==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-SEP-99 1D2K . COMPND 2 MOLECULE: CHITINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: COCCIDIOIDES IMMITIS; . AUTHOR T.HOLLIS,A.F.MONZINGO,K.BORTONE,S.R.ERNST,R.COX,J.D.ROBERTUS . 392 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16058.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 1 0.3 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 . 30 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.3 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 5 1 0 0 1 0 1 0 1 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 2 4 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 . 2 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 36 A G 0 0 137 0, 0.0 2,-0.2 0, 0.0 369,-0.1 0.000 360.0 360.0 360.0 176.1 76.5 11.9 64.6 2 37 A G - 0 0 26 1,-0.1 367,-0.3 369,-0.1 368,-0.2 -0.642 360.0 -84.7-115.5 176.3 77.0 10.9 60.9 3 38 A F B -a 369 0A 40 365,-2.1 367,-3.2 -2,-0.2 2,-0.4 -0.455 36.9-130.7 -79.5 151.2 76.8 12.6 57.5 4 39 A R E -b 339 0B 26 334,-2.6 336,-2.4 365,-0.2 2,-0.6 -0.834 8.4-157.4-105.4 140.1 73.5 13.1 55.6 5 40 A S E -b 340 0B 0 -2,-0.4 25,-3.1 334,-0.2 26,-2.0 -0.925 23.0-178.1-118.8 98.0 73.1 12.2 52.0 6 41 A V E +bc 341 31B 0 334,-3.2 336,-1.8 -2,-0.6 2,-0.3 -0.863 7.0 177.1-107.3 134.4 70.2 14.3 50.7 7 42 A V E -bc 342 32B 0 24,-2.3 26,-2.7 -2,-0.4 2,-0.5 -0.984 24.5-130.2-137.5 143.9 68.7 14.2 47.2 8 43 A Y E - c 0 33B 1 334,-1.9 337,-2.1 -2,-0.3 2,-0.7 -0.783 14.1-160.4 -93.1 127.7 65.8 15.9 45.4 9 44 A F E - c 0 34B 0 24,-3.1 26,-2.5 -2,-0.5 2,-0.5 -0.950 13.9-148.8-107.9 115.8 63.3 13.8 43.5 10 45 A V E > - c 0 35B 0 -2,-0.7 3,-1.5 24,-0.2 4,-0.2 -0.723 5.8-146.6 -87.4 125.3 61.4 16.0 41.0 11 46 A N G > S+ 0 0 5 24,-2.5 3,-1.1 -2,-0.5 4,-0.1 0.831 96.5 58.7 -62.6 -30.4 57.9 14.9 40.3 12 47 A W G > S+ 0 0 102 1,-0.2 3,-1.2 23,-0.2 5,-0.4 0.559 85.0 84.3 -76.4 -5.3 57.9 16.1 36.7 13 48 A A G < S+ 0 0 0 -3,-1.5 6,-2.9 1,-0.2 -1,-0.2 0.647 72.4 72.4 -70.4 -18.3 60.9 13.8 36.0 14 49 A I G < S+ 0 0 18 -3,-1.1 -1,-0.2 4,-0.2 -2,-0.1 0.681 97.9 55.3 -70.5 -16.7 58.7 10.8 35.3 15 50 A Y S X S- 0 0 107 -3,-1.2 3,-2.6 -4,-0.1 -2,-0.1 0.620 123.2 -3.0 -82.9-118.7 57.6 12.4 32.0 16 51 A G T 3 S+ 0 0 64 1,-0.3 -3,-0.1 -4,-0.2 -2,-0.1 0.786 134.7 52.6 -43.8 -40.8 60.2 13.4 29.4 17 52 A R T 3 S- 0 0 53 -5,-0.4 -1,-0.3 2,-0.1 -3,-0.1 0.629 95.5-142.7 -73.6 -17.7 63.1 12.5 31.5 18 53 A G < + 0 0 44 -3,-2.6 2,-0.6 1,-0.2 -4,-0.2 0.826 47.0 148.5 57.4 35.6 61.8 9.0 32.1 19 54 A H - 0 0 19 -6,-2.9 -1,-0.2 -9,-0.1 -2,-0.1 -0.894 22.0-179.0-108.0 111.5 63.1 9.0 35.7 20 55 A N > - 0 0 40 -2,-0.6 3,-2.2 -3,-0.1 4,-0.3 -0.732 40.4-110.6-107.6 157.3 61.0 7.0 38.2 21 56 A P G > S+ 0 0 0 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.849 114.9 65.6 -52.4 -36.2 61.5 6.5 42.0 22 57 A Q G 3 S+ 0 0 77 1,-0.3 4,-0.1 3,-0.1 -3,-0.0 0.553 91.1 65.6 -65.4 -10.4 62.4 2.9 41.5 23 58 A D G < S+ 0 0 67 -3,-2.2 -1,-0.3 2,-0.1 2,-0.1 0.577 79.8 106.3 -86.7 -11.7 65.5 4.1 39.6 24 59 A L S < S- 0 0 16 -3,-2.1 2,-1.6 -4,-0.3 3,-0.2 -0.421 74.4-131.5 -71.5 136.9 67.0 5.6 42.8 25 60 A K > - 0 0 92 1,-0.2 3,-2.1 -2,-0.1 4,-0.2 -0.682 27.8-172.2 -88.2 82.3 69.9 3.8 44.4 26 61 A A G > S+ 0 0 14 -2,-1.6 3,-2.1 1,-0.3 -1,-0.2 0.823 73.0 66.8 -42.8 -44.1 68.2 4.0 47.9 27 62 A D G 3 S+ 0 0 114 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.0 0.676 96.0 56.5 -58.3 -20.1 71.3 2.7 49.7 28 63 A Q G < S+ 0 0 31 -3,-2.1 2,-0.3 2,-0.0 -1,-0.3 0.444 101.6 65.2 -93.7 1.9 73.3 5.8 48.9 29 64 A F < - 0 0 8 -3,-2.1 -23,-0.2 -4,-0.2 3,-0.1 -0.860 45.6-174.2-123.8 159.0 70.9 8.3 50.5 30 65 A T S S+ 0 0 0 -25,-3.1 58,-2.2 1,-0.3 2,-0.3 0.492 82.4 31.7-118.8 -19.6 69.6 9.1 53.9 31 66 A H E -cd 6 88B 0 -26,-2.0 -24,-2.3 56,-0.2 2,-0.5 -0.989 58.2-168.5-146.0 133.8 67.0 11.7 52.8 32 67 A I E -cd 7 89B 0 56,-2.3 58,-2.6 -2,-0.3 2,-0.6 -0.986 12.2-153.6-123.7 121.1 64.8 12.2 49.7 33 68 A L E -cd 8 90B 0 -26,-2.7 -24,-3.1 -2,-0.5 2,-0.8 -0.858 9.9-147.5 -96.6 117.2 63.0 15.5 49.2 34 69 A Y E -cd 9 91B 4 56,-3.0 58,-2.6 -2,-0.6 2,-0.3 -0.802 32.4-119.2 -87.6 110.1 59.9 15.0 47.0 35 70 A A E +cd 10 92B 0 -26,-2.5 -24,-2.5 -2,-0.8 -23,-0.2 -0.801 57.7 0.6-106.8 141.9 59.4 18.2 45.0 36 71 A F E + 0 0 17 56,-0.7 12,-0.6 -2,-0.3 2,-0.3 0.659 39.1 173.2-139.2 146.1 57.3 20.3 44.9 37 72 A A E -Ed 47 93B 2 55,-2.3 57,-2.5 -3,-0.2 10,-0.2 -0.697 33.1-130.9 -94.4 154.4 53.9 20.9 46.6 38 73 A N E -E 46 0B 20 8,-2.6 8,-2.4 -2,-0.3 2,-0.4 -0.596 9.8-129.1-103.5 167.5 52.1 24.2 45.9 39 74 A I E -E 45 0B 2 6,-0.2 6,-0.2 -2,-0.2 5,-0.1 -0.956 9.0-143.8-123.4 134.1 50.5 26.8 48.2 40 75 A R > - 0 0 113 4,-2.8 3,-2.4 -2,-0.4 75,-0.0 -0.660 34.1-108.7 -88.4 149.2 47.0 28.3 48.0 41 76 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 70,-0.1 0.708 119.0 61.2 -51.9 -21.6 46.7 31.9 49.1 42 77 A S T 3 S- 0 0 60 2,-0.1 72,-0.2 72,-0.1 73,-0.2 0.765 124.5-101.2 -76.2 -26.8 44.8 30.8 52.2 43 78 A G S < S+ 0 0 0 -3,-2.4 2,-0.1 1,-0.3 75,-0.1 0.051 75.3 143.7 125.9 -17.9 47.9 28.8 53.4 44 79 A E - 0 0 67 -5,-0.1 -4,-2.8 74,-0.1 -1,-0.3 -0.306 40.4-146.8 -58.7 120.8 46.6 25.5 52.3 45 80 A V E +E 39 0B 0 69,-0.3 2,-0.3 70,-0.2 -6,-0.2 -0.707 24.1 174.5 -89.8 139.8 49.4 23.2 50.9 46 81 A Y E -E 38 0B 60 -8,-2.4 -8,-2.6 -2,-0.3 2,-0.1 -0.993 37.1 -93.1-147.9 153.6 48.5 20.8 48.1 47 82 A L E -E 37 0B 28 -2,-0.3 3,-0.3 -10,-0.2 -10,-0.2 -0.430 29.2-148.1 -64.6 136.7 50.1 18.3 45.7 48 83 A S S S+ 0 0 37 -12,-0.6 2,-0.4 1,-0.2 -1,-0.1 0.795 84.5 31.9 -79.6 -29.8 51.0 19.8 42.4 49 84 A D > - 0 0 39 1,-0.1 4,-3.1 2,-0.0 5,-0.3 -0.746 59.7-174.5-134.1 91.4 50.5 16.8 40.1 50 85 A T H >>S+ 0 0 91 -2,-0.4 5,-2.4 -3,-0.3 4,-1.8 0.827 87.3 53.0 -52.1 -37.3 47.8 14.4 41.1 51 86 A W H 4>S+ 0 0 125 3,-0.2 5,-3.1 4,-0.2 -1,-0.2 0.962 117.0 34.6 -64.4 -53.5 48.7 12.0 38.3 52 87 A A H 45S+ 0 0 0 3,-0.2 21,-2.8 2,-0.1 22,-0.2 0.901 124.2 43.1 -67.9 -43.9 52.4 11.8 39.2 53 88 A D H <5S- 0 0 2 -4,-3.1 21,-2.4 19,-0.2 22,-0.4 0.962 136.3 -7.6 -70.9 -51.7 52.0 12.0 43.0 54 89 A T T <5S+ 0 0 15 -4,-1.8 17,-2.1 -5,-0.3 -3,-0.2 0.678 123.2 51.7-124.8 -22.9 49.1 9.8 43.7 55 90 A D T - 0 0 15 -2,-0.6 3,-2.3 1,-0.1 14,-0.0 -0.679 45.9 -67.6-100.8 159.3 53.2 1.4 38.3 59 94 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.203 127.6 34.0 -48.0 128.2 53.8 -2.4 37.8 60 95 A G T 3 S+ 0 0 62 1,-0.3 2,-0.7 -3,-0.1 -3,-0.0 0.295 86.9 120.2 105.5 -11.0 52.7 -4.1 41.0 61 96 A D < - 0 0 11 -3,-2.3 -1,-0.3 2,-0.0 10,-0.1 -0.818 54.6-144.5 -90.6 116.4 49.8 -1.7 41.6 62 97 A K - 0 0 96 -2,-0.7 3,-0.1 1,-0.1 -4,-0.1 -0.259 9.9-147.8 -76.9 164.5 46.4 -3.5 41.7 63 98 A W S S+ 0 0 206 1,-0.1 -1,-0.1 -6,-0.0 -2,-0.0 0.611 90.3 47.1-104.3 -22.0 43.1 -2.1 40.4 64 99 A D S S+ 0 0 133 2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.115 71.6 143.0-113.0 23.8 40.7 -3.8 42.8 65 100 A E - 0 0 33 1,-0.1 4,-0.1 -3,-0.1 2,-0.1 -0.375 54.8-103.1 -66.5 142.2 42.2 -3.2 46.3 66 101 A P S S- 0 0 108 0, 0.0 319,-0.1 0, 0.0 -1,-0.1 -0.320 75.8 -4.0 -67.3 141.6 39.7 -2.6 49.2 67 102 A G S S- 0 0 60 317,-0.1 2,-0.5 -2,-0.1 316,-0.1 -0.297 108.5 -24.5 79.5-162.3 39.2 0.9 50.6 68 103 A N S S- 0 0 76 314,-0.2 316,-2.3 -2,-0.1 317,-0.7 -0.781 70.9-178.6 -89.5 128.5 40.9 4.2 49.8 69 104 A N - 0 0 26 -2,-0.5 2,-0.4 314,-0.2 -2,-0.1 -0.926 21.5-142.7-134.7 153.9 44.4 3.8 48.3 70 105 A V + 0 0 1 -2,-0.3 -15,-0.1 2,-0.0 2,-0.1 -0.928 24.5 158.0-114.7 143.6 47.4 5.8 47.1 71 106 A Y > + 0 0 19 -17,-2.1 4,-1.4 -2,-0.4 3,-0.5 -0.160 33.1 80.2-129.8-139.1 49.6 5.0 44.2 72 107 A G H > S- 0 0 0 -16,-2.8 4,-1.4 1,-0.2 -19,-0.2 -0.155 109.6 -35.7 63.3-160.8 51.9 7.1 42.1 73 108 A C H > S+ 0 0 0 -21,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.802 133.3 69.0 -67.7 -27.3 55.3 8.2 43.2 74 109 A I H > S+ 0 0 1 -21,-2.4 4,-1.9 -3,-0.5 -1,-0.2 0.946 101.7 44.5 -56.4 -51.6 54.0 8.5 46.8 75 110 A K H X S+ 0 0 5 -4,-1.4 4,-2.3 -22,-0.4 -1,-0.2 0.919 111.8 53.4 -60.8 -42.0 53.6 4.7 47.1 76 111 A Q H X S+ 0 0 14 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.869 106.3 53.3 -61.2 -34.5 57.0 4.2 45.5 77 112 A M H X S+ 0 0 4 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.913 109.5 48.0 -66.4 -40.9 58.6 6.5 48.1 78 113 A Y H X S+ 0 0 8 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.892 107.1 56.8 -66.2 -38.9 57.0 4.4 50.9 79 114 A L H X S+ 0 0 56 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.872 106.3 49.5 -61.2 -37.3 58.3 1.2 49.2 80 115 A L H X S+ 0 0 27 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.918 108.2 53.7 -68.4 -39.7 61.9 2.5 49.4 81 116 A K H < S+ 0 0 0 -4,-1.8 6,-0.3 1,-0.2 -1,-0.2 0.837 105.4 54.7 -62.0 -35.4 61.4 3.4 53.0 82 117 A K H < S+ 0 0 83 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.890 113.0 41.6 -64.9 -40.9 60.3 -0.2 53.7 83 118 A N H < S+ 0 0 144 -4,-1.5 2,-0.5 1,-0.3 -2,-0.2 0.731 122.2 39.1 -78.4 -29.8 63.5 -1.6 52.1 84 119 A N >< - 0 0 36 -4,-2.3 3,-2.5 -5,-0.1 -1,-0.3 -0.833 62.7-173.8-126.1 96.8 65.8 1.0 53.7 85 120 A R T 3 S+ 0 0 87 -2,-0.5 289,-2.6 1,-0.3 -1,-0.1 0.580 87.7 59.2 -62.6 -12.6 64.9 1.8 57.2 86 121 A N T 3 S+ 0 0 21 287,-0.2 2,-0.6 -57,-0.1 -1,-0.3 0.354 85.4 99.9 -96.2 3.3 67.6 4.4 57.2 87 122 A L < - 0 0 0 -3,-2.5 2,-0.3 -6,-0.3 -56,-0.2 -0.833 54.5-169.9 -96.2 118.7 65.9 6.2 54.3 88 123 A K E -d 31 0B 0 -58,-2.2 -56,-2.3 -2,-0.6 2,-0.4 -0.787 6.2-153.5-104.9 148.7 63.8 9.2 55.2 89 124 A T E -d 32 0B 2 -2,-0.3 40,-2.5 -58,-0.2 41,-0.5 -0.929 7.2-166.9-121.3 146.3 61.4 11.2 52.9 90 125 A L E -df 33 130B 0 -58,-2.6 -56,-3.0 -2,-0.4 2,-0.7 -0.980 23.4-125.7-132.2 145.6 60.3 14.8 53.1 91 126 A L E -df 34 131B 1 39,-2.1 41,-3.1 -2,-0.4 2,-0.6 -0.820 28.6-148.9 -89.9 117.8 57.6 16.7 51.4 92 127 A S E -df 35 132B 0 -58,-2.6 -55,-2.3 -2,-0.7 -56,-0.7 -0.832 12.5-164.5 -95.3 119.0 59.2 19.7 49.7 93 128 A I E +df 37 133B 0 39,-3.1 41,-3.1 -2,-0.6 2,-0.6 -0.850 53.6 2.6-107.3 133.1 56.9 22.8 49.4 94 129 A G E > + f 0 134B 0 -57,-2.5 4,-0.6 -2,-0.4 41,-0.2 -0.886 61.0 177.6 106.9-116.9 57.6 25.8 47.2 95 130 A G H > - 0 0 0 39,-2.4 4,-1.7 -2,-0.6 41,-0.3 -0.163 57.1 -58.3 92.6 169.6 60.6 25.8 44.9 96 131 A W H 4 S+ 0 0 153 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.902 135.6 44.3 -52.2 -50.4 61.5 28.5 42.4 97 132 A T H 4 S+ 0 0 120 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.895 120.7 38.9 -65.4 -41.9 58.3 28.4 40.4 98 133 A Y H >< S+ 0 0 60 -4,-0.6 3,-2.0 1,-0.2 -1,-0.2 0.525 87.1 99.4 -88.4 -5.0 56.0 28.3 43.4 99 134 A S G >< + 0 0 2 -4,-1.7 3,-1.8 -3,-0.4 4,-0.4 0.796 68.7 66.9 -52.6 -35.7 57.9 30.7 45.6 100 135 A P G 3 S+ 0 0 89 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.674 90.3 70.2 -62.4 -13.1 55.7 33.8 44.9 101 136 A N G < S+ 0 0 57 -3,-2.0 -2,-0.2 1,-0.2 -58,-0.1 0.322 83.9 70.5 -84.4 5.4 52.9 32.0 46.8 102 137 A F S <> S+ 0 0 1 -3,-1.8 4,-2.6 2,-0.1 5,-0.3 0.932 80.6 67.2 -86.4 -49.4 54.5 32.3 50.2 103 138 A K H > S+ 0 0 102 -4,-0.4 4,-1.6 1,-0.2 -2,-0.1 0.809 100.0 47.7 -39.8 -55.4 54.2 36.0 51.1 104 139 A T H >4 S+ 0 0 68 -4,-0.4 3,-0.9 1,-0.2 4,-0.4 0.977 117.6 36.5 -59.7 -64.3 50.5 36.2 51.4 105 140 A P H >4 S+ 0 0 6 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.839 117.2 54.9 -62.1 -26.0 49.7 33.2 53.6 106 141 A A H 3< S+ 0 0 2 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.781 92.7 73.3 -75.6 -21.9 52.9 33.8 55.6 107 142 A S T << S+ 0 0 37 -4,-1.6 2,-0.3 -3,-0.9 -1,-0.2 0.634 99.8 42.9 -67.6 -14.4 52.0 37.4 56.4 108 143 A T S <> S- 0 0 57 -3,-0.8 4,-2.2 -4,-0.4 5,-0.2 -0.958 77.4-121.4-136.9 156.4 49.3 36.3 58.9 109 144 A E H > S+ 0 0 89 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.881 112.1 53.9 -57.2 -43.2 48.7 33.9 61.8 110 145 A E H > S+ 0 0 139 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.952 110.9 44.2 -59.4 -52.5 45.7 32.4 60.1 111 146 A G H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.842 114.8 49.6 -61.8 -36.5 47.6 31.6 56.9 112 147 A R H X S+ 0 0 18 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.907 111.9 46.3 -68.7 -47.1 50.6 30.3 58.8 113 148 A K H X S+ 0 0 69 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.849 113.6 50.8 -63.7 -33.9 48.5 28.0 61.0 114 149 A K H X S+ 0 0 75 -4,-2.1 4,-2.8 -5,-0.3 -69,-0.3 0.898 110.7 48.3 -68.1 -45.2 46.7 26.8 57.9 115 150 A F H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.964 113.7 47.4 -57.6 -53.1 50.0 26.1 56.2 116 151 A A H X S+ 0 0 1 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.889 114.7 46.7 -56.6 -43.2 51.2 24.2 59.2 117 152 A D H X S+ 0 0 100 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.941 114.4 43.7 -67.4 -49.2 48.0 22.2 59.5 118 153 A T H X S+ 0 0 11 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.881 113.7 50.1 -65.7 -40.5 47.6 21.2 55.8 119 154 A S H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.921 111.9 48.9 -63.9 -42.6 51.3 20.3 55.4 120 155 A L H X S+ 0 0 27 -4,-1.7 4,-3.0 -5,-0.3 5,-0.3 0.925 109.0 53.5 -62.2 -45.7 51.2 18.2 58.5 121 156 A K H X S+ 0 0 70 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.910 111.1 45.4 -55.4 -45.8 48.0 16.5 57.2 122 157 A L H X S+ 0 0 19 -4,-2.2 4,-3.0 2,-0.2 6,-0.2 0.886 112.3 52.7 -65.7 -39.5 49.7 15.6 53.9 123 158 A M H X>S+ 0 0 0 -4,-2.4 5,-1.9 1,-0.2 4,-0.8 0.941 113.2 42.5 -61.9 -48.1 52.8 14.4 55.8 124 159 A K H <5S+ 0 0 39 -4,-3.0 -1,-0.2 3,-0.2 -2,-0.2 0.822 120.3 42.9 -70.3 -32.4 50.7 12.1 58.1 125 160 A D H <5S+ 0 0 17 -4,-2.1 258,-0.3 -5,-0.3 -2,-0.2 0.920 117.0 43.1 -79.7 -44.2 48.5 10.8 55.2 126 161 A L H <5S- 0 0 5 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.456 111.3-112.2 -82.5 -5.0 51.2 10.3 52.5 127 162 A G T <5 + 0 0 2 -4,-0.8 2,-0.2 1,-0.2 -3,-0.2 0.832 57.5 157.7 78.9 36.3 53.8 8.7 54.8 128 163 A F < - 0 0 3 -5,-1.9 -1,-0.2 -6,-0.2 -38,-0.2 -0.590 44.3-140.6 -93.0 156.2 56.5 11.3 55.0 129 164 A D S S- 0 0 3 -40,-2.5 43,-2.4 -2,-0.2 2,-0.3 0.441 77.1 -41.4 -89.5 -4.8 59.1 11.6 57.7 130 165 A G E -fg 90 172B 0 -41,-0.5 -39,-2.1 41,-0.3 2,-0.3 -0.986 64.1 -84.3 168.9-168.6 58.9 15.4 57.6 131 166 A I E -fg 91 173B 0 41,-2.4 43,-2.2 -2,-0.3 2,-0.4 -0.948 19.2-155.8-133.3 151.3 58.6 18.6 55.5 132 167 A D E -fg 92 174B 0 -41,-3.1 -39,-3.1 -2,-0.3 2,-0.6 -0.994 10.1-152.4-127.2 129.3 61.0 20.9 53.6 133 168 A I E -fg 93 175B 0 41,-2.7 43,-1.1 -2,-0.4 2,-0.7 -0.891 8.0-171.9-110.2 118.3 60.2 24.5 52.8 134 169 A D E +f 94 0B 2 -41,-3.1 -39,-2.4 -2,-0.6 2,-0.7 -0.839 10.6 171.4-110.6 95.3 61.8 26.1 49.8 135 170 A W - 0 0 10 -2,-0.7 2,-0.6 41,-0.4 -39,-0.1 -0.910 23.3-146.7-106.9 111.1 61.1 29.9 49.7 136 171 A E S S- 0 0 31 -2,-0.7 -37,-0.1 -41,-0.3 3,-0.1 -0.899 70.8 -20.5-120.3 96.3 63.1 31.6 47.0 137 172 A Y - 0 0 51 -2,-0.6 -1,-0.3 1,-0.1 2,-0.2 0.724 48.0-139.3-146.6 154.9 63.5 34.1 48.4 138 173 A P - 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0 0 4 -3,-1.3 -256,-0.1 1,-0.1 6,-0.1 -0.417 60.6-140.5 -67.9 141.8 46.4 8.0 57.2 382 417 A V S S+ 0 0 75 -2,-0.1 2,-0.6 4,-0.0 -314,-0.2 0.596 82.9 86.9 -75.0 -11.1 43.2 8.2 55.1 383 418 A Y > - 0 0 46 -258,-0.3 4,-2.2 1,-0.2 -314,-0.2 -0.830 64.1-158.6 -97.8 125.6 44.7 5.5 52.9 384 419 A D H > S+ 0 0 54 -316,-2.3 4,-1.7 -2,-0.6 6,-0.2 0.919 92.6 50.9 -65.1 -46.6 44.2 1.9 53.8 385 420 A N H 4>S+ 0 0 8 -317,-0.7 5,-3.3 1,-0.2 -1,-0.2 0.932 112.6 48.7 -59.7 -40.6 47.1 0.4 51.8 386 421 A L H >45S+ 0 0 0 1,-0.2 3,-1.9 3,-0.2 -2,-0.2 0.932 111.4 46.2 -65.0 -51.0 49.5 3.0 53.4 387 422 A K H 3<5S+ 0 0 94 -4,-2.2 -1,-0.2 1,-0.3 -9,-0.2 0.761 109.8 55.8 -66.7 -20.4 48.4 2.5 57.0 388 423 A N T 3<5S- 0 0 113 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.335 123.6-108.1 -91.0 8.4 48.6 -1.3 56.4 389 424 A G T < 5 - 0 0 18 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.741 55.0 -74.7 73.9 28.8 52.2 -0.8 55.3 390 425 A M S