==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-APR-99 1QA0 . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.WHITLOW . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9164.0 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 . 70 31.4 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 . 17 7.6 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 . 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 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 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 7 A I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 118.4 3.1 14.6 23.7 2 8 A V B -A 171 0A 10 169,-2.6 169,-1.7 1,-0.2 123,-0.1 -0.816 360.0 -0.2 -99.2 125.3 0.9 14.5 20.5 3 9 A G S S+ 0 0 48 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.754 100.7 121.6 72.2 28.3 -0.9 11.2 19.7 4 10 A G - 0 0 34 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.181 56.0-112.8-102.2-163.8 0.3 9.3 22.7 5 11 A Y E -B 137 0B 110 132,-2.2 132,-3.0 -2,-0.1 2,-0.5 -0.893 35.7 -84.2-134.1 164.2 -1.6 7.5 25.5 6 12 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.557 37.0-150.6 -69.0 121.7 -2.0 8.0 29.2 7 13 A a - 0 0 14 128,-1.8 -1,-0.1 -2,-0.5 129,-0.1 0.891 33.6-119.9 -58.3 -52.3 1.0 6.2 30.7 8 14 A G > - 0 0 29 127,-0.4 3,-1.4 4,-0.0 4,-0.3 0.080 46.2 -51.5 111.8 146.5 -0.7 5.2 34.0 9 15 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.053 118.8 -12.5 -48.4 127.4 0.4 6.3 37.5 10 16 A N T 3 S+ 0 0 36 42,-0.2 -1,-0.3 1,-0.2 43,-0.1 0.697 89.7 127.4 47.3 36.1 4.0 5.6 38.2 11 17 A T S < S+ 0 0 93 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.593 77.1 47.0 -83.5 -24.1 4.7 3.4 35.2 12 18 A V S > S+ 0 0 8 -4,-0.3 3,-1.3 87,-0.1 -1,-0.3 -0.792 74.3 174.5-120.0 77.9 7.7 5.6 34.2 13 19 A P T 3 S+ 0 0 31 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.650 72.0 58.4 -69.4 -9.9 9.3 5.8 37.6 14 20 A Y T 3 S+ 0 0 23 86,-0.2 15,-2.0 88,-0.1 2,-0.3 0.480 79.0 112.1 -93.6 -12.8 12.4 7.7 36.3 15 21 A Q E < -J 28 0C 5 -3,-1.3 36,-0.5 13,-0.2 37,-0.4 -0.561 47.7-169.9 -69.7 127.1 10.4 10.6 34.9 16 22 A V E -JK 27 50C 1 11,-2.5 11,-1.3 -2,-0.3 2,-0.5 -0.839 15.6-145.2-117.6 146.8 10.9 13.9 36.8 17 23 A S E -JK 26 49C 1 32,-2.0 32,-2.6 -2,-0.3 2,-0.6 -0.969 14.3-143.7-111.1 128.4 8.9 17.2 36.5 18 24 A L E -JK 25 48C 0 7,-3.9 6,-2.4 -2,-0.5 7,-1.0 -0.870 23.7-168.3 -93.5 126.5 11.0 20.4 36.9 19 25 A N E +JK 23 47C 20 28,-3.3 28,-2.2 -2,-0.6 4,-0.2 -0.943 30.0 168.7-119.8 139.6 9.0 23.0 38.7 20 26 A S S S- 0 0 30 2,-2.5 3,-0.1 -2,-0.4 26,-0.1 -0.234 97.1 -45.9-139.2 44.6 9.6 26.7 39.3 21 27 A G S S+ 0 0 71 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.206 141.4 26.9 107.7 -8.4 6.1 27.6 40.6 22 28 A Y S S- 0 0 133 -4,-0.0 -2,-2.5 0, 0.0 2,-0.3 -0.936 103.2 -79.7-165.9 161.8 4.7 25.5 37.7 23 29 A H E +J 19 0C 34 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.581 52.0 157.1 -73.9 127.4 5.9 22.6 35.5 24 30 A F E + 0 0 33 -6,-2.4 2,-0.3 1,-0.4 151,-0.2 0.544 58.5 8.3-128.0 -16.8 8.3 23.8 32.8 25 31 A b E -J 18 0C 6 -7,-1.0 -7,-3.9 151,-0.1 -1,-0.4 -0.979 61.7-123.4-164.8 156.6 10.4 20.8 31.8 26 32 A G E +J 17 0C 1 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.486 28.8 178.8 -96.8 170.5 10.8 17.0 32.2 27 33 A G E -J 16 0C 0 -11,-1.3 -11,-2.5 -2,-0.2 2,-0.4 -0.947 22.7-120.5-163.3 171.9 14.0 15.3 33.4 28 34 A S E -JL 15 36C 2 8,-2.5 8,-2.8 -2,-0.3 2,-0.6 -0.992 18.6-129.8-128.1 132.9 15.3 11.8 34.2 29 35 A L E + L 0 35C 1 -15,-2.0 74,-2.5 -2,-0.4 6,-0.2 -0.759 26.4 174.1 -83.7 121.0 16.7 10.4 37.5 30 36 A I E - 0 0 21 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.607 68.6 -10.7-101.8 -17.2 20.0 8.8 36.9 31 37 A N E > S- L 0 34C 54 3,-1.3 3,-0.6 70,-0.1 -1,-0.3 -0.925 88.1 -78.5-164.8 176.2 20.8 8.0 40.5 32 38 A S T 3 S+ 0 0 37 -2,-0.3 62,-3.0 1,-0.2 60,-0.1 0.647 129.1 31.5 -61.2 -16.8 19.5 9.0 44.0 33 39 A Q T 3 S+ 0 0 83 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.532 110.0 67.2-114.7 -15.5 21.2 12.4 43.8 34 40 A W E < -LM 31 89C 8 -3,-0.6 -4,-2.2 55,-0.2 -3,-1.3 -0.959 47.2-169.6-125.9 141.0 21.2 13.4 40.1 35 41 A V E -LM 29 88C 0 53,-2.6 53,-2.6 -2,-0.4 2,-0.4 -0.934 12.5-149.7-122.4 136.3 18.9 14.3 37.3 36 42 A V E +LM 28 87C 1 -8,-2.8 -8,-2.5 -2,-0.3 51,-0.2 -0.948 32.3 146.0-105.5 143.9 19.7 14.7 33.6 37 43 A S E - M 0 86C 0 49,-2.6 49,-2.0 -2,-0.4 2,-0.3 -0.679 50.1 -63.5-153.0-167.0 17.6 17.2 31.5 38 44 A A > - 0 0 0 -12,-0.4 3,-1.1 47,-0.3 47,-0.3 -0.719 31.6-135.6 -93.3 144.1 18.0 19.7 28.6 39 45 A A G > S+ 0 0 4 -2,-0.3 3,-1.8 1,-0.2 -1,-0.1 0.833 106.5 64.1 -62.2 -35.8 20.4 22.7 28.8 40 46 A H G 3 S+ 0 0 64 1,-0.3 -1,-0.2 41,-0.1 137,-0.0 0.669 93.7 64.1 -65.6 -10.7 17.6 24.9 27.2 41 47 A b G < S+ 0 0 4 -3,-1.1 -1,-0.3 -15,-0.1 -2,-0.2 0.371 75.1 134.4 -89.2 -5.5 15.5 24.1 30.4 42 48 A Y < + 0 0 130 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.1 -0.240 22.7 148.5 -54.9 135.6 18.1 25.9 32.6 43 49 A K - 0 0 60 0, 0.0 3,-0.3 0, 0.0 2,-0.2 -0.970 46.4-106.8-163.1 156.3 16.6 28.2 35.2 44 50 A S S S+ 0 0 98 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.602 96.0 27.7 -89.5 149.0 17.4 29.5 38.6 45 51 A G S S+ 0 0 67 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.919 76.7 177.6 64.9 55.8 15.4 28.1 41.6 46 52 A I - 0 0 9 -3,-0.3 21,-2.0 -26,-0.1 2,-0.5 -0.667 18.2-160.1 -91.8 138.8 14.3 24.7 40.4 47 53 A Q E -KN 19 66C 53 -28,-2.2 -28,-3.3 -2,-0.3 2,-0.5 -0.984 16.2-140.3-116.3 126.7 12.3 22.2 42.5 48 54 A V E -KN 18 65C 0 17,-3.1 17,-3.0 -2,-0.5 2,-0.6 -0.809 12.3-158.1 -95.7 126.2 12.5 18.6 41.3 49 55 A R E -KN 17 64C 50 -32,-2.6 -32,-2.0 -2,-0.5 3,-0.3 -0.914 12.8-174.3-112.9 114.0 9.3 16.6 41.5 50 56 A L E +KN 16 63C 2 13,-3.2 13,-2.3 -2,-0.6 -34,-0.1 -0.740 59.9 22.1-107.4 156.7 9.6 12.9 41.7 51 57 A G S S+ 0 0 6 -36,-0.5 10,-0.2 -38,-0.3 2,-0.2 0.648 84.7 155.9 66.1 25.5 7.0 10.1 41.6 52 58 A E + 0 0 10 -37,-0.4 -1,-0.2 -3,-0.3 -42,-0.2 -0.537 23.5 156.6 -86.1 148.2 4.4 12.3 40.0 53 59 A D S S+ 0 0 14 1,-0.4 2,-0.7 4,-0.3 82,-0.3 0.435 79.4 31.1-124.4 -76.4 1.4 11.4 37.9 54 60 A N S > S- 0 0 34 3,-0.2 3,-1.0 80,-0.2 -1,-0.4 -0.790 71.5-159.0 -86.8 117.5 -1.2 14.2 38.0 55 61 A I T 3 S+ 0 0 30 78,-2.5 -1,-0.1 -2,-0.7 79,-0.1 0.523 88.1 54.2 -74.7 -4.4 1.0 17.4 38.4 56 62 A N T 3 S+ 0 0 118 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.400 104.7 55.5-108.2 -2.5 -2.0 19.3 39.8 57 63 A V S < S- 0 0 71 -3,-1.0 2,-0.8 76,-0.2 -4,-0.3 -0.999 77.3-125.4-134.0 140.2 -3.0 16.9 42.7 58 64 A V + 0 0 119 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.669 33.4 173.3 -83.7 112.0 -1.0 15.5 45.6 59 65 A E - 0 0 98 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.591 49.6-103.5 -99.4 -9.8 -1.6 11.7 45.1 60 66 A G S S+ 0 0 58 2,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.022 102.0 77.2 111.9 -27.8 0.7 10.4 47.8 61 67 A N + 0 0 54 -10,-0.2 2,-0.2 2,-0.0 38,-0.1 0.296 66.2 120.0 -99.9 11.6 3.9 9.1 46.1 62 68 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.476 42.0-165.1 -84.0 149.9 5.6 12.4 45.4 63 69 A Q E -N 50 0C 34 -13,-2.3 -13,-3.2 -2,-0.2 2,-0.6 -0.996 8.5-160.9-123.9 119.6 9.0 13.6 46.6 64 70 A F E +N 49 0C 79 -2,-0.4 2,-0.5 -15,-0.2 -15,-0.2 -0.962 17.5 175.4-106.3 117.2 9.6 17.3 46.2 65 71 A I E -N 48 0C 13 -17,-3.0 -17,-3.1 -2,-0.6 2,-0.1 -0.971 26.3-129.5-128.8 129.2 13.4 18.1 46.3 66 72 A S E -N 47 0C 63 -2,-0.5 25,-3.2 -19,-0.2 26,-0.3 -0.353 28.1-115.9 -68.7 148.8 15.2 21.4 45.8 67 73 A A E -O 90 0C 28 -21,-2.0 23,-0.3 23,-0.2 3,-0.1 -0.619 23.6-172.0 -84.5 137.6 18.1 21.5 43.4 68 74 A S E S+ 0 0 68 21,-3.3 2,-0.3 1,-0.4 22,-0.2 0.761 70.2 10.5 -95.8 -35.6 21.5 22.3 44.9 69 75 A K E -O 89 0C 97 20,-1.1 20,-2.9 2,-0.0 -1,-0.4 -0.975 58.0-159.2-149.4 142.1 23.6 22.7 41.7 70 76 A S E -O 88 0C 44 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.992 8.0-169.7-129.0 132.7 22.9 23.0 38.0 71 77 A I E -O 87 0C 36 16,-2.8 16,-2.1 -2,-0.4 2,-0.3 -0.925 4.9-161.8-125.9 103.4 25.5 22.3 35.4 72 78 A V E -O 86 0C 49 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.619 42.7 -91.0 -81.7 147.0 24.9 23.1 31.7 73 79 A H > - 0 0 23 12,-2.0 3,-2.0 -2,-0.3 -1,-0.1 -0.243 34.7-122.7 -56.7 133.9 27.3 21.3 29.3 74 80 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.715 109.5 43.6 -51.9 -26.7 30.4 23.4 28.7 75 81 A S T 3 S+ 0 0 72 8,-0.1 -2,-0.1 2,-0.0 9,-0.1 0.239 77.7 142.1-110.4 19.6 29.7 23.5 24.9 76 82 A Y < - 0 0 56 -3,-2.0 2,-0.5 7,-0.1 7,-0.2 -0.251 34.5-160.8 -60.1 130.5 26.0 24.1 24.9 77 83 A N B >>> -P 82 0D 71 5,-2.2 4,-2.7 1,-0.1 3,-0.7 -0.906 7.5-162.9-120.4 104.1 25.0 26.5 22.0 78 84 A S T 345S+ 0 0 75 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.684 87.7 56.2 -61.0 -20.8 21.7 28.1 22.7 79 85 A N T 345S+ 0 0 147 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 0.866 121.8 21.5 -80.4 -35.9 21.4 29.1 19.0 80 86 A T T <45S- 0 0 73 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.1 0.569 96.3-128.0-106.1 -16.2 21.8 25.7 17.4 81 87 A L T ><5 + 0 0 30 -4,-2.7 3,-0.9 1,-0.3 -3,-0.2 0.564 52.0 159.4 73.4 14.1 20.8 23.6 20.4 82 88 A N B 3 < +P 77 0D 37 -5,-0.5 -5,-2.2 1,-0.3 -1,-0.3 -0.426 66.8 14.6 -67.2 133.0 24.0 21.6 19.9 83 89 A N T 3 S+ 0 0 17 -7,-0.2 2,-1.9 1,-0.2 -10,-0.3 0.855 78.4 177.6 66.2 48.1 24.9 19.9 23.2 84 90 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.510 35.1 111.8 -83.7 79.7 21.5 20.4 24.8 85 91 A I + 0 0 0 -2,-1.9 -12,-2.0 -47,-0.3 2,-0.3 -0.992 36.5 176.7-149.7 141.7 22.1 18.5 28.1 86 92 A M E -MO 37 72C 0 -49,-2.0 -49,-2.6 -2,-0.3 2,-0.4 -0.979 20.1-135.1-147.6 154.6 22.4 19.6 31.8 87 93 A L E -MO 36 71C 0 -16,-2.1 -16,-2.8 -2,-0.3 2,-0.4 -0.928 13.3-161.2-116.8 134.5 22.8 17.9 35.1 88 94 A I E -MO 35 70C 0 -53,-2.6 -53,-2.6 -2,-0.4 2,-0.5 -0.988 5.1-153.5-122.8 120.5 20.9 18.7 38.3 89 95 A K E -MO 34 69C 33 -20,-2.9 -21,-3.3 -2,-0.4 -20,-1.1 -0.882 18.4-129.5 -97.0 134.6 22.0 17.7 41.7 90 96 A L E - O 0 67C 1 -57,-3.0 -23,-0.2 -2,-0.5 -24,-0.1 -0.542 11.9-129.0 -82.8 142.6 19.4 17.2 44.5 91 97 A K S S+ 0 0 75 -25,-3.2 2,-0.3 -2,-0.2 -24,-0.1 0.854 96.4 9.3 -56.0 -38.1 19.7 18.9 47.8 92 98 A S S S- 0 0 71 -26,-0.3 -1,-0.1 -60,-0.1 -24,-0.0 -0.952 98.2 -85.8-143.6 154.3 19.1 15.5 49.5 93 99 A A - 0 0 51 -2,-0.3 -60,-0.2 1,-0.1 2,-0.2 -0.287 41.3-122.3 -63.9 141.7 19.0 12.0 48.1 94 100 A A - 0 0 7 -62,-3.0 2,-0.7 -63,-0.1 -1,-0.1 -0.528 24.0-116.6 -78.0 152.2 15.7 10.8 46.7 95 101 A S - 0 0 75 -2,-0.2 2,-0.3 6,-0.0 5,-0.1 -0.862 29.0-143.9 -91.3 117.2 14.2 7.6 48.3 96 102 A L + 0 0 85 -2,-0.7 2,-0.2 3,-0.1 5,-0.2 -0.641 39.2 139.8 -81.3 140.3 14.1 4.9 45.5 97 103 A N - 0 0 59 3,-2.7 3,-0.1 -2,-0.3 -1,-0.0 -0.739 69.5 -58.5-155.7-159.4 11.0 2.6 45.8 98 104 A S S S+ 0 0 96 -2,-0.2 3,-0.1 1,-0.2 -2,-0.1 0.756 134.9 35.1 -69.5 -27.5 8.6 1.1 43.4 99 105 A R S S+ 0 0 77 1,-0.2 2,-0.5 -38,-0.1 -48,-0.2 0.536 116.2 53.3-100.3 -20.4 7.4 4.5 42.0 100 106 A V S S+ 0 0 1 -50,-0.1 -3,-2.7 -49,-0.1 2,-0.3 -0.987 72.1 147.2-122.4 108.5 10.7 6.4 42.1 101 107 A A - 0 0 28 -88,-1.6 -72,-0.3 -2,-0.5 2,-0.2 -0.955 41.3-113.0-144.0 160.0 13.5 4.7 40.3 102 108 A S - 0 0 56 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.3 -0.521 19.8-136.2 -97.3 160.9 16.6 5.6 38.3 103 109 A I - 0 0 14 -74,-2.5 2,-0.2 -2,-0.2 83,-0.1 -0.924 25.0-121.3-111.0 140.8 17.3 4.9 34.6 104 110 A S B -c 186 0B 56 81,-0.7 83,-2.5 -2,-0.4 -73,-0.1 -0.549 21.3-114.0 -86.3 158.4 20.7 3.6 33.5 105 111 A L - 0 0 30 81,-0.2 83,-0.1 -2,-0.2 -1,-0.1 -0.458 39.4 -99.1 -82.7 149.1 23.0 5.3 31.0 106 112 A P - 0 0 5 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.339 17.2-158.1 -71.0 148.9 23.7 3.6 27.7 107 113 A T S S+ 0 0 134 1,-0.4 2,-0.3 -2,-0.1 -2,-0.0 0.516 84.1 7.5 -98.3 -14.9 26.9 1.5 27.1 108 114 A S S S- 0 0 82 0, 0.0 -1,-0.4 0, 0.0 2,-0.1 -0.949 90.4 -86.1-157.6 164.3 26.5 2.1 23.4 109 115 A c - 0 0 67 -2,-0.3 2,-0.3 -3,-0.1 79,-0.0 -0.375 40.5-118.3 -77.5 142.2 24.3 4.1 20.9 110 116 A A - 0 0 31 -2,-0.1 2,-0.2 78,-0.1 3,-0.1 -0.683 28.4-127.5 -83.7 147.4 21.0 2.8 19.6 111 117 A S > - 0 0 83 -2,-0.3 3,-2.0 1,-0.2 31,-0.3 -0.502 33.8 -82.4 -93.8 158.6 20.6 2.1 15.9 112 118 A A T 3 S+ 0 0 57 1,-0.3 31,-0.2 -2,-0.2 -1,-0.2 -0.206 116.3 38.6 -53.2 147.7 17.9 3.4 13.6 113 119 A G T 3 S+ 0 0 53 29,-3.0 -1,-0.3 1,-0.3 2,-0.2 0.169 81.9 134.4 91.3 -15.9 14.7 1.3 13.7 114 120 A T < - 0 0 32 -3,-2.0 28,-1.8 27,-0.1 -1,-0.3 -0.408 57.2-125.1 -68.3 132.7 15.0 0.8 17.5 115 121 A Q E -D 141 0B 91 26,-0.2 69,-0.5 -2,-0.2 2,-0.3 -0.620 33.7-175.2 -79.4 135.5 11.7 1.4 19.3 116 122 A d E -D 140 0B 2 24,-3.0 24,-2.9 -2,-0.3 2,-0.5 -0.868 24.5-128.9-130.3 162.7 11.8 3.9 22.1 117 123 A L E -DE 139 182B 36 65,-2.3 65,-2.5 -2,-0.3 2,-0.4 -0.962 22.1-171.5-112.7 122.7 9.4 5.3 24.8 118 124 A I E -DE 138 181B 0 20,-2.7 20,-1.8 -2,-0.5 2,-0.3 -0.948 11.1-177.0-114.4 132.7 9.1 9.1 25.0 119 125 A S E +D 137 0B 0 61,-1.2 2,-0.3 -2,-0.4 18,-0.2 -0.962 13.0 119.3-136.7 155.2 7.2 10.6 28.0 120 126 A G E -D 136 0B 2 16,-2.0 16,-2.4 -2,-0.3 56,-0.2 -0.967 58.2-104.5 169.0 174.7 6.0 14.0 29.3 121 127 A W S S+ 0 0 3 54,-0.6 55,-0.2 -2,-0.3 3,-0.1 0.048 72.6 126.7-108.1 23.5 3.4 16.6 30.4 122 128 A G - 0 0 0 1,-0.2 53,-0.3 51,-0.1 52,-0.1 -0.038 69.5 -52.9 -83.7 180.0 3.7 18.7 27.3 123 129 A N - 0 0 9 51,-3.1 8,-0.2 8,-0.2 -1,-0.2 -0.223 39.1-162.2 -50.9 137.8 1.1 20.0 24.8 124 130 A T + 0 0 34 6,-2.6 -121,-0.5 -3,-0.1 2,-0.4 0.369 61.5 93.3-102.8 -0.9 -1.1 17.2 23.3 125 131 A K - 0 0 104 5,-0.3 3,-0.4 1,-0.2 5,-0.1 -0.793 62.2-151.8-102.1 136.1 -2.2 19.3 20.3 126 132 A S S S- 0 0 51 -2,-0.4 2,-0.5 1,-0.3 71,-0.3 0.996 99.3 -0.5 -60.5 -68.7 -0.7 19.3 16.9 127 133 A S S S+ 0 0 127 69,-0.1 -1,-0.3 71,-0.1 2,-0.3 -0.860 127.9 51.8-129.0 98.1 -1.8 22.9 16.2 128 134 A G S S- 0 0 37 -2,-0.5 2,-0.4 -3,-0.4 -3,-0.2 -0.837 85.6 -96.4 164.2-175.2 -3.8 24.1 19.3 129 135 A T + 0 0 114 -2,-0.3 2,-0.3 -5,-0.1 -3,-0.1 -0.975 47.2 148.5-137.6 118.3 -2.9 24.2 23.0 130 136 A S - 0 0 49 -2,-0.4 -6,-2.6 -5,-0.1 -5,-0.3 -0.880 24.4-161.1-147.6 108.9 -4.0 21.5 25.4 131 137 A Y - 0 0 111 -2,-0.3 -8,-0.2 -8,-0.2 -9,-0.1 -0.809 11.4-143.5 -98.0 128.9 -1.9 20.6 28.4 132 138 A P - 0 0 16 0, 0.0 4,-0.1 0, 0.0 -77,-0.0 -0.418 7.7-152.3 -81.4 162.6 -2.5 17.3 30.2 133 139 A D S S+ 0 0 70 -2,-0.1 -78,-2.5 2,-0.1 2,-0.3 0.605 79.8 67.2-104.8 -21.5 -2.2 17.0 33.9 134 140 A V S S- 0 0 40 -80,-0.2 -80,-0.2 -79,-0.1 2,-0.1 -0.751 98.4 -92.3-102.7 152.6 -1.2 13.3 33.6 135 141 A L - 0 0 5 -2,-0.3 -128,-1.8 -82,-0.3 -127,-0.4 -0.433 40.7-154.0 -66.8 129.8 1.9 11.8 32.2 136 142 A K E -BD 6 120B 44 -16,-2.4 -16,-2.0 -130,-0.2 2,-0.3 -0.805 7.3-155.0-107.5 148.1 1.5 11.0 28.5 137 143 A a E -BD 5 119B 1 -132,-3.0 -132,-2.2 -2,-0.3 2,-0.3 -0.866 9.8-172.4-125.8 155.9 3.5 8.2 26.7 138 144 A L E - D 0 118B 3 -20,-1.8 -20,-2.7 -2,-0.3 2,-0.5 -0.931 15.8-148.6-154.2 122.4 4.6 7.5 23.1 139 145 A K E + D 0 117B 116 -2,-0.3 -22,-0.2 -22,-0.2 -24,-0.0 -0.817 34.9 161.4 -90.3 126.3 6.3 4.6 21.5 140 146 A A E - D 0 116B 0 -24,-2.9 -24,-3.0 -2,-0.5 2,-0.2 -0.997 33.5-121.4-147.8 146.7 8.5 5.8 18.6 141 147 A P E - D 0 115B 26 0, 0.0 23,-1.9 0, 0.0 2,-0.3 -0.526 29.7-110.0 -89.9 152.6 11.4 4.5 16.4 142 148 A I B -F 163 0B 12 -28,-1.8 -29,-3.0 -31,-0.3 21,-0.3 -0.718 42.7-137.4 -73.5 134.9 14.8 6.1 16.0 143 149 A L - 0 0 27 19,-2.8 19,-0.3 -2,-0.3 -29,-0.1 -0.482 24.8 -85.9 -92.9 166.1 14.8 7.4 12.4 144 150 A S > - 0 0 47 -2,-0.2 4,-1.9 1,-0.1 3,-0.2 -0.377 32.6-121.3 -70.8 149.4 17.7 7.1 10.0 145 151 A D H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.902 112.3 54.1 -53.2 -46.8 20.4 9.8 10.1 146 152 A S H > S+ 0 0 86 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.831 107.3 47.8 -62.4 -40.8 19.7 10.6 6.4 147 153 A S H > S+ 0 0 26 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.846 112.2 52.0 -72.1 -27.6 15.9 11.1 6.9 148 154 A e H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.963 112.6 43.2 -66.6 -48.2 16.7 13.4 9.9 149 155 A K H < S+ 0 0 104 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.744 109.7 58.5 -70.2 -27.3 19.2 15.6 8.0 150 156 A S H < S+ 0 0 93 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.916 107.8 46.5 -71.2 -36.7 16.8 15.7 5.0 151 157 A A H < S+ 0 0 13 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.777 126.7 28.1 -73.1 -33.8 14.1 17.2 7.3 152 158 A Y S >X S- 0 0 6 -4,-1.5 3,-2.1 -5,-0.1 4,-0.8 -0.635 84.0-156.1-131.7 73.0 16.5 19.8 8.8 153 159 A P T 34 S- 0 0 102 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.269 77.4 -1.9 -58.7 128.6 19.3 20.6 6.3 154 160 A G T 34 S+ 0 0 90 -5,-0.1 -5,-0.1 2,-0.1 -4,-0.1 0.432 116.2 87.2 68.7 8.3 22.5 21.9 7.9 155 161 A Q T <4 + 0 0 106 -3,-2.1 2,-0.5 -6,-0.2 -1,-0.1 0.539 61.9 89.9-106.5 -19.8 20.9 21.8 11.4 156 162 A I < - 0 0 21 -4,-0.8 2,-0.2 -7,-0.1 -2,-0.1 -0.778 53.6-173.0 -87.8 124.4 21.7 18.2 12.6 157 163 A T > - 0 0 41 -2,-0.5 3,-1.5 4,-0.0 -2,-0.0 -0.611 43.4 -98.8-103.0 175.5 24.9 17.5 14.4 158 164 A S T 3 S+ 0 0 86 1,-0.3 53,-0.1 -2,-0.2 -2,-0.0 0.594 120.8 65.1 -72.6 -6.1 26.4 14.2 15.5 159 165 A N T 3 S+ 0 0 26 48,-0.1 49,-2.2 51,-0.0 2,-0.3 0.110 96.5 66.2-100.9 11.6 25.0 14.9 18.9 160 166 A M E < - G 0 207B 4 -3,-1.5 2,-0.3 47,-0.3 47,-0.2 -0.957 54.5-175.5-132.9 152.9 21.4 14.7 17.8 161 167 A F E - G 0 206B 10 45,-1.9 45,-3.2 -2,-0.3 2,-0.3 -0.967 21.3-128.4-142.8 154.4 19.0 12.1 16.4 162 168 A e E + G 0 205B 0 -19,-0.3 -19,-2.8 -2,-0.3 2,-0.3 -0.841 24.7 179.3-103.6 150.7 15.5 12.1 15.1 163 169 A A E +FG 142 204B 0 41,-1.3 41,-0.9 -2,-0.3 2,-0.3 -0.984 37.9 51.5-148.8 144.2 12.7 9.8 16.4 164 170 A G S S- 0 0 3 -23,-1.9 2,-0.4 -2,-0.3 7,-0.1 -0.977 85.7 -42.1 134.6-147.8 9.0 9.6 15.4 165 171 A Y > - 0 0 46 5,-0.7 3,-1.7 -2,-0.3 37,-0.3 -0.987 26.9-151.2-127.2 127.6 7.0 9.3 12.2 166 172 A L T 3 S+ 0 0 51 -2,-0.4 35,-2.9 1,-0.3 36,-0.1 0.759 99.6 63.9 -69.5 -20.3 7.6 11.1 9.0 167 173 A E T 3 S- 0 0 132 1,-0.3 -1,-0.3 33,-0.2 33,-0.2 0.593 104.3-141.1 -76.9 -10.3 3.8 10.9 8.3 168 174 A G < + 0 0 7 -3,-1.7 -1,-0.3 31,-0.3 31,-0.2 -0.383 65.8 107.6 84.6-167.1 3.2 13.1 11.3 169 175 A G S S+ 0 0 46 29,-2.9 2,-0.4 -2,-0.1 30,-0.1 0.142 78.4 62.1 78.2 -15.4 0.5 12.8 13.9 170 176 A K + 0 0 61 -5,-0.2 -5,-0.7 29,-0.1 2,-0.3 -0.972 65.6 112.1-144.7 122.4 2.6 11.5 16.8 171 177 A D B -A 2 0A 4 -169,-1.7 -169,-2.6 -2,-0.4 2,-0.1 -0.964 61.6 -86.3-169.1 177.6 5.6 13.4 18.4 172 178 A S + 0 0 8 -2,-0.3 26,-0.3 -171,-0.2 2,-0.3 -0.438 48.5 179.7 -91.4 173.7 6.9 15.2 21.5 173 179 A f > - 0 0 9 -2,-0.1 3,-2.1 24,-0.1 4,-0.2 -0.896 37.7 -35.6-160.5-178.5 6.0 18.9 21.9 174 180 A Q T 3 S+ 0 0 116 -2,-0.3 -51,-3.1 1,-0.3 -149,-0.1 -0.288 123.1 33.0 -49.3 130.3 6.4 22.0 24.1 175 181 A G T 3 S+ 0 0 16 -53,-0.3 -54,-0.6 -151,-0.2 -1,-0.3 0.166 102.2 79.4 103.9 -20.6 6.4 21.1 27.8 176 182 A D X + 0 0 1 -3,-2.1 3,-1.8 -55,-0.2 15,-0.3 0.489 63.2 130.3 -93.4 -8.8 8.1 17.7 27.1 177 183 A S T 3 S+ 0 0 21 1,-0.2 -151,-3.3 -4,-0.2 15,-0.2 -0.159 70.7 21.4 -51.3 138.1 11.6 19.3 26.8 178 184 A G T 3 S+ 0 0 1 13,-2.4 -1,-0.2 1,-0.3 -150,-0.1 0.245 96.3 134.2 85.6 -1.7 14.3 17.7 28.9 179 185 A G < - 0 0 0 -3,-1.8 12,-2.4 1,-0.1 -1,-0.3 -0.207 57.7 -90.0 -72.3 162.0 12.2 14.4 29.1 180 186 A P E - H 0 190B 0 0, 0.0 -61,-1.2 0, 0.0 2,-0.4 -0.432 20.9-164.7 -87.1 148.8 13.5 10.9 28.5 181 187 A V E -EH 118 189B 0 8,-1.5 7,-2.5 -63,-0.2 8,-2.1 -0.981 22.7-168.3-125.4 104.1 13.8 8.8 25.4 182 188 A V E +EH 117 187B 16 -65,-2.5 -65,-2.3 -2,-0.4 2,-0.4 -0.937 10.6 179.4-109.6 125.4 14.3 5.2 26.6 183 189 A d E > S- H 0 186B 2 3,-1.8 3,-1.5 -2,-0.5 -67,-0.2 -0.992 73.2 -14.9-128.7 121.2 15.3 2.4 24.2 184 190 A S T 3 S- 0 0 109 -69,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.796 128.4 -52.2 47.5 46.1 15.9 -1.1 25.5 185 191 A G T 3 S+ 0 0 44 1,-0.2 -81,-0.7 -79,-0.0 2,-0.3 0.394 116.8 100.8 74.0 19.3 16.1 0.0 29.2 186 192 A K E < S-cH 104 183B 64 -3,-1.5 -3,-1.8 -83,-0.1 2,-0.9 -0.943 80.4-108.9-129.7 149.0 18.7 2.8 28.7 187 193 A L E + H 0 182B 0 -83,-2.5 -5,-0.2 -2,-0.3 3,-0.1 -0.664 45.3 163.5 -74.1 105.6 18.4 6.6 28.4 188 194 A Q E + 0 0 14 -7,-2.5 21,-1.5 -2,-0.9 22,-0.5 0.743 55.9 14.7 -97.7 -25.2 19.2 7.2 24.7 189 195 A G E -IH 208 181B 0 -8,-2.1 -8,-1.5 19,-0.2 2,-0.4 -0.893 52.2-140.6-148.8 170.4 17.8 10.7 24.3 190 196 A I E -IH 207 180B 3 17,-1.0 17,-2.1 -2,-0.3 2,-0.3 -0.997 40.2-106.6-129.4 132.4 16.5 13.9 25.8 191 197 A V E +I 206 0B 4 -12,-2.4 -13,-2.4 -2,-0.4 15,-0.2 -0.350 56.2 153.0 -61.6 117.6 13.6 15.9 24.3 192 198 A S E - 0 0 4 13,-1.6 2,-0.3 1,-0.4 14,-0.2 0.808 45.0 -40.9-115.5 -64.0 15.3 18.9 22.7 193 199 A W E +I 205 0B 46 12,-2.0 12,-3.0 -19,-0.0 -1,-0.4 -0.925 43.8 163.6-156.6-175.2 13.6 20.6 19.7 194 200 A G - 0 0 31 -2,-0.3 2,-0.7 10,-0.2 10,-0.1 -0.961 48.1 -80.0 172.4-171.9 11.7 20.3 16.5 195 201 A S S S- 0 0 59 8,-0.3 4,-0.4 7,-0.3 2,-0.1 -0.889 91.5 -46.9-116.2 95.6 9.6 22.3 14.0 196 202 A G S S- 0 0 50 -2,-0.7 2,-0.4 2,-0.1 -69,-0.1 -0.405 89.4 -74.4 71.8-161.8 6.0 22.5 15.4 197 203 A f S S- 0 0 6 -71,-0.3 -24,-0.1 -3,-0.1 -28,-0.1 -0.988 99.6 -4.6-142.2 130.7 4.8 19.2 16.7 198 204 A A S S+ 0 0 7 -2,-0.4 -29,-2.9 -26,-0.3 2,-0.2 0.583 84.1 151.7 65.0 20.8 3.5 16.1 14.8 199 205 A Q > - 0 0 88 3,-0.5 3,-1.6 -4,-0.4 -31,-0.3 -0.448 56.3 -92.3 -77.8 149.5 3.8 17.8 11.4 200 206 A K T 3 S+ 0 0 151 1,-0.3 -33,-0.2 -33,-0.2 -34,-0.1 -0.411 107.8 4.5 -67.0 136.9 4.5 15.6 8.4 201 207 A N T 3 S+ 0 0 81 -35,-2.9 -1,-0.3 -36,-0.2 -35,-0.1 0.607 109.8 97.1 62.6 19.8 8.2 15.2 7.6 202 208 A K < + 0 0 71 -3,-1.6 -3,-0.5 -37,-0.3 -7,-0.3 -0.619 54.6 174.9-134.5 74.8 9.2 17.2 10.7 203 209 A P - 0 0 2 0, 0.0 -8,-0.3 0, 0.0 -39,-0.2 -0.160 37.7 -79.7 -79.4 168.9 10.0 14.8 13.5 204 210 A G E -G 163 0B 2 -41,-0.9 -41,-1.3 -10,-0.1 2,-0.4 -0.273 37.4-138.5 -66.3 150.3 11.3 15.4 16.9 205 211 A V E -GI 162 193B 1 -12,-3.0 -12,-2.0 -43,-0.2 -13,-1.6 -0.968 21.4-168.3-116.5 130.4 15.0 16.1 17.5 206 212 A Y E -GI 161 191B 1 -45,-3.2 -45,-1.9 -2,-0.4 2,-0.3 -0.918 27.8-111.2-124.3 148.3 16.8 14.5 20.6 207 213 A T E -GI 160 190B 2 -17,-2.1 2,-1.2 -2,-0.3 -17,-1.0 -0.626 36.9-124.5 -75.4 134.4 20.1 15.0 22.3 208 214 A K E > - I 0 189B 44 -49,-2.2 3,-1.7 -2,-0.3 -19,-0.2 -0.740 26.1-170.4 -91.0 91.1 22.1 11.8 21.7 209 215 A V G > S+ 0 0 0 -21,-1.5 3,-2.3 -2,-1.2 4,-0.4 0.722 75.3 72.4 -50.3 -37.1 22.9 10.7 25.3 210 216 A c G 3 S+ 0 0 23 -22,-0.5 3,-0.5 1,-0.3 -1,-0.3 0.715 92.4 59.7 -58.3 -23.7 25.4 8.0 24.3 211 217 A N G < S+ 0 0 68 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.593 106.9 46.3 -77.5 -11.1 27.9 10.8 23.3 212 218 A Y S <> S+ 0 0 7 -3,-2.3 4,-3.0 -4,-0.2 5,-0.2 0.317 72.7 105.7-118.2 4.8 27.9 12.3 26.8 213 219 A V H > S+ 0 0 23 -3,-0.5 4,-2.9 -4,-0.4 5,-0.2 0.863 84.9 48.5 -57.1 -41.4 28.3 9.3 29.2 214 220 A S H > S+ 0 0 78 -4,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.918 113.6 46.5 -62.5 -47.6 32.0 10.1 30.0 215 221 A W H > S+ 0 0 49 2,-0.2 4,-2.6 -4,-0.2 -2,-0.2 0.924 114.7 48.5 -58.3 -47.4 31.1 13.8 30.7 216 222 A I H X S+ 0 0 1 -4,-3.0 4,-2.5 1,-0.2 5,-0.3 0.974 114.1 44.5 -61.9 -49.8 28.1 12.7 32.8 217 223 A K H X S+ 0 0 127 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.878 116.3 46.1 -63.7 -41.5 30.1 10.2 34.9 218 224 A Q H X S+ 0 0 125 -4,-2.8 4,-1.1 -5,-0.2 -1,-0.2 0.867 113.4 49.2 -69.9 -35.7 33.1 12.5 35.4 219 225 A T H < S+ 0 0 19 -4,-2.6 3,-0.3 2,-0.2 -2,-0.2 0.910 111.9 47.3 -65.6 -47.7 30.9 15.4 36.3 220 226 A I H >< S+ 0 0 29 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.841 108.9 54.8 -61.1 -42.3 28.8 13.6 38.9 221 227 A A H 3< S+ 0 0 83 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.767 112.2 44.5 -66.7 -26.3 31.9 12.0 40.5 222 228 A S T 3< 0 0 96 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.271 360.0 360.0-104.5 9.4 33.4 15.5 41.0 223 229 A N < 0 0 75 -3,-1.0 -2,-0.2 -4,-0.2 -1,-0.2 0.297 360.0 360.0-132.2 360.0 30.4 17.4 42.3