==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 12-JAN-11 3QAY . COMPND 2 MOLECULE: ENDOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PHAGE PHICD27; . AUTHOR M.J.MAYER,V.GAREFALIKI,R.SPOERL,A.NARBAD,R.MEIJERS . 720 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33925.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 514 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 109 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 5.0 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 . 4 0.6 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 . 4 0.6 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 . 48 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 239 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.5 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 4 0 0 0 0 0 0 1 1 2 4 0 0 0 4 0 0 0 0 0 4 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 10 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 PARALLEL BRIDGES PER LADDER . 8 0 0 4 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 0 0 0 4 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 0 A H 0 0 209 0, 0.0 2,-0.3 0, 0.0 46,-0.1 0.000 360.0 360.0 360.0 -56.1 12.3 -2.0 16.1 2 1 A M - 0 0 33 77,-0.0 46,-2.5 76,-0.0 2,-0.6 -0.815 360.0-138.5-104.5 150.3 10.8 -3.5 12.9 3 2 A K E -a 48 0A 68 -2,-0.3 76,-2.7 44,-0.2 77,-1.3 -0.958 31.7-167.9-103.2 119.3 12.3 -3.8 9.4 4 3 A I E -ab 49 80A 0 44,-3.4 46,-2.2 -2,-0.6 2,-0.5 -0.867 16.1-154.3-118.4 138.2 9.5 -2.9 7.0 5 4 A C E -ab 50 81A 0 75,-3.1 77,-2.7 -2,-0.4 2,-0.5 -0.947 7.6-166.8-109.8 129.8 9.2 -3.3 3.2 6 5 A I E -ab 51 82A 0 44,-2.8 46,-3.6 -2,-0.5 2,-0.4 -0.977 5.9-170.8-114.7 116.1 7.0 -1.0 1.2 7 6 A T E -ab 52 83A 0 75,-2.7 77,-2.4 -2,-0.5 2,-0.6 -0.850 18.3-136.0 -99.8 143.1 6.3 -2.1 -2.4 8 7 A V E - b 0 84A 0 44,-2.2 46,-0.4 -2,-0.4 77,-0.1 -0.892 28.4-122.7 -94.2 125.0 4.5 0.2 -4.8 9 8 A G + 0 0 0 75,-2.1 11,-0.1 -2,-0.6 22,-0.1 -0.319 67.7 3.3 -66.3 147.8 1.8 -1.7 -6.8 10 9 A H - 0 0 36 9,-0.1 44,-0.5 52,-0.1 2,-0.3 -0.014 68.6-135.8 72.3-175.1 1.9 -1.8 -10.6 11 10 A S - 0 0 0 42,-0.1 8,-2.8 6,-0.0 2,-0.6 -0.975 19.4 -98.8-164.4 170.4 4.5 -0.4 -13.0 12 11 A I B -F 18 0B 19 43,-0.3 45,-2.5 -2,-0.3 46,-0.6 -0.946 44.9-141.6-103.2 114.8 5.1 1.6 -16.2 13 12 A L > - 0 0 19 4,-3.2 3,-1.3 -2,-0.6 44,-0.3 -0.067 27.3 -99.3 -67.4 172.0 5.9 -0.9 -19.0 14 13 A K T 3 S+ 0 0 134 45,-3.4 46,-0.1 1,-0.3 -1,-0.1 0.811 125.1 59.2 -61.5 -32.9 8.4 -0.4 -21.8 15 14 A S T 3 S- 0 0 101 44,-0.4 -1,-0.3 45,-0.2 3,-0.1 0.660 121.1-110.4 -65.2 -19.8 5.5 0.6 -24.1 16 15 A G S < S+ 0 0 36 -3,-1.3 2,-0.2 1,-0.4 -2,-0.1 0.298 73.4 141.8 97.0 -5.1 4.8 3.4 -21.6 17 16 A A - 0 0 48 -5,-0.1 -4,-3.2 1,-0.0 2,-0.5 -0.508 46.8-139.9 -70.0 133.4 1.5 1.7 -20.6 18 17 A C B -F 12 0B 43 -6,-0.2 -6,-0.2 -2,-0.2 -8,-0.0 -0.849 4.0-154.6 -95.7 130.7 0.8 2.0 -16.9 19 18 A T + 0 0 37 -8,-2.8 -7,-0.1 -2,-0.5 -9,-0.1 0.497 64.2 91.9 -86.5 -2.1 -0.5 -1.2 -15.4 20 19 A S S S- 0 0 14 -9,-0.3 -2,-0.1 1,-0.1 2,-0.1 -0.322 88.0 -86.7 -85.7 168.1 -2.4 0.5 -12.5 21 20 A A - 0 0 30 65,-0.3 6,-2.2 -2,-0.1 7,-0.5 -0.387 43.6-157.1 -64.0 154.3 -6.0 1.7 -12.2 22 21 A D B +G 26 0C 114 4,-0.2 4,-0.2 5,-0.1 2,-0.1 -0.975 33.2 121.2-143.1 123.0 -6.4 5.3 -13.5 23 22 A G S S- 0 0 35 2,-1.7 127,-0.3 -2,-0.4 3,-0.1 -0.187 85.3 -17.0-141.9-122.5 -9.2 7.7 -12.6 24 23 A V S S+ 0 0 49 125,-1.5 2,-0.3 1,-0.2 126,-0.2 0.716 142.4 20.3 -68.6 -19.6 -9.3 11.2 -11.1 25 24 A V S S- 0 0 20 124,-1.6 -2,-1.7 4,-0.0 2,-0.4 -0.985 91.9-108.8-141.2 149.8 -5.7 10.3 -10.1 26 25 A N B > -G 22 0C 34 -2,-0.3 4,-2.4 -4,-0.2 -4,-0.2 -0.676 23.5-145.5 -77.6 130.4 -3.3 7.7 -11.4 27 26 A E H > S+ 0 0 4 -6,-2.2 4,-2.4 -2,-0.4 5,-0.2 0.947 95.7 46.8 -61.4 -53.2 -2.9 4.8 -8.9 28 27 A Y H > S+ 0 0 0 -7,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.923 114.2 47.3 -56.6 -48.9 0.8 4.1 -9.6 29 28 A Q H > S+ 0 0 82 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.909 111.7 50.2 -62.5 -45.7 1.8 7.8 -9.5 30 29 A Y H X S+ 0 0 12 -4,-2.4 4,-2.6 1,-0.2 3,-0.4 0.958 114.7 43.5 -56.3 -51.6 -0.0 8.5 -6.3 31 30 A N H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.3 -2,-0.2 0.805 107.4 59.0 -69.9 -29.4 1.5 5.5 -4.5 32 31 A K H < S+ 0 0 76 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.868 113.1 41.7 -59.5 -37.5 5.0 6.3 -6.0 33 32 A S H X S+ 0 0 59 -4,-1.7 4,-0.7 -3,-0.4 -2,-0.2 0.874 116.4 47.3 -76.7 -42.0 4.5 9.7 -4.2 34 33 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 3,-0.5 0.868 96.9 72.0 -65.8 -41.1 3.0 8.2 -0.9 35 34 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.867 99.6 43.3 -49.3 -51.9 5.6 5.4 -0.4 36 35 A P H > S+ 0 0 57 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.824 114.6 50.8 -66.3 -31.6 8.6 7.6 0.6 37 36 A V H X S+ 0 0 41 -4,-0.7 4,-1.8 -3,-0.5 -2,-0.2 0.907 111.1 48.9 -68.3 -42.7 6.3 9.7 2.9 38 37 A L H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 5,-0.2 0.912 110.5 51.3 -61.3 -45.2 5.0 6.5 4.5 39 38 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.929 109.7 49.2 -55.9 -49.3 8.6 5.2 5.0 40 39 A D H X S+ 0 0 94 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.833 107.4 55.0 -62.5 -35.0 9.7 8.4 6.7 41 40 A T H X S+ 0 0 25 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.923 111.6 44.2 -65.6 -42.9 6.7 8.3 9.0 42 41 A F H ><>S+ 0 0 0 -4,-2.0 5,-1.7 1,-0.2 3,-0.9 0.901 111.1 55.2 -62.0 -42.5 7.7 4.8 10.1 43 42 A R H ><5S+ 0 0 104 -4,-2.6 3,-2.2 1,-0.3 -2,-0.2 0.866 98.0 61.5 -63.7 -37.5 11.3 5.9 10.4 44 43 A K H 3<5S+ 0 0 181 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.810 103.0 52.4 -55.9 -31.8 10.4 8.8 12.8 45 44 A E T <<5S- 0 0 51 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.315 129.1 -98.7 -89.6 6.5 9.2 6.1 15.1 46 45 A G T < 5S+ 0 0 51 -3,-2.2 -3,-0.2 1,-0.3 2,-0.2 0.477 79.3 131.2 97.2 5.5 12.5 4.2 14.9 47 46 A H < - 0 0 19 -5,-1.7 2,-0.4 -46,-0.1 -1,-0.3 -0.513 54.5-123.5 -90.1 157.1 11.7 1.5 12.3 48 47 A K E -a 3 0A 142 -46,-2.5 -44,-3.4 -2,-0.2 2,-0.4 -0.861 31.0-171.1-101.4 137.8 13.8 0.7 9.3 49 48 A V E -a 4 0A 7 -2,-0.4 2,-0.4 -46,-0.2 -44,-0.2 -0.989 17.8-167.5-135.5 136.0 12.2 0.8 5.9 50 49 A D E -a 5 0A 61 -46,-2.2 -44,-2.8 -2,-0.4 2,-0.5 -0.991 15.8-150.0-116.1 131.5 13.0 -0.1 2.3 51 50 A V E -a 6 0A 46 -2,-0.4 2,-0.6 -46,-0.2 -44,-0.2 -0.895 8.9-162.6-101.9 127.4 10.8 1.1 -0.5 52 51 A I E +a 7 0A 21 -46,-3.6 -44,-2.2 -2,-0.5 2,-0.4 -0.948 14.8 169.0-114.0 114.8 10.6 -1.1 -3.6 53 52 A I - 0 0 48 -2,-0.6 -44,-0.1 -46,-0.2 -42,-0.1 -0.986 36.9-112.2-124.4 134.6 9.3 0.4 -6.8 54 53 A C - 0 0 4 -44,-0.5 -42,-0.2 -46,-0.4 11,-0.1 -0.330 38.7-100.8 -61.6 142.0 9.5 -1.3 -10.2 55 54 A P - 0 0 30 0, 0.0 3,-0.4 0, 0.0 4,-0.4 -0.354 41.8-120.1 -56.3 146.5 11.8 0.2 -12.7 56 55 A E S S+ 0 0 76 1,-0.2 -43,-0.2 -45,-0.1 -42,-0.1 -0.736 84.8 6.3 -94.6 143.3 9.9 2.2 -15.3 57 56 A K S S+ 0 0 131 -45,-2.5 -1,-0.2 -2,-0.3 -44,-0.2 0.758 104.8 96.5 58.8 31.5 9.9 1.5 -19.0 58 57 A Q + 0 0 108 -46,-0.6 -45,-0.1 -3,-0.4 -2,-0.1 0.760 59.3 83.1-109.2 -47.1 11.9 -1.8 -18.5 59 58 A F - 0 0 4 -47,-0.4 -45,-3.4 -4,-0.4 -44,-0.4 -0.356 53.9-160.4 -72.4 138.8 9.2 -4.5 -18.4 60 59 A K S S+ 0 0 174 -47,-0.2 2,-0.3 1,-0.2 -45,-0.2 0.868 82.0 9.5 -77.0 -43.2 7.7 -6.1 -21.5 61 60 A T S > S- 0 0 62 -48,-0.1 3,-1.4 -47,-0.0 -1,-0.2 -0.894 78.1-107.5-133.0 165.9 4.7 -7.3 -19.6 62 61 A K T > S+ 0 0 138 -2,-0.3 3,-1.9 1,-0.2 4,-0.5 0.672 107.4 81.5 -62.7 -18.3 3.1 -6.9 -16.1 63 62 A N T >> S+ 0 0 113 1,-0.3 4,-1.0 2,-0.2 3,-0.5 0.783 80.1 65.8 -60.7 -25.3 4.3 -10.5 -15.4 64 63 A E H <> S+ 0 0 59 -3,-1.4 4,-1.8 1,-0.2 -1,-0.3 0.589 82.6 75.8 -74.2 -10.8 7.7 -9.0 -14.6 65 64 A E H <> S+ 0 0 14 -3,-1.9 4,-2.6 2,-0.2 5,-0.2 0.927 99.2 43.8 -64.9 -44.8 6.3 -7.2 -11.5 66 65 A K H <> S+ 0 0 70 -3,-0.5 4,-2.3 -4,-0.5 -2,-0.2 0.952 112.9 51.0 -60.8 -52.6 6.2 -10.4 -9.6 67 66 A S H < S+ 0 0 84 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.792 115.9 43.1 -58.9 -32.3 9.6 -11.6 -10.8 68 67 A Y H X S+ 0 0 48 -4,-1.8 4,-0.8 2,-0.1 -1,-0.2 0.929 119.9 38.6 -76.9 -49.8 11.1 -8.2 -9.7 69 68 A K H X S+ 0 0 2 -4,-2.6 4,-2.9 -5,-0.2 3,-0.4 0.940 106.2 59.9 -71.9 -50.3 9.4 -7.8 -6.3 70 69 A I H X S+ 0 0 6 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.839 104.8 46.0 -55.4 -48.1 9.3 -11.3 -4.8 71 70 A P H > S+ 0 0 53 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.887 116.8 46.8 -61.8 -37.1 13.1 -12.0 -4.7 72 71 A R H X S+ 0 0 108 -4,-0.8 4,-0.7 -3,-0.4 3,-0.4 0.895 112.5 48.7 -72.4 -42.7 13.8 -8.5 -3.2 73 72 A V H >< S+ 0 0 1 -4,-2.9 3,-0.6 1,-0.2 5,-0.5 0.924 116.1 45.0 -57.5 -43.6 11.0 -8.8 -0.7 74 73 A N H 3< S+ 0 0 4 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.552 110.1 53.0 -84.6 -7.4 12.3 -12.3 0.3 75 74 A S H 3< S+ 0 0 83 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.522 94.8 70.3-100.3 -8.3 16.0 -11.3 0.5 76 75 A G S << S- 0 0 13 -4,-0.7 -2,-0.1 -3,-0.6 -1,-0.1 0.482 94.2-127.6 -92.3 -3.9 15.6 -8.4 2.9 77 76 A G - 0 0 56 -4,-0.2 2,-0.3 1,-0.2 -3,-0.1 0.966 43.1-178.9 55.8 58.3 14.7 -10.1 6.1 78 77 A Y - 0 0 23 -5,-0.5 -74,-0.2 1,-0.1 -1,-0.2 -0.623 36.9-154.5 -93.8 147.9 11.6 -8.0 6.8 79 78 A D S S+ 0 0 82 -76,-2.7 61,-0.5 1,-0.3 2,-0.3 0.708 86.1 16.1 -82.7 -23.0 9.2 -8.2 9.7 80 79 A L E -bc 4 140A 0 -77,-1.3 -75,-3.1 59,-0.2 2,-0.4 -0.982 59.7-156.6-156.9 135.6 6.4 -6.8 7.5 81 80 A L E -bc 5 141A 1 59,-2.4 61,-2.1 -2,-0.3 2,-0.4 -0.953 11.5-174.9-111.8 133.7 5.6 -6.1 3.9 82 81 A I E -bc 6 142A 0 -77,-2.7 -75,-2.7 -2,-0.4 2,-0.5 -0.999 6.0-164.0-123.9 126.1 3.1 -3.4 2.8 83 82 A E E -bc 7 143A 6 59,-2.2 61,-2.6 -2,-0.4 2,-0.5 -0.968 16.3-138.9-110.5 130.2 2.0 -3.0 -0.8 84 83 A L E +bc 8 144A 0 -77,-2.4 -75,-2.1 -2,-0.5 2,-0.3 -0.740 32.4 155.8 -94.6 124.7 0.3 0.2 -1.7 85 84 A H E - c 0 145A 18 59,-3.1 61,-1.7 -2,-0.5 2,-0.3 -0.866 32.1-139.8-131.8 167.2 -2.7 0.3 -4.1 86 85 A L E - 0 0 2 -2,-0.3 -65,-0.3 59,-0.2 62,-0.2 -0.952 28.2-125.9-122.4 150.6 -5.7 2.4 -4.8 87 86 A N E - c 0 148A 23 60,-2.3 62,-2.5 -2,-0.3 63,-0.4 -0.309 22.9-170.3 -90.3 172.5 -9.0 0.8 -5.6 88 87 A A + 0 0 42 60,-0.2 2,-0.1 61,-0.1 6,-0.1 -0.972 19.7 146.4-160.0 150.6 -11.4 1.3 -8.5 89 88 A S S S- 0 0 70 -2,-0.3 62,-0.0 4,-0.2 5,-0.0 -0.227 76.1 -50.7-144.5-113.9 -14.9 0.3 -9.6 90 89 A N S S- 0 0 98 -2,-0.1 -2,-0.0 0, 0.0 61,-0.0 0.219 89.3 -83.2-117.0 9.4 -17.2 2.4 -11.8 91 90 A G S S+ 0 0 22 2,-0.1 61,-0.2 60,-0.0 57,-0.0 0.108 120.8 79.8 107.9 -19.5 -16.8 5.7 -9.8 92 91 A Q + 0 0 164 59,-0.1 59,-0.1 2,-0.0 2,-0.0 0.766 69.0 92.2 -91.8 -30.4 -19.4 4.9 -7.2 93 92 A G + 0 0 19 57,-0.0 2,-0.3 2,-0.0 -4,-0.2 -0.364 55.7 168.3 -62.4 143.0 -17.3 2.6 -5.0 94 93 A K + 0 0 95 -6,-0.1 2,-0.1 53,-0.1 -6,-0.1 -0.986 17.6 50.7-153.2 160.4 -15.4 4.4 -2.2 95 94 A G S S- 0 0 0 -2,-0.3 2,-0.3 53,-0.1 -8,-0.2 -0.427 71.7 -55.0 108.8-176.6 -13.4 3.9 1.0 96 95 A S E +d 122 0A 0 25,-2.9 27,-2.5 -2,-0.1 28,-0.4 -0.734 42.0 173.2-109.7 154.2 -10.5 2.0 2.4 97 96 A E E - 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0 0 115 -2,-0.2 -25,-2.9 1,-0.1 2,-1.1 -0.593 45.3-128.2 -65.6 127.0 -15.5 4.5 4.5 122 121 A N E +d 96 0A 62 -2,-0.3 -25,-0.1 -5,-0.3 -1,-0.1 -0.717 31.0 176.7 -81.0 99.5 -14.2 1.5 6.4 123 122 A R E - 0 0 85 -27,-2.5 -26,-0.2 -2,-1.1 -1,-0.2 0.626 44.7-120.2 -77.3 -15.9 -14.8 -1.3 3.9 124 123 A G E - 0 0 23 -28,-0.4 -26,-0.8 -3,-0.1 2,-0.2 0.047 27.4 -63.6 97.8 157.0 -13.1 -3.8 6.3 125 124 A A E -d 98 0A 29 -28,-0.2 2,-0.4 -19,-0.1 -26,-0.2 -0.588 54.2-160.6 -74.3 139.5 -10.0 -6.1 6.3 126 125 A K E -d 99 0A 79 -28,-2.6 -26,-2.0 -2,-0.2 2,-0.4 -0.988 15.1-130.3-133.8 130.9 -10.4 -8.9 3.7 127 126 A L E +d 100 0A 95 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.632 31.2 167.0 -76.3 129.1 -8.7 -12.3 3.4 128 127 A D + 0 0 30 -28,-2.4 3,-0.4 -2,-0.4 6,-0.1 -0.809 13.1 171.7-144.9 106.0 -7.3 -13.0 -0.1 129 128 A K S S+ 0 0 97 -2,-0.3 -28,-0.1 1,-0.2 -1,-0.1 0.410 70.0 76.0 -91.4 1.5 -4.9 -15.9 -0.5 130 129 A R + 0 0 212 4,-0.1 2,-0.3 3,-0.0 -1,-0.2 0.669 70.0 97.3 -86.3 -18.7 -4.8 -15.7 -4.3 131 130 A L >> - 0 0 53 -3,-0.4 4,-2.9 1,-0.1 3,-0.9 -0.582 66.4-146.4 -80.4 130.5 -2.5 -12.7 -4.6 132 131 A Y H 3> S+ 0 0 60 -2,-0.3 4,-1.8 1,-0.3 -1,-0.1 0.813 97.5 62.2 -63.9 -32.6 1.1 -13.5 -5.2 133 132 A I H 34 S+ 0 0 5 1,-0.2 -1,-0.3 2,-0.2 9,-0.1 0.788 116.6 33.0 -67.3 -23.6 2.3 -10.6 -3.2 134 133 A L H <4 S+ 0 0 3 -3,-0.9 3,-0.4 2,-0.1 -2,-0.2 0.823 122.7 42.8 -94.9 -43.3 0.6 -12.2 -0.2 135 134 A N H < S+ 0 0 11 -4,-2.9 482,-0.3 1,-0.2 -3,-0.2 0.540 119.6 41.8 -86.9 -5.3 1.0 -15.9 -0.9 136 135 A S S < S+ 0 0 8 -4,-1.8 2,-0.4 -5,-0.2 -1,-0.2 0.257 91.3 97.9-122.5 10.2 4.7 -15.8 -2.0 137 136 A S - 0 0 1 -3,-0.4 4,-0.1 1,-0.2 542,-0.1 -0.843 60.6-150.9-101.4 133.3 6.1 -13.4 0.5 138 137 A K S S+ 0 0 57 -2,-0.4 -1,-0.2 540,-0.3 3,-0.1 0.957 77.5 65.3 -68.2 -50.9 7.9 -14.8 3.5 139 138 A P S S- 0 0 15 0, 0.0 -59,-0.2 0, 0.0 -60,-0.1 -0.284 106.2 -83.2 -68.1 158.7 7.1 -12.0 5.9 140 139 A T E -c 80 0A 20 -61,-0.5 -59,-2.4 -62,-0.1 2,-0.3 -0.379 60.2-163.7 -48.6 134.3 3.6 -11.2 7.1 141 140 A A E -c 81 0A 3 -61,-0.2 -40,-0.7 -7,-0.1 2,-0.3 -0.963 21.2-172.8-133.2 148.4 2.1 -9.0 4.3 142 141 A V E -cE 82 100A 1 -61,-2.1 -59,-2.2 -2,-0.3 2,-0.6 -0.991 15.6-146.4-134.7 146.2 -0.8 -6.7 3.8 143 142 A L E -cE 83 99A 8 -44,-2.8 -44,-3.1 -2,-0.3 2,-0.6 -0.962 19.7-152.6-110.7 116.7 -2.0 -5.0 0.6 144 143 A I E -cE 84 98A 0 -61,-2.6 -59,-3.1 -2,-0.6 2,-0.8 -0.817 16.5-171.8 -97.7 121.6 -3.5 -1.6 1.3 145 144 A E E -cE 85 97A 24 -48,-2.9 -48,-1.8 -2,-0.6 -59,-0.2 -0.856 14.6-175.0-103.2 89.6 -6.2 -0.1 -0.9 146 145 A S E - 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0 0 27 -4,-3.2 4,-2.1 -5,-0.2 5,-0.2 -0.045 38.7 -67.2 78.8 169.3 -2.0 15.0 2.3 163 162 A H H > S+ 0 0 67 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.886 138.8 52.1 -59.1 -39.0 0.5 12.2 2.0 164 163 A E H > S+ 0 0 153 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.855 107.5 52.0 -64.7 -39.8 1.5 12.7 5.6 165 164 A G H X S+ 0 0 19 -4,-0.8 4,-1.2 2,-0.2 -2,-0.2 0.886 113.9 42.4 -64.3 -43.5 -2.1 12.5 6.8 166 165 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 -8,-0.2 -2,-0.2 0.924 115.4 51.0 -66.4 -47.0 -2.6 9.2 5.0 167 166 A A H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.2 5,-0.2 0.920 106.3 54.1 -56.0 -48.1 0.8 7.9 6.1 168 167 A K H X S+ 0 0 64 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.877 108.3 49.5 -57.9 -40.0 0.1 8.8 9.8 169 168 A L H X S+ 0 0 20 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.908 113.2 46.0 -67.7 -41.7 -3.1 6.8 9.8 170 169 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.908 115.1 46.9 -65.0 -44.5 -1.4 3.7 8.2 171 170 A V H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.925 110.5 51.1 -66.6 -45.8 1.5 3.9 10.6 172 171 A E H X>S+ 0 0 12 -4,-2.7 5,-1.5 -5,-0.2 4,-1.2 0.909 113.3 48.2 -55.6 -42.5 -0.7 4.4 13.7 173 172 A G H <5S+ 0 0 2 -4,-1.9 3,-0.3 -5,-0.2 -2,-0.2 0.947 114.3 42.8 -62.4 -53.4 -2.6 1.3 12.6 174 173 A V H <5S+ 0 0 2 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.935 121.1 41.3 -61.0 -45.4 0.4 -0.9 11.9 175 174 A L H <5S- 0 0 29 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.603 101.6-133.5 -81.8 -11.7 2.2 0.2 15.1 176 175 A N T <5 + 0 0 111 -4,-1.2 2,-0.3 -3,-0.3 -3,-0.2 0.930 69.6 93.7 56.5 49.7 -1.0 0.1 17.3 177 176 A K S - 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