==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JAN-01 1HJ9 . COMPND 2 MOLECULE: BETA-TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR H.-K.S.LEIROS,S.M.MCSWEENEY,A.O.SMALAS . 223 10 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9181.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 58.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 28.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 16 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 5.8 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 2 3 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 16 A I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 121.1 35.4 21.0 19.0 2 17 A V + 0 0 11 175,-2.9 123,-0.1 1,-0.2 122,-0.1 -0.881 360.0 7.4-100.1 133.2 37.6 20.4 15.9 3 18 A G S S+ 0 0 49 121,-0.5 -1,-0.2 -2,-0.4 175,-0.1 0.704 103.2 115.2 75.8 18.6 39.2 23.3 14.2 4 19 A G - 0 0 37 -3,-0.3 2,-0.3 173,-0.1 134,-0.2 0.082 58.4-110.6-100.4-151.1 38.1 25.9 16.7 5 20 A Y E -A 137 0A 98 132,-2.4 132,-2.8 -3,-0.1 2,-0.5 -0.944 34.4 -86.6-145.0 159.0 39.8 28.2 19.2 6 21 A T E -A 136 0A 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.612 37.0-149.8 -70.4 121.9 40.3 28.6 23.0 7 22 A a - 0 0 18 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.887 34.8-113.1 -60.2 -45.3 37.3 30.6 24.0 8 23 A G > - 0 0 26 127,-0.5 3,-2.0 -3,-0.1 4,-0.3 0.075 48.7 -57.5 106.6 136.3 38.9 32.4 27.0 9 24 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.201 116.9 -11.2 -55.2 125.6 37.9 31.8 30.6 10 25 A N T 3 S+ 0 0 28 42,-0.4 -1,-0.3 2,-0.2 43,-0.1 0.557 91.2 125.3 64.7 17.0 34.3 32.4 31.3 11 26 A T S < S+ 0 0 87 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.536 77.4 47.7 -77.1 -9.4 33.6 34.2 28.0 12 27 A V S > S+ 0 0 6 -4,-0.3 3,-2.2 87,-0.1 -1,-0.3 -0.711 74.9 171.2-125.4 70.4 30.7 31.7 27.4 13 28 A P T 3 S+ 0 0 34 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.605 70.7 57.8 -76.5 -6.2 29.1 32.0 30.9 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.455 81.5 108.6 -90.4 -9.7 26.0 30.0 30.0 15 30 A Q E < -H 28 0B 5 -3,-2.2 36,-0.4 13,-0.2 37,-0.4 -0.610 49.4-174.1 -72.8 129.8 28.1 26.9 29.1 16 31 A V E -H 27 0B 0 11,-2.5 11,-1.2 -2,-0.4 2,-0.4 -0.843 19.6-138.8-117.3 157.3 27.8 24.1 31.6 17 32 A S E -HI 26 49B 1 32,-2.3 32,-2.8 -2,-0.3 2,-0.5 -0.958 15.2-142.7-108.2 132.8 29.6 20.7 31.9 18 33 A L E -HI 25 48B 0 7,-3.0 6,-2.5 -2,-0.4 7,-0.9 -0.869 23.4-167.3 -94.8 127.1 27.5 17.7 32.9 19 34 A N E +HI 23 47B 21 28,-2.7 28,-2.5 -2,-0.5 4,-0.2 -0.961 30.0 167.1-125.4 130.7 29.5 15.5 35.2 20 37 A S S S- 0 0 32 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.322 97.2 -47.4-128.8 45.6 28.8 11.9 36.4 21 38 A G S S+ 0 0 68 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.218 140.4 29.5 100.4 -9.6 32.3 11.3 37.8 22 39 A Y S S- 0 0 133 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.927 102.5 -81.9-168.4 154.8 33.7 12.7 34.6 23 40 A H E +H 19 0B 38 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.541 52.2 157.9 -66.0 133.0 32.6 15.3 32.0 24 41 A F E + 0 0 31 -6,-2.5 2,-0.3 1,-0.4 157,-0.2 0.530 56.5 1.9-132.0 -17.3 30.3 13.6 29.6 25 42 A b E -H 18 0B 8 -7,-0.9 -7,-3.0 157,-0.1 -1,-0.4 -0.980 60.9-120.5-162.6 160.4 28.2 16.4 27.9 26 43 A G E +H 17 0B 1 157,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.448 26.5 177.7 -94.5 179.7 27.6 20.1 27.7 27 44 A G E -H 16 0B 0 -11,-1.2 -11,-2.5 -2,-0.2 2,-0.4 -0.953 24.9-114.6-168.5 177.0 24.5 22.1 28.4 28 45 A S E -HJ 15 36B 0 8,-2.4 8,-2.7 -2,-0.3 2,-0.5 -0.992 19.7-131.2-130.0 128.1 23.2 25.7 28.5 29 46 A L E + J 0 35B 1 -15,-2.4 74,-2.4 -2,-0.4 6,-0.2 -0.670 26.7 174.3 -77.5 118.9 22.0 27.6 31.6 30 47 A I E - 0 0 17 4,-2.5 2,-0.3 -2,-0.5 75,-0.2 0.578 68.3 -13.3-105.1 -13.4 18.6 29.2 30.7 31 48 A N E > S- J 0 34B 46 3,-1.1 3,-0.7 70,-0.1 -1,-0.3 -0.925 90.3 -75.1-165.3-175.2 17.8 30.6 34.1 32 49 A S T 3 S+ 0 0 34 -2,-0.3 62,-3.0 1,-0.2 60,-0.1 0.665 128.2 32.2 -69.1 -14.5 19.1 30.2 37.7 33 50 A Q T 3 S+ 0 0 76 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.489 109.0 66.4-115.8 -6.6 17.5 26.8 38.1 34 51 A W E < -JK 31 89B 7 -3,-0.7 -4,-2.5 55,-0.2 -3,-1.1 -0.973 47.7-169.0-136.3 140.8 17.4 25.1 34.6 35 52 A V E -JK 29 88B 0 53,-2.5 53,-2.7 -2,-0.4 2,-0.5 -0.948 14.7-145.8-120.5 136.5 19.8 23.8 32.0 36 53 A V E +JK 28 87B 0 -8,-2.7 -8,-2.4 -2,-0.4 2,-0.2 -0.905 34.5 149.2 -97.2 130.3 19.0 22.8 28.4 37 54 A S E - K 0 86B 0 49,-2.7 49,-2.3 -2,-0.5 2,-0.4 -0.724 49.6 -71.9-140.7-169.9 20.9 19.8 27.0 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.748 31.4-133.5 -89.3 141.0 20.5 16.9 24.5 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.831 106.8 65.5 -59.3 -30.9 18.2 14.0 25.4 40 57 A H G 3 S+ 0 0 66 1,-0.3 -1,-0.3 41,-0.1 143,-0.0 0.645 93.6 62.6 -71.1 -8.5 20.8 11.6 24.3 41 58 A b G < S+ 0 0 5 -3,-1.8 -1,-0.3 -15,-0.1 -2,-0.2 0.399 78.0 130.8 -86.3 -1.8 22.9 13.0 27.2 42 59 A Y < + 0 0 127 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.283 20.6 135.3 -56.2 138.3 20.4 11.7 29.7 43 60 A K - 0 0 55 0, 0.0 3,-0.3 0, 0.0 2,-0.1 -0.939 51.7-100.5-164.8 165.8 21.6 9.7 32.7 44 61 A S S S+ 0 0 95 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.471 95.8 41.0 -80.4 160.8 20.9 9.5 36.4 45 62 A G S S+ 0 0 67 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.841 73.5 171.9 77.1 34.2 23.3 11.1 38.9 46 63 A I - 0 0 9 -3,-0.3 21,-2.6 -26,-0.1 2,-0.5 -0.611 19.0-165.8 -84.6 135.5 24.1 14.3 37.0 47 64 A Q E -IL 19 66B 51 -28,-2.5 -28,-2.7 -2,-0.4 2,-0.4 -0.978 16.6-141.9-109.7 128.1 26.1 17.1 38.7 48 65 A V E -IL 18 65B 0 17,-2.9 17,-2.8 -2,-0.5 2,-0.6 -0.767 11.1-157.8 -90.7 130.9 25.9 20.4 36.8 49 66 A R E -IL 17 64B 50 -32,-2.8 -32,-2.3 -2,-0.4 3,-0.3 -0.948 13.8-178.3-117.3 114.2 29.2 22.4 36.7 50 67 A L E + L 0 63B 2 13,-3.0 13,-2.1 -2,-0.6 -34,-0.1 -0.691 60.9 32.3-104.6 157.3 28.9 26.1 36.1 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.683 84.1 155.3 73.8 15.6 31.6 28.7 35.8 52 70 A E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.560 21.9 149.7 -82.7 144.3 34.1 26.3 34.3 53 71 A D S S+ 0 0 14 1,-0.4 2,-0.7 4,-0.3 -1,-0.1 0.395 81.9 31.3-120.3 -78.0 37.0 26.9 32.1 54 72 A N S > S- 0 0 21 80,-0.2 3,-1.0 1,-0.2 -1,-0.4 -0.677 73.1-162.1 -76.6 115.0 39.6 24.2 32.8 55 73 A I T 3 S+ 0 0 26 78,-2.6 -1,-0.2 -2,-0.7 79,-0.1 0.629 85.8 53.5 -78.1 -7.7 37.3 21.2 33.8 56 74 A N T 3 S+ 0 0 129 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.466 105.5 55.2-102.7 -3.9 40.2 19.4 35.5 57 75 A V S < S- 0 0 76 -3,-1.0 2,-0.7 76,-0.2 -4,-0.3 -0.997 78.8-127.3-131.8 132.5 41.3 22.2 37.8 58 76 A V + 0 0 114 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.718 33.2 174.2 -76.8 112.5 39.3 24.1 40.4 59 77 A E - 0 0 99 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.609 50.9 -99.9-104.6 -15.3 40.1 27.7 39.4 60 78 A G S S+ 0 0 58 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.327 103.5 77.1 118.6 -3.2 37.8 29.6 41.7 61 79 A N + 0 0 61 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.350 66.8 118.9-113.5 9.3 34.7 30.6 39.8 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.339 42.7-164.9 -79.3 153.6 32.9 27.3 39.7 63 81 A Q E -L 50 0B 38 -13,-2.1 -13,-3.0 -2,-0.1 2,-0.6 -0.982 7.3-163.5-128.7 122.7 29.5 26.3 41.1 64 82 A F E +L 49 0B 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.933 17.1 170.2-105.7 118.2 28.8 22.5 41.3 65 83 A I E -L 48 0B 14 -17,-2.8 -17,-2.9 -2,-0.6 2,-0.1 -0.989 28.4-128.6-136.2 124.7 25.1 21.8 41.8 66 84 A S E -L 47 0B 49 -2,-0.4 25,-2.8 -19,-0.3 2,-0.3 -0.391 27.5-113.0 -69.0 146.8 23.5 18.4 41.6 67 85 A A E -M 90 0B 19 -21,-2.6 23,-0.2 23,-0.2 3,-0.1 -0.585 20.8-166.9 -72.8 139.4 20.5 17.9 39.4 68 86 A S E S- 0 0 59 21,-2.7 2,-0.3 1,-0.4 22,-0.2 0.700 72.7 -2.2 -92.4 -27.2 17.1 17.2 41.2 69 87 A K E -M 89 0B 75 20,-1.0 20,-2.7 2,-0.0 2,-0.4 -0.966 56.4-152.3-160.9 150.4 15.3 16.1 38.0 70 88 A S E -M 88 0B 37 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.978 9.0-161.2-128.6 145.8 15.8 15.6 34.4 71 89 A I E -M 87 0B 38 16,-2.9 16,-2.5 -2,-0.4 2,-0.3 -0.954 5.5-158.1-131.4 106.4 13.0 15.8 31.8 72 90 A V E -M 86 0B 49 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.622 40.4 -89.9 -80.7 143.4 13.5 14.3 28.3 73 91 A H > - 0 0 23 12,-2.3 3,-1.9 10,-0.3 -1,-0.1 -0.246 34.8-124.5 -54.0 140.8 11.3 15.6 25.6 74 92 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.706 109.1 42.5 -64.8 -20.4 8.1 13.5 25.4 75 93 A S T 3 S+ 0 0 74 8,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.213 79.5 141.2-110.9 16.2 8.7 12.8 21.7 76 94 A Y < - 0 0 54 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.377 32.3-164.9 -59.0 129.2 12.5 12.1 21.8 77 95 A N > - 0 0 64 5,-2.2 4,-2.1 -2,-0.1 5,-0.5 -0.960 8.7-164.7-118.0 109.1 13.4 9.2 19.5 78 96 A S T 4 S+ 0 0 75 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.674 86.9 58.3 -69.5 -18.0 16.9 7.9 20.3 79 97 A N T 4 S+ 0 0 145 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.932 123.2 20.2 -74.5 -46.9 17.0 6.0 17.0 80 98 A T T 4 S- 0 0 71 -3,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.549 97.2-129.3 -95.5 -16.4 16.5 9.1 14.7 81 99 A L >< + 0 0 32 -4,-2.1 3,-0.9 1,-0.3 -3,-0.2 0.558 50.5 159.4 64.8 17.7 17.5 11.7 17.3 82 100 A N T 3 + 0 0 37 -5,-0.5 -5,-2.2 1,-0.2 -1,-0.3 -0.457 67.6 13.5 -66.0 134.8 14.3 13.6 16.5 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.898 79.6 179.2 64.1 46.5 13.5 15.9 19.4 84 102 A D < + 0 0 1 -3,-0.9 2,-0.3 75,-0.2 132,-0.2 -0.486 36.3 112.4 -81.1 76.7 17.0 15.6 21.0 85 103 A I + 0 0 0 -2,-2.0 -12,-2.3 -47,-0.3 2,-0.3 -0.997 36.6 175.5-150.0 142.4 16.4 18.0 23.9 86 104 A M E -KM 37 72B 0 -49,-2.3 -49,-2.7 -2,-0.3 2,-0.4 -0.985 21.4-135.8-145.8 155.0 16.1 17.6 27.7 87 105 A L E -KM 36 71B 0 -16,-2.5 -16,-2.9 -2,-0.3 2,-0.4 -0.916 14.5-161.8-110.2 139.5 15.7 19.9 30.6 88 106 A I E -KM 35 70B 0 -53,-2.7 -53,-2.5 -2,-0.4 2,-0.4 -0.990 7.8-149.8-123.1 123.1 17.8 19.5 33.8 89 107 A K E -KM 34 69B 36 -20,-2.7 -21,-2.7 -2,-0.4 -20,-1.0 -0.816 14.5-131.8 -95.2 134.9 16.6 21.2 37.1 90 108 A L E - M 0 67B 2 -57,-2.8 -23,-0.2 -2,-0.4 -24,-0.1 -0.615 11.4-131.9 -81.3 143.0 19.2 22.2 39.6 91 109 A K S S+ 0 0 141 -25,-2.8 2,-0.3 -2,-0.3 -24,-0.1 0.743 95.5 16.8 -64.3 -29.2 18.7 21.3 43.3 92 110 A S S S- 0 0 68 -26,-0.3 -1,-0.1 -60,-0.1 2,-0.1 -0.977 98.0 -92.6-140.9 149.5 19.5 24.9 44.3 93 111 A A - 0 0 54 -2,-0.3 -60,-0.2 1,-0.1 -61,-0.1 -0.368 39.9-118.2 -65.2 139.2 19.5 28.0 42.2 94 112 A A - 0 0 7 -62,-3.0 2,-0.8 -63,-0.1 -1,-0.1 -0.408 24.8-116.1 -68.2 150.5 22.8 29.1 40.7 95 113 A S - 0 0 74 -2,-0.1 2,-0.3 6,-0.0 -1,-0.1 -0.852 32.6-140.0 -88.0 109.4 24.3 32.4 41.8 96 114 A L + 0 0 83 -2,-0.8 2,-0.2 3,-0.1 5,-0.2 -0.591 40.8 139.5 -78.7 132.4 24.3 34.5 38.7 97 115 A N B > -N 100 0C 71 3,-2.4 3,-0.6 -2,-0.3 -1,-0.0 -0.799 69.6 -66.7-152.3-168.0 27.4 36.7 38.2 98 116 A S T 3 S+ 0 0 93 -2,-0.2 3,-0.1 1,-0.2 -2,-0.1 0.699 134.1 40.3 -69.4 -16.1 29.7 37.8 35.4 99 117 A R T 3 S+ 0 0 104 1,-0.2 2,-0.4 -38,-0.1 -48,-0.3 0.503 117.3 47.7-107.5 -8.8 31.0 34.2 35.0 100 118 A V B < S+N 97 0C 0 -3,-0.6 -3,-2.4 -50,-0.1 2,-0.3 -0.958 75.5 148.4-136.6 107.8 27.7 32.3 35.4 101 119 A A - 0 0 29 -88,-1.6 -72,-0.3 -2,-0.4 2,-0.2 -0.983 41.8-113.5-146.2 150.5 24.9 33.7 33.3 102 120 A S - 0 0 59 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.3 -0.492 21.9-135.9 -85.8 157.7 21.8 32.6 31.5 103 121 A I - 0 0 14 -74,-2.4 89,-0.1 -2,-0.2 2,-0.1 -0.916 26.5-114.0-109.2 137.0 21.3 32.6 27.7 104 122 A S B -b 192 0A 71 87,-0.6 89,-2.7 -2,-0.4 -73,-0.1 -0.389 22.3-122.3 -69.7 146.5 18.0 33.7 26.3 105 123 A L - 0 0 32 87,-0.2 89,-0.1 -75,-0.2 2,-0.1 -0.504 40.6 -96.3 -79.0 152.0 15.7 31.5 24.4 106 124 A P - 0 0 6 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.401 21.8-163.9 -74.0 152.2 14.8 32.5 20.9 107 125 A T S S+ 0 0 136 1,-0.3 2,-0.3 -2,-0.1 -2,-0.0 0.627 84.1 19.4 -92.8 -34.8 11.8 34.4 19.7 108 127 A S S S- 0 0 83 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.940 91.5 -97.5-134.9 155.8 12.3 33.5 16.1 109 128 A c - 0 0 65 -2,-0.3 85,-0.1 -3,-0.1 -2,-0.0 -0.424 48.0-104.9 -70.2 150.4 14.2 30.7 14.4 110 129 A A - 0 0 34 -2,-0.1 2,-0.3 84,-0.1 -1,-0.1 -0.274 34.2-110.7 -76.2 163.9 17.6 31.7 13.1 111 130 A S > - 0 0 78 1,-0.1 3,-2.0 33,-0.0 31,-0.3 -0.770 28.4 -99.7 -99.5 143.2 18.4 32.2 9.4 112 132 A A T 3 S+ 0 0 69 -2,-0.3 31,-0.2 1,-0.3 3,-0.1 -0.294 111.0 29.4 -52.4 138.1 20.5 30.2 7.0 113 133 A G T 3 S+ 0 0 50 29,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.174 84.9 135.3 92.8 -17.3 23.9 31.8 6.7 114 134 A T < - 0 0 37 -3,-2.0 28,-2.2 27,-0.1 2,-0.5 -0.477 56.2-126.3 -67.6 135.0 24.0 33.3 10.2 115 135 A Q E -C 141 0A 111 26,-0.2 75,-0.5 -2,-0.2 2,-0.3 -0.688 33.6-172.6 -82.5 126.4 27.3 32.7 12.0 116 136 A d E -C 140 0A 2 24,-2.9 24,-2.4 -2,-0.5 2,-0.5 -0.792 24.0-119.5-119.0 163.5 26.8 31.0 15.4 117 137 A L E -CD 139 188A 36 71,-2.8 71,-2.5 -2,-0.3 2,-0.4 -0.926 27.3-175.5-108.3 118.9 29.0 30.2 18.3 118 138 A I E +CD 138 187A 0 20,-2.8 20,-2.2 -2,-0.5 2,-0.3 -0.914 11.3 177.8-114.2 138.7 29.3 26.5 19.2 119 139 A S E +C 137 0A 0 67,-1.1 2,-0.3 -2,-0.4 18,-0.2 -0.973 10.8 119.3-145.3 156.6 31.3 25.5 22.3 120 140 A G E -C 136 0A 1 16,-2.3 16,-2.0 -2,-0.3 62,-0.2 -0.952 58.3 -99.7 168.1 177.6 32.4 22.5 24.4 121 141 A W S S+ 0 0 2 60,-0.5 61,-0.2 -2,-0.3 3,-0.1 0.025 74.0 125.2-106.3 20.8 35.0 20.3 26.0 122 142 A G S S- 0 0 0 1,-0.2 59,-0.3 57,-0.1 58,-0.1 -0.063 70.3 -51.2 -79.1-179.1 34.7 17.5 23.3 123 143 A N - 0 0 11 57,-2.6 8,-0.2 8,-0.1 -1,-0.2 -0.179 38.3-158.5 -52.0 138.1 37.3 15.9 21.1 124 144 A T + 0 0 44 6,-2.6 -121,-0.5 -3,-0.1 2,-0.4 0.367 66.1 82.6-102.5 5.5 39.5 18.2 19.2 125 145 A K - 0 0 103 5,-0.3 3,-0.2 3,-0.2 5,-0.1 -0.907 55.9-160.6-111.9 136.4 40.6 15.7 16.5 126 146 A S S S+ 0 0 43 -2,-0.4 2,-0.5 1,-0.3 77,-0.4 0.845 97.0 35.6 -67.8 -38.7 38.7 14.6 13.3 127 147 A S S S- 0 0 102 75,-0.1 -1,-0.3 2,-0.0 2,-0.2 -0.970 126.9 -8.9-122.2 111.9 40.9 11.5 13.2 128 148 A G S S- 0 0 49 -2,-0.5 2,-0.4 -3,-0.2 -3,-0.2 -0.604 88.6 -65.7 93.6-165.4 41.8 10.1 16.6 129 149 A T + 0 0 96 -2,-0.2 2,-0.3 -5,-0.1 -3,-0.1 -0.964 44.4 149.5-141.3 127.2 41.2 11.4 20.0 130 150 A S - 0 0 49 -2,-0.4 -6,-2.6 -5,-0.1 -5,-0.3 -0.922 24.4-154.5-153.3 126.2 42.4 14.3 22.2 131 151 A Y - 0 0 123 -2,-0.3 -8,-0.1 -8,-0.2 -9,-0.1 -0.882 13.8-139.3-107.1 130.1 40.3 16.0 24.9 132 152 A P - 0 0 18 0, 0.0 -77,-0.1 0, 0.0 4,-0.1 -0.385 6.3-149.3 -81.9 162.1 41.0 19.6 26.0 133 153 A D S S+ 0 0 71 -2,-0.1 -78,-2.6 -79,-0.1 -77,-0.2 0.831 80.3 56.3 -95.8 -34.7 41.0 20.9 29.4 134 154 A V S S- 0 0 25 -80,-0.3 -80,-0.2 1,-0.1 2,-0.1 -0.572 100.6 -85.2 -97.8 160.9 39.8 24.4 28.7 135 155 A L - 0 0 5 -2,-0.2 -128,-2.0 -129,-0.1 -127,-0.5 -0.399 42.9-151.5 -70.7 134.0 36.6 25.4 26.8 136 156 A K E -AC 6 120A 47 -16,-2.0 -16,-2.3 -130,-0.2 2,-0.3 -0.792 7.8-159.3-107.7 153.0 36.8 25.4 23.0 137 157 A a E -AC 5 119A 2 -132,-2.8 -132,-2.4 -2,-0.3 2,-0.3 -0.904 7.4-169.9-132.0 152.7 34.8 27.6 20.6 138 158 A L E - C 0 118A 6 -20,-2.2 -20,-2.8 -2,-0.3 2,-0.5 -0.973 15.2-147.3-146.8 129.4 33.8 27.5 16.9 139 159 A K E + C 0 117A 116 -2,-0.3 -22,-0.2 -22,-0.2 -24,-0.1 -0.864 34.6 163.7 -91.3 126.6 32.2 30.1 14.7 140 160 A A E - C 0 116A 0 -24,-2.4 -24,-2.9 -2,-0.5 2,-0.2 -0.998 31.4-124.5-147.6 140.5 30.1 28.2 12.2 141 161 A P E - C 0 115A 20 0, 0.0 2,-0.3 0, 0.0 -26,-0.2 -0.581 27.9-109.7 -88.2 149.4 27.2 29.2 9.8 142 162 A I - 0 0 13 -28,-2.2 -29,-2.6 -31,-0.3 21,-0.3 -0.564 37.6-138.3 -68.1 133.0 23.9 27.7 9.6 143 163 A L - 0 0 25 19,-2.6 19,-0.4 -2,-0.3 -29,-0.1 -0.582 25.4 -90.9 -92.7 156.0 23.5 25.7 6.3 144 164 A S > - 0 0 52 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.303 32.3-120.2 -60.2 151.6 20.5 25.7 4.1 145 165 A D H > S+ 0 0 83 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.901 115.5 54.1 -60.3 -35.6 17.9 23.0 4.8 146 166 A S H > S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.934 109.1 47.7 -67.3 -40.8 18.5 21.6 1.2 147 167 A S H > S+ 0 0 28 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.891 113.1 49.0 -59.4 -42.6 22.2 21.4 1.8 148 168 A e H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.942 111.6 48.0 -65.0 -46.6 21.6 19.7 5.1 149 169 A K H < S+ 0 0 116 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.855 109.7 52.8 -64.1 -35.8 19.2 17.2 3.6 150 170 A S H < S+ 0 0 96 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.834 109.4 49.9 -66.8 -33.7 21.6 16.4 0.8 151 171 A A H < S+ 0 0 14 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.833 126.4 25.3 -71.4 -31.5 24.3 15.7 3.3 152 172 A Y S >X S- 0 0 3 -4,-1.6 3,-1.9 -5,-0.1 4,-0.6 -0.631 85.8-159.0-131.0 70.0 22.1 13.3 5.3 153 173 A P T 34 S+ 0 0 86 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.223 75.6 5.0 -57.3 136.8 19.4 11.9 3.0 154 174 A G T 34 S+ 0 0 92 2,-0.1 -5,-0.1 -5,-0.1 -4,-0.1 0.558 118.1 79.0 72.6 12.9 16.3 10.6 4.7 155 175 A Q T <4 + 0 0 92 -3,-1.9 2,-0.6 -6,-0.2 -1,-0.1 0.508 60.1 93.4-128.6 -15.3 17.5 11.8 8.2 156 176 A I < - 0 0 18 -4,-0.6 2,-0.2 -7,-0.1 -2,-0.1 -0.827 51.3-171.9 -94.8 119.6 16.9 15.5 8.7 157 177 A T > - 0 0 40 -2,-0.6 3,-1.7 1,-0.0 -2,-0.0 -0.510 43.0 -97.8 -96.1 173.6 13.6 16.4 10.3 158 178 A S T 3 S+ 0 0 84 1,-0.3 62,-0.1 -2,-0.2 -1,-0.0 0.591 122.0 64.5 -67.8 -7.4 12.1 19.9 10.8 159 179 A N T 3 S+ 0 0 25 57,-0.0 58,-2.5 60,-0.0 2,-0.3 0.193 98.1 65.5-101.3 17.3 13.5 19.7 14.3 160 180 A M E < -E 216 0A 3 -3,-1.7 2,-0.3 56,-0.3 56,-0.2 -0.954 54.4-176.4-135.8 150.8 17.1 19.7 13.1 161 181 A F E -E 215 0A 11 54,-2.0 54,-3.0 -2,-0.3 2,-0.4 -0.978 21.4-127.7-141.7 157.0 19.5 22.1 11.3 162 182 A e E E 214 0A 0 -19,-0.4 -19,-2.6 -2,-0.3 52,-0.2 -0.804 360.0 360.0 -99.3 148.1 23.0 21.7 10.0 163 183 A A 0 0 0 50,-1.9 50,-0.8 -2,-0.4 -21,-0.2 -0.990 360.0 360.0-146.2 360.0 25.8 24.2 10.8 164 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 165 184 A Y 0 0 56 0, 0.0 6,-1.7 0, 0.0 46,-0.2 0.000 360.0 360.0 360.0 360.0 31.6 23.6 6.8 166 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 167 184AA G 0 0 3 0, 0.0 3,-0.0 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 360.0 29.5 24.1 9.8 168 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 169 185 A L 0 0 57 0, 0.0 41,-2.9 0, 0.0 42,-0.2 0.000 360.0 360.0 360.0 -23.9 31.1 21.1 3.9 170 186 A E 0 0 163 1,-0.2 0, 0.0 39,-0.2 0, 0.0 0.618 360.0 360.0 -75.5 -9.1 34.8 21.1 3.2 171 187 A G 0 0 17 -6,-1.7 -1,-0.2 34,-0.3 39,-0.0 -0.274 360.0 360.0 88.6 360.0 35.5 19.6 6.6 172 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 173 188 A K 0 0 72 0, 0.0 5,-0.3 0, 0.0 -170,-0.2 0.000 360.0 360.0 360.0 360.0 35.7 22.5 11.6 174 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 175 188AA G 0 0 41 0, 0.0 -49,-0.1 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 360.0 38.0 20.5 9.3 176 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 177 189 A D 0 0 5 0, 0.0 -175,-2.9 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 170.1 32.9 20.9 13.7 178 190 A S - 0 0 10 -5,-0.3 2,-0.2 -177,-0.2 3,-0.0 -0.577 360.0-173.8 -85.7 162.1 31.6 19.8 17.0 179 191 A f > - 0 0 10 -2,-0.2 3,-2.6 24,-0.1 4,-0.4 -0.800 35.1 -38.3-149.0 179.6 32.6 16.3 18.2 180 192 A Q T 3 S+ 0 0 121 1,-0.3 -57,-2.6 -2,-0.2 -1,-0.1 -0.239 124.8 27.8 -50.3 130.9 32.2 13.6 20.8 181 193 A G T 3 S+ 0 0 13 -59,-0.3 -60,-0.5 -157,-0.2 -1,-0.3 0.188 101.5 83.5 94.6 -13.5 31.9 15.2 24.2 182 194 A D X + 0 0 0 -3,-2.6 3,-2.1 -62,-0.2 15,-0.3 0.576 62.8 127.1 -85.9 -16.9 30.4 18.5 22.9 183 195 A S T 3 + 0 0 10 -4,-0.4 -157,-3.0 1,-0.3 15,-0.2 -0.076 69.7 21.5 -45.1 138.9 26.9 16.9 22.8 184 196 A G T 3 S+ 0 0 0 13,-2.7 -1,-0.3 1,-0.3 -156,-0.2 0.214 97.3 123.6 87.1 -16.0 24.2 18.8 24.6 185 197 A G < - 0 0 0 -3,-2.1 12,-2.4 1,-0.1 -1,-0.3 -0.137 62.1 -78.2 -77.5 175.5 26.1 22.1 24.4 186 198 A P E - F 0 196A 0 0, 0.0 -67,-1.1 0, 0.0 2,-0.4 -0.395 20.5-167.4 -82.6 150.1 25.0 25.4 22.9 187 199 A V E -DF 118 195A 0 8,-2.0 7,-2.2 -69,-0.2 8,-2.1 -0.976 25.1-169.7-120.8 109.6 24.7 26.8 19.4 188 200 A V E +DF 117 193A 14 -71,-2.5 -71,-2.8 -2,-0.4 2,-0.4 -0.901 9.6 178.2-111.0 128.5 24.2 30.6 20.0 189 201 A d E > S- F 0 192A 3 3,-2.4 3,-1.5 -2,-0.5 -73,-0.2 -0.997 72.7 -9.2-132.0 128.0 23.2 32.9 17.2 190 202 A S T 3 S- 0 0 111 -75,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.876 130.1 -55.6 51.7 42.4 22.6 36.6 17.6 191 203 A G T 3 S+ 0 0 46 1,-0.2 -87,-0.6 -3,-0.1 2,-0.4 0.650 116.2 106.6 72.9 13.4 22.7 36.1 21.4 192 204 A K E < S-bF 104 189A 72 -3,-1.5 -3,-2.4 -89,-0.1 2,-1.0 -0.953 78.1-110.5-126.0 147.8 20.0 33.4 21.6 193 209 A L E + F 0 188A 0 -89,-2.7 -5,-0.2 -2,-0.4 3,-0.1 -0.616 49.4 156.3 -77.4 101.4 20.2 29.7 22.1 194 210 A Q E + 0 0 11 -7,-2.2 24,-1.7 -2,-1.0 25,-0.5 0.691 55.3 26.3-101.9 -23.9 19.2 28.3 18.7 195 211 A G E -GF 217 187A 0 -8,-2.1 -8,-2.0 22,-0.2 2,-0.4 -0.943 53.7-147.6-141.2 164.1 20.8 24.9 18.7 196 212 A I E -GF 216 186A 1 20,-0.8 20,-2.2 -2,-0.3 2,-0.3 -0.998 40.1-106.5-126.7 132.8 21.9 22.0 20.8 197 213 A V E +G 215 0A 5 -12,-2.4 -13,-2.7 -2,-0.4 18,-0.2 -0.433 58.9 152.7 -59.4 118.0 24.9 19.8 19.7 198 214 A S E - 0 0 5 16,-1.6 2,-0.3 1,-0.3 17,-0.2 0.798 43.7 -42.1-120.7 -65.8 23.1 16.6 18.6 199 215 A W E +G 214 0A 47 15,-2.0 15,-3.1 2,-0.0 -1,-0.3 -0.937 43.4 157.2-160.5 175.9 24.7 14.3 16.0 200 216 A G - 0 0 30 -2,-0.3 2,-0.7 13,-0.2 13,-0.1 -0.955 54.8 -75.9 179.2-164.9 26.6 13.9 12.7 201 217 A S S S- 0 0 61 -2,-0.3 10,-0.0 10,-0.2 -2,-0.0 -0.909 93.5 -47.4-113.3 100.3 28.8 11.3 11.0 202 219 A G 0 0 53 -2,-0.7 -75,-0.1 5,-0.1 -76,-0.1 -0.282 360.0 360.0 70.0-161.7 32.1 11.6 12.7 203 220 A f 0 0 11 -77,-0.4 -24,-0.1 -3,-0.1 -1,-0.1 -0.998 360.0 360.0-131.1 360.0 33.6 15.1 13.2 204 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 205 221 A Q 0 0 77 0, 0.0 6,-1.9 0, 0.0 -34,-0.3 0.000 360.0 360.0 360.0 360.0 34.4 15.1 7.8 206 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 207 221AA A 0 0 7 0, 0.0 -81,-0.1 0, 0.0 -5,-0.1 0.000 360.0 360.0 360.0 360.0 34.8 17.6 10.6 208 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 209 222 A K 0 0 126 0, 0.0 -39,-0.2 0, 0.0 -38,-0.0 0.000 360.0 360.0 360.0 138.2 33.8 16.4 4.3 210 223 A N + 0 0 75 -41,-2.9 -40,-0.1 -45,-0.1 0, 0.0 0.607 360.0 95.8 63.6 15.4 30.2 16.7 3.4 211 224 A K + 0 0 62 -6,-1.9 -10,-0.2 -46,-0.2 -1,-0.1 -0.617 53.9 177.4-135.2 72.5 29.0 15.7 6.9 212 225 A P - 0 0 3 0, 0.0 -11,-0.2 0, 0.0 2,-0.0 -0.273 40.5 -80.6 -69.5 167.4 28.4 18.9 8.9 213 226 A G - 0 0 1 -50,-0.8 -50,-1.9 -13,-0.1 2,-0.4 -0.333 38.2-141.2 -67.2 146.5 27.1 18.9 12.4 214 227 A V E -EG 162 199A 1 -15,-3.1 -15,-2.0 -52,-0.2 -16,-1.6 -0.925 20.9-168.5-112.5 135.9 23.4 18.4 13.0 215 228 A Y E -EG 161 197A 0 -54,-3.0 -54,-2.0 -2,-0.4 2,-0.2 -0.935 28.0-106.5-131.4 142.3 21.8 20.4 15.8 216 229 A T E -EG 160 196A 2 -20,-2.2 2,-1.4 -2,-0.4 -20,-0.8 -0.517 36.4-123.6 -66.9 134.8 18.5 20.4 17.6 217 230 A K E > - G 0 195A 39 -58,-2.5 3,-1.9 -2,-0.2 4,-0.2 -0.618 28.0-172.2 -87.5 90.0 16.3 23.3 16.5 218 231 A V G > S+ 0 0 0 -24,-1.7 3,-2.4 -2,-1.4 4,-0.4 0.779 74.3 71.3 -57.9 -32.7 15.6 25.0 19.8 219 232 A c G > S+ 0 0 21 -25,-0.5 3,-0.7 1,-0.3 -1,-0.3 0.781 92.8 59.1 -59.9 -22.0 13.1 27.5 18.4 220 233 A N G < S+ 0 0 69 -3,-1.9 -1,-0.3 1,-0.2 4,-0.2 0.586 106.5 48.9 -76.5 -11.6 10.6 24.7 17.9 221 234 A Y G <> S+ 0 0 6 -3,-2.4 4,-2.8 -4,-0.2 -1,-0.2 0.320 73.3 103.3-114.0 1.8 10.7 23.9 21.7 222 235 A V H <> S+ 0 0 17 -3,-0.7 4,-2.8 -4,-0.4 5,-0.2 0.894 84.4 49.6 -59.9 -41.9 10.2 27.2 23.4 223 236 A S H > S+ 0 0 84 -4,-0.2 4,-2.7 1,-0.2 5,-0.3 0.942 112.6 47.1 -61.6 -47.2 6.6 26.5 24.3 224 237 A W H > S+ 0 0 39 -4,-0.2 4,-2.4 2,-0.2 5,-0.2 0.927 113.4 49.2 -58.8 -45.5 7.5 23.1 25.7 225 238 A I H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.961 113.1 46.1 -59.6 -50.5 10.4 24.6 27.7 226 239 A K H X S+ 0 0 126 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.915 114.9 46.0 -60.1 -44.0 8.2 27.4 29.1 227 240 A Q H < S+ 0 0 131 -4,-2.7 4,-0.4 -5,-0.2 -1,-0.2 0.893 113.6 50.1 -67.0 -38.2 5.3 25.2 30.1 228 241 A T H >< S+ 0 0 15 -4,-2.4 3,-1.5 -5,-0.3 4,-0.4 0.940 110.9 46.6 -67.7 -45.0 7.6 22.6 31.6 229 242 A I H >< S+ 0 0 42 -4,-2.8 3,-0.5 1,-0.3 -1,-0.2 0.788 106.1 61.3 -72.8 -19.5 9.6 25.1 33.8 230 243 A A T 3< S+ 0 0 80 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.578 115.1 33.4 -74.7 -11.0 6.2 26.6 34.9 231 244 A S T < 0 0 100 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.222 360.0 360.0-129.2 9.7 5.2 23.3 36.4 232 245 A N < 0 0 73 -3,-0.5 -163,-0.0 -4,-0.4 0, 0.0 -0.901 360.0 360.0-142.7 360.0 8.4 21.7 37.7