==== 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 SERINE PROTEASE 10-OCT-97 1XUK . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ,J.M.CLARK,J.S.FINER-MOORE,T.E.JENKINS,C.R.JOHNSON,M . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9154.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 61.4 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 31.8 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 . 4 1.8 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 . 14 6.3 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 . 15 6.7 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 . 4 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 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 134.2 35.5 20.7 19.1 2 17 A V B +A 171 0A 9 169,-3.0 169,-2.0 1,-0.2 123,-0.1 -0.909 360.0 5.1-105.6 132.4 37.7 19.8 16.1 3 18 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.759 102.3 120.0 68.8 33.0 39.4 22.7 14.3 4 19 A G - 0 0 35 -3,-0.3 2,-0.3 134,-0.1 134,-0.2 -0.166 57.1-112.8-108.0-159.6 38.3 25.4 16.8 5 20 A Y E -B 137 0B 101 132,-2.3 132,-2.9 -2,-0.1 2,-0.5 -0.892 36.8 -87.7-136.3 162.6 40.1 27.9 19.0 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.640 36.6-145.5 -69.1 121.0 40.4 28.3 22.8 7 22 A a - 0 0 17 128,-2.2 -1,-0.2 -2,-0.5 129,-0.1 0.921 35.8-114.6 -56.0 -41.7 37.4 30.5 23.9 8 23 A G > - 0 0 26 127,-0.5 3,-2.1 -3,-0.1 4,-0.3 -0.020 48.7 -56.0 102.7 133.9 39.1 32.4 26.7 9 24 A A T 3 S- 0 0 48 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.209 118.3 -12.8 -54.5 119.4 38.2 32.0 30.3 10 25 A N T 3 S+ 0 0 22 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.636 90.1 127.2 61.8 28.3 34.5 32.7 30.9 11 26 A T S < S+ 0 0 84 -3,-2.1 -2,-0.1 1,-0.2 -1,-0.1 0.558 75.5 49.7 -83.4 -5.1 33.9 34.3 27.5 12 27 A V S > S+ 0 0 6 -4,-0.3 3,-2.0 87,-0.1 -1,-0.2 -0.653 74.9 176.2-126.5 75.0 30.9 31.9 27.0 13 28 A P T 3 S+ 0 0 29 0, 0.0 88,-0.9 0, 0.0 38,-0.3 0.651 71.2 57.1 -71.4 -14.5 29.1 32.5 30.4 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.8 88,-0.1 2,-0.3 0.485 79.7 110.9 -89.6 -6.9 26.1 30.3 29.8 15 30 A Q E < -J 28 0C 7 -3,-2.0 36,-0.5 13,-0.2 37,-0.4 -0.560 47.3-172.7 -72.1 126.9 28.2 27.1 29.1 16 31 A V E -J 27 0C 0 11,-2.8 11,-0.9 -2,-0.3 2,-0.4 -0.813 18.0-139.4-115.9 163.0 27.8 24.4 31.8 17 32 A S E -JK 26 49C 0 32,-2.4 32,-3.1 -2,-0.3 2,-0.6 -0.976 14.2-142.6-114.7 132.2 29.7 21.1 32.3 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.7 -2,-0.4 7,-1.0 -0.907 25.2-171.6 -96.1 122.4 27.6 18.1 33.4 19 34 A N E +JK 23 47C 22 28,-2.7 28,-2.5 -2,-0.6 4,-0.2 -0.954 30.3 167.8-119.8 127.2 29.7 16.0 35.8 20 37 A S S S- 0 0 36 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.339 97.1 -45.4-122.1 48.7 29.0 12.6 37.3 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.113 140.9 28.7 107.7 -17.8 32.6 12.1 38.7 22 39 A Y S S- 0 0 129 -4,-0.0 -2,-2.1 0, 0.0 2,-0.3 -0.952 102.6 -83.4-164.0 156.0 34.0 13.3 35.4 23 40 A H E +J 19 0C 34 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.576 51.2 159.8 -64.5 126.1 32.8 15.7 32.6 24 41 A F E + 0 0 32 -6,-2.7 2,-0.3 1,-0.4 151,-0.2 0.577 56.8 3.0-126.1 -11.9 30.5 13.8 30.3 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.4 -0.973 62.5-118.1-166.0 159.8 28.3 16.4 28.4 26 43 A G E +J 17 0C 1 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.406 28.1 177.1 -92.7 179.3 27.8 20.1 27.9 27 44 A G E -J 16 0C 0 -11,-0.9 -11,-2.8 -2,-0.2 2,-0.4 -0.949 24.0-118.3-172.4 169.8 24.6 22.1 28.6 28 45 A S E -JL 15 36C 0 8,-2.2 8,-2.7 -2,-0.3 2,-0.6 -0.988 19.9-127.4-127.0 134.9 23.4 25.7 28.5 29 46 A L E + L 0 35C 1 -15,-2.8 74,-2.3 -2,-0.4 6,-0.2 -0.655 28.2 174.6 -80.2 117.2 22.2 27.8 31.4 30 47 A I E - 0 0 16 4,-2.0 2,-0.3 -2,-0.6 5,-0.2 0.689 67.6 -12.6-101.6 -17.2 18.7 29.3 30.5 31 48 A N E > S- L 0 34C 49 3,-1.3 3,-0.7 70,-0.1 -1,-0.3 -0.930 90.7 -75.7-160.2-176.4 17.8 30.9 33.8 32 49 A S T 3 S+ 0 0 43 -2,-0.3 62,-3.4 1,-0.2 60,-0.1 0.648 128.7 27.8 -67.2 -9.7 19.2 30.8 37.4 33 50 A Q T 3 S+ 0 0 60 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.431 109.2 69.7-126.0 -1.0 17.7 27.4 38.1 34 51 A W E < -LM 31 89C 6 -3,-0.7 -4,-2.0 55,-0.2 -3,-1.3 -0.969 48.4-171.4-128.8 142.1 17.4 25.5 34.8 35 52 A V E -LM 29 88C 0 53,-2.3 53,-2.5 -2,-0.4 2,-0.4 -0.944 13.1-149.2-120.5 140.7 19.9 24.0 32.3 36 53 A V E +LM 28 87C 0 -8,-2.7 -8,-2.2 -2,-0.3 2,-0.2 -0.907 31.2 150.1-107.7 140.1 18.9 22.7 28.8 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.4 -2,-0.4 2,-0.3 -0.830 50.0 -66.2-144.7-165.4 21.1 19.7 27.4 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.716 33.4-133.6 -89.5 139.4 20.6 16.7 25.1 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-2.3 1,-0.3 -1,-0.1 0.885 107.2 63.8 -60.6 -32.2 18.3 13.8 26.2 40 57 A H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.634 93.0 63.2 -68.9 -9.2 21.0 11.3 25.1 41 58 A b G < S+ 0 0 5 -3,-1.7 -1,-0.3 -15,-0.0 -2,-0.2 0.381 79.5 132.2 -88.7 0.7 23.2 12.9 27.9 42 59 A Y < + 0 0 131 -3,-2.3 2,-0.3 -4,-0.1 -3,-0.0 -0.330 19.5 134.5 -62.4 136.5 20.7 11.6 30.6 43 60 A K - 0 0 56 -2,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.948 52.5 -99.2-164.9 168.2 21.9 9.8 33.6 44 61 A S S S+ 0 0 98 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.599 96.9 39.8 -90.2 156.7 21.2 9.9 37.4 45 62 A G S S+ 0 0 69 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.855 73.4 171.3 78.2 39.2 23.6 11.8 39.8 46 63 A I - 0 0 8 -3,-0.3 21,-2.3 -26,-0.1 2,-0.5 -0.661 18.0-166.0 -88.1 130.2 24.3 14.8 37.7 47 64 A Q E -KN 19 66C 51 -28,-2.5 -28,-2.7 -2,-0.4 2,-0.5 -0.980 17.6-138.7-110.3 128.1 26.3 17.8 39.2 48 65 A V E -KN 18 65C 0 17,-3.4 17,-2.6 -2,-0.5 2,-0.6 -0.735 12.3-158.3 -88.2 127.7 26.1 20.9 37.2 49 65AA R E -KN 17 64C 51 -32,-3.1 -32,-2.4 -2,-0.5 3,-0.3 -0.920 14.3-178.9-114.5 109.1 29.4 22.9 36.9 50 66 A L E + N 0 63C 2 13,-2.8 13,-1.8 -2,-0.6 -34,-0.1 -0.622 59.7 30.7 -99.0 155.6 29.0 26.6 36.0 51 69 A G S S+ 0 0 6 -36,-0.5 10,-0.3 -38,-0.3 2,-0.2 0.735 84.5 155.2 70.0 22.0 31.7 29.2 35.5 52 70 A E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.508 23.1 150.9 -84.8 145.1 34.2 26.7 34.3 53 71 A D S S+ 0 0 14 1,-0.4 2,-0.8 4,-0.3 82,-0.2 0.342 81.8 30.0-124.1 -76.1 37.1 27.2 32.0 54 72 A N S > S- 0 0 26 80,-0.2 3,-1.1 3,-0.2 -1,-0.4 -0.775 72.7-161.4 -78.2 109.5 39.7 24.5 32.9 55 73 A I T 3 S+ 0 0 32 78,-2.5 -1,-0.1 -2,-0.8 79,-0.1 0.619 88.7 52.5 -69.0 -7.4 37.5 21.6 34.2 56 74 A N T 3 S+ 0 0 124 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.406 105.8 56.8-104.8 -3.5 40.5 20.0 35.9 57 75 A V S < S- 0 0 75 -3,-1.1 2,-0.9 76,-0.2 -4,-0.3 -0.993 77.2-132.1-125.8 130.1 41.6 23.1 37.9 58 76 A V + 0 0 113 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.710 32.6 173.3 -76.5 109.3 39.4 25.2 40.4 59 77 A E - 0 0 98 -2,-0.9 -1,-0.2 -5,-0.2 -7,-0.0 0.474 51.7 -97.4-102.2 -3.6 40.2 28.7 39.2 60 78 A G S S+ 0 0 62 0, 0.0 -2,-0.1 0, 0.0 -8,-0.1 0.203 104.8 79.4 114.5 -19.9 37.8 30.7 41.3 61 79 A N + 0 0 64 -10,-0.3 2,-0.1 2,-0.0 -9,-0.1 0.386 65.5 120.0-104.8 8.8 34.7 31.3 39.2 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.407 39.6-171.2 -79.8 146.5 33.0 27.9 39.6 63 81 A Q E -N 50 0C 38 -13,-1.8 -13,-2.8 -2,-0.1 2,-0.6 -0.998 9.2-164.4-128.5 123.2 29.6 27.2 41.0 64 82 A F E +N 49 0C 74 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.960 17.4 169.2-110.6 118.9 28.9 23.4 41.5 65 83 A I E -N 48 0C 20 -17,-2.6 -17,-3.4 -2,-0.6 2,-0.2 -0.994 29.3-125.2-133.0 134.2 25.2 22.7 42.0 66 84 A S E -N 47 0C 51 -2,-0.4 25,-3.1 -19,-0.3 26,-0.3 -0.502 27.5-112.5 -76.0 148.0 23.4 19.3 42.0 67 85 A A E -O 90 0C 18 -21,-2.3 23,-0.3 23,-0.3 3,-0.1 -0.585 20.6-165.7 -73.6 138.9 20.5 18.6 39.8 68 86 A S E S- 0 0 75 21,-3.0 2,-0.3 1,-0.4 22,-0.2 0.683 73.2 -3.4 -98.1 -28.7 17.1 18.1 41.6 69 87 A K E -O 89 0C 88 20,-1.0 20,-2.4 2,-0.0 -1,-0.4 -0.959 57.1-151.6-158.3 153.4 15.2 16.6 38.6 70 88 A S E -O 88 0C 41 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.953 9.0-164.9-122.7 145.3 15.8 15.8 34.9 71 89 A I E -O 87 0C 36 16,-2.4 16,-2.3 -2,-0.4 2,-0.3 -0.961 6.6-156.6-136.2 111.4 13.0 15.8 32.4 72 90 A V E -O 86 0C 46 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.686 42.1 -85.6 -85.5 144.8 13.7 14.1 29.1 73 91 A H > - 0 0 23 12,-2.1 3,-1.8 -2,-0.3 -1,-0.1 -0.164 37.1-120.4 -45.7 136.3 11.5 15.3 26.2 74 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.840 110.8 39.9 -56.3 -30.1 8.2 13.3 26.1 75 93 A S T 3 S+ 0 0 74 8,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.018 77.5 147.5-112.9 31.2 9.0 12.1 22.6 76 94 A Y < - 0 0 61 -3,-1.8 2,-0.5 9,-0.1 7,-0.2 -0.485 27.9-165.8 -64.8 125.4 12.7 11.4 22.8 77 95 A N B >> -P 82 0D 65 5,-2.2 4,-3.0 -2,-0.3 5,-0.6 -0.926 7.2-166.5-114.3 108.8 13.6 8.5 20.5 78 96 A S T 45S+ 0 0 74 -2,-0.5 -1,-0.1 1,-0.2 5,-0.0 0.688 86.3 56.6 -75.4 -11.7 17.1 7.2 21.3 79 97 A N T 45S+ 0 0 150 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.902 123.8 22.4 -83.6 -39.1 17.3 5.1 18.2 80 98 A T T 45S- 0 0 72 -3,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.644 95.2-133.3 -96.1 -15.1 16.7 8.1 15.8 81 99 A L T ><5 + 0 0 35 -4,-3.0 3,-1.0 1,-0.3 2,-0.3 0.621 49.6 157.0 62.2 22.4 17.8 10.9 18.2 82 100 A N B 3 < +P 77 0D 36 -5,-0.6 -5,-2.2 1,-0.3 -1,-0.3 -0.624 67.0 15.9 -76.0 134.1 14.6 12.8 17.3 83 101 A N T 3 S+ 0 0 18 -2,-0.3 2,-2.0 -7,-0.2 -10,-0.3 0.858 78.9 176.1 66.6 45.2 13.7 15.2 20.1 84 102 A D < + 0 0 1 -3,-1.0 2,-0.3 75,-0.2 123,-0.2 -0.477 34.9 112.5 -79.6 78.9 17.1 15.0 21.7 85 103 A I + 0 0 0 -2,-2.0 -12,-2.1 -47,-0.3 2,-0.3 -0.997 36.8 177.3-151.3 141.2 16.5 17.6 24.4 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-2.7 -2,-0.3 2,-0.4 -0.990 19.4-138.5-146.3 150.3 16.3 17.5 28.2 87 105 A L E -MO 36 71C 0 -16,-2.3 -16,-2.4 -2,-0.3 2,-0.5 -0.895 12.1-163.6-111.9 138.3 15.8 20.0 31.1 88 106 A I E -MO 35 70C 0 -53,-2.5 -53,-2.3 -2,-0.4 2,-0.4 -0.990 7.5-152.3-120.0 120.9 17.7 19.8 34.3 89 107 A K E -MO 34 69C 42 -20,-2.4 -21,-3.0 -2,-0.5 -20,-1.0 -0.792 19.4-131.6 -90.5 138.1 16.4 21.8 37.3 90 108 A L E - O 0 67C 0 -57,-2.8 -23,-0.3 -2,-0.4 -24,-0.1 -0.627 11.9-126.6 -88.1 150.2 19.2 22.8 39.8 91 109 A K S S+ 0 0 125 -25,-3.1 2,-0.3 -2,-0.3 -1,-0.1 0.779 96.1 17.7 -67.3 -24.6 18.8 22.2 43.5 92 110 A S S S- 0 0 72 -26,-0.3 2,-0.2 -60,-0.1 -24,-0.1 -0.949 95.3 -94.8-142.4 154.1 19.6 25.9 44.2 93 111 A A - 0 0 52 -2,-0.3 -60,-0.2 1,-0.1 -61,-0.1 -0.505 39.8-119.5 -74.3 138.2 19.6 28.9 42.0 94 112 A A - 0 0 8 -62,-3.4 2,-0.7 -2,-0.2 -1,-0.1 -0.440 24.9-115.4 -63.5 147.1 23.0 29.9 40.5 95 113 A S - 0 0 84 -2,-0.1 2,-0.3 6,-0.0 -1,-0.1 -0.835 34.7-146.3 -87.1 116.8 24.4 33.4 41.3 96 114 A L + 0 0 80 -2,-0.7 5,-0.2 3,-0.1 2,-0.2 -0.672 35.8 139.9 -91.3 138.7 24.4 35.2 38.0 97 115 A N S S- 0 0 77 3,-2.6 3,-0.1 -2,-0.3 0, 0.0 -0.676 70.4 -66.1-151.5-160.5 27.2 37.8 37.2 98 116 A S S S+ 0 0 106 1,-0.2 3,-0.2 -2,-0.2 -2,-0.0 0.833 133.7 42.9 -75.9 -26.8 29.2 38.6 34.0 99 117 A R S S+ 0 0 103 1,-0.2 2,-0.4 -87,-0.1 -1,-0.2 0.588 119.0 42.9 -92.1 -13.5 31.1 35.2 34.0 100 118 A V S S+ 0 0 1 -3,-0.1 -3,-2.6 -50,-0.1 2,-0.3 -0.933 81.2 144.4-132.1 108.2 28.0 33.1 34.9 101 119 A A - 0 0 26 -88,-0.9 -72,-0.3 -2,-0.4 2,-0.1 -0.946 44.8-112.4-142.3 153.0 25.0 34.2 32.8 102 120 A S - 0 0 55 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.2 -0.501 24.3-133.2 -85.3 161.1 21.9 32.7 31.1 103 121 A I - 0 0 16 -74,-2.3 2,-0.2 -89,-0.2 83,-0.1 -0.888 26.1-112.8-111.9 143.3 21.3 32.6 27.3 104 122 A S B -c 186 0B 64 81,-0.7 83,-2.8 -2,-0.4 -73,-0.1 -0.503 22.7-120.6 -75.4 149.5 18.0 33.7 25.8 105 123 A L - 0 0 35 81,-0.2 83,-0.1 -2,-0.2 -1,-0.1 -0.576 40.9-100.8 -83.0 145.9 15.7 31.2 24.1 106 124 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.280 19.6-161.0 -71.2 154.8 14.9 32.2 20.5 107 125 A T S S+ 0 0 131 1,-0.2 2,-0.3 106,-0.0 -2,-0.0 0.585 83.5 25.6-101.9 -14.9 11.7 33.9 19.2 108 127 A S S S- 0 0 77 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.937 88.7-103.5-144.1 155.8 12.4 32.7 15.7 109 128 A c - 0 0 59 -2,-0.3 2,-0.3 -3,-0.1 79,-0.1 -0.662 41.3-117.8 -77.7 142.4 14.2 29.9 14.0 110 129 A A - 0 0 27 -2,-0.3 2,-0.2 78,-0.1 3,-0.1 -0.632 29.3-126.0 -84.2 140.9 17.5 30.9 12.6 111 130 A S > - 0 0 88 -2,-0.3 3,-2.1 1,-0.1 31,-0.3 -0.485 29.9 -85.7 -82.5 156.9 18.0 30.5 8.8 112 132 A A T 3 S+ 0 0 51 1,-0.3 31,-0.2 -2,-0.2 -1,-0.1 -0.276 116.8 41.8 -52.1 136.4 20.6 28.7 6.8 113 133 A G T 3 S+ 0 0 58 29,-2.7 -1,-0.3 1,-0.4 2,-0.1 -0.050 81.6 125.9 103.2 -29.8 23.5 31.1 6.3 114 134 A T < - 0 0 40 -3,-2.1 28,-2.1 27,-0.1 2,-0.4 -0.414 58.4-133.1 -65.7 133.7 23.5 32.4 9.9 115 135 A Q E -D 141 0B 101 26,-0.2 69,-0.4 -2,-0.1 2,-0.2 -0.729 29.4-174.5 -90.4 138.9 26.9 32.1 11.6 116 136 A d E -D 140 0B 6 24,-2.4 24,-2.2 -2,-0.4 2,-0.4 -0.814 25.2-121.0-129.3 163.1 26.7 30.6 15.1 117 137 A L E -DE 139 182B 38 65,-2.8 65,-2.6 -2,-0.2 2,-0.4 -0.944 26.6-173.0-108.9 128.3 29.2 29.9 18.1 118 138 A I E +DE 138 181B 0 20,-2.7 20,-1.9 -2,-0.4 2,-0.3 -0.978 11.6 173.9-119.5 135.0 29.5 26.3 19.2 119 139 A S E +D 137 0B 0 61,-1.0 2,-0.3 -2,-0.4 18,-0.2 -0.937 10.8 116.5-142.9 159.2 31.5 25.4 22.3 120 140 A G E -D 136 0B 0 16,-1.9 16,-1.7 -2,-0.3 56,-0.2 -0.905 60.4 -94.5 164.9 179.3 32.5 22.6 24.7 121 141 A W S S+ 0 0 2 54,-0.5 55,-0.1 -2,-0.3 3,-0.1 -0.083 73.1 129.3-108.5 30.7 35.2 20.3 26.2 122 142 A G - 0 0 0 1,-0.2 53,-0.3 9,-0.1 52,-0.1 -0.127 68.9 -54.8 -78.5-179.6 34.8 17.4 23.7 123 143 A N - 0 0 3 51,-2.6 8,-0.2 8,-0.1 -1,-0.2 -0.163 39.7-158.9 -55.7 140.7 37.4 15.6 21.6 124 144 A T + 0 0 40 6,-2.4 -121,-0.5 -3,-0.1 2,-0.4 0.372 64.7 77.8-105.6 4.8 39.6 17.8 19.4 125 145 A K - 0 0 91 5,-0.3 3,-0.2 3,-0.2 5,-0.1 -0.903 62.7-149.0-119.6 143.5 40.8 15.2 16.9 126 146 A S S S+ 0 0 64 -2,-0.4 71,-0.4 1,-0.3 2,-0.4 0.802 97.5 19.5 -78.0 -27.0 39.0 13.6 13.9 127 147 A S S S+ 0 0 91 69,-0.1 -1,-0.3 0, 0.0 2,-0.1 -0.986 127.2 19.1-138.8 125.3 40.9 10.2 14.2 128 148 A G S S- 0 0 48 -2,-0.4 2,-0.4 -3,-0.2 -3,-0.2 -0.388 88.1 -89.0 99.6 178.3 42.4 9.6 17.6 129 149 A T + 0 0 101 -2,-0.1 2,-0.3 -5,-0.1 -3,-0.1 -0.992 41.1 154.7-140.8 132.2 41.6 11.3 20.9 130 150 A S - 0 0 62 -2,-0.4 -6,-2.4 -5,-0.1 -5,-0.3 -0.898 22.5-158.9-153.6 117.7 42.7 14.4 22.9 131 151 A Y - 0 0 117 -2,-0.3 -8,-0.1 -8,-0.2 2,-0.1 -0.903 15.9-134.8-101.6 127.6 40.4 16.0 25.3 132 152 A P - 0 0 18 0, 0.0 -77,-0.1 0, 0.0 4,-0.1 -0.453 5.4-150.4 -74.0 152.6 41.1 19.6 26.2 133 153 A D S S+ 0 0 76 -2,-0.1 -78,-2.5 -79,-0.1 -77,-0.3 0.722 81.4 56.8 -92.0 -21.3 41.0 20.9 29.7 134 154 A V S S- 0 0 41 -80,-0.3 -80,-0.2 -79,-0.1 2,-0.1 -0.757 101.0 -83.5-114.3 156.8 39.9 24.4 28.7 135 155 A L - 0 0 6 -2,-0.3 -128,-2.2 -82,-0.2 -127,-0.5 -0.357 41.1-155.9 -68.5 131.4 36.8 25.5 26.8 136 156 A K E -BD 6 120B 46 -16,-1.7 -16,-1.9 -130,-0.3 2,-0.3 -0.755 6.7-159.7-104.8 154.5 37.1 25.3 22.9 137 157 A a E -BD 5 119B 2 -132,-2.9 -132,-2.3 -2,-0.3 2,-0.3 -0.925 8.3-171.6-133.7 150.9 35.0 27.4 20.5 138 158 A L E - D 0 118B 5 -20,-1.9 -20,-2.7 -2,-0.3 2,-0.5 -0.983 15.6-147.3-145.6 133.5 34.0 27.2 16.8 139 159 A K E + D 0 117B 127 -2,-0.3 -22,-0.2 -22,-0.2 -24,-0.0 -0.883 34.4 163.6 -95.8 129.0 32.2 29.6 14.6 140 160 A A E - D 0 116B 0 -24,-2.2 -24,-2.4 -2,-0.5 2,-0.2 -0.999 33.0-120.7-146.9 142.9 30.1 27.7 12.0 141 161 A P E - D 0 115B 24 0, 0.0 23,-2.1 0, 0.0 2,-0.3 -0.550 29.0-112.4 -81.5 150.1 27.1 28.5 9.6 142 162 A I B -F 163 0B 9 -28,-2.1 -29,-2.7 -31,-0.3 21,-0.3 -0.644 39.1-137.0 -72.6 138.0 23.8 26.8 9.7 143 163 A L - 0 0 25 19,-2.6 19,-0.3 -2,-0.3 -31,-0.1 -0.559 22.6 -91.2 -97.5 159.1 23.5 24.8 6.5 144 164 A S > - 0 0 43 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.397 32.0-116.1 -66.1 157.8 20.5 24.5 4.3 145 165 A D H > S+ 0 0 90 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.885 117.0 54.2 -64.3 -31.7 17.9 21.7 4.8 146 166 A S H > S+ 0 0 83 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.928 108.1 47.0 -70.6 -38.8 18.8 20.3 1.4 147 167 A S H > S+ 0 0 36 2,-0.2 4,-1.9 -3,-0.2 -2,-0.2 0.982 114.5 49.2 -64.8 -44.5 22.5 20.1 2.2 148 168 A e H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 3,-0.3 0.949 114.6 42.5 -56.7 -54.9 21.7 18.5 5.6 149 169 A K H < S+ 0 0 94 -4,-2.6 -1,-0.2 1,-0.2 6,-0.2 0.864 112.3 53.1 -65.6 -35.2 19.3 15.8 4.2 150 170 A S H < S+ 0 0 96 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.849 111.6 48.0 -68.0 -26.5 21.6 15.0 1.2 151 171 A A H < S+ 0 0 16 -4,-1.9 -2,-0.2 -3,-0.3 -1,-0.2 0.873 126.8 25.7 -77.3 -35.1 24.4 14.5 3.7 152 172 A Y S >X S- 0 0 0 -4,-2.3 3,-2.1 -5,-0.2 4,-0.9 -0.612 84.8-160.8-128.3 71.3 22.2 12.2 6.0 153 173 A P T 34 S+ 0 0 88 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.210 76.4 3.2 -57.6 133.0 19.5 10.6 3.7 154 174 A G T 34 S+ 0 0 93 1,-0.1 -5,-0.1 2,-0.1 -4,-0.1 0.489 118.6 81.0 70.7 4.8 16.5 9.3 5.7 155 175 A Q T <4 + 0 0 88 -3,-2.1 2,-0.5 -6,-0.2 -1,-0.1 0.628 63.0 86.8-116.4 -14.9 17.9 10.5 9.0 156 176 A I < - 0 0 20 -4,-0.9 2,-0.2 -7,-0.1 -2,-0.1 -0.743 53.9-171.9 -91.1 125.0 17.2 14.3 9.4 157 177 A T > - 0 0 40 -2,-0.5 3,-1.3 1,-0.0 -2,-0.0 -0.522 44.3 -95.0-100.1 179.8 13.7 15.2 11.0 158 178 A S T 3 S+ 0 0 85 1,-0.2 53,-0.1 -2,-0.2 -2,-0.0 0.578 123.0 63.4 -66.0 -8.8 12.1 18.7 11.2 159 179 A N T 3 S+ 0 0 25 48,-0.1 49,-2.4 51,-0.0 2,-0.3 0.161 97.8 69.9-101.8 19.0 13.6 18.9 14.8 160 180 A M E < - G 0 207B 7 -3,-1.3 2,-0.3 47,-0.3 47,-0.2 -0.931 55.0-179.3-134.8 146.6 17.2 18.7 13.5 161 181 A F E - G 0 206B 12 45,-2.3 45,-3.0 -2,-0.3 2,-0.3 -0.980 22.2-126.9-143.3 158.4 19.5 21.0 11.6 162 182 A e E + G 0 205B 0 -19,-0.3 -19,-2.6 -2,-0.3 2,-0.3 -0.796 25.2 175.7 -99.3 150.0 23.0 20.8 10.3 163 183 A A E +FG 142 204B 0 41,-1.5 41,-1.0 -2,-0.3 2,-0.4 -0.986 39.0 51.9-149.8 144.1 25.8 23.3 10.9 164 184 A G S S- 0 0 3 -23,-2.1 2,-0.4 -2,-0.3 7,-0.1 -0.973 86.0 -43.1 135.6-146.0 29.4 23.2 10.0 165 184AA Y > - 0 0 48 5,-0.6 3,-1.4 -2,-0.4 37,-0.3 -0.990 25.3-151.7-134.9 123.9 31.4 22.7 6.8 166 185 A L T 3 S+ 0 0 52 -2,-0.4 35,-2.9 1,-0.3 36,-0.2 0.747 100.1 63.6 -69.6 -18.1 30.9 20.1 4.1 167 186 A E T 3 S- 0 0 140 1,-0.2 -1,-0.3 33,-0.2 33,-0.2 0.647 103.3-144.4 -77.6 -12.4 34.7 20.1 3.4 168 187 A G < + 0 0 8 -3,-1.4 -1,-0.2 31,-0.3 31,-0.2 -0.326 64.1 111.8 81.0-167.6 35.2 18.8 7.0 169 188 A G S S+ 0 0 45 29,-2.4 2,-0.4 28,-0.1 30,-0.1 0.083 77.9 61.5 89.6 -23.5 38.0 19.8 9.3 170 188AA K + 0 0 79 -5,-0.2 -5,-0.6 29,-0.1 2,-0.3 -0.998 64.3 114.2-140.7 129.1 35.9 21.7 11.8 171 189 A D B -A 2 0A 6 -169,-2.0 -169,-3.0 -2,-0.4 2,-0.2 -0.979 60.9 -93.1-174.6 163.2 33.0 20.3 13.9 172 190 A S - 0 0 7 -2,-0.3 26,-0.4 -171,-0.2 2,-0.3 -0.488 48.7-175.5 -77.5 179.6 31.8 19.5 17.4 173 191 A f > - 0 0 9 -2,-0.2 3,-2.4 24,-0.1 4,-0.4 -0.881 36.4 -34.6-161.7-177.8 32.6 15.9 18.5 174 192 A Q T 3 S+ 0 0 100 1,-0.3 -51,-2.6 -2,-0.3 -149,-0.1 -0.224 125.6 32.2 -51.3 133.8 32.0 13.4 21.4 175 193 A G T 3 S+ 0 0 15 -53,-0.3 -54,-0.5 -151,-0.2 -1,-0.3 0.122 103.3 78.8 100.0 -25.2 32.0 15.2 24.7 176 194 A D X + 0 0 0 -3,-2.4 3,-2.0 -56,-0.2 15,-0.3 0.647 66.5 124.1 -88.3 -14.2 30.5 18.3 23.2 177 195 A S T 3 S+ 0 0 17 -4,-0.4 -151,-3.1 1,-0.3 15,-0.2 -0.042 70.4 23.9 -49.3 139.1 27.1 16.7 23.3 178 196 A G T 3 S+ 0 0 1 13,-2.7 -1,-0.3 1,-0.3 -150,-0.2 0.048 99.3 125.9 88.7 -19.8 24.3 18.6 25.1 179 197 A G < - 0 0 0 -3,-2.0 12,-1.9 11,-0.1 -1,-0.3 0.048 61.0 -82.5 -74.7 173.9 26.2 21.9 24.5 180 198 A P E - H 0 190B 0 0, 0.0 -61,-1.0 0, 0.0 2,-0.4 -0.407 20.4-168.9 -82.8 147.0 25.1 25.2 22.9 181 199 A V E -EH 118 189B 0 8,-1.6 7,-2.6 -63,-0.2 8,-1.9 -0.963 25.3-171.3-123.9 107.7 24.8 26.5 19.4 182 200 A V E -EH 117 187B 13 -65,-2.6 -65,-2.8 -2,-0.4 2,-0.4 -0.908 10.3-179.7-107.7 128.5 24.2 30.3 19.9 183 201 A d E > S- H 0 186B 3 3,-2.5 3,-1.8 -2,-0.5 -67,-0.2 -0.999 72.7 -11.8-129.6 125.7 23.3 32.5 16.9 184 202 A S T 3 S- 0 0 115 -69,-0.4 -1,-0.1 -2,-0.4 3,-0.1 0.835 129.2 -54.5 51.9 37.3 22.7 36.3 17.4 185 203 A G T 3 S+ 0 0 42 1,-0.2 -81,-0.7 -79,-0.0 2,-0.4 0.657 117.4 108.6 77.9 16.1 22.7 35.9 21.1 186 204 A K E < S-cH 104 183B 71 -3,-1.8 -3,-2.5 -83,-0.1 2,-0.8 -0.960 74.5-117.9-124.9 140.9 19.9 33.2 21.1 187 209 A L E + H 0 182B 0 -83,-2.8 -5,-0.2 -2,-0.4 3,-0.1 -0.647 44.4 159.0 -74.0 111.4 20.3 29.5 21.8 188 210 A Q E + 0 0 13 -7,-2.6 21,-1.5 -2,-0.8 22,-0.5 0.717 55.1 27.3-106.4 -20.7 19.3 27.9 18.5 189 211 A G E -IH 208 181B 0 -8,-1.9 -8,-1.6 19,-0.2 2,-0.4 -0.915 52.5-148.8-143.0 164.8 20.9 24.4 18.8 190 212 A I E -IH 207 180B 0 17,-0.6 17,-1.9 -2,-0.3 2,-0.2 -0.996 40.4-108.2-131.1 127.4 22.1 21.6 21.1 191 213 A V E +I 206 0B 5 -12,-1.9 -13,-2.7 -2,-0.4 15,-0.2 -0.427 56.7 153.7 -58.0 120.6 25.1 19.4 20.0 192 214 A S E - 0 0 5 13,-1.6 2,-0.3 1,-0.4 14,-0.2 0.781 45.3 -36.2-123.6 -65.1 23.4 16.1 19.2 193 215 A W E +I 205 0B 49 12,-1.8 12,-3.1 -16,-0.0 -1,-0.4 -0.901 43.1 164.4-156.5 177.8 25.0 13.7 16.7 194 216 A G - 0 0 28 -2,-0.3 2,-0.8 10,-0.2 10,-0.1 -0.934 51.1 -83.3 178.9 176.2 27.0 13.3 13.4 195 217 A S S S- 0 0 46 8,-0.3 4,-0.4 -2,-0.3 7,-0.0 -0.877 93.6 -43.2-100.0 107.0 29.0 10.5 11.7 196 219 A G S S- 0 0 46 -2,-0.8 2,-0.4 2,-0.1 -69,-0.1 -0.295 92.7 -71.5 65.6-155.9 32.5 10.7 13.3 197 220 A f S S- 0 0 4 -71,-0.4 -24,-0.1 1,-0.1 -28,-0.1 -0.998 101.5 -2.2-138.9 138.5 33.8 14.2 13.7 198 221 A A S S+ 0 0 9 -2,-0.4 -29,-2.4 -26,-0.4 2,-0.2 0.702 86.0 155.4 59.3 26.6 35.0 16.8 11.2 199 221AA Q B > -Q 202 0E 82 3,-0.6 3,-2.3 -4,-0.4 -31,-0.3 -0.568 52.9 -92.0 -87.0 149.5 34.5 14.3 8.2 200 222 A K T 3 S+ 0 0 147 1,-0.3 -33,-0.2 -33,-0.2 -34,-0.1 -0.291 110.2 0.7 -60.5 131.2 34.0 15.4 4.6 201 223 A N T 3 S+ 0 0 74 -35,-2.9 -1,-0.3 -36,-0.1 -35,-0.1 0.535 109.5 100.3 62.6 18.8 30.3 15.7 3.8 202 224 A K B < +Q 199 0E 65 -3,-2.3 -3,-0.6 -37,-0.3 -4,-0.2 -0.623 52.3 177.1-129.4 71.0 29.3 14.7 7.4 203 225 A P - 0 0 3 0, 0.0 -8,-0.3 0, 0.0 -39,-0.2 -0.228 39.2 -86.5 -68.5 164.6 28.5 17.9 9.2 204 226 A G E -G 163 0B 1 -41,-1.0 -41,-1.5 -10,-0.1 2,-0.4 -0.383 37.6-139.9 -70.9 149.1 27.2 18.0 12.9 205 227 A V E -GI 162 193B 1 -12,-3.1 -12,-1.8 -43,-0.2 -13,-1.6 -0.926 20.7-167.7-111.1 138.5 23.5 17.6 13.5 206 228 A Y E -GI 161 191B 1 -45,-3.0 -45,-2.3 -2,-0.4 2,-0.4 -0.936 27.9-106.9-130.6 146.2 21.8 19.7 16.2 207 229 A T E -GI 160 190B 3 -17,-1.9 2,-1.4 -2,-0.3 -17,-0.6 -0.600 36.5-124.5 -69.8 126.0 18.5 19.7 17.9 208 230 A K E > - I 0 189B 44 -49,-2.4 3,-1.6 -2,-0.4 4,-0.3 -0.581 26.4-170.1 -80.4 91.0 16.4 22.7 16.6 209 231 A V G > S+ 0 0 0 -21,-1.5 3,-2.1 -2,-1.4 4,-0.3 0.767 75.4 71.0 -54.4 -32.7 15.6 24.5 19.9 210 232 A c G > S+ 0 0 21 -22,-0.5 3,-0.7 1,-0.3 -1,-0.3 0.815 92.8 58.9 -64.5 -19.5 13.1 26.9 18.4 211 233 A N G < S+ 0 0 72 -3,-1.6 -1,-0.3 1,-0.2 4,-0.2 0.693 108.0 46.3 -75.4 -16.0 10.6 24.0 18.0 212 234 A Y G <> S+ 0 0 7 -3,-2.1 4,-2.9 -4,-0.3 -1,-0.2 0.273 75.4 106.8-112.7 8.4 10.7 23.3 21.8 213 235 A V H <> S+ 0 0 19 -3,-0.7 4,-2.7 -4,-0.3 5,-0.2 0.903 82.1 47.0 -63.4 -41.9 10.3 26.8 23.2 214 236 A S H > S+ 0 0 77 -4,-0.2 4,-2.8 2,-0.2 5,-0.3 0.945 112.8 50.3 -67.9 -39.8 6.7 26.3 24.4 215 237 A W H > S+ 0 0 43 -4,-0.2 4,-2.4 2,-0.2 5,-0.2 0.940 112.8 47.2 -60.6 -46.1 7.6 22.9 25.9 216 238 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.967 114.3 46.3 -57.7 -53.8 10.5 24.6 27.8 217 239 A K H X S+ 0 0 119 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.898 115.1 45.6 -58.5 -43.3 8.5 27.5 29.0 218 240 A Q H X S+ 0 0 116 -4,-2.8 4,-0.8 -5,-0.2 -1,-0.2 0.899 113.0 49.9 -67.8 -36.8 5.5 25.3 30.2 219 241 A T H >X S+ 0 0 17 -4,-2.4 3,-1.1 -5,-0.3 4,-0.6 0.953 112.2 47.1 -68.9 -44.4 7.8 22.8 31.9 220 242 A I H >< S+ 0 0 36 -4,-2.7 3,-1.1 1,-0.3 -1,-0.2 0.930 107.5 58.9 -60.8 -41.7 9.7 25.5 33.8 221 243 A A H 3< S+ 0 0 81 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.695 115.1 33.1 -62.8 -20.3 6.4 27.2 34.8 222 244 A S H << 0 0 101 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.295 360.0 360.0-117.9 5.6 5.1 24.1 36.6 223 245 A N << 0 0 77 -3,-1.1 -2,-0.2 -4,-0.6 -3,-0.2 0.526 360.0 360.0-131.6 360.0 8.2 22.4 38.1