==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JUL-11 3T26 . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.CAHN,M.VENKAT,H.MARSHALL,D.JUERS . 225 3 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9497.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 59.6 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 . 68 30.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.7 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 0 0 1 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 . 2 2 1 6 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 0 1 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,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 124.0 -8.1 8.8 19.2 2 17 A V B +A 171 0A 12 169,-2.9 169,-1.8 1,-0.2 123,-0.1 -0.889 360.0 6.1 -99.8 129.7 -10.3 9.5 16.3 3 18 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.732 101.9 121.0 77.5 21.8 -12.0 6.7 14.4 4 19 A G - 0 0 35 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.009 56.7-110.9 -99.9-157.2 -10.9 4.0 16.9 5 20 A Y E -B 137 0B 98 132,-2.4 132,-2.9 -3,-0.1 2,-0.3 -0.955 35.1 -88.7-137.8 158.4 -12.6 1.5 19.1 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.519 36.8-149.7 -66.7 121.2 -13.1 1.0 22.8 7 22 A a - 0 0 17 128,-2.2 -1,-0.2 -2,-0.3 129,-0.1 0.922 33.3-117.7 -61.9 -44.9 -10.0 -1.1 23.9 8 23 A G > - 0 0 26 127,-0.5 3,-1.8 4,-0.0 4,-0.3 -0.014 46.1 -55.7 105.6 141.2 -11.7 -3.0 26.8 9 24 A A T 3 S- 0 0 50 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.278 118.5 -10.4 -57.9 125.6 -10.6 -2.7 30.4 10 25 A N T 3 S+ 0 0 21 42,-0.3 -1,-0.3 2,-0.2 43,-0.1 0.679 90.6 125.3 59.3 29.5 -7.0 -3.5 31.0 11 26 A T S < S+ 0 0 78 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.527 76.6 48.4 -85.0 -9.2 -6.4 -4.9 27.5 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.6 87,-0.1 -1,-0.2 -0.730 74.4 174.7-128.8 77.3 -3.5 -2.4 27.1 13 28 A P T 3 S+ 0 0 29 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.630 71.4 55.2 -75.5 -12.5 -1.7 -3.1 30.4 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.3 88,-0.1 2,-0.3 0.479 81.3 112.1 -93.7 -7.7 1.4 -0.9 29.8 15 30 A Q E < -J 28 0C 8 -3,-1.6 36,-0.5 13,-0.2 37,-0.4 -0.488 47.0-173.2 -68.4 130.3 -0.7 2.3 29.1 16 31 A V E -JK 27 50C 1 11,-2.3 11,-1.1 -2,-0.3 2,-0.5 -0.906 19.1-139.9-120.6 156.9 -0.4 5.0 31.8 17 32 A S E -JK 26 49C 1 32,-2.2 32,-2.8 -2,-0.3 2,-0.5 -0.947 15.2-142.1-107.7 134.1 -2.3 8.3 32.3 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.4 -2,-0.5 7,-0.9 -0.851 25.2-167.8 -95.6 128.9 -0.2 11.3 33.4 19 34 A N E +JK 23 47C 22 28,-2.5 28,-2.6 -2,-0.5 4,-0.2 -0.966 32.1 165.9-125.3 129.0 -2.2 13.3 35.9 20 37 A S S S- 0 0 34 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.331 97.9 -46.8-127.5 51.6 -1.7 16.8 37.4 21 38 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.238 140.1 27.4 97.0 -8.3 -5.2 17.1 38.8 22 39 A Y S S- 0 0 133 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.922 103.0 -80.2-171.1 157.4 -6.6 15.9 35.5 23 40 A H E +J 19 0C 34 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.541 51.4 158.1 -66.8 134.6 -5.4 13.6 32.7 24 41 A F E + 0 0 12 -6,-2.4 2,-0.3 1,-0.4 151,-0.2 0.589 58.3 4.0-132.1 -17.0 -3.0 15.5 30.3 25 42 A b E -J 18 0C 0 -7,-0.9 -7,-3.1 200,-0.1 -1,-0.4 -0.980 61.8-123.2-162.9 158.9 -0.8 13.0 28.5 26 43 A G E +J 17 0C 1 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.446 27.3 175.6 -98.3-179.8 -0.3 9.3 28.1 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.3 -2,-0.2 2,-0.4 -0.953 24.7-113.5-168.8 176.4 2.8 7.2 28.6 28 45 A S E -JL 15 36C 0 8,-2.5 8,-2.6 -2,-0.3 2,-0.6 -0.993 18.9-129.6-129.7 136.3 4.2 3.6 28.6 29 46 A L E + L 0 35C 1 -15,-2.3 74,-2.3 -2,-0.4 6,-0.2 -0.714 28.0 172.8 -82.8 119.5 5.4 1.5 31.5 30 47 A I E - 0 0 20 4,-2.1 2,-0.3 -2,-0.6 75,-0.2 0.611 68.0 -8.6-107.1 -17.6 8.8 0.1 30.5 31 48 A N E > S- L 0 34C 52 3,-1.3 3,-0.7 70,-0.1 -1,-0.3 -0.927 89.3 -77.5-158.4-174.1 9.7 -1.5 33.8 32 49 A S T 3 S+ 0 0 44 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.681 128.0 26.2 -65.5 -13.4 8.4 -1.5 37.4 33 50 A Q T 3 S+ 0 0 58 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.435 110.5 71.3-128.8 3.2 9.9 2.0 38.1 34 51 A W E < -LM 31 89C 8 -3,-0.7 -4,-2.1 55,-0.2 -3,-1.3 -0.976 47.8-171.2-133.2 140.3 10.1 3.8 34.8 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.7 -2,-0.4 2,-0.4 -0.940 12.5-148.4-123.0 141.8 7.7 5.4 32.3 36 53 A V E +LM 28 87C 0 -8,-2.6 -8,-2.5 -2,-0.3 2,-0.2 -0.933 30.4 149.7-112.7 134.8 8.4 6.8 28.9 37 54 A S E - M 0 86C 0 49,-2.8 49,-2.3 -2,-0.4 2,-0.4 -0.748 49.9 -69.1-140.5-170.2 6.4 9.7 27.5 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.759 33.1-133.2 -89.7 139.0 6.8 12.7 25.1 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.800 107.1 65.0 -58.4 -31.7 9.1 15.6 26.2 40 57 A H G 3 S+ 0 0 47 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.662 92.9 63.9 -70.6 -10.8 6.3 18.0 25.2 41 58 A b G < S+ 0 0 1 -3,-1.6 -1,-0.3 -15,-0.1 -2,-0.2 0.379 76.9 137.8 -81.7 0.0 4.3 16.5 28.0 42 59 A Y < + 0 0 134 -3,-2.0 2,-0.3 -4,-0.0 -3,-0.0 -0.274 17.8 145.1 -60.4 136.3 6.8 17.8 30.6 43 60 A K - 0 0 54 0, 0.0 3,-0.3 0, 0.0 2,-0.2 -0.956 45.7-116.8-152.9 158.0 5.3 19.3 33.8 44 61 A S S S+ 0 0 97 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.685 94.8 41.6 -93.2 159.7 6.3 19.3 37.4 45 62 A G S S+ 0 0 70 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.898 76.7 170.4 74.7 42.0 4.0 17.6 39.9 46 63 A I - 0 0 9 -3,-0.3 21,-2.3 -26,-0.1 2,-0.5 -0.699 20.0-166.0 -87.3 131.1 3.1 14.5 37.8 47 64 A Q E -KN 19 66C 49 -28,-2.6 -28,-2.5 -2,-0.4 2,-0.4 -0.982 16.5-141.7-108.1 132.2 1.3 11.5 39.3 48 65 A V E -KN 18 65C 0 17,-2.9 17,-2.5 -2,-0.5 2,-0.6 -0.759 11.8-157.5 -92.7 129.9 1.4 8.4 37.2 49 66 A R E -KN 17 64C 53 -32,-2.8 -32,-2.2 -2,-0.4 3,-0.3 -0.947 13.0-175.2-114.5 117.1 -1.8 6.4 37.1 50 67 A L E +KN 16 63C 2 13,-3.2 13,-1.8 -2,-0.6 -34,-0.1 -0.712 60.6 29.7-104.6 156.7 -1.5 2.7 36.2 51 69 A G S S+ 0 0 6 -36,-0.5 10,-0.3 -38,-0.3 2,-0.2 0.696 84.2 156.3 74.9 18.1 -4.2 0.1 35.6 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.514 22.0 150.6 -84.1 142.7 -6.7 2.7 34.3 53 71 A D S S+ 0 0 17 1,-0.4 2,-0.7 4,-0.3 -1,-0.2 0.323 80.8 30.5-119.4 -77.0 -9.7 2.2 32.1 54 72 A N S > S- 0 0 29 80,-0.2 3,-1.1 1,-0.2 -1,-0.4 -0.724 72.9-159.9 -82.3 115.1 -12.3 4.8 33.0 55 73 A I T 3 S+ 0 0 32 78,-2.4 -1,-0.2 -2,-0.7 79,-0.1 0.520 87.7 51.9 -76.8 -1.3 -10.1 7.7 34.2 56 74 A N T 3 S+ 0 0 120 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.384 104.8 58.1-112.3 2.8 -13.1 9.2 36.1 57 75 A V S < S- 0 0 75 -3,-1.1 2,-0.8 76,-0.2 -4,-0.3 -0.997 78.0-127.8-135.0 134.0 -14.1 6.2 38.1 58 76 A V + 0 0 116 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.759 34.1 172.2 -82.1 114.6 -12.1 4.1 40.6 59 77 A E - 0 0 97 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.577 50.0-100.9-105.4 -14.8 -12.7 0.6 39.2 60 78 A G S S+ 0 0 60 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.260 102.9 76.2 118.9 -10.7 -10.3 -1.4 41.4 61 79 A N + 0 0 67 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.344 66.8 119.7-111.2 7.3 -7.1 -2.1 39.4 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.403 40.9-167.4 -77.7 149.4 -5.5 1.3 39.6 63 81 A Q E -N 50 0C 42 -13,-1.8 -13,-3.2 -2,-0.1 2,-0.6 -0.992 8.1-161.8-128.7 124.1 -2.1 2.2 41.1 64 82 A F E +N 49 0C 81 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.949 17.9 169.4-107.9 119.6 -1.4 5.9 41.7 65 83 A I E -N 48 0C 15 -17,-2.5 -17,-2.9 -2,-0.6 2,-0.1 -0.991 28.3-128.4-136.3 127.3 2.3 6.7 42.1 66 84 A S E -N 47 0C 51 -2,-0.4 25,-2.9 -19,-0.2 26,-0.3 -0.374 27.7-111.6 -69.5 149.7 4.0 10.1 42.2 67 85 A A E -O 90 0C 19 -21,-2.3 23,-0.3 23,-0.2 3,-0.1 -0.621 23.9-171.5 -75.3 136.9 7.0 10.8 39.9 68 86 A S E S+ 0 0 66 21,-2.7 2,-0.3 1,-0.4 22,-0.2 0.679 73.0 8.7 -97.0 -24.2 10.4 11.3 41.8 69 87 A K E -O 89 0C 90 20,-1.2 20,-3.3 2,-0.0 2,-0.4 -0.973 58.1-160.0-158.3 138.8 12.3 12.4 38.8 70 88 A S E -O 88 0C 41 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.968 7.0-167.6-121.5 140.9 11.7 13.5 35.2 71 89 A I E -O 87 0C 35 16,-2.9 16,-2.5 -2,-0.4 2,-0.2 -0.924 5.9-158.9-131.7 106.9 14.4 13.5 32.5 72 90 A V E -O 86 0C 47 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.582 43.2 -87.8 -78.3 143.9 13.7 15.2 29.2 73 91 A H > - 0 0 24 12,-2.2 3,-1.8 10,-0.3 -1,-0.1 -0.250 36.4-124.3 -52.5 138.8 15.9 14.1 26.3 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.775 109.0 42.4 -60.9 -22.8 19.1 16.2 26.3 75 93 A S T 3 S+ 0 0 74 8,-0.1 -2,-0.1 2,-0.1 2,-0.1 0.187 78.3 142.6-111.0 17.0 18.5 17.3 22.6 76 94 A Y < - 0 0 57 -3,-1.8 2,-0.5 9,-0.1 7,-0.2 -0.362 32.7-163.4 -57.3 129.0 14.8 17.9 22.8 77 95 A N > - 0 0 69 5,-2.0 4,-2.1 1,-0.1 5,-0.5 -0.966 7.9-161.5-117.9 112.1 13.9 20.9 20.6 78 96 A S T 4 S+ 0 0 76 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.661 87.0 55.8 -71.0 -15.9 10.4 22.3 21.5 79 97 A N T 4 S+ 0 0 152 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.879 122.9 22.8 -80.1 -39.7 10.1 24.2 18.2 80 98 A T T 4 S- 0 0 73 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.570 96.5-131.6 -99.3 -13.9 10.7 21.3 15.8 81 99 A L >< + 0 0 33 -4,-2.1 3,-0.9 1,-0.2 -3,-0.2 0.619 49.3 159.4 64.8 14.8 9.7 18.5 18.3 82 100 A N T 3 + 0 0 37 -5,-0.5 -5,-2.0 1,-0.2 -1,-0.2 -0.487 66.6 15.8 -65.2 136.2 12.9 16.6 17.4 83 101 A N T 3 S+ 0 0 17 -7,-0.2 2,-1.8 1,-0.2 -10,-0.3 0.893 79.5 178.2 64.3 43.8 13.8 14.1 20.1 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.538 35.9 112.6 -81.1 80.8 10.3 14.3 21.7 85 103 A I + 0 0 0 -2,-1.8 -12,-2.2 -47,-0.3 2,-0.3 -0.994 37.0 176.1-153.8 140.2 10.9 11.8 24.4 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.8 -2,-0.3 2,-0.4 -0.992 19.3-139.2-146.6 150.2 11.2 11.9 28.2 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-2.9 -2,-0.3 2,-0.5 -0.894 12.4-163.1-108.8 141.2 11.6 9.4 31.1 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.5 -2,-0.4 2,-0.4 -0.989 7.9-150.1-124.6 125.3 9.8 9.5 34.4 89 107 A K E -MO 34 69C 43 -20,-3.3 -21,-2.7 -2,-0.5 -20,-1.2 -0.829 17.5-131.6 -95.3 136.8 11.0 7.6 37.4 90 108 A L E - O 0 67C 0 -57,-3.0 -23,-0.2 -2,-0.4 -24,-0.1 -0.574 12.1-128.1 -84.9 146.0 8.3 6.5 39.9 91 109 A K S S+ 0 0 139 -25,-2.9 2,-0.3 -2,-0.2 -24,-0.1 0.826 96.2 15.2 -62.1 -32.9 8.7 7.1 43.7 92 110 A S S S- 0 0 65 -26,-0.3 2,-0.2 -60,-0.1 -1,-0.1 -0.963 95.2 -91.7-137.0 157.3 8.0 3.4 44.3 93 111 A A - 0 0 50 -2,-0.3 -60,-0.2 1,-0.1 -61,-0.1 -0.453 40.9-121.5 -68.8 135.7 7.9 0.3 42.1 94 112 A A - 0 0 7 -62,-3.1 2,-0.6 -2,-0.2 -1,-0.1 -0.351 25.0-113.1 -65.0 154.5 4.6 -0.6 40.5 95 113 A S - 0 0 85 -2,-0.1 2,-0.3 6,-0.0 -1,-0.1 -0.873 36.7-147.4 -93.5 117.6 3.2 -4.0 41.3 96 114 A L + 0 0 78 -2,-0.6 5,-0.2 3,-0.1 2,-0.2 -0.719 36.8 126.1 -99.0 140.9 3.2 -6.0 38.0 97 115 A N S S- 0 0 92 3,-2.9 -1,-0.0 -2,-0.3 0, 0.0 -0.636 75.2 -57.8-159.1-153.9 0.6 -8.7 36.8 98 116 A S S S+ 0 0 98 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.792 133.5 43.5 -78.9 -25.5 -1.7 -9.3 33.7 99 117 A R S S+ 0 0 108 1,-0.3 2,-0.4 -87,-0.1 -48,-0.2 0.649 121.4 37.6 -94.4 -24.0 -3.5 -6.0 34.0 100 118 A V S S+ 0 0 2 -50,-0.1 -3,-2.9 -49,-0.1 2,-0.3 -0.984 82.2 146.2-124.9 121.5 -0.5 -3.8 34.8 101 119 A A - 0 0 25 -88,-1.3 -72,-0.3 -2,-0.4 2,-0.2 -0.973 44.6-110.6-152.4 153.9 2.6 -4.9 32.8 102 120 A S - 0 0 55 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.3 -0.523 26.2-132.0 -87.6 159.6 5.6 -3.4 31.1 103 121 A I - 0 0 14 -74,-2.3 2,-0.1 -2,-0.2 83,-0.1 -0.916 26.8-112.1-110.8 139.7 6.1 -3.2 27.4 104 122 A S B -c 186 0B 63 81,-0.6 83,-2.8 -2,-0.4 -73,-0.1 -0.422 22.4-121.8 -70.7 141.3 9.4 -4.3 25.8 105 123 A L - 0 0 37 81,-0.2 83,-0.1 -75,-0.2 2,-0.1 -0.513 38.5-103.9 -71.3 149.4 11.9 -2.0 24.1 106 124 A P - 0 0 5 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.420 17.1-158.6 -75.0 152.7 12.6 -2.8 20.5 107 125 A T S S+ 0 0 138 1,-0.2 2,-0.3 -2,-0.1 -2,-0.0 0.612 83.5 20.3 -99.0 -19.3 15.9 -4.4 19.3 108 127 A S S S- 0 0 81 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.962 88.9 -96.5-141.3 163.6 15.3 -3.1 15.8 109 128 A c - 0 0 57 -2,-0.3 2,-0.2 -3,-0.1 79,-0.0 -0.490 41.2-117.9 -76.1 146.4 13.3 -0.4 14.0 110 129 A A - 0 0 30 -2,-0.2 2,-0.2 78,-0.1 -1,-0.1 -0.568 28.2-123.9 -84.7 149.0 10.0 -1.4 12.4 111 130 A S > - 0 0 85 -2,-0.2 3,-2.2 1,-0.1 31,-0.3 -0.630 31.4 -85.4 -92.5 154.4 9.5 -1.1 8.7 112 132 A A T 3 S+ 0 0 56 1,-0.2 31,-0.2 -2,-0.2 -1,-0.1 -0.213 116.9 38.2 -43.6 135.0 6.8 0.8 6.6 113 133 A G T 3 S+ 0 0 62 29,-2.9 -1,-0.2 1,-0.4 2,-0.2 0.154 81.3 130.8 100.9 -17.7 3.8 -1.5 6.4 114 134 A T < - 0 0 37 -3,-2.2 28,-2.2 27,-0.1 -1,-0.4 -0.510 57.0-128.8 -69.1 134.7 4.0 -2.9 9.9 115 135 A Q E -D 141 0B 118 26,-0.2 69,-0.5 -2,-0.2 2,-0.3 -0.686 32.1-176.1 -86.4 138.6 0.6 -2.8 11.7 116 136 A d E -D 140 0B 5 24,-2.3 24,-2.4 -2,-0.3 2,-0.5 -0.910 25.4-124.1-135.4 160.0 0.7 -1.2 15.1 117 137 A L E -DE 139 182B 39 65,-3.1 65,-2.3 -2,-0.3 2,-0.4 -0.924 24.2-174.0-109.0 125.2 -1.6 -0.5 18.1 118 138 A I E +DE 138 181B 0 20,-3.1 20,-2.2 -2,-0.5 2,-0.3 -0.914 11.1 177.2-117.2 142.8 -2.0 3.1 19.2 119 139 A S E +D 137 0B 0 61,-1.1 2,-0.3 -2,-0.4 18,-0.2 -0.966 11.1 117.5-146.1 156.5 -4.0 3.9 22.4 120 140 A G E -D 136 0B 1 16,-2.2 16,-2.0 -2,-0.3 56,-0.2 -0.907 58.7 -97.6 163.8 175.1 -5.1 6.8 24.6 121 141 A W S S+ 0 0 3 54,-0.5 55,-0.2 -2,-0.3 3,-0.1 0.000 72.9 126.4-105.4 23.9 -7.7 9.0 26.2 122 142 A G - 0 0 0 1,-0.2 53,-0.3 9,-0.1 52,-0.1 -0.099 69.3 -52.0 -79.8 178.7 -7.4 12.0 23.8 123 143 A N - 0 0 6 51,-2.5 8,-0.2 8,-0.1 -1,-0.2 -0.139 39.1-159.5 -52.7 139.8 -10.0 13.8 21.7 124 144 A T + 0 0 23 6,-2.2 -121,-0.5 -3,-0.1 2,-0.4 0.341 65.5 77.3-107.8 5.7 -12.2 11.6 19.5 125 145 A K - 0 0 111 3,-0.2 5,-0.1 5,-0.2 3,-0.1 -0.920 59.4-154.4-119.7 145.4 -13.3 14.2 17.0 126 146 A S S S+ 0 0 55 -2,-0.4 2,-0.4 1,-0.2 71,-0.4 0.723 96.6 32.9 -84.9 -27.2 -11.5 15.8 14.0 127 147 A S S S- 0 0 106 69,-0.1 -1,-0.2 0, 0.0 2,-0.1 -0.999 124.6 -0.2-123.1 134.4 -13.6 18.9 14.3 128 148 A G S S- 0 0 56 -2,-0.4 2,-0.4 -3,-0.1 -3,-0.2 -0.407 90.4 -72.2 82.5-165.6 -14.8 20.0 17.7 129 149 A T + 0 0 106 -2,-0.1 2,-0.2 -5,-0.1 -3,-0.1 -0.995 45.3 153.3-143.5 127.3 -14.1 18.3 21.1 130 150 A S - 0 0 58 -2,-0.4 -6,-2.2 -5,-0.1 -5,-0.2 -0.769 20.5-163.2-156.4 110.1 -15.2 15.2 22.8 131 151 A Y - 0 0 119 -2,-0.2 2,-0.2 -8,-0.2 -8,-0.1 -0.818 15.2-139.0 -98.3 129.9 -12.9 13.5 25.4 132 152 A P - 0 0 19 0, 0.0 4,-0.1 0, 0.0 -77,-0.1 -0.502 6.8-147.2 -84.1 157.1 -13.7 9.9 26.3 133 153 A D S S+ 0 0 76 -2,-0.2 -78,-2.4 -79,-0.1 2,-0.2 0.724 82.3 60.9 -89.6 -25.1 -13.6 8.5 29.8 134 154 A V S S- 0 0 39 -80,-0.2 -80,-0.2 -79,-0.1 2,-0.1 -0.672 98.7 -88.5-107.3 158.9 -12.5 5.0 28.7 135 155 A L - 0 0 5 -2,-0.2 -128,-2.2 -82,-0.1 -127,-0.5 -0.402 40.4-153.7 -73.4 134.7 -9.3 4.0 26.8 136 156 A K E -BD 6 120B 47 -16,-2.0 -16,-2.2 -130,-0.2 2,-0.3 -0.808 6.5-157.0-110.5 149.6 -9.6 4.1 23.0 137 157 A a E -BD 5 119B 2 -132,-2.9 -132,-2.4 -2,-0.3 2,-0.3 -0.899 8.3-172.3-126.8 152.0 -7.5 2.0 20.5 138 158 A L E - D 0 118B 6 -20,-2.2 -20,-3.1 -2,-0.3 2,-0.5 -0.978 15.5-147.2-147.8 130.8 -6.5 2.2 16.9 139 159 A K E + D 0 117B 69 -2,-0.3 -22,-0.2 -22,-0.2 -24,-0.0 -0.880 34.0 162.5 -93.4 126.7 -4.8 -0.2 14.6 140 160 A A E - D 0 116B 0 -24,-2.4 -24,-2.3 -2,-0.5 2,-0.2 -0.999 32.6-123.7-146.3 144.2 -2.6 1.7 12.1 141 161 A P E - D 0 115B 35 0, 0.0 23,-2.3 0, 0.0 2,-0.3 -0.589 29.3-110.9 -84.0 151.7 0.3 0.9 9.7 142 162 A I B -F 163 0B 10 -28,-2.2 -29,-2.9 -31,-0.3 21,-0.3 -0.630 38.0-135.9 -72.2 133.5 3.6 2.7 9.6 143 163 A L - 0 0 25 19,-2.6 19,-0.4 -2,-0.3 -31,-0.1 -0.589 23.6 -92.8 -90.7 156.5 3.9 4.8 6.5 144 164 A S > - 0 0 43 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.315 31.6-118.3 -62.0 149.6 6.9 5.0 4.2 145 165 A D H > S+ 0 0 85 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.861 115.8 56.3 -56.0 -36.3 9.4 7.7 4.9 146 166 A S H > S+ 0 0 85 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.911 108.9 45.2 -64.1 -45.1 8.7 9.1 1.4 147 167 A S H > S+ 0 0 35 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.884 113.8 50.4 -58.2 -43.7 5.0 9.4 2.2 148 168 A e H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.930 112.4 44.7 -67.8 -47.2 5.7 10.9 5.5 149 169 A K H < S+ 0 0 110 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.810 111.5 54.1 -66.3 -32.5 8.2 13.6 4.1 150 170 A S H < S+ 0 0 99 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.828 108.9 48.7 -69.5 -32.4 5.8 14.4 1.3 151 171 A A H < S+ 0 0 13 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.849 126.5 26.3 -73.7 -33.8 3.0 15.0 3.8 152 172 A Y S >X S- 0 0 2 -4,-1.6 3,-1.9 -5,-0.1 4,-0.6 -0.613 84.4-157.7-131.7 70.6 5.2 17.3 5.9 153 173 A P T 34 S+ 0 0 94 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.210 77.2 2.5 -55.2 133.9 7.9 18.9 3.7 154 174 A G T 34 S+ 0 0 91 2,-0.1 -5,-0.1 -5,-0.1 -4,-0.1 0.507 116.2 83.3 72.5 8.7 11.0 20.0 5.7 155 175 A Q T <4 + 0 0 94 -3,-1.9 2,-0.6 -6,-0.2 -1,-0.1 0.561 61.0 90.1-119.0 -15.2 9.6 18.8 9.1 156 176 A I < - 0 0 22 -4,-0.6 2,-0.2 -7,-0.1 -2,-0.1 -0.804 52.6-172.7 -96.2 118.3 10.4 15.1 9.4 157 177 A T > - 0 0 41 -2,-0.6 3,-1.5 1,-0.0 -2,-0.0 -0.512 44.0 -96.9 -95.3 175.2 13.7 14.1 11.0 158 178 A S T 3 S+ 0 0 87 1,-0.3 53,-0.1 -2,-0.2 -1,-0.0 0.606 121.9 65.0 -63.2 -13.0 15.4 10.7 11.3 159 179 A N T 3 S+ 0 0 27 48,-0.0 49,-2.8 51,-0.0 2,-0.3 0.229 97.5 66.4 -95.2 17.9 13.8 10.5 14.8 160 180 A M E < - G 0 207B 7 -3,-1.5 2,-0.3 47,-0.3 47,-0.2 -0.937 53.9-174.9-138.9 147.5 10.2 10.5 13.5 161 181 A F E - G 0 206B 8 45,-2.0 45,-3.1 -2,-0.3 2,-0.4 -0.978 21.9-126.4-138.0 161.6 7.9 8.3 11.6 162 182 A e E + G 0 205B 0 -19,-0.4 -19,-2.6 -2,-0.3 2,-0.3 -0.805 26.5 176.1-101.2 143.1 4.4 8.6 10.2 163 183 A A E +FG 142 204B 0 41,-1.8 41,-1.1 -2,-0.4 2,-0.4 -0.989 38.2 50.1-142.6 147.4 1.6 6.1 11.0 164 184AA G S S- 0 0 2 -23,-2.3 2,-0.4 -2,-0.3 7,-0.1 -0.979 86.1 -39.9 134.2-147.6 -2.0 6.2 10.0 165 184 A Y > - 0 0 49 5,-0.6 3,-1.7 -2,-0.4 37,-0.3 -0.990 25.6-153.7-135.3 120.5 -4.1 6.8 6.9 166 185 A L T 3 S+ 0 0 49 -2,-0.4 35,-3.4 1,-0.3 36,-0.2 0.807 99.0 63.6 -64.0 -26.3 -3.5 9.3 4.2 167 186 A E T 3 S- 0 0 142 33,-0.2 -1,-0.3 1,-0.2 33,-0.2 0.626 103.9-140.0 -70.3 -15.7 -7.2 9.2 3.5 168 187 A G < + 0 0 12 -3,-1.7 31,-0.2 31,-0.3 -1,-0.2 -0.307 67.5 104.9 86.2-172.9 -7.9 10.7 7.0 169 188AA G S S+ 0 0 44 29,-2.8 2,-0.4 28,-0.1 30,-0.1 0.147 78.6 66.0 87.5 -20.2 -10.7 9.7 9.4 170 188 A K + 0 0 97 -5,-0.2 -5,-0.6 29,-0.1 2,-0.3 -0.964 64.7 112.8-140.9 121.0 -8.4 7.7 11.8 171 189 A D B -A 2 0A 6 -169,-1.8 -169,-2.9 -2,-0.4 2,-0.1 -0.984 60.6 -91.5-169.7 165.2 -5.6 9.1 13.9 172 190 A S - 0 0 8 -2,-0.3 26,-0.3 -171,-0.2 2,-0.3 -0.432 48.1-172.9 -80.8 174.1 -4.3 9.9 17.3 173 191 A f > - 0 0 10 -2,-0.1 3,-2.6 24,-0.1 4,-0.4 -0.893 34.1 -38.8-156.3 179.0 -5.1 13.4 18.7 174 192 A Q T 3 S+ 0 0 92 1,-0.3 -51,-2.5 -2,-0.3 -149,-0.1 -0.261 124.8 29.5 -50.0 131.9 -4.6 16.0 21.5 175 193 A G T 3 S+ 0 0 6 -53,-0.3 -54,-0.5 -151,-0.2 -1,-0.3 0.194 102.6 80.8 95.8 -17.5 -4.5 14.2 24.8 176 194 A D X + 0 0 0 -3,-2.6 3,-2.1 -56,-0.2 15,-0.3 0.586 65.3 124.7 -88.6 -11.7 -3.1 11.0 23.3 177 195 A S T 3 + 0 0 7 -4,-0.4 -151,-3.3 1,-0.3 15,-0.2 -0.092 69.9 23.6 -49.6 142.6 0.4 12.6 23.3 178 196 A G T 3 S+ 0 0 0 13,-2.7 -1,-0.3 1,-0.3 -150,-0.1 0.157 97.3 124.3 89.2 -21.2 3.1 10.6 25.1 179 197 A G < - 0 0 0 -3,-2.1 12,-2.3 1,-0.1 -1,-0.3 -0.121 61.9 -81.6 -76.9 173.6 1.2 7.3 24.6 180 198 A P E - H 0 190B 0 0, 0.0 -61,-1.1 0, 0.0 2,-0.5 -0.379 20.6-166.4 -84.6 147.3 2.4 4.1 23.0 181 199 A V E -EH 118 189B 0 8,-1.7 7,-2.5 -63,-0.2 8,-1.9 -0.968 24.9-171.8-122.3 111.2 2.7 2.8 19.5 182 200 A V E +EH 117 187B 13 -65,-2.3 -65,-3.1 -2,-0.5 2,-0.4 -0.906 10.2 178.7-113.3 131.6 3.2 -0.9 19.8 183 201 A d E > S- H 0 186B 3 3,-2.4 3,-1.6 -2,-0.4 -67,-0.2 -0.999 72.3 -9.6-137.0 124.5 4.1 -3.2 16.9 184 202 A S T 3 S- 0 0 111 -69,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.851 129.6 -54.9 53.7 40.2 4.8 -6.9 17.2 185 203 A G T 3 S+ 0 0 46 1,-0.2 -81,-0.6 -79,-0.0 2,-0.3 0.624 117.0 104.5 75.2 13.4 4.8 -6.6 21.0 186 204 A K E < S-cH 104 183B 76 -3,-1.6 -3,-2.4 -83,-0.1 2,-0.8 -0.968 77.6-110.8-125.5 150.9 7.5 -3.9 21.2 187 209 A L E + H 0 182B 0 -83,-2.8 -5,-0.2 -2,-0.3 3,-0.1 -0.596 46.4 158.1 -78.1 111.0 7.3 -0.2 21.9 188 210 A Q E + 0 0 14 -7,-2.5 21,-1.5 -2,-0.8 22,-0.5 0.693 55.9 24.2-105.1 -21.1 8.1 1.5 18.5 189 211 A G E -IH 208 181B 0 -8,-1.9 -8,-1.7 19,-0.2 2,-0.4 -0.951 52.3-147.1-145.1 161.8 6.6 5.0 18.8 190 212 A I E -IH 207 180B 1 17,-0.8 17,-2.4 -2,-0.3 2,-0.3 -0.997 40.9-107.2-126.7 132.0 5.4 7.7 21.1 191 213 A V E +I 206 0B 5 -12,-2.3 -13,-2.7 -2,-0.4 15,-0.2 -0.437 56.5 153.5 -58.3 118.4 2.5 9.9 20.1 192 214 A S E - 0 0 4 13,-1.5 2,-0.3 1,-0.3 14,-0.2 0.800 44.5 -35.4-120.3 -62.5 4.1 13.2 19.3 193 215 A W E +I 205 0B 48 12,-2.0 12,-2.9 -19,-0.0 -1,-0.3 -0.945 40.4 168.6-159.0 177.1 2.4 15.6 16.8 194 216 A G - 0 0 26 -2,-0.3 2,-0.9 10,-0.2 10,-0.1 -0.903 48.3 -89.7 177.5 164.4 0.3 16.1 13.6 195 217 A S S S- 0 0 55 8,-0.3 4,-0.4 -2,-0.3 -2,-0.0 -0.836 94.0 -43.2 -92.3 105.2 -1.5 18.9 11.8 196 219 A G S S- 0 0 32 -2,-0.9 2,-0.4 2,-0.1 -69,-0.1 -0.370 93.1 -72.2 64.4-153.5 -5.0 18.7 13.4 197 220 A f S S- 0 0 5 -71,-0.4 -28,-0.1 -24,-0.1 -24,-0.1 -0.993 100.4 -3.8-141.6 133.4 -6.3 15.2 13.7 198 221AA A S S+ 0 0 9 -2,-0.4 -29,-2.8 -26,-0.3 2,-0.2 0.693 85.1 153.9 63.2 22.3 -7.5 12.7 11.2 199 221 A Q > - 0 0 84 3,-0.5 3,-1.7 -4,-0.4 -31,-0.3 -0.527 54.1 -91.8 -79.9 148.2 -7.1 15.2 8.3 200 222 A K T 3 S+ 0 0 152 1,-0.3 -33,-0.2 -33,-0.2 -34,-0.1 -0.341 109.4 4.6 -58.4 136.5 -6.6 14.0 4.7 201 223 A N T 3 S+ 0 0 87 -35,-3.4 -1,-0.3 -36,-0.1 -35,-0.1 0.619 110.1 97.6 61.0 17.5 -2.8 13.8 3.8 202 224 A K < + 0 0 62 -3,-1.7 -3,-0.5 -37,-0.3 -4,-0.3 -0.605 53.7 176.4-132.3 71.7 -1.8 14.7 7.4 203 225 A P - 0 0 3 0, 0.0 -8,-0.3 0, 0.0 -39,-0.2 -0.189 39.3 -81.9 -70.9 170.3 -1.0 11.5 9.2 204 226 A G E -G 163 0B 1 -41,-1.1 -41,-1.8 -10,-0.1 2,-0.4 -0.397 37.7-142.0 -70.1 147.2 0.2 11.3 12.8 205 227 A V E -GI 162 193B 1 -12,-2.9 -12,-2.0 -43,-0.2 -13,-1.5 -0.940 20.2-167.6-115.8 135.5 3.9 11.7 13.5 206 228 A Y E -GI 161 191B 1 -45,-3.1 -45,-2.0 -2,-0.4 2,-0.3 -0.931 28.0-106.9-127.5 143.5 5.6 9.6 16.2 207 229 A T E -GI 160 190B 3 -17,-2.4 2,-1.3 -2,-0.3 -17,-0.8 -0.551 37.1-125.1 -67.7 133.0 8.9 9.6 18.0 208 230 A K E > - I 0 189B 46 -49,-2.8 3,-1.8 -2,-0.3 4,-0.2 -0.634 26.8-171.7 -88.0 91.1 11.0 6.7 16.7 209 231 A V G > S+ 0 0 0 -21,-1.5 3,-2.6 -2,-1.3 4,-0.4 0.785 74.2 71.3 -56.7 -35.2 11.8 4.8 19.9 210 232 A c G > S+ 0 0 21 -22,-0.5 3,-0.6 1,-0.3 -1,-0.3 0.775 93.1 60.2 -58.0 -19.7 14.4 2.4 18.3 211 233 A N G < S+ 0 0 73 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.596 106.9 46.5 -79.1 -9.9 16.8 5.4 18.0 212 234 A Y G <> S+ 0 0 7 -3,-2.6 4,-2.7 -4,-0.2 5,-0.2 0.310 74.1 106.5-115.8 4.1 16.7 5.9 21.8 213 235 A V H <> S+ 0 0 25 -3,-0.6 4,-2.9 -4,-0.4 5,-0.2 0.902 83.0 47.7 -60.0 -41.0 17.2 2.5 23.2 214 236 A S H > S+ 0 0 85 -4,-0.2 4,-2.6 1,-0.2 5,-0.2 0.925 113.0 48.3 -67.9 -40.5 20.8 3.1 24.3 215 237 A W H > S+ 0 0 42 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 113.5 48.0 -60.5 -44.0 20.0 6.4 26.0 216 238 A I H X S+ 0 0 2 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.954 114.1 45.9 -64.3 -50.7 17.0 4.9 27.8 217 239 A K H X S+ 0 0 131 -4,-2.9 4,-1.8 -5,-0.2 -2,-0.2 0.919 115.0 46.0 -59.0 -44.2 19.0 1.9 29.0 218 240 A Q H X S+ 0 0 137 -4,-2.6 4,-0.7 -5,-0.2 -1,-0.2 0.872 113.9 49.5 -65.0 -40.0 22.0 4.0 30.2 219 241 A T H >X S+ 0 0 16 -4,-2.2 3,-1.1 -5,-0.2 4,-0.5 0.942 111.1 48.1 -66.1 -48.7 19.7 6.5 31.9 220 242 A I H >< S+ 0 0 38 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.843 108.1 57.1 -54.3 -40.1 17.7 3.8 33.7 221 243 A A H 3< S+ 0 0 80 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.665 114.6 35.7 -71.8 -16.2 21.0 2.1 34.8 222 244 A S H << 0 0 100 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.284 360.0 360.0-122.2 6.2 22.3 5.2 36.6 223 245 A N << 0 0 77 -3,-0.7 -2,-0.1 -4,-0.5 -3,-0.1 0.346 360.0 360.0-132.6 360.0 19.3 6.9 38.1 224 ! 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 0.0 225 261 A X 0 0 77 0, 0.0 -200,-0.1 0, 0.0 -51,-0.1 0.000 360.0 360.0 360.0 360.0 -1.7 17.5 25.6 226 ! 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 0.0 227 262 A X 0 0 184 0, 0.0 -110,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 -5.1 -8.5 19.9