==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOXYPEPTIDASE 06-OCT-99 1QMU . COMPND 2 MOLECULE: CARBOXYPEPTIDASE GP180 RESIDUES 503-882; . SOURCE 2 ORGANISM_SCIENTIFIC: LOPHONETTA SPECULARIOIDES; . AUTHOR F.X.GOMIS-RUETH,M.COLL,F.X.AVILES,J.VENDRELL,L.D.FRICKER . 380 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15400.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 33 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 2 1 0 0 1 1 0 0 2 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 0 2 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 PARALLEL BRIDGES PER LADDER . 1 1 3 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 1 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 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 4 A Q 0 0 236 0, 0.0 94,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -52.2 22.8 65.4 24.4 2 5 A A - 0 0 26 1,-0.1 2,-0.5 92,-0.0 89,-0.1 -0.270 360.0-105.6 -62.4 147.9 19.8 63.7 22.7 3 6 A V - 0 0 70 84,-0.1 88,-0.1 1,-0.0 -1,-0.1 -0.612 32.0-147.0 -80.2 122.3 16.5 64.0 24.4 4 7 A Q - 0 0 63 -2,-0.5 -1,-0.0 1,-0.1 79,-0.0 -0.433 25.0 -97.0 -86.0 160.1 15.2 60.9 26.2 5 8 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.159 30.1-176.3 -67.6 170.4 11.5 60.0 26.5 6 9 A V + 0 0 104 1,-0.1 2,-2.7 77,-0.0 77,-0.0 0.533 59.0 92.8-137.5 -34.2 9.5 60.7 29.6 7 10 A D + 0 0 45 1,-0.1 2,-1.0 76,-0.1 79,-0.1 -0.420 53.0 164.7 -68.9 70.8 6.0 59.2 29.0 8 11 A F + 0 0 56 -2,-2.7 2,-0.3 -3,-0.1 273,-0.1 -0.739 28.6 98.4 -95.6 88.8 7.1 55.9 30.8 9 12 A R S S- 0 0 100 -2,-1.0 2,-0.3 272,-0.1 268,-0.0 -0.983 80.1 -80.5-161.8 165.3 3.8 54.1 31.6 10 13 A H - 0 0 16 -2,-0.3 2,-0.6 1,-0.0 66,-0.0 -0.594 44.7-150.7 -73.0 130.8 1.6 51.3 30.3 11 14 A H - 0 0 0 -2,-0.3 2,-0.1 4,-0.1 -1,-0.0 -0.912 5.2-157.8-111.1 111.3 -0.6 52.7 27.6 12 15 A H > - 0 0 71 -2,-0.6 4,-2.6 1,-0.1 3,-0.4 -0.327 43.0 -89.6 -75.3 165.9 -4.0 51.2 27.1 13 16 A F H > S+ 0 0 21 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.895 125.1 54.2 -44.7 -56.5 -5.6 51.6 23.7 14 17 A S H > S+ 0 0 80 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.887 116.4 38.2 -44.4 -52.3 -7.4 54.8 24.4 15 18 A D H > S+ 0 0 54 -3,-0.4 4,-3.7 2,-0.2 -1,-0.3 0.779 112.6 55.8 -72.7 -31.0 -4.1 56.5 25.6 16 19 A M H X S+ 0 0 4 -4,-2.6 4,-3.0 -3,-0.2 -1,-0.2 0.899 109.2 48.7 -68.0 -39.2 -2.0 54.9 23.0 17 20 A E H X S+ 0 0 52 -4,-3.2 4,-3.0 -5,-0.3 5,-0.3 0.973 114.4 45.4 -61.2 -51.9 -4.3 56.3 20.4 18 21 A I H X S+ 0 0 95 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.954 113.7 49.0 -53.8 -55.4 -4.0 59.7 22.1 19 22 A F H X S+ 0 0 9 -4,-3.7 4,-1.8 1,-0.2 -1,-0.2 0.932 113.6 47.3 -49.2 -54.8 -0.2 59.4 22.4 20 23 A L H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.920 112.3 47.4 -55.8 -49.4 0.1 58.4 18.8 21 24 A R H X S+ 0 0 112 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.863 105.7 60.1 -64.6 -35.0 -2.2 61.2 17.5 22 25 A R H X S+ 0 0 126 -4,-2.7 4,-2.9 -5,-0.3 -1,-0.2 0.934 110.9 40.7 -57.6 -45.1 -0.4 63.8 19.6 23 26 A Y H X S+ 0 0 4 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.830 111.2 55.7 -73.2 -31.6 2.9 63.0 17.7 24 27 A A H < S+ 0 0 16 -4,-2.1 7,-0.2 -5,-0.2 -2,-0.2 0.920 116.7 38.7 -65.3 -39.4 1.2 62.7 14.4 25 28 A N H < S+ 0 0 127 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.880 113.8 51.8 -78.1 -40.7 -0.2 66.2 14.9 26 29 A E H < S+ 0 0 101 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.775 123.7 27.9 -68.5 -26.5 2.9 67.8 16.6 27 30 A Y >X + 0 0 55 -4,-1.5 3,-1.5 -5,-0.2 4,-1.5 -0.460 68.2 154.9-135.2 63.0 5.3 66.7 13.8 28 31 A P T 34 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.665 72.1 62.8 -62.4 -20.7 3.1 66.4 10.7 29 32 A S T 34 S+ 0 0 82 1,-0.2 -5,-0.0 -3,-0.1 -2,-0.0 0.663 114.7 29.9 -81.6 -16.2 6.2 67.0 8.5 30 33 A I T <4 S+ 0 0 8 -3,-1.5 21,-1.9 -6,-0.1 2,-0.3 0.556 114.8 61.2-117.2 -13.2 7.9 63.8 9.7 31 34 A T E < -A 50 0A 9 -4,-1.5 2,-0.3 -7,-0.2 19,-0.2 -0.830 43.8-175.8-125.0 159.2 5.0 61.5 10.5 32 35 A R E -A 49 0A 79 17,-1.8 17,-2.9 -2,-0.3 2,-0.4 -0.873 15.2-160.7-150.7 110.2 2.1 59.8 9.0 33 36 A L E +A 48 0A 43 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.796 23.0 155.0 -96.8 132.5 -0.3 57.8 11.2 34 37 A Y E -A 47 0A 24 13,-2.1 13,-2.5 -2,-0.4 2,-0.3 -0.946 35.4-123.4-149.0 167.9 -2.5 55.2 9.6 35 38 A S E -A 46 0A 40 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.758 5.2-161.1-110.9 162.1 -4.5 52.1 10.3 36 39 A V E - 0 0 36 9,-0.8 2,-0.3 1,-0.5 129,-0.1 0.365 68.5 -52.4-123.5 -1.5 -4.1 48.8 8.5 37 40 A G E - 0 0 27 8,-0.1 8,-2.0 125,-0.0 -1,-0.5 -0.956 67.9 -75.8 155.1-163.7 -7.4 47.2 9.5 38 41 A K E -A 44 0A 102 -2,-0.3 6,-0.2 6,-0.2 4,-0.2 -0.992 34.6-115.7-134.0 141.5 -9.2 46.5 12.8 39 42 A S > - 0 0 2 4,-2.9 3,-2.3 -2,-0.4 75,-0.1 -0.066 47.6 -92.7 -60.3 169.9 -8.8 44.0 15.5 40 43 A V T 3 S+ 0 0 41 1,-0.3 -1,-0.1 2,-0.1 94,-0.0 0.916 133.3 51.0 -53.2 -41.3 -11.6 41.5 16.0 41 44 A E T 3 S- 0 0 69 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.014 126.1-104.4 -87.8 28.7 -13.0 44.0 18.6 42 45 A L < + 0 0 130 -3,-2.3 2,-0.5 1,-0.2 -2,-0.1 0.716 69.3 148.7 59.4 28.7 -12.7 46.8 16.1 43 46 A R - 0 0 67 1,-0.1 -4,-2.9 3,-0.0 -1,-0.2 -0.812 53.3-107.1 -93.1 130.1 -9.6 48.5 17.5 44 47 A E E -A 38 0A 49 -2,-0.5 2,-1.2 -6,-0.2 -6,-0.2 -0.182 16.4-134.9 -56.4 142.7 -7.4 50.2 14.9 45 48 A L E - 0 0 0 -8,-2.0 -9,-0.8 -6,-0.1 -1,-0.1 -0.661 37.6-160.7 -98.6 76.1 -4.2 48.5 14.0 46 49 A Y E -A 35 0A 23 -2,-1.2 66,-0.4 -11,-0.2 2,-0.3 -0.194 17.1-175.0 -64.3 148.1 -2.2 51.7 14.0 47 50 A V E -A 34 0A 0 -13,-2.5 -13,-2.1 63,-0.2 2,-0.7 -0.996 15.1-146.4-141.0 138.9 1.2 52.3 12.4 48 51 A M E -AB 33 109A 0 61,-3.1 61,-2.4 -2,-0.3 2,-0.4 -0.922 10.0-157.1-113.1 112.0 3.4 55.4 12.6 49 52 A E E -AB 32 108A 0 -17,-2.9 -17,-1.8 -2,-0.7 2,-0.5 -0.712 9.3-170.9 -84.3 133.8 5.4 56.1 9.5 50 53 A I E +AB 31 107A 0 57,-3.4 57,-1.8 -2,-0.4 2,-0.3 -0.905 28.7 127.2-131.6 103.9 8.4 58.3 10.3 51 54 A S - 0 0 0 -21,-1.9 52,-0.2 -2,-0.5 55,-0.1 -0.946 68.2-116.8-147.8 159.0 10.2 59.6 7.3 52 55 A D S S+ 0 0 47 50,-1.5 51,-0.1 -2,-0.3 -21,-0.1 0.316 122.6 43.2 -81.4 9.8 11.3 63.1 6.3 53 56 A N S > S- 0 0 65 49,-0.2 3,-1.6 -23,-0.2 -1,-0.3 -0.395 89.9-163.8-150.2 60.7 8.9 62.4 3.5 54 57 A P T 3 + 0 0 39 0, 0.0 -23,-0.1 0, 0.0 3,-0.1 -0.202 69.3 21.1 -53.8 130.7 5.9 60.7 5.1 55 58 A G T 3 S+ 0 0 35 1,-0.1 2,-0.4 -23,-0.1 -24,-0.0 0.097 105.3 86.9 100.9 -22.7 3.5 58.9 2.9 56 59 A I < - 0 0 85 -3,-1.6 2,-0.9 2,-0.0 -1,-0.1 -0.922 63.7-142.1-122.1 141.7 5.8 58.3 -0.1 57 60 A H - 0 0 29 -2,-0.4 2,-0.4 -3,-0.1 6,-0.0 -0.830 25.8-157.4 -92.2 109.5 8.3 55.6 -1.0 58 61 A E > - 0 0 58 -2,-0.9 3,-2.1 1,-0.1 2,-0.1 -0.737 29.7 -92.0 -92.9 145.1 11.1 57.3 -2.6 59 62 A A T 3 S+ 0 0 46 -2,-0.4 -1,-0.1 1,-0.3 247,-0.1 -0.273 109.0 10.9 -55.0 122.6 13.4 55.3 -4.9 60 63 A G T 3 S+ 0 0 13 1,-0.3 -1,-0.3 245,-0.1 278,-0.0 0.395 94.6 122.6 89.6 -3.9 16.4 53.7 -3.3 61 64 A E < - 0 0 11 -3,-2.1 -1,-0.3 44,-0.0 44,-0.1 -0.862 63.2-129.4 -94.9 116.7 15.1 54.6 0.2 62 65 A P - 0 0 6 0, 0.0 44,-2.1 0, 0.0 2,-0.6 -0.400 14.0-133.3 -67.3 137.7 14.8 51.3 2.2 63 66 A E E -cd 106 171A 0 107,-0.8 109,-3.5 42,-0.2 110,-0.8 -0.849 26.5-174.6 -99.8 124.9 11.5 50.5 3.9 64 67 A F E -cd 107 173A 0 42,-2.0 44,-2.3 -2,-0.6 2,-0.4 -0.881 5.3-170.2-119.9 148.5 11.8 49.4 7.5 65 68 A K E -cd 108 174A 0 108,-1.7 110,-1.2 -2,-0.3 2,-0.4 -0.997 11.3-166.9-144.4 141.9 9.2 48.1 10.1 66 69 A Y E -cd 109 175A 0 42,-2.2 44,-2.6 -2,-0.4 2,-0.4 -0.979 13.4-169.3-120.3 133.9 9.0 47.3 13.8 67 70 A I E +cd 110 176A 0 108,-2.4 110,-3.5 -2,-0.4 2,-0.3 -0.984 7.8 179.7-127.8 136.0 6.0 45.4 15.1 68 71 A G + 0 0 0 42,-2.5 45,-2.0 -2,-0.4 46,-0.3 -0.886 49.9 28.6-133.9 165.4 5.1 44.9 18.8 69 72 A N + 0 0 0 108,-0.4 45,-1.5 -2,-0.3 49,-0.2 0.855 54.6 150.6 60.6 42.0 2.6 43.3 21.1 70 73 A M S S+ 0 0 0 107,-0.8 2,-0.6 43,-0.2 70,-0.3 0.875 73.4 53.9 -66.2 -38.2 1.5 40.4 18.8 71 74 A H S > S- 0 0 5 3,-0.2 3,-2.0 1,-0.1 61,-0.2 -0.912 93.1-137.2 -98.9 115.7 0.9 38.5 22.0 72 75 A G T 3 S+ 0 0 0 60,-1.6 60,-0.3 -2,-0.6 -1,-0.1 0.800 97.9 45.9 -42.3 -49.3 -1.5 40.6 24.2 73 76 A N T 3 S+ 0 0 0 56,-0.1 2,-1.3 1,-0.1 -1,-0.3 0.509 87.8 91.0 -80.4 -3.6 0.3 40.1 27.5 74 77 A E < + 0 0 3 -3,-2.0 4,-0.4 1,-0.2 -5,-0.2 -0.761 53.1 161.8 -93.6 92.2 3.8 40.7 26.2 75 78 A V > + 0 0 0 199,-1.6 4,-1.8 -2,-1.3 5,-0.2 0.746 45.6 82.3 -86.4 -32.4 3.8 44.4 26.9 76 79 A V H > S+ 0 0 2 198,-1.0 4,-2.5 1,-0.2 5,-0.2 0.886 93.1 53.9 -47.1 -45.2 7.4 45.6 26.9 77 80 A G H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.961 104.2 53.0 -53.2 -59.9 7.4 45.8 23.1 78 81 A R H > S+ 0 0 0 -4,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.906 113.9 43.2 -40.5 -56.1 4.4 48.1 22.8 79 82 A E H X S+ 0 0 2 -4,-1.8 4,-3.2 1,-0.2 -1,-0.2 0.897 110.3 54.0 -64.1 -42.6 5.8 50.6 25.2 80 83 A L H X S+ 0 0 2 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.906 107.3 51.8 -60.0 -40.7 9.3 50.6 23.7 81 84 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.848 110.5 48.3 -66.1 -32.3 8.0 51.4 20.3 82 85 A L H X S+ 0 0 0 -4,-1.4 4,-2.8 -5,-0.3 -2,-0.2 0.958 109.3 52.3 -69.2 -49.8 6.0 54.3 21.7 83 86 A N H X S+ 0 0 2 -4,-3.2 4,-3.1 1,-0.2 -2,-0.2 0.894 112.1 49.0 -49.8 -40.6 9.1 55.5 23.5 84 87 A L H X S+ 0 0 1 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.929 104.9 53.8 -66.9 -49.9 10.8 55.2 20.1 85 88 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.971 116.0 43.6 -48.0 -54.4 8.1 57.1 18.2 86 89 A E H X S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.2 5,-0.3 0.979 112.3 49.4 -52.0 -71.1 8.7 59.9 20.8 87 90 A Y H X S+ 0 0 6 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.799 115.0 46.3 -38.6 -43.3 12.5 59.7 20.8 88 91 A L H X S+ 0 0 0 -4,-3.1 4,-1.4 2,-0.2 -1,-0.2 0.965 115.0 43.8 -69.1 -53.5 12.6 59.9 17.0 89 92 A C H < S+ 0 0 3 -4,-2.6 3,-0.2 -5,-0.3 -2,-0.2 0.896 115.7 49.9 -59.0 -41.8 10.1 62.8 16.7 90 93 A K H < S+ 0 0 55 -4,-3.4 4,-0.2 -5,-0.3 -1,-0.2 0.889 115.6 38.7 -69.7 -37.2 11.7 64.7 19.5 91 94 A N H X S+ 0 0 0 -4,-1.9 4,-3.4 -5,-0.3 8,-0.3 0.559 81.7 120.2 -91.8 -5.5 15.3 64.5 18.3 92 95 A F B < S+h 95 0B 47 -4,-1.4 2,-0.3 1,-0.2 5,-0.0 -0.421 90.4 5.6 -61.5 123.0 14.7 64.9 14.6 93 96 A G T 4 S+ 0 0 56 2,-0.7 -1,-0.2 -2,-0.2 -2,-0.1 -0.317 129.7 61.3 100.4 -49.6 16.6 68.1 13.6 94 97 A T T 4 S+ 0 0 106 -2,-0.3 -2,-0.2 -4,-0.2 -3,-0.1 0.923 101.9 53.2 -73.7 -49.7 18.2 68.5 17.0 95 98 A D B X S-h 92 0B 18 -4,-3.4 4,-2.1 1,-0.1 -2,-0.7 -0.785 70.7-149.6 -96.3 130.4 20.1 65.2 17.0 96 99 A P H > S+ 0 0 101 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.912 95.5 49.7 -61.5 -47.1 22.4 64.3 14.2 97 100 A E H > S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.950 114.3 43.4 -58.5 -53.5 21.9 60.5 14.4 98 101 A V H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.908 113.6 51.3 -59.5 -46.1 18.1 60.6 14.5 99 102 A T H X S+ 0 0 22 -4,-2.1 4,-1.6 -8,-0.3 -1,-0.2 0.910 110.4 49.1 -58.6 -45.3 17.9 63.2 11.7 100 103 A D H X S+ 0 0 101 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.941 112.6 48.5 -60.4 -47.5 20.2 61.1 9.5 101 104 A L H X S+ 0 0 5 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.912 110.8 48.0 -58.5 -49.9 18.0 58.0 10.2 102 105 A V H < S+ 0 0 0 -4,-2.8 -50,-1.5 1,-0.2 -49,-0.2 0.784 114.8 48.0 -66.3 -26.3 14.7 59.6 9.5 103 106 A Q H < S+ 0 0 89 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.945 116.5 38.8 -79.2 -47.7 16.0 61.1 6.3 104 107 A S H < S+ 0 0 38 -4,-2.5 2,-0.3 -5,-0.2 -2,-0.2 0.667 118.2 48.2 -75.0 -20.0 17.7 57.9 4.8 105 108 A T < - 0 0 0 -4,-1.9 2,-0.8 -5,-0.2 -53,-0.3 -0.902 67.4-138.7-126.5 152.1 15.0 55.5 5.9 106 109 A R E - c 0 63A 3 -44,-2.1 -42,-2.0 -2,-0.3 2,-0.4 -0.852 33.8-163.5-108.7 95.4 11.2 55.2 5.8 107 110 A I E -Bc 50 64A 0 -57,-1.8 -57,-3.4 -2,-0.8 2,-0.5 -0.651 9.9-168.8 -86.2 132.0 10.4 53.8 9.2 108 111 A H E -Bc 49 65A 0 -44,-2.3 -42,-2.2 -2,-0.4 2,-0.5 -0.976 5.2-169.5-122.5 121.6 7.0 52.2 10.0 109 112 A I E -Bc 48 66A 0 -61,-2.4 -61,-3.1 -2,-0.5 -42,-0.2 -0.930 12.9-177.6-119.2 124.1 6.1 51.4 13.6 110 113 A M E - c 0 67A 0 -44,-2.6 -42,-2.5 -2,-0.5 3,-0.2 -0.920 6.0-170.5-117.0 103.4 3.2 49.3 14.8 111 114 A P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 -30,-0.1 0.669 74.3 24.0 -67.0 -21.8 3.1 49.3 18.6 112 115 A S + 0 0 4 -66,-0.4 -43,-0.2 1,-0.1 -66,-0.1 -0.795 46.3 172.9-154.9 111.4 0.4 46.7 18.9 113 116 A M S S+ 0 0 0 -45,-2.0 -43,-0.2 -2,-0.3 -44,-0.1 0.665 92.1 39.6 -84.6 -20.4 -0.6 44.0 16.5 114 117 A N > + 0 0 0 -45,-1.5 4,-1.6 -46,-0.3 -1,-0.2 -0.561 64.0 155.4-129.8 70.3 -3.0 42.5 19.1 115 118 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -102,-0.2 0.787 73.5 58.7 -65.9 -29.6 -4.7 45.3 21.0 116 119 A D H > S+ 0 0 0 1,-0.2 4,-0.8 2,-0.2 18,-0.1 0.937 106.6 49.1 -64.6 -45.3 -7.7 43.3 22.0 117 120 A G H >4 S+ 0 0 0 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.897 105.4 57.8 -60.1 -43.6 -5.4 40.8 23.7 118 121 A Y H >< S+ 0 0 0 -4,-1.6 3,-2.8 1,-0.3 -1,-0.2 0.943 100.2 56.7 -52.1 -53.8 -3.7 43.6 25.6 119 122 A E H 3< S+ 0 0 57 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.737 105.0 52.6 -53.9 -25.1 -6.8 44.9 27.2 120 123 A K T << S+ 0 0 78 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.302 92.6 107.4 -94.7 11.4 -7.5 41.5 28.7 121 124 A S < - 0 0 9 -3,-2.8 2,-0.5 10,-0.2 10,-0.1 -0.527 64.6-129.6 -94.3 159.0 -4.1 41.3 30.3 122 125 A Q > - 0 0 131 8,-0.4 3,-2.2 -2,-0.2 153,-0.1 -0.906 20.4-125.7-109.7 118.6 -3.0 41.6 33.9 123 126 A E T 3 S+ 0 0 96 -2,-0.5 154,-0.1 1,-0.3 3,-0.1 -0.194 100.3 33.6 -53.9 150.7 -0.1 43.9 34.9 124 127 A G T 3 S+ 0 0 40 151,-2.2 -1,-0.3 1,-0.3 2,-0.2 0.231 81.2 144.0 85.0 -17.2 2.5 42.0 36.8 125 128 A D < + 0 0 29 -3,-2.2 150,-3.0 1,-0.2 -1,-0.3 -0.379 21.9 176.1 -57.4 122.9 1.9 38.8 34.7 126 129 A R S S- 0 0 138 148,-0.2 148,-2.1 147,-0.2 -1,-0.2 0.874 73.7 -5.5 -99.7 -47.4 5.3 37.2 34.3 127 130 A G S S+ 0 0 30 146,-0.2 -2,-0.1 147,-0.1 146,-0.1 0.380 100.2 118.8-129.6 1.1 4.7 33.9 32.4 128 131 A G - 0 0 27 -6,-0.1 146,-0.1 1,-0.1 -55,-0.1 0.308 54.8-141.5 -57.9-172.2 0.9 33.7 32.2 129 132 A T >> + 0 0 93 3,-0.0 3,-2.5 -57,-0.0 4,-0.6 0.389 50.8 129.8-136.9 -1.2 -1.2 33.6 29.0 130 133 A V T 34 S+ 0 0 86 1,-0.3 -8,-0.4 2,-0.1 -5,-0.1 -0.448 87.8 9.6 -62.1 113.4 -4.2 35.6 29.7 131 134 A G T 34 S+ 0 0 12 -2,-0.5 -59,-0.6 -10,-0.1 -1,-0.3 0.373 96.5 112.1 98.3 -3.4 -4.6 38.1 26.8 132 135 A R T <4 + 0 0 34 -3,-2.5 -60,-1.6 -60,-0.3 8,-0.3 0.979 69.1 58.3 -64.8 -56.7 -1.9 36.4 24.8 133 136 A N S < S- 0 0 38 -4,-0.6 -61,-0.2 -62,-0.2 6,-0.2 -0.040 95.9 -98.2 -66.4 174.9 -4.3 35.1 22.1 134 137 A N > - 0 0 6 4,-2.2 3,-2.1 -18,-0.1 -1,-0.1 -0.221 49.9 -80.2 -86.5-177.7 -6.5 37.3 20.0 135 138 A S T 3 S+ 0 0 36 1,-0.3 -2,-0.1 2,-0.1 -1,-0.0 0.769 134.4 45.0 -55.8 -29.6 -10.2 38.0 20.7 136 139 A N T 3 S- 0 0 84 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.343 122.3-109.6 -94.4 1.8 -11.3 34.7 19.1 137 140 A N S < S+ 0 0 110 -3,-2.1 2,-0.3 1,-0.2 -2,-0.1 0.943 70.3 134.1 69.1 55.9 -8.5 33.0 21.0 138 141 A Y - 0 0 74 -6,-0.1 -4,-2.2 15,-0.0 2,-0.9 -0.937 62.2-110.3-128.0 150.2 -6.0 32.1 18.3 139 142 A D >> - 0 0 19 -2,-0.3 3,-2.6 -6,-0.2 4,-0.6 -0.737 22.1-154.7 -83.1 104.3 -2.2 32.6 18.6 140 143 A L T 34 S+ 0 0 1 -2,-0.9 -1,-0.2 -70,-0.3 4,-0.1 0.696 95.0 58.4 -55.2 -16.2 -1.5 35.3 16.0 141 144 A N T 34 S+ 0 0 10 1,-0.2 -1,-0.3 2,-0.1 113,-0.1 0.117 109.4 41.5-100.6 21.2 2.0 33.9 15.9 142 145 A R T <4 S+ 0 0 54 -3,-2.6 11,-0.3 110,-0.1 110,-0.2 0.113 97.3 85.3-137.8 0.5 0.8 30.5 14.8 143 146 A N < + 0 0 6 -4,-0.6 109,-0.2 -3,-0.1 -2,-0.1 0.531 67.6 92.2 -87.9 -6.8 -1.8 32.0 12.5 144 147 A F S S- 0 0 0 107,-3.3 2,-0.3 -4,-0.1 7,-0.2 -0.504 90.2 -90.8 -88.9 158.1 0.4 32.5 9.4 145 148 A P - 0 0 72 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.511 48.3-147.7 -66.8 126.1 0.8 30.0 6.5 146 149 A D - 0 0 24 3,-0.4 5,-0.1 -2,-0.3 107,-0.0 -0.636 13.9-135.5 -95.9 154.1 3.8 27.9 7.5 147 150 A Q S S+ 0 0 78 -2,-0.2 -1,-0.1 3,-0.1 3,-0.1 0.771 100.5 19.1 -80.2 -24.7 6.2 26.3 5.0 148 151 A F S S+ 0 0 81 1,-0.1 2,-0.1 43,-0.0 44,-0.1 0.840 120.2 49.6-106.5 -64.8 6.2 22.9 6.7 149 152 A F S S- 0 0 120 1,-0.1 2,-0.8 42,-0.0 -3,-0.4 -0.392 83.1-124.6 -72.6 154.0 3.2 22.4 8.9 150 153 A Q - 0 0 148 -5,-0.1 -3,-0.1 -2,-0.1 -1,-0.1 -0.889 28.1-129.2-109.1 106.9 -0.2 23.3 7.3 151 154 A V + 0 0 29 -2,-0.8 -8,-0.1 -7,-0.2 100,-0.1 -0.165 28.1 177.3 -55.6 141.4 -2.0 25.8 9.5 152 155 A T + 0 0 105 2,-0.1 -1,-0.1 -7,-0.0 -9,-0.1 0.650 46.1 103.4-117.7 -31.0 -5.5 25.2 10.6 153 156 A D S S- 0 0 56 -11,-0.3 3,-0.1 1,-0.1 -15,-0.0 -0.380 85.5-103.3 -57.2 135.0 -6.5 28.0 12.8 154 157 A P - 0 0 60 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.298 44.4 -91.4 -60.6 145.1 -8.8 30.3 10.7 155 158 A P - 0 0 81 0, 0.0 -11,-0.1 0, 0.0 -15,-0.0 -0.432 45.2-141.0 -62.4 125.4 -7.1 33.4 9.5 156 159 A Q > - 0 0 7 -2,-0.2 4,-2.9 -13,-0.1 5,-0.2 -0.554 16.8-117.2 -88.4 153.9 -7.6 36.2 12.0 157 160 A P H > S+ 0 0 43 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.841 116.4 52.7 -57.7 -36.4 -8.3 39.9 11.0 158 161 A E H > S+ 0 0 0 2,-0.2 4,-2.0 3,-0.2 5,-0.1 0.902 112.5 46.5 -67.5 -37.4 -5.1 41.1 12.7 159 162 A T H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.993 115.5 43.5 -65.1 -61.3 -3.2 38.5 10.7 160 163 A L H X S+ 0 0 85 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.897 111.7 55.0 -49.2 -48.1 -4.9 39.3 7.3 161 164 A A H X S+ 0 0 11 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.940 113.6 41.9 -50.9 -51.7 -4.5 43.0 8.0 162 165 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.820 109.8 55.3 -67.6 -38.6 -0.8 42.6 8.5 163 166 A M H X S+ 0 0 31 -4,-2.7 4,-1.1 2,-0.2 3,-0.2 0.977 109.9 47.7 -59.4 -52.2 -0.2 40.2 5.6 164 167 A S H >X S+ 0 0 74 -4,-2.5 4,-2.0 1,-0.3 3,-1.4 0.936 110.5 52.9 -50.8 -51.6 -1.8 42.7 3.3 165 168 A W H 3X S+ 0 0 2 -4,-2.0 4,-1.1 1,-0.3 -1,-0.3 0.871 103.1 56.6 -54.2 -40.3 0.4 45.4 4.8 166 169 A L H 3< S+ 0 0 3 -4,-2.4 5,-0.3 -3,-0.2 -1,-0.3 0.753 111.2 45.1 -66.5 -19.9 3.6 43.3 4.2 167 170 A K H << S+ 0 0 135 -3,-1.4 -1,-0.2 -4,-1.1 -2,-0.2 0.782 102.7 66.0 -89.1 -33.1 2.6 43.3 0.6 168 171 A T H < S+ 0 0 68 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.1 0.772 105.1 38.0 -60.8 -33.4 1.7 47.0 0.4 169 172 A Y S < S- 0 0 39 -4,-1.1 2,-1.6 164,-0.0 0, 0.0 -0.897 84.1-112.3-126.0 155.9 5.3 48.3 1.0 170 173 A P - 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