==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-FEB-00 1EGQ . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: ENGYODONTIUM ALBUM; . AUTHOR R.K.SINGH,S.GOURINATH,S.SHARMA,I.RAY,M.N.GUPTA,T.P.SINGH . 279 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10253.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.1 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 . 3 1.1 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 . 20 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 20.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 0 0 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 1 3 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 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 A 0 0 33 0, 0.0 24,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 155.5 56.3 59.0 10.0 2 2 A A E -A 24 0A 63 22,-0.2 2,-0.7 2,-0.0 22,-0.2 -0.977 360.0-157.2-145.8 129.0 58.5 60.5 12.7 3 3 A Q E > -A 23 0A 30 20,-2.5 20,-2.6 -2,-0.4 3,-0.6 -0.920 21.2-148.6-106.1 112.9 57.6 62.1 16.1 4 4 A T T 3 S+ 0 0 96 -2,-0.7 18,-0.2 1,-0.2 -2,-0.0 -0.497 77.8 14.1 -79.7 150.4 60.4 64.3 17.2 5 5 A N T 3 S+ 0 0 130 -2,-0.2 -1,-0.2 1,-0.1 17,-0.2 0.900 91.8 168.8 52.3 44.1 61.2 64.8 20.9 6 6 A A < - 0 0 9 15,-2.6 -1,-0.1 -3,-0.6 76,-0.1 -0.391 47.5 -76.8 -83.7 163.6 59.0 61.7 21.6 7 7 A P >> - 0 0 19 0, 0.0 4,-1.9 0, 0.0 3,-0.8 -0.331 49.5-115.1 -55.9 143.5 58.9 59.9 25.0 8 8 A W H 3> S+ 0 0 33 1,-0.2 4,-2.8 199,-0.2 5,-0.1 0.830 112.4 60.0 -54.4 -35.3 62.1 57.9 25.3 9 9 A G H 3> S+ 0 0 2 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.879 105.8 46.2 -61.3 -40.9 60.1 54.6 25.3 10 10 A L H <> S+ 0 0 0 -3,-0.8 4,-0.6 2,-0.2 14,-0.2 0.918 113.5 49.9 -67.7 -42.7 58.6 55.2 21.9 11 11 A A H >< S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.909 108.8 53.7 -61.6 -40.7 62.0 56.3 20.5 12 12 A R H >< S+ 0 0 4 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.869 102.6 55.1 -63.7 -39.6 63.6 53.1 21.9 13 13 A I H 3< S+ 0 0 2 -4,-1.7 262,-3.3 1,-0.3 263,-0.3 0.602 111.4 45.9 -72.5 -9.0 61.1 50.7 20.3 14 14 A S T << S+ 0 0 8 -3,-1.0 2,-0.3 -4,-0.6 -1,-0.3 0.113 107.2 72.1-116.4 18.9 62.0 52.2 16.9 15 15 A S < - 0 0 15 -3,-1.5 242,-0.1 1,-0.1 261,-0.1 -0.962 65.7-146.9-134.0 151.1 65.7 52.2 17.4 16 16 A T S S+ 0 0 87 -2,-0.3 -1,-0.1 2,-0.1 -4,-0.1 0.582 90.9 45.1 -89.7 -9.7 68.4 49.6 17.5 17 17 A S S > S- 0 0 55 240,-0.0 3,-0.5 -3,-0.0 -3,-0.1 -0.952 84.7-114.0-134.5 152.9 70.3 51.7 20.1 18 18 A P T 3 S+ 0 0 57 0, 0.0 168,-0.1 0, 0.0 -2,-0.1 -0.301 86.3 54.5 -77.8 166.9 69.4 53.6 23.2 19 19 A G T 3 S+ 0 0 81 166,-0.4 2,-0.2 1,-0.3 167,-0.0 0.438 71.7 124.5 93.1 -1.3 69.6 57.4 23.5 20 20 A T < - 0 0 52 -3,-0.5 -1,-0.3 -12,-0.1 -9,-0.1 -0.532 43.0-161.4 -90.2 161.4 67.5 58.5 20.5 21 21 A S + 0 0 61 -2,-0.2 -15,-2.6 -10,-0.1 2,-0.5 0.317 60.3 90.4-124.2 6.6 64.6 60.9 20.9 22 22 A T - 0 0 27 -17,-0.2 2,-0.7 -18,-0.2 -18,-0.2 -0.910 61.4-147.0-111.5 131.7 62.7 60.3 17.6 23 23 A Y E -A 3 0A 0 -20,-2.6 -20,-2.5 -2,-0.5 2,-0.5 -0.852 15.2-164.0 -98.1 111.1 59.9 57.8 17.2 24 24 A Y E +A 2 0A 107 -2,-0.7 2,-0.3 -22,-0.2 -22,-0.2 -0.827 23.6 149.0 -96.1 129.2 59.9 56.4 13.7 25 25 A Y - 0 0 37 -24,-2.2 2,-0.3 -2,-0.5 60,-0.0 -0.986 49.2 -92.3-156.2 160.7 56.7 54.5 12.7 26 26 A D > - 0 0 53 -2,-0.3 3,-2.1 1,-0.1 4,-0.1 -0.610 35.0-125.6 -79.3 136.0 54.5 53.7 9.8 27 27 A E T 3 S+ 0 0 93 -2,-0.3 -1,-0.1 1,-0.3 -25,-0.0 0.687 103.4 78.0 -53.0 -24.8 51.6 56.1 9.3 28 28 A S T > S- 0 0 23 1,-0.1 3,-2.3 2,-0.1 -1,-0.3 0.862 75.2-176.1 -54.3 -34.5 49.0 53.3 9.4 29 29 A A T < - 0 0 0 -3,-2.1 58,-2.7 1,-0.3 59,-0.4 0.729 63.8 -57.4 42.1 39.5 49.6 53.5 13.1 30 30 A G T > S+ 0 0 0 206,-0.3 3,-1.7 1,-0.2 59,-0.3 0.636 84.4 160.6 75.3 13.1 47.4 50.6 14.1 31 31 A Q T < + 0 0 97 -3,-2.3 -1,-0.2 1,-0.2 57,-0.2 -0.453 65.1 33.3 -69.0 142.1 44.2 51.8 12.5 32 32 A G T 3 S+ 0 0 32 1,-0.5 93,-2.0 55,-0.4 94,-0.5 0.159 102.5 97.7 99.1 -19.6 41.7 49.0 11.9 33 33 A S E < -b 126 0B 1 -3,-1.7 56,-1.9 92,-0.2 -1,-0.5 -0.569 61.5-145.4 -98.3 165.5 42.9 47.2 15.1 34 34 A a E -bc 127 89B 1 92,-2.0 94,-2.7 -2,-0.2 2,-0.5 -0.996 6.7-164.1-133.6 138.6 41.4 47.2 18.5 35 35 A V E -bc 128 90B 0 54,-2.8 56,-2.3 -2,-0.4 2,-0.5 -0.976 8.4-153.4-126.6 119.0 43.0 47.1 21.9 36 36 A Y E -bc 129 91B 0 92,-3.1 94,-2.9 -2,-0.5 2,-0.7 -0.797 7.9-156.4 -88.3 126.1 41.1 46.3 25.0 37 37 A V E -bc 130 92B 1 54,-3.0 56,-2.3 -2,-0.5 2,-1.0 -0.934 5.2-164.0-106.2 108.1 42.7 47.9 28.0 38 38 A I E + c 0 93B 0 92,-1.9 94,-0.4 -2,-0.7 56,-0.2 -0.836 51.2 89.6 -95.2 101.1 41.6 45.8 31.0 39 39 A D E S- c 0 94B 1 54,-1.9 57,-2.1 -2,-1.0 56,-1.7 -0.522 96.0 -36.2-159.0-138.1 42.4 48.0 33.9 40 40 A T S S- 0 0 0 1,-0.4 26,-0.4 54,-0.2 27,-0.3 0.362 96.6 -94.4 -89.2 5.1 40.9 50.9 36.0 41 41 A G - 0 0 0 52,-0.4 -1,-0.4 -4,-0.2 2,-0.4 -0.572 39.0 -91.1 110.4-177.2 39.1 52.3 33.0 42 42 A I - 0 0 3 21,-0.5 2,-2.0 -2,-0.2 3,-0.1 -0.999 17.6-129.8-140.7 134.7 40.0 55.0 30.5 43 43 A E > - 0 0 41 -2,-0.4 3,-2.2 1,-0.2 6,-0.2 -0.630 33.0-176.8 -82.1 83.8 39.2 58.7 30.6 44 44 A A T 3 S+ 0 0 30 -2,-2.0 7,-0.4 1,-0.3 9,-0.4 0.718 72.5 65.6 -57.6 -24.0 37.8 58.6 27.1 45 45 A S T 3 S+ 0 0 104 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.548 70.6 122.7 -78.0 -6.8 37.2 62.3 27.0 46 46 A H X - 0 0 10 -3,-2.2 3,-2.5 1,-0.2 4,-0.4 -0.364 68.4-132.0 -58.7 127.3 41.0 63.0 27.2 47 47 A P G > S+ 0 0 102 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.797 102.7 69.1 -49.3 -32.7 41.9 65.1 24.1 48 48 A E G 3 S+ 0 0 19 1,-0.3 32,-2.6 2,-0.1 34,-0.1 0.650 93.7 55.5 -64.9 -16.2 44.9 62.8 23.5 49 49 A F G X S- 0 0 0 -3,-2.5 3,-2.9 30,-0.2 -1,-0.3 0.559 91.5-148.9 -93.6 -9.8 42.5 60.0 22.5 50 50 A E T < - 0 0 104 -3,-1.4 -2,-0.1 -4,-0.4 -5,-0.1 0.756 67.7 -57.3 48.8 32.4 40.8 62.0 19.8 51 51 A G T 3 S+ 0 0 68 -7,-0.4 -1,-0.3 -5,-0.4 -6,-0.1 0.576 114.3 114.9 77.9 9.7 37.5 60.2 20.3 52 52 A R < + 0 0 34 -3,-2.9 38,-2.8 -8,-0.1 2,-0.3 0.398 61.0 74.5 -91.5 2.0 39.2 56.8 19.6 53 53 A A E +d 90 0B 9 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.872 53.2 165.2-117.8 148.7 38.6 55.5 23.1 54 54 A Q E -d 91 0B 84 36,-1.6 38,-2.5 -2,-0.3 2,-0.3 -0.963 36.3-115.8-160.3 144.7 35.4 54.3 24.8 55 55 A M E +d 92 0B 38 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.655 30.4 173.1 -80.3 135.4 34.4 52.4 27.9 56 56 A V E + 0 0 28 36,-2.7 2,-0.3 1,-0.4 37,-0.2 0.596 61.5 10.8-116.1 -22.4 32.6 49.2 27.0 57 57 A K E -d 93 0B 77 35,-1.3 37,-2.5 6,-0.1 -1,-0.4 -0.967 54.0-170.3-161.5 141.6 32.2 47.4 30.3 58 58 A T E -d 94 0B 32 -2,-0.3 37,-0.1 35,-0.2 5,-0.1 -0.990 15.8-165.6-135.2 146.3 32.5 48.1 34.0 59 59 A Y S S+ 0 0 69 35,-1.7 2,-0.2 -2,-0.4 36,-0.1 0.153 77.8 61.2-111.3 13.3 32.3 45.8 37.0 60 60 A Y S S- 0 0 65 2,-0.3 -2,-0.1 34,-0.1 34,-0.1 -0.663 104.1 -81.6-128.4-176.3 31.9 48.8 39.4 61 61 A Y S S+ 0 0 244 -2,-0.2 2,-0.3 2,-0.0 -3,-0.0 0.800 110.3 22.5 -59.4 -34.8 29.4 51.6 40.0 62 62 A S - 0 0 27 2,-0.2 -2,-0.3 1,-0.0 -3,-0.2 -0.906 63.3-136.8-133.7 161.8 30.9 53.8 37.3 63 63 A S S S+ 0 0 52 -2,-0.3 -21,-0.5 -5,-0.1 2,-0.1 0.377 70.4 117.1 -96.0 0.6 32.9 53.4 34.1 64 64 A R - 0 0 167 -23,-0.1 2,-1.0 1,-0.1 -2,-0.2 -0.403 69.9-126.6 -71.3 143.9 35.0 56.4 35.0 65 65 A D + 0 0 10 1,-0.2 -24,-0.1 -23,-0.1 -1,-0.1 -0.815 34.7 169.6 -90.0 102.5 38.7 55.9 35.6 66 66 A G S S+ 0 0 41 -2,-1.0 -1,-0.2 -26,-0.4 -25,-0.1 0.320 72.4 50.4 -96.0 8.3 39.1 57.5 39.1 67 67 A N S S- 0 0 43 -27,-0.3 146,-0.1 30,-0.0 -1,-0.1 0.814 88.3-138.4-107.7 -56.5 42.7 56.2 39.4 68 68 A G S > S+ 0 0 0 144,-0.1 4,-2.6 -28,-0.1 5,-0.2 -0.036 75.6 101.6 118.0 -29.8 44.6 57.1 36.3 69 69 A H H > S+ 0 0 39 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.915 85.3 45.5 -52.8 -50.6 46.5 53.8 35.8 70 70 A G H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.896 112.7 50.6 -62.6 -40.8 44.2 52.6 33.0 71 71 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 140,-0.3 0.879 110.6 50.4 -64.8 -37.3 44.3 56.0 31.3 72 72 A H H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 139,-0.4 0.949 113.0 45.0 -66.0 -48.5 48.1 56.0 31.5 73 73 A C H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 3,-0.3 0.922 112.8 50.5 -61.5 -45.2 48.3 52.5 30.0 74 74 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.880 107.2 56.8 -59.7 -37.9 45.7 53.3 27.3 75 75 A G H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.874 105.7 48.4 -61.3 -38.9 47.8 56.4 26.5 76 76 A T H < S+ 0 0 0 -4,-1.7 8,-2.2 -3,-0.3 -1,-0.2 0.818 112.1 51.4 -72.7 -29.1 50.9 54.3 25.8 77 77 A V H < S- 0 0 0 -4,-1.7 8,-3.0 6,-0.2 7,-0.3 0.975 138.2 -18.9 -70.4 -54.5 48.9 52.0 23.6 78 78 A G H < S+ 0 0 0 -4,-2.8 -3,-0.2 5,-0.2 -2,-0.2 0.155 81.6 132.5-150.8 34.0 47.4 54.6 21.4 79 79 A S X - 0 0 0 -4,-2.4 4,-1.5 -5,-0.2 -30,-0.2 -0.507 63.1-113.6 -79.1 159.8 47.2 58.3 22.6 80 80 A R T 4 S+ 0 0 115 -32,-2.6 6,-0.1 1,-0.2 -1,-0.1 0.964 108.7 24.3 -58.2 -56.4 48.3 60.8 19.9 81 81 A T T 4 S+ 0 0 35 1,-0.1 -1,-0.2 -33,-0.1 5,-0.0 0.840 135.0 30.4 -81.5 -34.4 51.4 62.0 21.6 82 82 A Y T 4 S+ 0 0 35 -7,-0.1 2,-0.2 -34,-0.1 -2,-0.2 0.430 97.0 102.3-109.0 2.8 52.3 59.1 24.0 83 83 A G < - 0 0 0 -4,-1.5 3,-0.3 1,-0.1 -6,-0.2 -0.549 57.5-149.0 -97.4 155.9 51.1 56.1 22.1 84 84 A V S S+ 0 0 0 -8,-2.2 2,-0.8 -7,-0.3 -6,-0.2 0.917 101.4 36.2 -77.5 -49.9 52.7 53.4 20.1 85 85 A A S > S- 0 0 0 -8,-3.0 3,-1.6 -9,-0.2 -1,-0.3 -0.789 75.2-175.4-109.1 86.2 49.7 52.8 17.8 86 86 A K T 3 S+ 0 0 14 -2,-0.8 -56,-0.2 -3,-0.3 -1,-0.1 0.490 77.8 40.9 -64.1 -6.6 48.3 56.3 17.4 87 87 A K T 3 S+ 0 0 97 -58,-2.7 -55,-0.4 2,-0.1 -1,-0.3 0.231 84.3 120.4-126.4 14.7 45.3 55.4 15.3 88 88 A T < - 0 0 1 -3,-1.6 2,-0.5 -59,-0.4 -54,-0.2 -0.280 66.5-111.6 -76.2 164.6 44.1 52.2 17.1 89 89 A Q E -c 34 0B 54 -56,-1.9 -54,-2.8 -59,-0.3 2,-0.5 -0.866 31.3-151.3 -97.9 129.4 40.6 51.9 18.6 90 90 A L E -cd 35 53B 0 -38,-2.8 -36,-1.6 -2,-0.5 2,-0.5 -0.896 11.4-171.1-108.8 129.2 40.7 51.6 22.4 91 91 A F E -cd 36 54B 10 -56,-2.3 -54,-3.0 -2,-0.5 2,-0.4 -0.971 13.8-146.3-117.9 128.1 38.1 49.8 24.5 92 92 A G E -cd 37 55B 0 -38,-2.5 -36,-2.7 -2,-0.5 -35,-1.3 -0.792 14.3-175.9 -99.6 135.4 38.1 50.1 28.2 93 93 A V E -cd 38 57B 0 -56,-2.3 -54,-1.9 -2,-0.4 2,-1.1 -0.974 17.1-149.2-127.4 112.3 37.1 47.3 30.5 94 94 A K E +cd 39 58B 4 -37,-2.5 -35,-1.7 -2,-0.5 -54,-0.2 -0.714 41.2 143.3 -89.7 97.8 37.1 48.4 34.2 95 95 A V + 0 0 0 -56,-1.7 2,-0.4 -2,-1.1 8,-0.2 0.470 61.5 69.3-106.5 -9.4 38.0 45.3 36.2 96 96 A L S S- 0 0 9 -57,-2.1 6,-0.2 -3,-0.2 -37,-0.1 -0.904 81.2-128.8-111.6 139.5 40.0 47.3 38.7 97 97 A D > - 0 0 41 4,-3.5 3,-2.1 -2,-0.4 -2,-0.1 -0.118 41.7 -85.5 -75.2-179.1 38.5 49.8 41.2 98 98 A D T 3 S+ 0 0 66 1,-0.3 -1,-0.1 2,-0.1 -29,-0.1 0.470 128.4 60.7 -70.0 1.0 39.8 53.3 41.6 99 99 A N T 3 S- 0 0 141 2,-0.2 -1,-0.3 -32,-0.0 3,-0.1 0.336 120.1-108.3-104.3 2.2 42.4 52.2 44.0 100 100 A G S < S+ 0 0 32 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.577 81.5 115.8 83.6 11.0 43.9 50.0 41.4 101 101 A S + 0 0 62 32,-0.1 -4,-3.5 -61,-0.0 2,-0.3 -0.783 33.1 167.8-115.0 157.6 42.7 46.7 42.9 102 102 A G - 0 0 29 -2,-0.3 2,-0.2 -6,-0.2 -6,-0.1 -0.976 33.9-109.7-162.0 150.4 40.4 44.0 41.8 103 103 A Q >> - 0 0 120 -2,-0.3 4,-2.0 -8,-0.2 3,-0.6 -0.549 32.0-117.3 -84.0 152.2 39.4 40.4 42.7 104 104 A Y H 3> S+ 0 0 68 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.825 110.3 62.8 -57.3 -33.9 40.4 37.5 40.5 105 105 A S H 3> S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 109.1 38.7 -61.6 -42.0 36.8 36.6 39.8 106 106 A T H <> S+ 0 0 15 -3,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.849 114.0 54.9 -79.0 -29.4 36.0 39.9 38.1 107 107 A I H X S+ 0 0 7 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.929 111.9 45.1 -64.5 -41.9 39.4 40.0 36.4 108 108 A I H X S+ 0 0 29 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.939 111.7 52.0 -64.8 -45.5 38.5 36.6 35.0 109 109 A A H X S+ 0 0 34 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.910 107.3 54.0 -56.7 -42.5 35.0 37.8 34.1 110 110 A G H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.865 109.1 47.3 -61.0 -38.6 36.6 40.8 32.3 111 111 A M H X S+ 0 0 0 -4,-1.7 4,-2.0 -3,-0.2 -1,-0.2 0.919 112.5 48.2 -69.6 -43.3 38.7 38.5 30.2 112 112 A D H X S+ 0 0 64 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.877 109.8 55.7 -63.0 -35.7 35.8 36.2 29.3 113 113 A F H X S+ 0 0 46 -4,-2.6 4,-3.7 -5,-0.3 3,-0.4 0.929 106.4 48.2 -62.5 -46.5 33.9 39.3 28.5 114 114 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.896 105.4 59.0 -61.9 -39.8 36.5 40.5 26.0 115 115 A A H < S+ 0 0 20 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.849 118.1 32.4 -57.9 -33.9 36.6 37.1 24.3 116 116 A S H >< S+ 0 0 71 -4,-1.3 3,-1.6 -3,-0.4 4,-0.2 0.888 114.3 56.6 -88.4 -46.8 32.9 37.5 23.6 117 117 A D H >< S+ 0 0 11 -4,-3.7 3,-2.1 1,-0.3 -3,-0.2 0.793 94.3 67.1 -57.9 -33.4 32.6 41.2 23.1 118 118 A K G >< S+ 0 0 33 -4,-2.1 3,-1.4 1,-0.3 -1,-0.3 0.780 88.5 70.0 -59.9 -25.3 35.2 41.3 20.3 119 119 A N G < S+ 0 0 113 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.680 102.3 42.6 -66.9 -18.4 32.6 39.3 18.3 120 120 A N G < S+ 0 0 112 -3,-2.1 2,-0.3 -4,-0.2 -1,-0.3 0.131 100.5 86.9-115.0 22.1 30.4 42.4 18.0 121 121 A R S < S- 0 0 80 -3,-1.4 2,-1.0 2,-0.1 -87,-0.0 -0.857 79.1-120.5-117.3 153.4 33.1 45.0 17.3 122 122 A N + 0 0 147 -2,-0.3 -90,-0.1 1,-0.1 -3,-0.1 -0.795 49.9 147.7 -97.9 97.2 34.5 46.0 14.0 123 123 A a > + 0 0 19 -2,-1.0 3,-1.6 -5,-0.2 -89,-0.2 -0.629 14.8 173.6-130.4 71.7 38.3 45.2 14.3 124 124 A P T 3 S+ 0 0 87 0, 0.0 -91,-0.2 0, 0.0 -1,-0.1 0.809 78.6 44.6 -46.4 -43.7 39.4 44.2 10.7 125 125 A K T 3 S- 0 0 99 -93,-2.0 -92,-0.2 1,-0.3 2,-0.2 0.512 121.1 -83.2 -87.4 -5.5 43.1 44.0 11.6 126 126 A G E < -b 33 0B 18 -3,-1.6 -92,-2.0 -94,-0.5 2,-0.4 -0.544 35.7 -90.9 127.3 166.5 42.8 42.1 14.9 127 127 A V E -be 34 153B 12 25,-0.5 27,-2.6 -94,-0.2 2,-0.3 -0.962 28.9-172.6-124.7 135.7 42.2 42.4 18.6 128 128 A V E -be 35 154B 0 -94,-2.7 -92,-3.1 -2,-0.4 2,-0.4 -0.905 8.9-156.0-123.4 149.5 44.7 42.9 21.4 129 129 A A E -be 36 155B 0 25,-3.0 27,-2.5 -2,-0.3 2,-0.6 -0.999 6.3-159.4-128.4 127.6 44.2 42.8 25.1 130 130 A S E -be 37 156B 1 -94,-2.9 -92,-1.9 -2,-0.4 2,-0.6 -0.946 7.7-174.8-111.5 120.1 46.6 44.6 27.4 131 131 A L E + e 0 157B 0 25,-2.8 27,-2.0 -2,-0.6 2,-1.4 -0.839 10.4 175.4-119.2 93.4 46.6 43.5 31.0 132 132 A S + 0 0 3 -2,-0.6 2,-0.3 -94,-0.4 92,-0.1 -0.553 58.3 80.0 -93.5 66.3 48.8 45.6 33.2 133 133 A L + 0 0 21 -2,-1.4 25,-0.4 25,-0.1 2,-0.3 -0.948 44.3 141.2-157.3 173.2 47.8 43.7 36.3 134 134 A G - 0 0 51 -2,-0.3 2,-0.2 37,-0.1 3,-0.1 -0.883 14.1-174.2 160.8 169.4 48.5 40.6 38.2 135 135 A G E -K 170 0C 23 35,-2.2 35,-2.5 -2,-0.3 37,-0.2 -0.795 52.1 -19.8-161.6-157.7 49.0 39.0 41.6 136 136 A G E S-K 169 0C 45 -2,-0.2 33,-0.3 33,-0.2 -1,-0.2 -0.126 87.4 -69.9 -60.1 159.0 50.0 35.6 43.1 137 137 A Y + 0 0 135 31,-1.5 2,-0.3 32,-0.2 -1,-0.2 -0.182 56.1 171.4 -52.6 137.1 49.8 32.5 41.0 138 138 A S > - 0 0 23 -3,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.912 28.5-155.7-151.0 118.0 46.2 31.3 40.2 139 139 A S H > S+ 0 0 75 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.843 98.9 55.3 -64.7 -30.5 45.5 28.5 37.8 140 140 A S H > S+ 0 0 72 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.894 108.8 45.6 -68.2 -41.8 42.1 30.0 37.2 141 141 A V H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.920 113.9 49.3 -67.9 -42.6 43.5 33.3 36.2 142 142 A N H X S+ 0 0 7 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.921 110.0 52.1 -60.9 -43.1 46.0 31.7 34.0 143 143 A S H X S+ 0 0 52 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.880 108.1 51.1 -61.1 -39.3 43.3 29.6 32.4 144 144 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.891 110.8 47.9 -65.6 -40.2 41.2 32.7 31.7 145 145 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.901 111.7 50.9 -66.7 -39.6 44.2 34.4 30.0 146 146 A A H X S+ 0 0 25 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.884 109.7 50.5 -64.0 -40.0 44.8 31.2 28.0 147 147 A R H X S+ 0 0 103 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.923 109.6 49.9 -64.1 -45.3 41.1 31.2 26.9 148 148 A L H <>S+ 0 0 0 -4,-2.3 5,-1.3 2,-0.2 4,-0.2 0.930 113.5 45.9 -59.7 -45.2 41.3 34.8 25.8 149 149 A Q H ><5S+ 0 0 26 -4,-2.3 3,-1.9 1,-0.2 4,-0.4 0.945 112.3 51.4 -61.8 -47.4 44.4 34.1 23.8 150 150 A S H 3<5S+ 0 0 107 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.794 99.7 65.1 -60.2 -30.1 42.8 30.9 22.4 151 151 A S T 3<5S- 0 0 42 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.537 128.7 -91.3 -73.2 -6.3 39.7 33.0 21.4 152 152 A G T < 5S+ 0 0 40 -3,-1.9 -25,-0.5 1,-0.3 2,-0.4 0.680 85.9 126.1 105.4 22.6 41.9 34.9 18.9 153 153 A V E < -e 127 0B 0 -5,-1.3 2,-0.9 -4,-0.4 -1,-0.3 -0.927 61.6-124.8-115.0 136.1 43.0 37.9 21.0 154 154 A M E -e 128 0B 2 -27,-2.6 -25,-3.0 -2,-0.4 2,-0.6 -0.709 32.3-157.9 -79.5 111.1 46.7 38.8 21.3 155 155 A V E -e 129 0B 0 -2,-0.9 23,-2.7 90,-0.2 2,-0.5 -0.830 13.9-177.4 -98.6 121.2 47.1 38.9 25.1 156 156 A A E -ef 130 178B 0 -27,-2.5 -25,-2.8 -2,-0.6 2,-0.3 -0.965 9.6-176.7-115.1 129.4 50.0 40.9 26.6 157 157 A V E -ef 131 179B 0 21,-3.0 23,-3.0 -2,-0.5 -25,-0.2 -0.945 29.5-105.9-129.9 150.3 50.5 40.8 30.3 158 158 A A E - f 0 180B 5 -27,-2.0 14,-0.2 -25,-0.4 23,-0.2 -0.463 18.8-141.6 -71.9 141.2 52.8 42.5 32.8 159 159 A A - 0 0 0 21,-2.4 -1,-0.1 1,-0.2 22,-0.1 0.800 52.2-108.3 -72.0 -27.5 55.5 40.3 34.2 160 160 A G - 0 0 16 20,-0.4 34,-2.3 34,-0.1 3,-0.3 -0.236 12.8-105.9 113.7 156.0 55.1 41.9 37.6 161 161 A N S S+ 0 0 72 32,-0.2 32,-0.2 1,-0.2 -1,-0.1 -0.210 83.5 102.0-113.2 44.3 57.2 44.4 39.7 162 162 A N S S- 0 0 81 2,-0.2 31,-0.2 -3,-0.1 -1,-0.2 0.314 84.0-123.8-108.0 8.4 58.7 42.1 42.4 163 163 A N S S+ 0 0 79 29,-2.0 2,-0.2 -3,-0.3 31,-0.2 0.910 78.8 108.2 48.0 44.2 62.2 41.7 41.0 164 164 A A S S- 0 0 28 28,-0.2 31,-2.4 -4,-0.1 2,-0.4 -0.811 83.8 -65.7-138.7 178.0 61.5 37.9 41.1 165 165 A D B > -l 195 0D 40 -2,-0.2 3,-1.5 29,-0.2 31,-0.2 -0.575 39.5-143.0 -72.5 123.8 60.7 35.0 38.9 166 166 A A G > S+ 0 0 0 29,-3.1 3,-2.2 -2,-0.4 7,-0.2 0.577 84.8 91.8 -64.5 -9.8 57.4 35.6 37.2 167 167 A R G 3 S+ 0 0 141 1,-0.3 -1,-0.3 28,-0.3 6,-0.1 0.713 83.9 55.1 -58.8 -19.6 56.6 31.9 37.4 168 168 A N G < S+ 0 0 101 -3,-1.5 -31,-1.5 -31,-0.1 2,-0.3 0.220 100.0 74.6 -99.7 14.6 54.9 32.7 40.8 169 169 A Y E <> S-K 136 0C 58 -3,-2.2 4,-2.6 -33,-0.3 -33,-0.2 -0.933 76.1-100.7-130.2 152.8 52.5 35.3 39.4 170 170 A S E 4 S-K 135 0C 0 -35,-2.5 -35,-2.2 -2,-0.3 -31,-0.1 -0.972 92.7 -0.1-129.4 146.7 49.4 35.4 37.3 171 171 A P T >4 S+ 0 0 1 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 -0.976 123.5 71.4 -80.7 10.7 48.5 35.9 34.5 172 172 A A T 34 S+ 0 0 3 1,-0.3 -2,-0.3 -14,-0.2 7,-0.1 0.854 96.0 54.2 -50.4 -41.4 52.3 36.5 34.0 173 173 A S T 3< S+ 0 0 13 -4,-2.6 -1,-0.3 -7,-0.2 -3,-0.1 0.480 76.2 110.8 -76.9 -4.0 53.0 32.8 34.4 174 174 A E X - 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