3 2,-0.3 -0.734 2.2-148.6-117.2 165.1 -12.3 -2.0 -8.4 49 50 A F E +a 14 0A 40 -36,-0.2 2,-0.3 -2,-0.2 -34,-0.2 -0.969 13.8 177.2-140.2 148.0 -10.3 1.2 -9.0 50 51 A R E -a 15 0A 166 -36,-2.0 -34,-1.9 -2,-0.3 2,-0.3 -0.901 27.8-108.2-142.3 169.3 -10.3 4.0 -11.5 51 52 A K E -a 16 0A 124 -2,-0.3 -34,-0.1 -36,-0.2 2,-0.1 -0.758 29.5-120.7-103.7 149.4 -8.5 7.3 -12.3 52 53 A V - 0 0 36 -36,-1.0 -1,-0.1 -2,-0.3 5,-0.1 -0.303 6.1-149.6 -71.8 167.5 -10.0 10.8 -11.9 53 54 A V S S- 0 0 142 -2,-0.1 2,-0.1 1,-0.1 -1,-0.1 0.743 85.5 -10.6-105.7 -40.8 -10.3 13.3 -14.7 54 55 A W S S+ 0 0 254 2,-0.1 2,-0.2 0, 0.0 -1,-0.1 -0.607 112.9 58.1-164.9 87.2 -9.8 16.6 -12.7 55 56 A G S S- 0 0 47 -2,-0.1 2,-0.2 -3,-0.0 -3,-0.1 -0.758 86.5 -68.0 163.4 160.5 -10.0 16.4 -8.9 56 57 A T - 0 0 106 -2,-0.2 2,-0.2 1,-0.1 34,-0.1 -0.475 50.7-136.5 -66.4 136.1 -8.2 14.7 -5.9 57 58 A A - 0 0 3 -2,-0.2 3,-0.4 1,-0.1 -41,-0.1 -0.469 20.3-114.3 -87.1 165.1 -8.8 11.0 -5.7 58 59 A D S S+ 0 0 60 1,-0.3 2,-0.6 -2,-0.2 -42,-0.2 0.841 116.5 45.4 -70.4 -29.0 -9.6 8.9 -2.6 59 60 A I E S-b 16 0A 9 -44,-2.0 -42,-2.4 35,-0.1 2,-0.5 -0.800 76.2-179.1-113.9 80.6 -6.1 7.3 -3.0 60 61 A M E -b 17 0A 38 -2,-0.6 35,-2.8 -3,-0.4 2,-0.5 -0.730 10.1-161.8 -69.4 128.3 -3.7 10.1 -3.7 61 62 A I E +bc 18 95A 2 -44,-2.3 -42,-1.4 -2,-0.5 -41,-0.9 -0.974 17.6 169.1-116.2 127.1 -0.2 8.5 -4.2 62 63 A G E - c 0 96A 1 33,-2.0 35,-1.8 -2,-0.5 2,-0.3 -0.962 21.9-153.4-141.4 158.6 2.7 10.9 -3.9 63 64 A F E + c 0 97A 14 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.958 14.0 173.4-133.9 146.0 6.5 10.9 -3.6 64 65 A A E - c 0 98A 18 33,-2.0 35,-2.9 -2,-0.3 36,-0.7 -0.862 30.5-125.6-144.3 173.7 9.0 13.4 -2.0 65 66 A R S S- 0 0 162 2,-0.5 33,-0.1 1,-0.3 3,-0.1 -0.569 83.2 -26.1-134.1 66.8 12.7 13.4 -1.4 66 67 A G S S- 0 0 32 -2,-0.2 -1,-0.3 10,-0.1 9,-0.2 0.791 124.1 -2.9 83.0 105.4 13.4 14.1 2.4 67 68 A A - 0 0 50 7,-0.1 -2,-0.5 -3,-0.1 2,-0.3 0.374 68.8-173.6 57.9 160.3 10.6 16.0 4.1 68 69 A H - 0 0 44 2,-0.1 2,-2.0 -4,-0.1 -1,-0.1 -0.963 42.9 -80.1-168.1 170.2 7.4 17.4 2.4 69 70 A G S S+ 0 0 95 -2,-0.3 2,-0.2 4,-0.1 -2,-0.0 -0.445 91.0 104.1 -77.8 61.4 4.3 19.6 3.0 70 71 A D S S- 0 0 36 -2,-2.0 -2,-0.1 1,-0.0 26,-0.0 -0.681 91.2 -85.4-131.5-179.2 2.4 16.8 4.7 71 72 A S S S+ 0 0 59 1,-0.2 -2,-0.0 -2,-0.2 -1,-0.0 0.880 118.9 28.0 -58.2 -36.9 1.3 15.8 8.3 72 73 A Y S S- 0 0 161 11,-0.0 2,-0.3 -5,-0.0 -1,-0.2 -0.965 82.5-134.9-135.6 112.1 4.7 14.0 8.8 73 74 A P - 0 0 94 0, 0.0 -4,-0.1 0, 0.0 -2,-0.0 -0.509 23.9-126.5 -70.0 130.3 8.0 15.0 7.0 74 75 A F - 0 0 13 -2,-0.3 -7,-0.1 1,-0.1 -6,-0.1 -0.111 4.9-142.6 -59.1 170.2 10.1 12.2 5.6 75 76 A D - 0 0 73 5,-0.4 -1,-0.1 1,-0.3 4,-0.1 0.622 32.4-128.4-115.4 -25.6 13.8 11.7 6.4 76 77 A G S S+ 0 0 0 4,-0.3 2,-1.1 2,-0.2 -1,-0.3 -0.899 75.4 17.2 103.8-139.4 15.4 10.5 3.0 77 78 A P S S+ 0 0 99 0, 0.0 2,-0.2 0, 0.0 4,-0.1 -0.612 116.7 20.2 -78.2 98.3 17.6 7.3 2.8 78 79 A G S S+ 0 0 30 -2,-1.1 -3,-0.2 2,-0.2 -2,-0.2 -0.796 95.2 40.0 144.1-176.4 16.9 5.2 6.0 79 80 A N S S+ 0 0 146 -2,-0.2 2,-0.3 -4,-0.1 -1,-0.1 -0.214 112.9 19.2 52.3-130.6 14.3 4.7 8.9 80 81 A T - 0 0 66 1,-0.1 -5,-0.4 60,-0.1 -4,-0.3 -0.570 62.7-172.0 -69.1 132.2 10.7 4.9 7.5 81 82 A L - 0 0 42 1,-0.3 17,-2.2 -2,-0.3 2,-0.3 0.719 66.9 -3.6-102.3 -29.7 10.5 4.4 3.6 82 83 A A E -D 97 0A 18 15,-0.2 -1,-0.3 -19,-0.0 2,-0.3 -0.966 60.6-160.1-157.4 156.7 6.8 5.2 3.0 83 84 A H E -D 96 0A 31 13,-2.7 13,-3.1 -2,-0.3 2,-0.3 -0.994 8.2-178.2-145.5 150.8 3.7 6.2 5.0 84 85 A A E -D 95 0A 24 -2,-0.3 2,-0.3 11,-0.3 11,-0.2 -0.907 18.9-126.7-144.5 165.4 -0.1 6.1 4.4 85 86 A F - 0 0 29 9,-2.5 8,-0.3 -2,-0.3 42,-0.1 -0.824 30.9-101.2-119.7 151.5 -3.3 7.1 6.2 86 87 A A - 0 0 10 -2,-0.3 7,-0.8 6,-0.2 8,-0.2 -0.384 46.9 -99.1 -68.9 150.4 -6.5 5.0 6.8 87 88 A P + 0 0 1 0, 0.0 -81,-0.2 0, 0.0 6,-0.1 -0.330 69.5 120.2 -72.8 154.4 -9.5 5.6 4.5 88 89 A G S S- 0 0 46 4,-0.2 4,-0.2 -83,-0.1 3,-0.1 0.355 81.1 -73.3 153.5 42.8 -12.4 7.9 5.6 89 90 A T S > S+ 0 0 110 1,-0.2 3,-1.6 3,-0.1 2,-0.1 0.376 101.8 33.7 63.8 161.0 -12.6 10.7 3.0 90 91 A G T 3 S- 0 0 52 1,-0.3 -1,-0.2 -34,-0.1 4,-0.1 -0.385 133.4 -5.7 73.0-140.4 -10.2 13.6 2.6 91 92 A L T > S+ 0 0 88 -3,-0.1 3,-2.0 2,-0.1 -1,-0.3 0.727 110.5 113.9 -56.7 -23.8 -6.5 12.9 3.4 92 93 A G T < S+ 0 0 14 -3,-1.6 -4,-0.2 1,-0.3 -6,-0.2 -0.215 79.0 16.0 -52.8 139.6 -7.8 9.5 4.5 93 94 A G T 3 S+ 0 0 0 -7,-0.8 -1,-0.3 -8,-0.3 31,-0.1 0.098 94.0 130.8 84.1 -19.8 -6.5 6.6 2.3 94 95 A D < - 0 0 3 -3,-2.0 -9,-2.5 -8,-0.2 2,-0.3 -0.245 41.0-156.5 -71.9 155.9 -3.7 8.8 0.8 95 96 A A E -cD 61 84A 0 -35,-2.8 -33,-2.0 -11,-0.2 2,-0.3 -0.983 7.9-163.9-140.7 145.6 -0.2 7.4 0.7 96 97 A H E -cD 62 83A 21 -13,-3.1 -13,-2.7 -2,-0.3 2,-0.3 -0.957 3.2-165.0-138.1 147.1 3.3 8.9 0.4 97 98 A F E -cD 63 82A 3 -35,-1.8 -33,-2.0 -2,-0.3 2,-0.9 -0.938 26.0-119.9-138.0 148.5 6.7 7.5 -0.4 98 99 A D E > -c 64 0A 0 -17,-2.2 3,-1.5 -2,-0.3 -33,-0.2 -0.823 19.6-169.6 -95.0 100.6 10.3 8.7 -0.1 99 100 A E T 3 S+ 0 0 43 -35,-2.9 4,-0.3 -2,-0.9 -34,-0.2 0.737 84.2 73.0 -59.6 -23.1 11.7 8.9 -3.7 100 101 A D T 3 S+ 0 0 55 -36,-0.7 2,-0.4 2,-0.1 -1,-0.3 0.779 82.2 83.1 -60.5 -28.8 15.2 9.4 -1.9 101 102 A E S < S- 0 0 19 -3,-1.5 2,-0.4 -20,-0.2 -25,-0.0 -0.680 100.5-106.1 -81.4 129.7 14.9 5.7 -1.1 102 103 A R - 0 0 187 -2,-0.4 9,-2.5 1,-0.1 2,-0.3 -0.406 39.9-158.8 -64.0 112.4 16.1 3.6 -4.0 103 104 A W E +e 111 0B 4 -2,-0.4 2,-0.3 -4,-0.3 9,-0.2 -0.633 13.7 177.0 -96.1 146.8 13.0 2.0 -5.6 104 105 A T E -e 112 0B 31 7,-2.4 9,-3.1 -2,-0.3 10,-0.4 -0.992 33.0-137.4-147.0 145.2 13.1 -1.2 -7.8 105 106 A D S S- 0 0 62 -2,-0.3 9,-0.5 7,-0.2 10,-0.2 0.878 79.1 -63.0 -65.2 -39.8 10.3 -3.2 -9.5 106 107 A G S S+ 0 0 32 3,-0.1 -1,-0.1 7,-0.1 4,-0.0 0.119 86.4 130.7 143.8 83.9 12.0 -6.5 -8.5 107 108 A S S S- 0 0 97 2,-0.1 3,-0.1 0, 0.0 -3,-0.0 0.673 81.3 -73.8-118.1 -62.6 15.5 -7.3 -9.9 108 109 A S S S+ 0 0 114 1,-0.3 2,-0.3 39,-0.0 39,-0.1 0.199 105.4 33.0-164.7 -45.3 17.7 -8.3 -6.9 109 110 A L S S+ 0 0 160 2,-0.1 -1,-0.3 0, 0.0 2,-0.3 -0.979 84.1 57.1-137.3 142.9 18.7 -5.3 -4.7 110 111 A G S S- 0 0 39 -2,-0.3 2,-0.6 -3,-0.1 -7,-0.2 -0.810 94.2 -50.1 128.3-172.8 16.8 -2.1 -3.8 111 112 A I E -e 103 0B 33 -9,-2.5 -7,-2.4 -2,-0.3 2,-0.4 -0.892 60.5-121.5-100.4 115.4 13.5 -1.4 -2.2 112 113 A N E > -e 104 0B 7 -2,-0.6 4,-2.5 -9,-0.2 -7,-0.2 -0.451 21.3-165.5 -64.2 115.1 10.8 -3.4 -3.9 113 114 A F H > S+ 0 0 0 -9,-3.1 4,-3.5 -2,-0.4 5,-0.3 0.876 87.8 56.4 -66.1 -42.9 8.1 -1.0 -5.3 114 115 A L H > S+ 0 0 33 -9,-0.5 4,-2.2 -10,-0.4 -1,-0.2 0.911 113.5 41.9 -59.0 -42.7 5.5 -3.8 -5.9 115 116 A Y H > S+ 0 0 12 2,-0.2 4,-2.9 31,-0.2 -2,-0.2 0.935 116.9 47.2 -66.0 -49.6 5.8 -4.8 -2.2 116 117 A A H X S+ 0 0 10 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.928 114.2 46.1 -62.9 -47.0 5.9 -1.1 -1.0 117 118 A A H X S+ 0 0 1 -4,-3.5 4,-3.3 2,-0.2 5,-0.4 0.960 113.9 49.6 -59.1 -50.0 2.9 -0.1 -3.1 118 119 A T H X S+ 0 0 0 -4,-2.2 4,-1.5 -5,-0.3 -2,-0.2 0.898 113.5 47.5 -53.7 -45.9 1.1 -3.3 -1.9 119 120 A H H X S+ 0 0 27 -4,-2.9 4,-1.3 2,-0.2 -2,-0.2 0.947 119.5 37.2 -58.1 -55.1 1.9 -2.4 1.7 120 121 A E H X S+ 0 0 9 -4,-2.9 4,-2.3 1,-0.2 3,-0.4 0.943 115.7 51.5 -70.7 -47.6 0.8 1.3 1.5 121 122 A L H X S+ 0 0 4 -4,-3.3 4,-1.8 -5,-0.2 -1,-0.2 0.772 103.5 62.6 -60.5 -29.1 -2.2 0.7 -0.8 122 123 A G H X S+ 0 0 0 -4,-1.5 4,-1.8 -5,-0.4 5,-0.4 0.942 105.8 43.2 -61.1 -46.8 -3.3 -2.0 1.7 123 124 A H H X S+ 0 0 9 -4,-1.3 4,-1.8 -3,-0.4 -2,-0.2 0.934 112.6 53.9 -63.2 -42.5 -3.6 0.7 4.4 124 125 A S H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.771 106.3 54.6 -57.8 -32.7 -5.3 2.9 1.7 125 126 A L H < S- 0 0 5 -4,-1.8 -116,-0.6 -3,-0.2 -117,-0.2 0.941 142.5 -54.0 -66.6 -50.1 -7.8 0.1 1.1 126 127 A G H < S- 0 0 1 -4,-1.8 -3,-0.2 -119,-0.2 -2,-0.2 0.266 84.9 -78.0 174.2 32.3 -8.9 -0.3 4.8 127 128 A M < + 0 0 21 -4,-1.8 -1,-0.1 -5,-0.4 -42,-0.0 0.057 47.1 177.4 65.0 171.4 -5.9 -0.8 7.1 128 129 A G + 0 0 4 9,-0.1 30,-0.1 -3,-0.1 2,-0.1 0.339 14.8 155.8 159.3 43.6 -4.1 -4.2 7.4 129 130 A H + 0 0 74 -7,-0.1 2,-0.2 29,-0.1 9,-0.1 -0.464 9.2 164.3 -83.0 166.9 -1.1 -4.3 9.8 130 131 A S - 0 0 41 7,-0.4 -2,-0.0 -2,-0.1 25,-0.0 -0.898 39.5-131.6-163.1-175.9 0.4 -7.3 11.6 131 132 A S + 0 0 101 -2,-0.2 7,-0.0 7,-0.1 -2,-0.0 -0.236 53.8 139.6-143.7 35.7 3.5 -8.6 13.5 132 133 A D > - 0 0 77 1,-0.1 3,-1.9 12,-0.0 12,-0.1 -0.623 64.1-114.0 -86.5 152.0 4.1 -12.0 11.8 133 134 A P T 3 S+ 0 0 80 0, 0.0 11,-0.4 0, 0.0 10,-0.2 0.724 117.1 22.8 -65.2 -22.6 7.7 -13.1 10.9 134 135 A N T 3 S+ 0 0 86 9,-0.1 19,-0.2 10,-0.1 20,-0.2 -0.149 88.2 156.4-130.4 27.5 7.0 -12.9 7.1 135 136 A A X - 0 0 1 -3,-1.9 3,-1.7 1,-0.1 9,-0.1 -0.415 43.4-141.4 -60.0 132.5 4.0 -10.4 7.2 136 137 A V T 3 S+ 0 0 1 1,-0.3 -1,-0.1 -2,-0.1 -17,-0.1 0.771 108.9 42.0 -66.3 -23.4 3.6 -8.6 3.9 137 138 A M T 3 S+ 0 0 0 -9,-0.1 -7,-0.4 2,-0.1 -1,-0.3 0.091 86.6 149.0-105.3 20.5 2.8 -5.5 6.0 138 139 A Y < - 0 0 81 -3,-1.7 2,-0.4 -9,-0.1 -7,-0.1 -0.303 51.3-119.2 -57.0 133.3 5.6 -6.2 8.6 139 140 A P S S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.677 86.7 14.9 -76.8 128.0 7.0 -3.0 10.2 140 141 A T S S- 0 0 126 -2,-0.4 -60,-0.1 -61,-0.1 -2,-0.0 0.793 98.1 -93.6 70.8 115.2 10.8 -2.7 9.4 141 142 A Y S S+ 0 0 78 1,-0.1 2,-0.1 2,-0.1 4,-0.1 -0.165 70.0 116.0 -53.5 148.2 12.2 -4.9 6.6 142 143 A G S S- 0 0 55 2,-0.3 -1,-0.1 -4,-0.1 -8,-0.1 -0.491 77.0 -2.3-172.9-124.4 13.7 -8.3 7.6 143 144 A N S S+ 0 0 133 -10,-0.2 2,-0.7 -2,-0.1 -9,-0.1 0.786 97.1 103.3 -61.6 -37.2 12.8 -12.0 6.8 144 145 A G S S- 0 0 6 -11,-0.4 -2,-0.3 -12,-0.1 -10,-0.1 -0.408 76.0-136.4 -56.6 97.6 9.7 -11.0 4.8 145 146 A D - 0 0 90 -2,-0.7 3,-0.2 1,-0.2 -1,-0.1 -0.442 19.9-169.8 -65.2 116.5 11.0 -11.6 1.3 146 147 A P S S+ 0 0 35 0, 0.0 3,-0.2 0, 0.0 -31,-0.2 0.658 74.4 77.3 -82.4 -16.7 9.8 -8.7 -0.9 147 148 A Q S S+ 0 0 111 1,-0.3 2,-0.4 -39,-0.1 -33,-0.0 0.901 114.6 14.4 -61.2 -37.2 10.9 -10.3 -4.2 148 149 A N S S+ 0 0 95 -3,-0.2 -1,-0.3 1,-0.1 -3,-0.1 -0.982 72.5 132.2-141.1 122.4 7.8 -12.5 -4.0 149 150 A F + 0 0 19 -2,-0.4 -1,-0.1 -3,-0.2 -2,-0.1 0.548 19.7 176.6-131.7 -55.6 4.9 -11.8 -1.6 150 151 A K S S- 0 0 137 1,-0.1 -35,-0.0 -14,-0.1 -2,-0.0 0.862 85.6 -46.0 36.1 52.8 1.6 -12.0 -3.7 151 152 A L S S- 0 0 11 4,-0.0 -1,-0.1 -15,-0.0 -16,-0.0 0.983 75.8-160.2 57.0 90.9 -0.3 -11.5 -0.4 152 153 A S - 0 0 51 -18,-0.1 -17,-0.1 4,-0.0 -3,-0.0 0.992 49.5 -66.6 -66.1 -83.0 1.4 -13.8 2.1 153 154 A Q S > S+ 0 0 134 -19,-0.2 4,-3.3 3,-0.0 5,-0.2 0.367 129.4 61.9-143.8 -44.6 -0.9 -14.6 5.2 154 155 A D H > S+ 0 0 6 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.936 107.6 47.1 -49.4 -51.7 -1.1 -11.2 6.9 155 156 A D H > S+ 0 0 3 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.932 115.5 44.2 -58.2 -50.5 -2.8 -9.8 3.8 156 157 A I H > S+ 0 0 37 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.906 115.1 49.0 -60.8 -44.7 -5.2 -12.7 3.5 157 158 A K H X S+ 0 0 103 -4,-3.3 4,-1.4 2,-0.2 -2,-0.2 0.931 114.7 45.2 -65.2 -44.8 -5.9 -12.6 7.3 158 159 A G H >X S+ 0 0 16 -4,-3.3 4,-2.0 2,-0.2 3,-0.6 0.980 117.2 43.6 -58.5 -59.0 -6.5 -8.8 7.1 159 160 A I H 3X S+ 0 0 5 -4,-3.3 4,-3.4 1,-0.3 3,-0.4 0.922 117.5 44.6 -57.1 -48.7 -8.7 -9.0 4.0 160 161 A Q H 3< S+ 0 0 118 -4,-3.3 5,-0.5 1,-0.2 -1,-0.3 0.692 113.3 53.1 -73.1 -15.5 -10.7 -12.1 5.3 161 162 A K H << S+ 0 0 71 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.791 119.3 34.3 -79.5 -32.1 -10.9 -10.3 8.8 162 163 A L H < S+ 0 0 41 -4,-2.0 -2,-0.2 -3,-0.4 -3,-0.2 0.846 129.0 34.1 -88.9 -43.6 -12.4 -7.2 7.1 163 164 A Y S < S+ 0 0 75 -4,-3.4 2,-0.2 -5,-0.2 -3,-0.1 -0.030 133.9 23.4-103.7 24.6 -14.4 -8.8 4.3 164 165 A G S S- 0 0 48 -5,-0.1 -3,-0.2 1,-0.1 -4,-0.1 -0.454 76.2-131.3-153.0-137.3 -15.3 -11.9 6.4 165 166 A K + 0 0 176 -5,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.259 61.6 106.5-157.8 -54.8 -15.4 -12.3 10.2 166 167 A R + 0 0 240 -6,-0.0 2,-0.3 1,-0.0 -1,-0.2 -0.014 41.1 158.3 -46.3 137.7 -13.5 -15.5 11.5 167 168 A S - 0 0 77 -3,-0.1 2,-0.2 -6,-0.0 -1,-0.0 -0.975 37.1-119.1-158.7 151.0 -10.2 -14.8 13.2 168 169 A N - 0 0 137 -2,-0.3 2,-0.4 1,-0.0 0, 0.0 -0.629 33.1-114.3 -84.2 156.1 -7.8 -16.5 15.7 169 170 A S + 0 0 115 -2,-0.2 2,-0.3 2,-0.0 -1,-0.0 -0.775 51.6 141.7 -87.7 132.8 -7.0 -14.9 19.1 170 171 A R 0 0 230 -2,-0.4 0, 0.0 0, 0.0 0, 0.0 -0.955 360.0 360.0-158.7 160.6 -3.4 -13.7 19.5 171 172 A K 0 0 246 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.972 360.0 360.0-143.9 360.0 -1.5 -10.9 21.1