==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 17-MAY-95 1BTW . COMPND 2 MOLECULE: BETA-TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.M.STROUD,B.A.KATZ,J.FINER-MOORE . 224 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9184.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 63.8 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 . 71 31.7 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 . 1 0.4 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 . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 . 3 1 2 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,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 131.3 52.6 -3.6 25.3 2 17 A V B +A 171 0A 8 169,-2.9 169,-2.1 1,-0.2 123,-0.1 -0.882 360.0 11.2-107.9 135.7 52.5 -7.3 24.5 3 18 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.688 102.5 121.8 74.0 21.3 54.6 -8.4 21.4 4 19 A G - 0 0 33 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.253 55.7-118.7-104.6-159.2 56.5 -5.1 21.2 5 20 A Y E -B 137 0B 97 132,-2.2 132,-2.7 -3,-0.1 2,-0.3 -0.888 36.2 -86.6-138.8 157.2 60.1 -4.0 21.3 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.548 37.4-146.8 -64.5 125.0 62.2 -1.7 23.6 7 22 A a - 0 0 19 128,-2.1 -1,-0.2 -2,-0.3 129,-0.1 0.908 35.1-111.9 -62.6 -40.2 61.8 1.8 22.2 8 23 A G > - 0 0 29 127,-0.4 3,-1.9 4,-0.0 4,-0.3 0.043 50.4 -58.9 106.2 134.8 65.2 3.1 23.0 9 24 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.220 117.4 -9.6 -60.9 129.9 65.6 5.9 25.7 10 25 A N T 3 S+ 0 0 36 42,-0.3 -1,-0.3 2,-0.2 43,-0.1 0.589 89.8 126.6 57.0 28.6 63.8 9.0 24.9 11 26 A T S < S+ 0 0 84 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.580 76.0 50.4 -83.0 -8.7 62.9 8.0 21.3 12 27 A V S > S+ 0 0 9 -4,-0.3 3,-1.3 87,-0.1 -1,-0.2 -0.768 72.9 173.8-124.9 76.0 59.2 8.8 22.2 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.583 70.6 57.5 -74.4 -8.8 59.6 12.3 23.7 14 29 A Y T 3 S+ 0 0 24 86,-0.2 15,-1.8 88,-0.1 89,-0.1 0.543 81.5 109.1 -95.5 -6.7 55.9 13.1 24.1 15 30 A Q E < -J 28 0C 7 -3,-1.3 36,-0.5 13,-0.2 37,-0.4 -0.431 47.0-174.9 -75.9 135.9 55.2 10.1 26.3 16 31 A V E -JK 27 50C 0 11,-1.7 11,-0.7 34,-0.1 2,-0.4 -0.855 20.2-140.1-123.8 162.6 54.5 10.7 30.0 17 32 A S E -JK 26 49C 0 32,-2.0 32,-2.9 -2,-0.3 2,-0.5 -0.988 15.1-144.9-115.8 130.7 54.0 8.4 32.9 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.1 -2,-0.4 7,-1.0 -0.894 28.5-170.3 -98.1 135.2 51.2 9.5 35.4 19 34 A N E +JK 23 47C 15 28,-2.7 28,-2.4 -2,-0.5 4,-0.2 -0.975 36.8 168.2-133.4 137.1 52.3 8.4 38.7 20 37 A S S S- 0 0 38 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.423 96.4 -45.7-133.9 55.4 50.9 8.2 42.3 21 38 A G S S+ 0 0 71 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.454 139.2 30.5 92.3 -0.7 53.6 6.2 44.0 22 39 A Y S S- 0 0 128 -4,-0.0 -2,-2.1 0, 0.0 2,-0.5 -0.924 100.6 -84.9-174.8 158.2 53.7 3.8 41.0 23 40 A H E +J 19 0C 28 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.744 49.3 159.3 -75.1 124.6 53.0 4.1 37.3 24 41 A F E + 0 0 30 -6,-2.1 2,-0.3 -2,-0.5 153,-0.2 0.606 58.5 7.6-120.6 -22.0 49.3 3.7 36.6 25 42 A b E -J 18 0C 8 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.4 -0.987 60.1-126.1-159.4 154.9 48.7 5.3 33.1 26 43 A G E +J 17 0C 0 151,-2.6 12,-0.3 -2,-0.3 2,-0.3 -0.259 28.4 176.9 -91.5-175.1 50.4 6.8 30.0 27 44 A G E -J 16 0C 0 -11,-0.7 -11,-1.7 10,-0.1 2,-0.4 -0.968 24.9-119.1 179.8 167.5 49.7 10.2 28.5 28 45 A S E -JL 15 36C 2 8,-2.4 8,-2.6 -2,-0.3 2,-0.6 -0.978 17.6-135.4-129.2 136.9 50.9 12.5 25.7 29 46 A L E + L 0 35C 1 -15,-1.8 74,-2.1 -2,-0.4 6,-0.3 -0.810 24.3 175.6 -88.8 131.5 52.3 15.9 26.2 30 47 A I E - 0 0 18 4,-2.7 2,-0.3 -2,-0.6 5,-0.2 0.483 67.6 -8.8-119.8 -4.8 50.6 18.2 23.6 31 48 A N E > S- L 0 34C 55 3,-1.0 3,-0.6 70,-0.1 -1,-0.3 -0.943 90.8 -75.2-165.6-171.9 52.2 21.5 24.7 32 49 A S T 3 S+ 0 0 46 -2,-0.3 62,-2.6 1,-0.3 60,-0.1 0.727 126.9 27.1 -70.9 -16.7 54.3 22.8 27.6 33 50 A Q T 3 S+ 0 0 60 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.455 110.4 70.3-119.5 1.6 51.6 22.8 30.1 34 51 A W E < -LM 31 89C 11 -3,-0.6 -4,-2.7 55,-0.2 -3,-1.0 -0.956 46.7-174.1-133.8 135.4 49.0 20.2 29.0 35 52 A V E -LM 29 88C 0 53,-2.6 53,-3.2 -2,-0.4 2,-0.4 -0.887 15.2-147.9-116.9 146.0 49.0 16.4 28.8 36 53 A V E +LM 28 87C 1 -8,-2.6 -8,-2.4 -2,-0.4 51,-0.2 -0.938 32.3 147.7-113.6 134.4 46.1 14.4 27.2 37 54 A S E - M 0 86C 0 49,-3.0 49,-2.0 -2,-0.4 2,-0.4 -0.709 49.8 -68.0-139.1-159.4 45.3 11.0 28.7 38 55 A A > - 0 0 0 -12,-0.3 3,-2.3 47,-0.3 4,-0.4 -0.794 33.3-129.7 -98.8 139.1 42.2 8.8 29.2 39 56 A A G > S+ 0 0 4 -2,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.839 107.5 64.7 -58.9 -31.2 39.3 9.7 31.5 40 57 A H G 3 S+ 0 0 42 1,-0.2 -1,-0.3 41,-0.1 137,-0.0 0.560 93.0 64.3 -75.0 5.0 39.4 6.3 33.2 41 58 A b G < S+ 0 0 4 -3,-2.3 -1,-0.2 2,-0.0 -2,-0.2 0.560 78.0 127.0 -95.5 -7.7 43.0 7.3 34.4 42 59 A Y < + 0 0 124 -3,-1.5 2,-0.3 -4,-0.4 -3,-0.0 -0.156 20.7 128.3 -54.9 132.8 41.5 10.1 36.5 43 60 A K - 0 0 65 0, 0.0 2,-0.2 0, 0.0 3,-0.2 -0.917 54.5-101.6-161.2 175.0 42.4 10.2 40.2 44 61 A S S S+ 0 0 97 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.670 95.4 49.8 -98.8 171.7 43.7 13.0 42.4 45 62 A G S S+ 0 0 65 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.973 75.2 168.0 68.0 54.2 47.4 13.3 43.6 46 63 A I - 0 0 10 21,-0.2 21,-2.8 -3,-0.2 2,-0.5 -0.893 21.7-166.8-107.2 127.4 48.8 12.8 40.0 47 64 A Q E -KN 19 66C 54 -28,-2.4 -28,-2.7 -2,-0.5 2,-0.6 -0.957 15.2-143.2-106.5 122.3 52.4 13.5 39.2 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.9 -2,-0.5 2,-0.7 -0.812 12.6-159.4 -84.3 123.2 53.2 13.8 35.5 49 65AA R E -KN 17 64C 49 -32,-2.9 -32,-2.0 -2,-0.6 3,-0.3 -0.929 13.6-175.9-110.9 106.9 56.7 12.2 34.9 50 66 A L E +KN 16 63C 1 13,-3.2 13,-2.0 -2,-0.7 -34,-0.1 -0.667 59.0 29.8 -96.5 158.1 58.2 13.5 31.6 51 69 A G S S+ 0 0 5 -36,-0.5 2,-0.3 -38,-0.3 -1,-0.2 0.806 85.6 151.3 63.5 35.7 61.5 12.4 29.9 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.642 24.0 152.2-100.3 149.7 61.3 8.9 31.3 53 71 A D S S+ 0 0 13 1,-0.6 2,-0.7 -2,-0.3 82,-0.2 0.238 79.9 35.1-131.8 -76.6 62.6 5.7 30.0 54 72 A N S S- 0 0 22 80,-0.2 -1,-0.6 1,-0.2 3,-0.5 -0.752 74.3-161.9 -75.9 116.6 63.4 3.3 33.0 55 73 A I S S+ 0 0 27 78,-2.6 -1,-0.2 -2,-0.7 79,-0.1 0.605 84.6 53.8 -77.4 -11.5 60.5 4.4 35.3 56 74 A N S S+ 0 0 114 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.597 105.1 53.3 -97.6 -9.4 62.2 2.8 38.3 57 75 A V S S- 0 0 72 -3,-0.5 2,-0.7 76,-0.2 -4,-0.2 -0.980 78.8-127.9-124.1 131.5 65.6 4.6 38.1 58 76 A V + 0 0 113 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.716 39.2 166.3 -75.9 116.4 66.3 8.4 37.8 59 77 A E - 0 0 103 -2,-0.7 -1,-0.2 1,-0.3 2,-0.1 0.410 52.7 -86.6-112.1 -3.7 68.6 8.4 34.7 60 78 A G S S+ 0 0 34 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.105 105.0 62.8 97.1 149.0 68.6 12.0 33.8 61 79 A N + 0 0 60 1,-0.3 -9,-0.1 -2,-0.1 -3,-0.0 0.098 69.1 135.4 82.1 -5.4 66.2 14.0 31.7 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.327 34.1-170.4 -64.2 136.7 63.2 13.3 34.0 63 81 A Q E -N 50 0C 35 -13,-2.0 -13,-3.2 -3,-0.1 2,-0.6 -0.992 5.7-162.0-125.3 127.1 60.9 16.2 34.9 64 82 A F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.978 17.8 173.0-103.4 112.5 58.4 15.4 37.7 65 83 A I E -N 48 0C 20 -17,-2.9 -17,-3.1 -2,-0.6 2,-0.2 -0.984 30.5-121.1-128.0 128.4 55.5 18.0 37.7 66 84 A S E -N 47 0C 51 -2,-0.4 25,-3.3 -19,-0.3 2,-0.4 -0.496 28.6-114.9 -60.3 140.4 52.3 17.9 39.7 67 85 A A E -O 90 0C 21 -21,-2.8 23,-0.3 23,-0.2 -21,-0.2 -0.638 24.5-164.2 -70.2 123.9 49.0 17.9 37.8 68 86 A S E S- 0 0 75 21,-3.1 2,-0.3 -2,-0.4 22,-0.2 0.829 72.6 -8.2 -82.8 -37.2 47.4 21.3 38.7 69 87 A K E -O 89 0C 88 20,-1.1 20,-2.5 2,-0.0 2,-0.4 -0.963 60.5-145.8-152.0 138.8 43.8 20.1 37.5 70 88 A S E -O 88 0C 32 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.937 13.1-158.8-103.2 137.2 42.6 17.1 35.6 71 89 A I E -O 87 0C 33 16,-2.8 16,-2.0 -2,-0.4 2,-0.2 -0.878 5.0-164.7-119.5 92.0 39.6 17.8 33.1 72 90 A V E -O 86 0C 43 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.540 42.0 -91.9 -67.6 139.5 37.7 14.5 32.3 73 91 A H > - 0 0 26 12,-2.2 3,-1.8 10,-0.3 -1,-0.1 -0.314 34.3-125.8 -55.6 133.4 35.4 15.0 29.2 74 92 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.874 109.0 46.0 -51.6 -36.8 31.9 16.2 30.5 75 93 A S T 3 S+ 0 0 77 2,-0.1 2,-0.3 8,-0.0 -2,-0.1 0.144 79.0 142.0 -95.7 21.2 30.1 13.4 28.6 76 94 A Y < - 0 0 54 -3,-1.8 2,-0.7 9,-0.1 7,-0.2 -0.465 35.8-159.2 -64.5 128.6 32.5 10.6 29.7 77 95 A N B >>> -P 82 0D 61 5,-2.1 4,-2.5 -2,-0.3 5,-0.6 -0.861 10.2-162.5-114.1 113.4 30.6 7.5 30.3 78 96 A S T 345S+ 0 0 82 -2,-0.7 -1,-0.1 1,-0.2 -2,-0.0 0.585 87.9 53.9 -73.6 -5.3 32.3 5.0 32.5 79 97 A N T 345S+ 0 0 151 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.768 123.9 23.6 -96.3 -30.0 30.1 2.1 31.4 80 98 A T T <45S- 0 0 64 -3,-0.5 -2,-0.2 2,-0.1 77,-0.2 0.610 93.8-134.8 -99.9 -18.9 30.6 2.4 27.6 81 99 A L T ><5 + 0 0 15 -4,-2.5 3,-0.8 1,-0.3 2,-0.2 0.651 49.5 156.6 61.7 27.4 34.0 4.2 27.8 82 100 A N B 3 < +P 77 0D 34 -5,-0.6 -5,-2.1 1,-0.3 -1,-0.3 -0.583 64.9 18.3 -76.3 144.4 32.6 6.6 25.2 83 101 A N T 3 S+ 0 0 19 -7,-0.2 2,-1.8 1,-0.2 -10,-0.3 0.887 79.3 174.1 59.2 44.2 34.5 9.9 25.3 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.544 32.7 111.9 -81.8 81.4 37.4 8.4 27.2 85 103 A I + 0 0 0 -2,-1.8 -12,-2.2 -47,-0.2 2,-0.3 -0.992 37.0 178.9-151.7 146.7 39.7 11.5 27.2 86 104 A M E -MO 37 72C 0 -49,-2.0 -49,-3.0 -2,-0.3 2,-0.4 -0.969 19.7-140.8-150.8 147.4 41.0 13.9 29.8 87 105 A L E -MO 36 71C 0 -16,-2.0 -16,-2.8 -2,-0.3 2,-0.5 -0.886 14.3-157.7-101.4 135.8 43.3 16.9 29.7 88 106 A I E -MO 35 70C 0 -53,-3.2 -53,-2.6 -2,-0.4 2,-0.4 -0.978 6.6-150.6-116.6 131.2 45.8 17.4 32.6 89 107 A K E -MO 34 69C 42 -20,-2.5 -21,-3.1 -2,-0.5 -20,-1.1 -0.870 18.2-131.4 -95.1 135.9 47.1 20.8 33.2 90 108 A L E - O 0 67C 1 -57,-3.0 -23,-0.2 -2,-0.4 -24,-0.1 -0.652 11.3-127.3 -89.2 142.9 50.7 20.9 34.7 91 109 A K S S+ 0 0 126 -25,-3.3 2,-0.3 -2,-0.3 -1,-0.1 0.804 96.4 10.2 -59.2 -30.1 51.5 23.1 37.7 92 110 A S S S- 0 0 75 -26,-0.3 2,-0.1 -60,-0.1 -24,-0.1 -0.935 96.6 -91.6-139.5 156.9 54.4 24.6 35.8 93 111 A A - 0 0 49 -2,-0.3 -60,-0.2 1,-0.1 2,-0.2 -0.369 39.7-120.1 -67.7 145.4 55.4 24.3 32.2 94 112 A A - 0 0 8 -62,-2.6 2,-0.6 -63,-0.1 -1,-0.1 -0.517 26.4-113.2 -76.3 158.6 57.8 21.5 31.3 95 113 A S - 0 0 82 -2,-0.2 2,-0.3 6,-0.0 -1,-0.0 -0.870 35.4-145.4 -93.3 120.8 61.1 22.6 29.7 96 114 A L + 0 0 81 -2,-0.6 5,-0.2 3,-0.0 2,-0.2 -0.672 38.8 132.4 -91.0 146.7 61.0 21.3 26.1 97 115 A N S S- 0 0 72 3,-2.3 3,-0.0 -2,-0.3 -1,-0.0 -0.662 73.7 -58.9-162.8-150.4 64.1 20.0 24.3 98 116 A S S S+ 0 0 93 -2,-0.2 3,-0.2 1,-0.2 -2,-0.0 0.767 133.3 45.3 -85.2 -23.3 64.9 16.8 22.2 99 117 A R S S+ 0 0 96 1,-0.3 2,-0.3 -87,-0.1 -48,-0.2 0.440 119.6 39.9 -95.3 -10.3 64.0 14.3 25.0 100 118 A V S S+ 0 0 0 -50,-0.1 -3,-2.3 -49,-0.1 2,-0.3 -0.855 77.5 147.5-140.7 106.2 60.8 16.0 26.1 101 119 A A - 0 0 31 -88,-1.3 -72,-0.3 -2,-0.3 2,-0.2 -0.979 44.2-112.7-139.9 150.8 58.7 17.4 23.1 102 120 A S - 0 0 51 -2,-0.3 2,-0.3 -72,-0.1 -72,-0.3 -0.548 25.3-133.8 -85.5 150.4 55.0 17.8 22.4 103 121 A I - 0 0 16 -74,-2.1 2,-0.2 -2,-0.2 83,-0.1 -0.750 28.4-108.9-100.1 147.9 53.1 15.7 19.7 104 122 A S B -c 186 0B 63 81,-0.8 83,-3.1 -2,-0.3 -73,-0.1 -0.506 22.2-121.7 -80.7 150.1 50.7 17.5 17.3 105 123 A L - 0 0 37 81,-0.2 83,-0.1 -2,-0.2 -1,-0.1 -0.573 40.2-102.2 -83.4 145.3 47.0 17.2 17.3 106 124 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.285 17.4-157.7 -71.3 156.8 45.5 15.9 14.0 107 125 A T S S+ 0 0 135 1,-0.3 2,-0.3 106,-0.0 -2,-0.0 0.435 84.1 14.4-104.2 -11.0 43.9 18.1 11.4 108 127 A S S S- 0 0 76 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.954 88.6 -95.1-153.7 166.1 42.0 15.1 10.0 109 128 A c - 0 0 56 -2,-0.3 2,-0.2 -3,-0.1 79,-0.0 -0.560 43.5-110.0 -87.0 154.6 41.2 11.5 11.0 110 129 A A - 0 0 31 -2,-0.2 3,-0.1 78,-0.1 -1,-0.1 -0.583 29.0-122.1 -87.4 149.6 43.4 8.7 9.9 111 130 A S > - 0 0 90 -2,-0.2 3,-1.7 1,-0.2 31,-0.3 -0.305 38.7 -80.4 -85.6 165.9 42.2 6.1 7.3 112 132 A A T 3 S+ 0 0 64 1,-0.2 31,-0.2 29,-0.1 -1,-0.2 -0.345 116.9 30.3 -61.7 139.8 42.1 2.4 7.7 113 133 A G T 3 S+ 0 0 50 29,-3.2 -1,-0.2 1,-0.3 2,-0.2 0.338 79.9 143.0 91.9 -9.3 45.5 0.7 7.2 114 134 A T < - 0 0 36 -3,-1.7 28,-1.9 29,-0.1 2,-0.4 -0.490 50.6-128.6 -63.6 129.4 47.5 3.7 8.5 115 135 A Q E +D 141 0B 108 26,-0.2 69,-0.6 -2,-0.2 2,-0.3 -0.719 34.8 177.7 -84.4 130.4 50.5 2.4 10.5 116 136 A d E -DE 140 183B 7 24,-2.3 24,-2.5 -2,-0.4 2,-0.5 -0.851 28.0-120.6-131.6 165.8 50.9 4.0 13.9 117 137 A L E -DE 139 182B 38 65,-2.8 65,-2.2 -2,-0.3 2,-0.4 -0.930 22.6-173.1-112.0 128.3 53.1 3.7 17.0 118 138 A I E +DE 138 181B 0 20,-2.9 20,-1.8 -2,-0.5 2,-0.3 -0.944 13.2 178.0-115.3 140.2 51.6 2.8 20.3 119 139 A S E +D 137 0B 0 61,-1.0 2,-0.3 -2,-0.4 18,-0.2 -0.978 11.4 118.5-144.1 151.3 53.9 3.0 23.4 120 140 A G E -D 136 0B 1 16,-2.1 16,-1.9 -2,-0.3 56,-0.2 -0.949 58.3 -96.2 173.1-179.8 53.8 2.5 27.2 121 141 A W S S+ 0 0 2 54,-0.5 2,-0.1 -2,-0.3 55,-0.1 -0.094 73.3 122.0-105.3 34.3 54.9 0.8 30.4 122 142 A G S S- 0 0 0 1,-0.2 53,-0.3 9,-0.1 52,-0.1 -0.446 70.4 -47.4 -98.9 177.9 52.1 -1.8 30.7 123 143 A N - 0 0 6 51,-2.5 -1,-0.2 1,-0.1 8,-0.2 0.170 37.5-166.7 -42.2 134.1 51.9 -5.4 30.9 124 144 A T + 0 0 39 6,-1.5 -121,-0.5 -3,-0.1 2,-0.4 0.394 67.8 76.6-104.3 -3.8 54.0 -7.4 28.3 125 145 A K - 0 0 96 5,-0.2 3,-0.2 3,-0.2 5,-0.2 -0.869 56.9-163.5-113.6 139.8 52.3 -10.7 29.0 126 146 A S S S+ 0 0 59 -2,-0.4 2,-0.9 1,-0.3 71,-0.2 0.887 91.0 44.7 -84.5 -46.9 48.8 -11.8 27.8 127 147 A S S S- 0 0 98 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 -0.818 129.4 -11.5 -96.1 96.8 48.5 -14.7 30.3 128 148 A G S S- 0 0 48 -2,-0.9 2,-0.4 -3,-0.2 -3,-0.2 -0.562 92.5 -69.5 108.8-173.7 49.8 -13.3 33.6 129 149 A T + 0 0 93 -2,-0.2 2,-0.3 -5,-0.1 -3,-0.1 -0.977 40.7 163.1-124.0 133.3 51.6 -10.0 34.4 130 150 A S - 0 0 59 -2,-0.4 -6,-1.5 -5,-0.2 -5,-0.2 -0.859 21.3-158.2-144.4 105.1 55.2 -8.7 33.6 131 151 A Y - 0 0 132 -2,-0.3 2,-0.1 -8,-0.2 -9,-0.1 -0.693 14.7-136.2 -83.8 132.0 55.7 -5.0 33.9 132 152 A P - 0 0 17 0, 0.0 -77,-0.1 0, 0.0 4,-0.1 -0.490 3.8-144.5 -77.3 161.4 58.7 -3.6 32.0 133 153 A D S S+ 0 0 83 -2,-0.1 -78,-2.6 -79,-0.1 -77,-0.3 0.773 83.9 48.1 -88.0 -39.5 61.1 -1.1 33.5 134 154 A V S S- 0 0 33 -80,-0.3 -80,-0.2 -79,-0.1 -14,-0.1 -0.712 101.4 -81.1-108.2 161.9 61.6 0.8 30.2 135 155 A L - 0 0 3 -2,-0.3 -128,-2.1 -82,-0.2 -127,-0.4 -0.293 42.5-153.8 -63.2 132.5 59.3 2.1 27.6 136 156 A K E -BD 6 120B 50 -16,-1.9 -16,-2.1 -130,-0.2 2,-0.3 -0.796 7.0-155.9-112.6 153.1 58.0 -0.5 25.1 137 157 A a E -BD 5 119B 3 -132,-2.7 -132,-2.2 -2,-0.3 2,-0.3 -0.892 9.5-172.6-126.9 150.8 56.8 0.3 21.5 138 158 A L E - D 0 118B 4 -20,-1.8 -20,-2.9 -2,-0.3 2,-0.5 -0.980 16.9-147.5-147.1 134.8 54.5 -1.3 18.9 139 159 A K E + D 0 117B 119 -2,-0.3 -22,-0.2 -22,-0.2 -24,-0.1 -0.894 34.4 164.0 -95.7 129.5 53.8 -0.5 15.3 140 160 A A E - D 0 116B 0 -24,-2.5 -24,-2.3 -2,-0.5 2,-0.2 -0.996 31.4-124.1-149.8 140.6 50.1 -1.4 14.6 141 161 A P E - D 0 115B 22 0, 0.0 23,-1.9 0, 0.0 2,-0.4 -0.548 28.0-109.2 -83.7 153.4 47.7 -0.5 11.8 142 162 A I B -F 163 0B 12 -28,-1.9 -29,-3.2 -31,-0.3 21,-0.3 -0.723 39.1-134.0 -74.3 129.5 44.2 1.2 12.2 143 163 A L - 0 0 28 19,-2.8 19,-0.3 -2,-0.4 2,-0.1 -0.436 23.0 -96.4 -85.7 157.9 41.6 -1.4 11.4 144 164 A S > - 0 0 37 -2,-0.1 4,-2.1 1,-0.1 3,-0.5 -0.520 34.6-113.6 -70.0 153.5 38.5 -0.8 9.2 145 165 A D H > S+ 0 0 90 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.888 114.3 56.4 -60.9 -30.1 35.4 0.2 10.9 146 166 A S H > S+ 0 0 79 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.898 108.0 44.8 -68.1 -40.1 33.7 -3.1 9.8 147 167 A S H > S+ 0 0 46 -3,-0.5 4,-1.3 2,-0.2 -1,-0.2 0.902 114.7 50.4 -75.7 -27.1 36.3 -5.4 11.3 148 168 A e H >X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 3,-0.9 0.986 114.6 42.6 -69.1 -54.5 36.3 -3.4 14.5 149 169 A K H 3< S+ 0 0 101 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.872 110.4 57.1 -59.0 -38.6 32.5 -3.5 14.8 150 170 A S H 3< S+ 0 0 98 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.802 110.9 45.5 -64.9 -22.2 32.5 -7.3 13.8 151 171 A A H << S+ 0 0 12 -4,-1.3 -2,-0.2 -3,-0.9 -1,-0.2 0.778 126.7 25.8 -86.8 -31.3 34.9 -7.9 16.8 152 172 A Y S >X S- 0 0 0 -4,-1.7 3,-1.9 -5,-0.1 4,-0.7 -0.581 84.9-162.3-130.8 65.5 33.0 -5.8 19.4 153 173 A P T 34 S+ 0 0 91 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.274 76.1 3.3 -59.0 128.5 29.4 -5.9 18.1 154 174 A G T 34 S+ 0 0 87 2,-0.1 -5,-0.1 1,-0.1 -4,-0.1 0.188 114.8 84.0 83.3 -13.7 27.4 -3.1 19.7 155 175 A Q T <4 + 0 0 81 -3,-1.9 2,-0.7 -6,-0.2 -1,-0.1 0.564 62.4 91.4-104.1 -3.5 30.3 -1.6 21.7 156 176 A I < - 0 0 17 -4,-0.7 -2,-0.1 -7,-0.1 2,-0.1 -0.771 53.3-168.7 -97.3 116.9 32.1 0.7 19.3 157 177 A T > - 0 0 39 -2,-0.7 3,-1.2 -77,-0.2 -2,-0.1 -0.382 42.6 -99.6 -92.2 177.7 30.9 4.3 19.2 158 178 A S T 3 S+ 0 0 86 1,-0.3 53,-0.1 -2,-0.1 -1,-0.1 0.573 120.4 67.5 -75.2 -1.6 32.0 6.8 16.5 159 179 A N T 3 S+ 0 0 28 51,-0.0 49,-2.1 48,-0.0 2,-0.3 0.005 96.4 65.9-101.4 26.6 34.6 8.1 19.0 160 180 A M E < - G 0 207B 6 -3,-1.2 2,-0.3 47,-0.3 47,-0.2 -0.934 54.8-176.5-147.6 154.1 36.6 4.9 19.0 161 181 A F E - G 0 206B 13 45,-1.4 45,-3.2 -2,-0.3 2,-0.4 -0.959 23.2-124.7-150.9 159.0 38.6 2.8 16.5 162 182 A e E + G 0 205B 1 -2,-0.3 -19,-2.8 -19,-0.3 2,-0.3 -0.827 26.8 176.6-103.1 146.1 40.4 -0.5 16.7 163 183 A A E +FG 142 204B 0 41,-1.9 41,-1.2 -2,-0.4 2,-0.4 -0.991 37.0 57.5-143.0 144.3 44.1 -0.9 15.9 164 184 A G S S- 0 0 3 -23,-1.9 2,-0.4 -2,-0.3 7,-0.1 -0.987 82.6 -44.5 142.8-146.6 46.2 -4.0 16.1 165 184AA Y > - 0 0 43 5,-0.6 3,-1.4 -2,-0.4 5,-0.2 -0.983 24.4-153.4-140.0 123.2 46.3 -7.5 14.8 166 185 A L T 3 S+ 0 0 66 -2,-0.4 35,-2.8 1,-0.3 36,-0.2 0.798 95.8 64.6 -68.8 -25.9 43.5 -9.9 14.4 167 186 A E T 3 S- 0 0 140 1,-0.2 -1,-0.3 33,-0.2 33,-0.2 0.655 104.2-135.0 -75.8 -7.8 45.9 -13.0 14.6 168 187 A G S < S+ 0 0 13 -3,-1.4 2,-0.4 31,-0.3 31,-0.2 -0.400 70.6 100.1 87.3-173.5 46.7 -11.9 18.3 169 188 A G S S+ 0 0 43 29,-2.5 2,-0.4 28,-0.2 30,-0.1 -0.006 78.7 65.6 85.1 -32.7 50.2 -11.7 20.0 170 188AA K + 0 0 92 -2,-0.4 -5,-0.6 -5,-0.2 2,-0.3 -0.989 64.3 111.7-125.4 131.6 50.7 -7.9 19.7 171 189 A D B -A 2 0A 3 -169,-2.1 -169,-2.9 -2,-0.4 2,-0.1 -0.985 63.9 -88.3-175.3 164.9 48.6 -5.3 21.5 172 190 A S + 0 0 0 -2,-0.3 26,-0.4 -171,-0.2 2,-0.3 -0.406 51.7 177.9 -75.7 172.1 48.5 -2.6 24.2 173 191 A f > - 0 0 0 -2,-0.1 3,-1.9 24,-0.1 4,-0.2 -0.886 37.7 -27.9-161.4-176.9 47.5 -4.1 27.6 174 192 A Q T 3 S+ 0 0 56 -2,-0.3 -51,-2.5 1,-0.2 -149,-0.1 -0.261 125.4 26.3 -53.2 124.1 47.0 -3.0 31.3 175 193 A G T 3 S+ 0 0 16 -53,-0.3 -54,-0.5 -151,-0.2 -1,-0.2 0.173 101.3 87.7 104.4 -15.7 49.2 0.0 32.3 176 194 A D X + 0 0 0 -3,-1.9 3,-1.9 -56,-0.2 15,-0.3 0.599 60.0 123.7 -83.4 -15.8 49.3 1.3 28.7 177 195 A S T 3 S+ 0 0 5 1,-0.3 -151,-2.6 -4,-0.2 15,-0.2 -0.166 70.9 23.1 -48.9 137.5 45.9 3.3 29.2 178 196 A G T 3 S+ 0 0 0 13,-2.3 -1,-0.3 1,-0.3 -150,-0.1 0.115 97.9 127.9 91.5 -16.6 46.0 7.0 28.5 179 197 A G < - 0 0 0 -3,-1.9 12,-2.7 1,-0.1 -1,-0.3 -0.167 60.1 -87.1 -78.6 166.1 49.1 6.5 26.2 180 198 A P E - H 0 190B 0 0, 0.0 -61,-1.0 0, 0.0 2,-0.4 -0.233 19.8-166.0 -76.0 151.4 49.6 7.7 22.7 181 199 A V E -EH 118 189B 0 8,-1.4 7,-2.2 -63,-0.2 8,-1.8 -0.951 23.6-171.0-127.1 111.3 48.8 6.2 19.3 182 200 A V E -EH 117 187B 12 -65,-2.2 -65,-2.8 -2,-0.4 2,-0.4 -0.914 9.5-179.3-113.5 132.8 50.8 8.3 16.8 183 201 A d E > S-EH 116 186B 3 3,-2.4 3,-2.2 -2,-0.4 -67,-0.2 -0.995 74.0 -14.2-136.2 129.6 50.2 8.0 13.0 184 202 A S T 3 S- 0 0 110 -69,-0.6 -1,-0.1 -2,-0.4 3,-0.1 0.805 128.2 -52.9 38.6 45.9 52.3 10.1 10.7 185 203 A G T 3 S+ 0 0 43 1,-0.2 -81,-0.8 -82,-0.0 2,-0.3 0.633 116.5 105.2 77.9 11.6 53.5 12.5 13.4 186 204 A K E < S-cH 104 183B 71 -3,-2.2 -3,-2.4 -83,-0.1 2,-0.8 -0.957 77.0-116.2-124.6 143.7 50.0 13.3 14.8 187 209 A L E + H 0 182B 0 -83,-3.1 -5,-0.2 -2,-0.3 3,-0.1 -0.677 45.8 159.6 -75.2 105.5 48.3 12.0 18.0 188 210 A Q E + 0 0 13 -7,-2.2 21,-1.8 -2,-0.8 22,-0.5 0.673 55.1 28.0-102.6 -21.5 45.3 10.0 16.5 189 211 A G E -IH 208 181B 0 -8,-1.8 -8,-1.4 19,-0.2 2,-0.4 -0.929 52.3-149.0-142.8 163.0 44.5 7.7 19.5 190 212 A I E -IH 207 180B 1 17,-0.8 17,-2.3 -2,-0.3 2,-0.1 -1.000 38.7-112.0-127.5 125.9 44.5 7.2 23.2 191 213 A V E +I 206 0B 0 -12,-2.7 -13,-2.3 -2,-0.4 15,-0.2 -0.411 54.5 151.1 -54.6 126.8 44.9 3.7 24.5 192 214 A S E - 0 0 2 13,-1.5 2,-0.3 1,-0.4 14,-0.2 0.753 45.9 -33.1-130.5 -62.9 41.5 2.8 26.2 193 215 A W E +I 205 0B 11 12,-1.6 12,-3.0 -19,-0.0 -1,-0.4 -0.944 43.3 165.4-154.1 174.4 40.1 -0.7 26.4 194 216 A G - 0 0 0 31,-3.1 2,-1.1 -2,-0.3 10,-0.1 -0.941 53.4 -78.7-175.9 176.4 40.0 -4.1 24.7 195 217 A S S S- 0 0 17 8,-0.4 4,-0.4 -2,-0.3 7,-0.1 -0.736 93.3 -53.9 -90.5 97.0 39.0 -7.7 25.7 196 219 A G S S- 0 0 30 -2,-1.1 2,-0.4 2,-0.1 -70,-0.0 -0.341 91.5 -57.4 68.9-149.9 42.1 -8.9 27.6 197 220 A f S S- 0 0 4 -71,-0.2 -28,-0.2 1,-0.1 -24,-0.1 -0.988 101.9 -14.1-137.5 129.5 45.4 -8.4 25.7 198 221 A A S S+ 0 0 8 -2,-0.4 -29,-2.5 -26,-0.4 2,-0.2 0.735 82.1 156.1 54.2 34.1 46.6 -9.7 22.3 199 221AA Q > - 0 0 91 3,-0.5 3,-1.5 -4,-0.4 -31,-0.3 -0.508 53.4 -87.9 -86.6 153.0 43.8 -12.3 22.0 200 222 A K T 3 S- 0 0 137 1,-0.3 -33,-0.2 -33,-0.2 -34,-0.1 -0.335 108.8 -0.2 -60.4 133.8 42.8 -13.6 18.6 201 223 A N T 3 S+ 0 0 76 -35,-2.8 -1,-0.3 1,-0.1 -35,-0.1 0.372 108.7 99.8 62.5 5.9 40.1 -11.4 16.9 202 224 A K < - 0 0 76 -3,-1.5 -3,-0.5 -37,-0.2 -4,-0.2 -0.671 54.3-179.8-118.4 75.1 40.0 -9.0 19.9 203 225 A P - 0 0 3 0, 0.0 -8,-0.4 0, 0.0 -39,-0.2 -0.121 35.6 -89.3 -68.3 170.4 42.1 -5.9 18.9 204 226 A G E -G 163 0B 0 -41,-1.2 -41,-1.9 -10,-0.1 2,-0.4 -0.496 36.6-136.9 -81.8 156.2 42.6 -2.9 21.2 205 227 A V E -GI 162 193B 1 -12,-3.0 -12,-1.6 -43,-0.2 -13,-1.5 -0.917 19.3-164.1-119.1 138.4 40.2 -0.0 21.0 206 228 A Y E -GI 161 191B 1 -45,-3.2 -45,-1.4 -2,-0.4 2,-0.3 -0.924 27.2-108.5-127.5 137.1 41.4 3.5 21.0 207 229 A T E -GI 160 190B 3 -17,-2.3 2,-1.2 -2,-0.3 -17,-0.8 -0.546 37.7-126.6 -62.3 127.5 39.7 6.9 21.7 208 230 A K E > - I 0 189B 48 -49,-2.1 3,-1.1 -2,-0.3 4,-0.3 -0.579 26.0-170.6 -82.6 94.5 39.5 8.7 18.3 209 231 A V G >> S+ 0 0 0 -21,-1.8 3,-2.2 -2,-1.2 4,-0.5 0.807 73.3 73.5 -63.3 -29.8 41.3 12.0 19.0 210 232 A c G >4 S+ 0 0 22 -22,-0.5 3,-0.8 1,-0.3 4,-0.3 0.892 93.2 57.6 -57.4 -23.2 40.4 13.8 15.7 211 233 A N G <4 S+ 0 0 72 -3,-1.1 -1,-0.3 1,-0.2 4,-0.2 0.680 108.9 45.8 -77.7 -13.0 36.8 14.1 16.9 212 234 A Y G <> S+ 0 0 7 -3,-2.2 4,-2.8 -4,-0.3 -1,-0.2 0.382 76.1 104.0-116.8 10.9 38.0 16.1 20.0 213 235 A V H S+ 0 0 83 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.900 114.2 51.5 -66.9 -36.7 38.0 21.6 18.8 215 237 A W H > S+ 0 0 48 -4,-0.2 4,-2.8 2,-0.2 5,-0.2 0.951 111.4 46.3 -63.4 -46.1 37.1 20.5 22.3 216 238 A I H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.967 114.3 48.4 -56.9 -50.0 40.8 20.2 23.4 217 239 A K H X S+ 0 0 127 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.887 114.2 44.6 -60.3 -42.0 41.5 23.6 21.9 218 240 A Q H X S+ 0 0 135 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.895 113.5 49.0 -74.4 -38.0 38.6 25.3 23.5 219 241 A T H >X S+ 0 0 14 -4,-2.8 3,-0.6 -5,-0.2 4,-0.6 0.937 113.2 47.3 -65.0 -42.5 39.1 23.8 26.9 220 242 A I H >< S+ 0 0 32 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.933 110.8 53.3 -65.2 -45.0 42.8 24.7 27.0 221 243 A A H 3< S+ 0 0 85 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.662 110.8 45.0 -65.1 -23.1 42.1 28.2 25.9 222 244 A S H << 0 0 90 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.449 360.0 360.0 -94.9 -5.3 39.6 28.8 28.6 223 245 A N << 0 0 86 -3,-1.3 -2,-0.1 -4,-0.6 -1,-0.1 -0.107 360.0 360.0-120.3 360.0 41.7 27.3 31.4 224 ! 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 0.0 225 732 A X 0 0 233 0, 0.0 -31,-3.1 0, 0.0 -30,-0.0 0.000 360.0 360.0 360.0 360.0 38.8 -4.6 30.3