==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-MAR-03 1O33 . COMPND 2 MOLECULE: BETA-TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ,K.ELROD,E.VERNER,R.L.MACKMAN,C.LUONG,W.D.SHRADER, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9153.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 60.5 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 . 69 30.9 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 . 18 8.1 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 . 14 6.3 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 1 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 . 3 2 2 5 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 3 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 127.2 52.8 -3.6 25.5 2 17 A V B +A 171 0A 9 169,-2.7 169,-2.1 1,-0.2 123,-0.1 -0.900 360.0 11.2-108.0 134.8 52.8 -7.3 24.4 3 18 A G S S+ 0 0 48 121,-0.5 -1,-0.2 -2,-0.4 167,-0.1 0.639 102.8 120.7 74.4 15.7 54.9 -8.4 21.3 4 19 A G - 0 0 32 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.136 55.4-121.1 -98.7-164.9 56.6 -5.0 21.2 5 20 A Y E -B 137 0B 92 132,-2.5 132,-2.9 -3,-0.1 2,-0.5 -0.875 34.8 -85.1-134.5 167.8 60.3 -3.9 21.4 6 21 A T E -B 136 0B 71 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.621 36.9-148.9 -73.5 119.6 62.4 -1.7 23.6 7 22 A a - 0 0 18 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.912 36.2-112.9 -58.5 -45.5 62.0 1.8 22.1 8 23 A G > - 0 0 28 127,-0.5 3,-1.6 -3,-0.1 4,-0.3 -0.032 49.9 -56.8 116.7 139.2 65.5 3.1 23.0 9 24 A A T 3 S- 0 0 57 1,-0.2 44,-0.1 2,-0.1 43,-0.0 -0.207 118.2 -10.3 -53.7 128.6 66.0 5.9 25.7 10 25 A N T 3 S+ 0 0 38 42,-0.4 -1,-0.2 2,-0.1 43,-0.1 0.732 90.0 126.8 54.4 32.3 64.1 9.1 24.9 11 26 A T S < S+ 0 0 80 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.578 77.3 47.8 -89.4 -8.3 63.2 8.1 21.3 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.7 87,-0.1 -1,-0.3 -0.699 73.9 173.2-128.0 75.8 59.5 8.9 22.2 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.642 71.8 58.1 -68.0 -15.8 60.0 12.3 23.8 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.466 80.8 109.1 -92.8 -2.3 56.3 13.1 24.2 15 30 A Q E < -J 28 0C 7 -3,-1.7 36,-0.4 13,-0.2 37,-0.4 -0.570 47.3-175.4 -75.9 131.8 55.6 10.0 26.3 16 31 A V E -J 27 0C 0 11,-2.2 11,-1.1 -2,-0.3 2,-0.4 -0.878 19.6-138.7-125.1 161.0 54.8 10.7 30.0 17 32 A S E -JK 26 49C 0 32,-2.2 32,-2.7 -2,-0.3 2,-0.6 -0.964 14.6-141.5-115.8 132.3 54.2 8.4 32.9 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.3 -2,-0.4 7,-1.0 -0.863 28.5-169.4 -97.4 127.9 51.4 9.3 35.4 19 34 A N E +JK 23 47C 16 28,-2.7 28,-2.2 -2,-0.6 4,-0.2 -0.973 34.9 166.0-125.6 133.5 52.7 8.4 38.9 20 37 A S S S- 0 0 37 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.394 97.5 -47.4-132.8 46.8 51.0 8.2 42.4 21 38 A G S S+ 0 0 71 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.420 140.0 32.4 100.8 -4.8 53.9 6.3 44.1 22 39 A Y S S- 0 0 128 -4,-0.0 -2,-2.0 0, 0.0 2,-0.4 -0.924 101.6 -86.5-170.6 160.7 54.0 3.8 41.1 23 40 A H E +J 19 0C 29 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.661 49.7 160.4 -77.8 126.1 53.4 4.1 37.3 24 41 A F E + 0 0 30 -6,-2.3 2,-0.3 1,-0.4 151,-0.3 0.571 59.9 2.9-124.5 -19.0 49.6 3.6 36.7 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.4 -0.987 61.3-126.6-159.2 166.1 49.0 5.2 33.2 26 43 A G E +J 17 0C 1 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.443 24.9 179.0-107.1-177.1 50.7 6.9 30.3 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.2 -2,-0.2 2,-0.4 -0.965 24.5-114.1-170.7 174.2 49.9 10.2 28.6 28 45 A S E -JL 15 36C 1 8,-2.3 8,-2.4 -2,-0.3 2,-0.6 -0.987 19.2-130.7-127.6 134.7 51.2 12.5 25.8 29 46 A L E + L 0 35C 0 -15,-2.2 74,-2.2 -2,-0.4 6,-0.2 -0.712 28.2 172.6 -81.4 120.7 52.7 16.0 26.2 30 47 A I E - 0 0 19 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.621 69.4 -7.3-107.3 -14.0 50.9 18.3 23.6 31 48 A N E > S- L 0 34C 49 3,-1.1 3,-0.7 70,-0.1 -1,-0.3 -0.921 93.0 -78.2-161.6 176.8 52.4 21.7 24.8 32 49 A S T 3 S+ 0 0 47 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.625 126.5 28.1 -67.8 -9.1 54.7 22.7 27.7 33 50 A Q T 3 S+ 0 0 59 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.379 110.1 72.4-128.5 5.3 52.0 22.8 30.4 34 51 A W E < -LM 31 89C 12 -3,-0.7 -4,-2.2 55,-0.2 -3,-1.1 -0.969 48.0-174.9-130.6 141.2 49.4 20.2 29.1 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.7 -2,-0.4 2,-0.4 -0.935 15.1-146.0-124.1 145.7 49.2 16.4 28.8 36 53 A V E +LM 28 87C 0 -8,-2.4 -8,-2.3 -2,-0.3 2,-0.2 -0.938 33.4 146.2-114.0 135.5 46.4 14.4 27.2 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.3 -2,-0.4 2,-0.3 -0.719 50.3 -66.9-145.9-163.4 45.6 11.0 28.8 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.761 32.1-129.0-101.4 145.2 42.4 8.8 29.2 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.842 107.8 62.1 -59.6 -34.5 39.5 9.7 31.5 40 57 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.546 92.9 64.4 -73.8 -1.0 39.7 6.3 33.2 41 58 A b G < S+ 0 0 5 -3,-1.9 -1,-0.3 -15,-0.1 -2,-0.2 0.413 77.6 128.7 -94.6 -1.5 43.2 7.1 34.4 42 59 A Y < + 0 0 123 -3,-1.7 2,-0.3 -4,-0.2 -3,-0.0 -0.269 21.0 132.1 -57.6 134.7 41.8 9.9 36.6 43 60 A K - 0 0 56 0, 0.0 3,-0.3 0, 0.0 2,-0.2 -0.948 53.6-104.7-167.4 168.5 42.8 10.0 40.3 44 61 A S S S+ 0 0 96 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.626 95.5 51.9-100.1 166.3 44.0 12.7 42.6 45 62 A G S S+ 0 0 65 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.858 72.9 165.9 79.9 34.7 47.7 12.9 43.7 46 63 A I - 0 0 11 -3,-0.3 21,-2.3 21,-0.1 2,-0.5 -0.720 20.4-172.5 -92.5 131.2 49.1 12.7 40.1 47 64 A Q E -KN 19 66C 52 -28,-2.2 -28,-2.7 -2,-0.5 2,-0.5 -0.961 19.3-141.5-113.8 131.7 52.8 13.5 39.5 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.5 -2,-0.5 2,-0.6 -0.830 11.9-156.4 -97.6 130.7 53.6 13.6 35.7 49 65AA R E -KN 17 64C 49 -32,-2.7 -32,-2.2 -2,-0.5 3,-0.3 -0.941 12.7-175.3-115.7 116.6 57.0 12.2 34.9 50 66 A L E + N 0 63C 2 13,-2.9 13,-1.7 -2,-0.6 -34,-0.1 -0.645 61.1 29.2-104.6 160.0 58.6 13.4 31.6 51 69 A G S S+ 0 0 7 -36,-0.4 -1,-0.2 -38,-0.3 2,-0.2 0.687 84.0 151.7 62.4 25.4 61.9 12.3 30.0 52 70 A E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.486 22.9 152.3 -87.5 155.4 61.7 8.8 31.4 53 71 A D S S+ 0 0 15 1,-0.3 2,-0.8 4,-0.2 -1,-0.2 0.183 82.7 33.6-139.9 -80.5 63.0 5.6 30.0 54 72 A N S > S- 0 0 22 80,-0.2 3,-1.0 1,-0.2 -1,-0.3 -0.707 73.3-163.8 -80.2 111.0 63.7 3.3 33.1 55 73 A I T 3 S+ 0 0 28 78,-2.3 -1,-0.2 -2,-0.8 79,-0.1 0.562 86.0 52.8 -74.7 -4.4 60.8 4.4 35.4 56 74 A N T 3 S+ 0 0 119 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.459 106.3 57.2-106.8 -3.7 62.5 2.8 38.5 57 75 A V S < S- 0 0 69 -3,-1.0 2,-0.9 76,-0.2 -4,-0.2 -0.993 75.3-134.6-127.4 132.9 65.9 4.6 38.0 58 76 A V + 0 0 115 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.742 37.7 163.6 -84.7 110.0 66.7 8.4 37.9 59 77 A E - 0 0 107 -2,-0.9 -1,-0.2 1,-0.3 2,-0.1 0.526 55.0 -87.5-105.5 -10.0 69.1 8.3 34.8 60 78 A G S S+ 0 0 35 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.134 104.4 65.2 111.0 151.3 69.0 12.0 33.9 61 79 A N S S+ 0 0 69 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.163 70.2 131.3 87.2 -12.0 66.5 13.9 31.7 62 80 A E - 0 0 31 -13,-0.1 2,-0.4 -11,-0.0 -1,-0.3 -0.427 36.2-171.7 -71.9 148.0 63.6 13.3 34.0 63 81 A Q E -N 50 0C 33 -13,-1.7 -13,-2.9 -3,-0.1 2,-0.6 -0.986 6.3-162.2-136.8 122.7 61.3 16.2 35.0 64 82 A F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.963 17.9 170.8-109.8 117.3 58.8 15.3 37.7 65 83 A I E -N 48 0C 21 -17,-2.5 -17,-3.1 -2,-0.6 2,-0.1 -0.992 30.1-124.2-130.9 135.3 55.9 18.0 37.8 66 84 A S E -N 47 0C 46 -2,-0.4 25,-2.6 -19,-0.2 26,-0.3 -0.428 28.6-111.9 -75.9 153.7 52.7 17.8 39.8 67 85 A A E -O 90 0C 22 -21,-2.3 23,-0.3 23,-0.2 3,-0.1 -0.682 20.5-162.6 -80.1 136.6 49.4 18.1 38.0 68 86 A S E S- 0 0 79 21,-3.0 2,-0.3 1,-0.4 22,-0.2 0.803 75.0 -12.9 -90.4 -36.0 47.7 21.4 39.0 69 87 A K E -O 89 0C 87 20,-1.2 20,-2.8 2,-0.0 2,-0.4 -0.979 56.7-145.2-160.2 153.7 44.3 20.0 37.6 70 88 A S E -O 88 0C 32 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.978 12.9-156.9-121.8 134.8 42.9 17.1 35.5 71 89 A I E -O 87 0C 31 16,-3.1 16,-2.1 -2,-0.4 2,-0.2 -0.920 6.2-160.5-118.3 103.2 39.8 17.8 33.3 72 90 A V E -O 86 0C 46 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.577 40.0 -93.3 -79.1 142.5 37.9 14.6 32.5 73 91 A H > - 0 0 24 12,-2.0 3,-1.9 10,-0.3 -1,-0.1 -0.340 34.0-129.6 -55.9 133.1 35.6 15.0 29.4 74 92 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.805 107.0 47.7 -57.9 -30.4 32.2 16.1 30.8 75 93 A S T 3 S+ 0 0 78 2,-0.1 2,-0.1 8,-0.0 -2,-0.1 0.146 77.7 138.3 -97.8 17.5 30.4 13.3 28.7 76 94 A Y < - 0 0 56 -3,-1.9 2,-0.6 9,-0.1 7,-0.2 -0.469 39.0-158.5 -63.6 132.7 32.8 10.5 29.7 77 95 A N B >> -P 82 0D 65 5,-2.0 4,-2.3 -2,-0.1 5,-0.5 -0.964 6.0-160.4-114.4 111.7 30.7 7.3 30.4 78 96 A S T 45S+ 0 0 79 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.628 88.6 54.6 -70.7 -11.1 32.7 4.9 32.6 79 97 A N T 45S+ 0 0 146 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.855 123.6 22.0 -91.4 -37.5 30.5 2.0 31.6 80 98 A T T 45S- 0 0 69 -3,-0.1 -2,-0.2 2,-0.1 77,-0.1 0.621 95.1-134.1-100.2 -13.7 31.0 2.3 27.8 81 99 A L T ><5 + 0 0 31 -4,-2.3 3,-0.7 1,-0.3 2,-0.2 0.686 48.1 159.6 66.3 25.3 34.3 4.3 28.0 82 100 A N B 3 < +P 77 0D 35 -5,-0.5 -5,-2.0 1,-0.2 -1,-0.3 -0.563 65.5 19.5 -74.4 143.5 32.8 6.6 25.3 83 101 A N T 3 S+ 0 0 21 -7,-0.2 2,-2.0 -2,-0.2 -10,-0.3 0.906 80.3 174.0 63.2 45.6 34.7 10.0 25.4 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 -1,-0.2 -0.485 32.3 113.2 -83.1 76.6 37.6 8.4 27.3 85 103 A I - 0 0 0 -2,-2.0 -12,-2.0 -47,-0.3 2,-0.3 -0.997 38.2-178.9-146.4 146.2 39.9 11.5 27.2 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.7 -2,-0.3 2,-0.4 -0.991 16.5-144.6-145.3 147.0 41.3 13.8 30.0 87 105 A L E -MO 36 71C 0 -16,-2.1 -16,-3.1 -2,-0.3 2,-0.4 -0.901 12.1-161.0-112.9 141.8 43.6 16.8 29.9 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.4 -2,-0.4 2,-0.4 -0.991 5.9-151.7-123.8 130.9 46.1 17.4 32.7 89 107 A K E -MO 34 69C 49 -20,-2.8 -21,-3.0 -2,-0.4 -20,-1.2 -0.864 19.8-129.4-102.0 136.6 47.5 20.9 33.3 90 108 A L E - O 0 67C 0 -57,-2.9 -23,-0.2 -2,-0.4 -24,-0.1 -0.610 9.8-129.0 -86.8 147.8 51.0 20.9 34.9 91 109 A K S S+ 0 0 133 -25,-2.6 2,-0.3 -2,-0.2 -1,-0.1 0.880 98.2 14.8 -61.5 -42.5 51.8 23.1 38.0 92 110 A S S S- 0 0 75 -26,-0.3 2,-0.1 -60,-0.1 -1,-0.1 -0.918 95.6 -97.8-129.6 158.8 54.9 24.5 36.1 93 111 A A - 0 0 53 -2,-0.3 -60,-0.2 1,-0.1 2,-0.2 -0.448 40.7-116.1 -75.6 153.0 55.7 24.3 32.4 94 112 A A - 0 0 8 -62,-2.9 2,-0.8 -2,-0.1 -1,-0.1 -0.562 22.3-115.3 -85.5 155.2 58.2 21.6 31.3 95 113 A S - 0 0 81 -2,-0.2 2,-0.3 6,-0.0 5,-0.1 -0.815 35.9-148.9 -88.2 113.0 61.6 22.5 29.8 96 114 A L + 0 0 78 -2,-0.8 2,-0.2 3,-0.1 5,-0.2 -0.654 34.7 142.2 -87.6 143.0 61.3 21.2 26.3 97 115 A N S S- 0 0 61 3,-2.6 -1,-0.0 -2,-0.3 0, 0.0 -0.634 70.7 -66.7-151.5-153.1 64.5 19.9 24.7 98 116 A S S S+ 0 0 89 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.802 133.8 47.6 -83.4 -24.8 65.2 17.0 22.3 99 117 A R S S+ 0 0 93 1,-0.2 2,-0.5 -87,-0.1 -48,-0.2 0.675 118.1 39.7 -87.2 -21.3 64.4 14.4 25.1 100 118 A V S S+ 0 0 0 -50,-0.1 -3,-2.6 -49,-0.1 2,-0.3 -0.985 78.4 147.3-128.7 117.3 61.1 16.1 26.2 101 119 A A - 0 0 28 -88,-1.3 -72,-0.3 -2,-0.5 2,-0.2 -0.976 42.4-114.9-146.4 157.4 59.0 17.4 23.3 102 120 A S - 0 0 53 -2,-0.3 2,-0.3 -72,-0.1 -72,-0.3 -0.526 24.2-132.2 -92.8 165.5 55.3 17.8 22.6 103 121 A I - 0 0 16 -74,-2.2 2,-0.2 -89,-0.2 83,-0.1 -0.872 26.2-108.7-114.1 149.4 53.4 15.9 19.8 104 122 A S B -c 186 0B 60 81,-0.8 83,-2.7 -2,-0.3 -73,-0.1 -0.486 22.2-124.5 -80.4 148.1 51.1 17.6 17.3 105 123 A L - 0 0 34 81,-0.2 83,-0.1 -2,-0.2 2,-0.1 -0.539 38.9-104.1 -83.2 153.5 47.3 17.2 17.4 106 124 A P - 0 0 5 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.405 16.8-157.5 -81.0 158.2 45.9 16.0 14.0 107 125 A T S S+ 0 0 130 1,-0.2 2,-0.3 -2,-0.1 -2,-0.0 0.539 85.2 23.8-106.2 -15.1 44.1 18.2 11.5 108 127 A S S S- 0 0 78 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.968 89.6-101.2-144.5 159.8 42.3 15.2 9.9 109 128 A c - 0 0 56 -2,-0.3 2,-0.2 -3,-0.1 79,-0.0 -0.492 42.0-113.7 -80.1 153.8 41.4 11.6 11.1 110 129 A A - 0 0 28 -2,-0.1 2,-0.2 78,-0.1 -1,-0.1 -0.514 27.7-123.9 -87.1 156.6 43.6 8.8 10.0 111 130 A S > - 0 0 86 -2,-0.2 3,-2.1 1,-0.1 31,-0.3 -0.561 34.0 -82.5 -99.2 163.4 42.4 6.1 7.6 112 132 A A T 3 S+ 0 0 59 1,-0.3 31,-0.2 -2,-0.2 -1,-0.1 -0.274 117.4 35.0 -56.9 145.8 42.4 2.3 8.0 113 133 A G T 3 S+ 0 0 51 29,-3.4 -1,-0.3 1,-0.3 30,-0.1 0.181 80.9 137.7 91.7 -21.0 45.8 0.8 7.1 114 134 A T < - 0 0 37 -3,-2.1 28,-2.0 27,-0.1 2,-0.4 -0.402 53.2-131.7 -60.1 138.3 47.7 3.8 8.6 115 135 A Q E -D 141 0B 105 26,-0.2 69,-0.5 -3,-0.1 2,-0.3 -0.785 31.9-179.0 -92.8 132.7 50.7 2.4 10.6 116 136 A d E -D 140 0B 6 24,-2.7 24,-2.3 -2,-0.4 2,-0.5 -0.835 26.5-124.3-130.2 167.5 51.1 4.0 14.0 117 137 A L E -DE 139 182B 37 65,-2.6 65,-2.5 -2,-0.3 2,-0.4 -0.972 23.3-172.8-117.0 126.9 53.5 3.7 17.0 118 138 A I E +DE 138 181B 1 20,-2.5 20,-2.1 -2,-0.5 2,-0.3 -0.915 11.5 177.8-116.3 140.8 52.0 2.8 20.4 119 139 A S E +D 137 0B 0 61,-1.0 2,-0.3 -2,-0.4 18,-0.2 -0.969 11.3 122.5-144.7 159.4 54.3 3.0 23.5 120 140 A G E -D 136 0B 2 16,-2.2 16,-2.0 -2,-0.3 56,-0.2 -0.925 58.9-102.7 164.7 172.3 54.1 2.5 27.2 121 141 A W S S+ 0 0 2 54,-0.5 55,-0.1 -2,-0.3 3,-0.1 -0.058 73.3 127.7-106.6 25.8 55.3 0.7 30.4 122 142 A G S S- 0 0 0 1,-0.2 53,-0.3 14,-0.1 52,-0.1 -0.144 70.8 -52.5 -79.0 178.9 52.2 -1.6 30.7 123 143 A N - 0 0 8 51,-2.7 8,-0.2 8,-0.2 -1,-0.2 -0.130 39.8-161.1 -50.8 140.0 52.0 -5.3 31.0 124 144 A T + 0 0 37 6,-2.3 -121,-0.5 -3,-0.1 2,-0.4 0.393 67.5 77.2-106.3 1.9 54.1 -7.3 28.4 125 145 A K - 0 0 102 3,-0.3 3,-0.3 5,-0.3 5,-0.1 -0.932 58.7-158.8-115.9 138.6 52.3 -10.8 28.9 126 146 A S S S+ 0 0 53 -2,-0.4 2,-0.5 1,-0.3 71,-0.4 0.787 97.2 39.2 -81.1 -29.7 48.9 -11.7 27.5 127 147 A S S S- 0 0 88 69,-0.1 -1,-0.3 0, 0.0 2,-0.2 -0.800 128.7 -3.4-119.8 84.6 48.5 -14.4 30.0 128 148 A G S S- 0 0 44 -2,-0.5 2,-0.5 -3,-0.3 -3,-0.3 -0.598 88.1 -74.1 123.0 175.2 49.9 -13.1 33.4 129 149 A T + 0 0 94 -2,-0.2 2,-0.5 -5,-0.1 -3,-0.1 -0.934 43.5 157.9-117.2 118.4 51.7 -9.8 34.5 130 150 A S - 0 0 60 -2,-0.5 -6,-2.3 -5,-0.1 -5,-0.3 -0.991 23.0-163.0-130.3 119.4 55.3 -8.8 33.6 131 151 A Y - 0 0 114 -2,-0.5 -8,-0.2 -8,-0.2 -9,-0.1 -0.928 14.7-133.8-109.3 129.6 55.8 -5.0 33.9 132 152 A P - 0 0 19 0, 0.0 -77,-0.1 0, 0.0 4,-0.1 -0.258 8.2-144.2 -81.9 167.1 58.9 -3.6 32.2 133 153 A D S S+ 0 0 85 -79,-0.1 -78,-2.3 2,-0.1 -77,-0.3 0.811 85.6 49.6 -95.4 -37.7 61.4 -1.0 33.6 134 154 A V S S- 0 0 35 -80,-0.2 2,-0.2 -79,-0.1 -80,-0.2 -0.607 99.8 -83.9-103.9 165.4 62.0 0.6 30.2 135 155 A L - 0 0 6 -2,-0.2 -128,-1.9 -82,-0.1 -127,-0.5 -0.455 40.4-153.8 -69.1 131.7 59.6 1.9 27.6 136 156 A K E -BD 6 120B 46 -16,-2.0 -16,-2.2 -130,-0.2 2,-0.3 -0.802 6.6-158.3-108.3 149.1 58.2 -0.6 25.0 137 157 A a E -BD 5 119B 3 -132,-2.9 -132,-2.5 -2,-0.3 2,-0.3 -0.884 9.2-174.0-125.7 152.2 57.0 0.3 21.5 138 158 A L E - D 0 118B 6 -20,-2.1 -20,-2.5 -2,-0.3 2,-0.5 -0.979 16.7-147.2-147.1 130.3 54.7 -1.4 19.0 139 159 A K E + D 0 117B 121 -2,-0.3 -22,-0.2 -22,-0.2 -24,-0.0 -0.873 34.3 164.6 -97.3 131.1 54.0 -0.4 15.4 140 160 A A E - D 0 116B 0 -24,-2.3 -24,-2.7 -2,-0.5 2,-0.2 -0.997 31.1-123.5-146.1 146.1 50.4 -1.4 14.6 141 161 A P E - D 0 115B 24 0, 0.0 23,-2.2 0, 0.0 2,-0.4 -0.601 26.5-110.6 -89.9 156.6 47.9 -0.4 11.8 142 162 A I B -F 163 0B 11 -28,-2.0 -29,-3.4 -31,-0.3 21,-0.3 -0.672 39.3-137.3 -80.9 134.6 44.5 1.2 12.3 143 163 A L - 0 0 26 19,-2.7 19,-0.3 -2,-0.4 -29,-0.1 -0.498 23.5 -92.3 -91.6 164.7 41.8 -1.4 11.3 144 164 A S > - 0 0 41 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.335 33.9-116.7 -71.8 157.9 38.7 -0.8 9.2 145 165 A D H > S+ 0 0 84 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.877 113.7 58.5 -64.9 -35.9 35.5 0.1 11.1 146 166 A S H > S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.924 108.1 44.6 -62.9 -43.4 33.8 -3.1 9.8 147 167 A S H > S+ 0 0 46 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.906 114.5 50.1 -68.2 -36.9 36.5 -5.3 11.3 148 168 A e H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.950 114.7 42.2 -64.5 -50.3 36.4 -3.3 14.6 149 169 A K H < S+ 0 0 111 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.833 111.9 55.5 -67.4 -32.0 32.6 -3.5 14.9 150 170 A S H < S+ 0 0 95 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.859 111.0 45.8 -69.7 -32.1 32.6 -7.1 13.9 151 171 A A H < S+ 0 0 12 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.841 128.7 23.7 -77.8 -32.1 35.1 -7.8 16.8 152 172 A Y S >X S- 0 0 1 -4,-1.9 3,-2.3 -5,-0.1 4,-0.5 -0.524 85.5-160.7-128.2 62.3 33.2 -5.8 19.4 153 173 A P T 34 S+ 0 0 92 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.164 75.3 2.7 -53.7 136.1 29.5 -5.7 18.2 154 174 A G T 34 S+ 0 0 91 2,-0.1 -5,-0.1 1,-0.1 -4,-0.1 0.504 115.9 84.1 66.8 8.3 27.5 -2.9 19.8 155 175 A Q T <4 + 0 0 89 -3,-2.3 2,-0.5 -6,-0.2 -1,-0.1 0.477 64.4 87.8-118.1 -2.4 30.5 -1.5 21.8 156 176 A I < - 0 0 20 -4,-0.5 2,-0.2 -7,-0.1 -2,-0.1 -0.876 54.4-171.1-100.3 123.5 32.3 0.8 19.3 157 177 A T > - 0 0 39 -2,-0.5 3,-1.3 -77,-0.1 -2,-0.1 -0.471 44.2 -96.7-101.2 177.2 31.1 4.4 19.2 158 178 A S T 3 S+ 0 0 88 1,-0.3 53,-0.1 -2,-0.2 -1,-0.0 0.584 121.4 66.3 -71.9 -3.9 32.2 6.9 16.5 159 179 A N T 3 S+ 0 0 27 48,-0.1 49,-2.4 51,-0.0 2,-0.3 0.135 96.6 67.6-102.4 22.3 34.8 8.2 19.1 160 180 A M E < - G 0 207B 6 -3,-1.3 2,-0.3 47,-0.3 47,-0.2 -0.943 54.3-178.6-135.9 155.0 36.7 4.9 19.0 161 181 A F E - G 0 206B 11 45,-1.6 45,-3.0 -2,-0.3 2,-0.3 -0.959 23.8-124.8-148.6 158.8 38.9 3.0 16.4 162 182 A e E + G 0 205B 0 -19,-0.3 -19,-2.7 -2,-0.3 2,-0.3 -0.802 26.9 175.9-106.5 147.5 40.6 -0.4 16.6 163 183 A A E +FG 142 204B 0 41,-1.7 41,-1.3 -2,-0.3 2,-0.4 -0.988 36.7 55.2-148.0 146.3 44.3 -0.8 15.9 164 184 A G S S- 0 0 4 -23,-2.2 2,-0.4 -2,-0.3 7,-0.1 -0.970 83.3 -44.2 136.8-151.7 46.5 -3.9 16.1 165 184AA Y > - 0 0 49 5,-0.6 3,-1.4 -2,-0.4 37,-0.3 -0.984 24.9-155.7-131.1 121.8 46.5 -7.5 14.8 166 185 A L T 3 S+ 0 0 57 -2,-0.4 35,-3.1 1,-0.3 36,-0.1 0.734 94.3 68.6 -68.1 -22.9 43.6 -9.9 14.6 167 186 A E T 3 S- 0 0 125 33,-0.2 -1,-0.3 1,-0.2 33,-0.2 0.665 104.7-132.3 -71.7 -13.2 46.0 -12.9 14.7 168 187 A G S < S+ 0 0 11 -3,-1.4 31,-0.2 31,-0.3 -1,-0.2 -0.228 71.9 94.9 88.9 176.0 46.8 -12.0 18.4 169 188 A G S S+ 0 0 40 29,-2.4 2,-0.4 28,-0.1 30,-0.1 0.139 78.4 64.0 91.0 -26.2 50.4 -11.6 20.0 170 188AA K + 0 0 81 -5,-0.2 -5,-0.6 29,-0.1 2,-0.3 -0.993 65.8 117.4-132.8 125.4 51.0 -7.9 19.6 171 189 A D B -A 2 0A 6 -169,-2.1 -169,-2.7 -2,-0.4 2,-0.2 -0.981 60.6 -97.4-172.5 171.9 48.8 -5.3 21.5 172 190 A S - 0 0 8 -2,-0.3 26,-0.4 -171,-0.2 2,-0.3 -0.489 47.2-177.1 -92.3 173.6 48.8 -2.6 24.2 173 191 A f > - 0 0 12 -2,-0.2 3,-2.4 24,-0.1 4,-0.4 -0.918 36.7 -38.2-158.4-178.3 47.7 -3.8 27.7 174 192 A Q T 3 S+ 0 0 123 -2,-0.3 -51,-2.7 1,-0.3 -149,-0.1 -0.176 125.0 34.5 -50.5 136.6 46.9 -2.6 31.3 175 193 A G T 3 S+ 0 0 10 -53,-0.3 -54,-0.5 -151,-0.3 -1,-0.3 0.113 104.5 75.8 100.5 -23.2 49.5 0.1 32.3 176 194 A D X + 0 0 0 -3,-2.4 3,-2.0 -56,-0.2 15,-0.3 0.621 67.0 124.9 -91.2 -18.5 49.6 1.4 28.7 177 195 A S T 3 S+ 0 0 17 -4,-0.4 -151,-2.9 1,-0.3 15,-0.2 -0.100 71.9 22.5 -42.8 137.9 46.1 3.2 29.2 178 196 A G T 3 S+ 0 0 0 13,-2.6 -1,-0.3 1,-0.3 -150,-0.2 0.160 98.6 123.3 85.9 -14.9 46.2 6.9 28.5 179 197 A G < - 0 0 0 -3,-2.0 12,-2.2 1,-0.1 -1,-0.3 -0.133 62.4 -79.4 -79.2 175.0 49.3 6.7 26.3 180 198 A P E - H 0 190B 0 0, 0.0 -61,-1.0 0, 0.0 2,-0.5 -0.375 20.4-169.3 -82.9 150.6 49.8 7.7 22.7 181 199 A V E -EH 118 189B 0 8,-1.4 7,-2.0 -63,-0.2 8,-1.9 -0.972 26.8-171.2-130.9 106.0 49.0 6.2 19.3 182 200 A V E +EH 117 187B 13 -65,-2.5 -65,-2.6 -2,-0.5 2,-0.4 -0.930 10.3 179.8-110.8 130.7 51.0 8.4 16.8 183 201 A d E > S- H 0 186B 3 3,-2.2 3,-2.0 -2,-0.5 -67,-0.2 -0.998 72.4 -12.7-130.4 127.8 50.6 8.1 13.1 184 202 A S T 3 S- 0 0 112 -69,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.884 128.6 -54.4 49.7 42.6 52.6 10.3 10.7 185 203 A G T 3 S+ 0 0 44 1,-0.2 -81,-0.8 -3,-0.0 2,-0.4 0.603 116.5 107.1 73.3 8.9 53.7 12.6 13.5 186 204 A K E < S-cH 104 183B 73 -3,-2.0 -3,-2.2 -83,-0.1 2,-0.9 -0.931 76.0-117.0-122.1 148.2 50.2 13.3 14.8 187 209 A L E + H 0 182B 0 -83,-2.7 -5,-0.2 -2,-0.4 3,-0.1 -0.679 44.3 160.6 -79.8 105.4 48.5 12.0 18.0 188 210 A Q E + 0 0 14 -7,-2.0 21,-1.6 -2,-0.9 22,-0.5 0.723 56.5 23.1-101.4 -24.6 45.5 10.0 16.5 189 211 A G E -IH 208 181B 0 -8,-1.9 -8,-1.4 19,-0.2 2,-0.4 -0.936 52.9-146.4-143.0 167.5 44.7 7.8 19.5 190 212 A I E -IH 207 180B 2 17,-0.8 17,-2.2 -2,-0.3 2,-0.3 -0.994 41.2-107.9-127.9 130.9 44.8 7.3 23.2 191 213 A V E +I 206 0B 4 -12,-2.2 -13,-2.6 -2,-0.4 15,-0.2 -0.461 55.2 155.1 -60.7 120.0 45.1 3.7 24.6 192 214 A S E - 0 0 4 13,-1.5 2,-0.3 1,-0.3 14,-0.2 0.761 45.4 -39.5-117.7 -67.0 41.7 3.0 26.1 193 215 A W E +I 205 0B 54 12,-1.7 12,-2.9 -19,-0.0 -1,-0.3 -0.895 41.6 170.5-154.4-176.9 40.5 -0.7 26.4 194 216 A G - 0 0 27 -2,-0.3 2,-0.7 10,-0.2 10,-0.1 -0.902 48.3 -85.4 175.8 170.0 40.3 -4.2 24.8 195 217 A S S S- 0 0 50 8,-0.4 4,-0.4 -2,-0.3 7,-0.1 -0.881 94.4 -39.5 -98.4 109.8 39.3 -7.8 25.8 196 219 A G S S- 0 0 54 -2,-0.7 2,-0.4 2,-0.1 -69,-0.1 -0.278 94.0 -72.4 65.6-157.6 42.4 -9.3 27.6 197 220 A f S S- 0 0 17 -71,-0.4 -28,-0.1 1,-0.1 -24,-0.1 -0.998 102.8 -6.5-137.8 131.7 45.6 -8.3 25.8 198 221 A A S S+ 0 0 8 -2,-0.4 -29,-2.4 -26,-0.4 2,-0.2 0.757 84.1 154.7 56.0 35.8 46.8 -9.7 22.5 199 221AA Q > - 0 0 82 3,-0.5 3,-1.6 -4,-0.4 -31,-0.3 -0.575 53.4 -91.9 -87.8 151.5 44.0 -12.2 22.1 200 222 A K T 3 S+ 0 0 138 1,-0.3 -33,-0.2 -33,-0.2 -34,-0.1 -0.369 107.9 4.3 -63.8 143.2 43.1 -13.4 18.6 201 223 A N T 3 S+ 0 0 72 -35,-3.1 -1,-0.3 1,-0.1 -35,-0.1 0.597 107.3 99.4 55.0 20.1 40.3 -11.3 16.9 202 224 A K < - 0 0 74 -3,-1.6 -3,-0.5 -37,-0.3 -4,-0.2 -0.691 56.0-177.1-131.3 75.4 40.2 -8.9 20.0 203 225 A P - 0 0 3 0, 0.0 -8,-0.4 0, 0.0 -39,-0.2 -0.122 34.9 -88.6 -69.3 170.2 42.2 -5.8 18.8 204 226 A G E -G 163 0B 0 -41,-1.3 -41,-1.7 -10,-0.1 2,-0.4 -0.528 37.1-139.3 -79.7 151.8 42.9 -2.8 21.1 205 227 A V E -GI 162 193B 1 -12,-2.9 -12,-1.7 -43,-0.2 -13,-1.5 -0.934 20.4-166.4-115.3 135.2 40.3 0.0 21.1 206 228 A Y E -GI 161 191B 1 -45,-3.0 -45,-1.6 -2,-0.4 2,-0.4 -0.913 28.0-107.2-124.4 147.5 41.5 3.6 21.1 207 229 A T E -GI 160 190B 3 -17,-2.2 2,-1.3 -2,-0.3 -17,-0.8 -0.603 37.8-125.0 -74.9 130.9 39.9 7.0 21.7 208 230 A K E > - I 0 189B 51 -49,-2.4 3,-1.5 -2,-0.4 4,-0.3 -0.635 26.7-171.5 -82.0 91.3 39.7 8.8 18.3 209 231 A V G > S+ 0 0 0 -21,-1.6 3,-2.3 -2,-1.3 4,-0.4 0.792 75.2 71.3 -57.1 -36.2 41.5 12.1 19.0 210 232 A c G > S+ 0 0 23 -22,-0.5 3,-0.6 1,-0.3 -1,-0.3 0.800 93.8 60.1 -55.9 -25.2 40.6 13.8 15.7 211 233 A N G < S+ 0 0 66 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.652 108.3 43.9 -76.5 -13.1 37.0 14.0 17.1 212 234 A Y G <> S+ 0 0 8 -3,-2.3 4,-2.8 -4,-0.3 5,-0.2 0.292 74.7 106.6-114.8 10.1 38.2 16.1 20.1 213 235 A V H <> S+ 0 0 16 -3,-0.6 4,-2.6 -4,-0.4 5,-0.2 0.911 85.6 44.4 -60.6 -44.4 40.7 18.7 18.7 214 236 A S H > S+ 0 0 81 -4,-0.2 4,-3.0 2,-0.2 5,-0.3 0.918 114.3 51.7 -65.5 -40.1 38.3 21.8 19.0 215 237 A W H > S+ 0 0 44 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.943 111.9 46.2 -60.9 -47.2 37.3 20.5 22.6 216 238 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.962 115.2 46.9 -60.8 -50.4 41.0 20.3 23.6 217 239 A K H X S+ 0 0 123 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.915 115.6 44.0 -58.2 -46.7 41.8 23.7 22.1 218 240 A Q H X S+ 0 0 132 -4,-3.0 4,-1.4 2,-0.2 -1,-0.2 0.904 114.3 49.6 -68.0 -41.8 38.8 25.5 23.7 219 241 A T H < S+ 0 0 16 -4,-2.7 4,-0.4 -5,-0.3 3,-0.3 0.929 113.6 45.1 -64.8 -42.7 39.3 23.8 27.0 220 242 A I H >< S+ 0 0 34 -4,-2.7 3,-1.3 -5,-0.3 -2,-0.2 0.923 109.5 57.2 -67.0 -40.2 43.0 24.8 27.1 221 243 A A H 3< S+ 0 0 85 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.800 111.5 41.8 -62.6 -28.5 42.2 28.3 25.9 222 244 A S T 3< 0 0 91 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.362 360.0 360.0 -99.8 7.3 39.9 28.8 28.9 223 245 A N < 0 0 85 -3,-1.3 -2,-0.2 -4,-0.4 -1,-0.1 0.202 360.0 360.0-128.1 360.0 42.0 27.1 31.7