==== 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 1O2J . 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.SHRADER, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9167.0 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 . 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 . 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 . 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 0.000 360.0 360.0 360.0 128.5 53.0 -3.6 25.1 2 17 A V B +A 171 0A 10 169,-2.9 169,-1.7 1,-0.2 123,-0.1 -0.875 360.0 10.1-105.6 141.4 53.0 -7.3 24.1 3 18 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.4 167,-0.1 0.655 103.0 120.4 67.9 16.6 55.0 -8.3 21.0 4 19 A G - 0 0 32 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.161 55.3-121.8 -99.0-165.8 56.8 -4.8 20.9 5 20 A Y E -B 137 0B 91 132,-2.6 132,-2.7 -3,-0.1 2,-0.5 -0.888 34.5 -81.8-135.7 166.8 60.4 -3.8 21.1 6 21 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.574 36.6-150.2 -72.0 119.0 62.6 -1.6 23.3 7 22 A a - 0 0 18 128,-1.7 -1,-0.2 -2,-0.5 129,-0.1 0.871 36.7-113.5 -56.4 -43.5 62.1 2.0 22.0 8 23 A G > - 0 0 27 127,-0.5 3,-1.7 -3,-0.1 4,-0.3 0.017 49.2 -57.4 113.6 140.5 65.6 3.2 23.0 9 24 A A T 3 S- 0 0 55 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.245 118.3 -10.2 -55.3 130.3 66.1 5.9 25.7 10 25 A N T 3 S+ 0 0 37 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.649 89.9 126.6 56.4 24.7 64.2 9.1 25.0 11 26 A T S < S+ 0 0 82 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.576 76.3 50.1 -84.1 -6.4 63.3 8.2 21.4 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.7 1,-0.1 -1,-0.3 -0.690 72.9 174.1-125.5 75.0 59.6 9.0 22.3 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.605 72.3 56.1 -67.4 -12.5 60.1 12.4 23.9 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.4 88,-0.1 2,-0.2 0.466 80.8 108.8 -97.3 -2.8 56.4 13.2 24.3 15 30 A Q E < -J 28 0C 8 -3,-1.7 36,-0.4 13,-0.2 37,-0.4 -0.500 47.4-174.9 -72.3 134.9 55.6 10.0 26.4 16 31 A V E -J 27 0C 0 11,-2.3 11,-1.2 -2,-0.2 2,-0.4 -0.907 20.1-138.7-128.7 161.5 54.9 10.6 30.1 17 32 A S E -JK 26 49C 1 32,-1.8 32,-2.8 -2,-0.3 2,-0.6 -0.958 15.2-142.9-114.7 134.9 54.3 8.1 33.1 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.0 -2,-0.4 7,-1.1 -0.895 28.0-168.8-100.1 128.1 51.5 9.1 35.5 19 34 A N E +JK 23 47C 16 28,-2.9 28,-2.4 -2,-0.6 4,-0.2 -0.971 34.0 169.4-125.5 136.4 52.8 8.0 38.9 20 37 A S S S- 0 0 37 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.320 96.6 -48.0-132.6 44.8 51.0 7.8 42.4 21 38 A G S S+ 0 0 72 1,-0.2 2,-0.3 26,-0.1 -2,-0.1 0.400 139.8 31.9 102.1 -2.5 53.9 5.9 44.1 22 39 A Y S S- 0 0 129 -4,-0.0 -2,-2.0 0, 0.0 2,-0.4 -0.928 102.2 -84.4-170.1 163.4 54.1 3.4 41.1 23 40 A H E +J 19 0C 30 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.665 51.2 157.7 -80.7 128.3 53.4 3.7 37.3 24 41 A F E + 0 0 31 -6,-2.0 2,-0.3 1,-0.4 151,-0.3 0.618 60.0 5.8-127.7 -22.1 49.7 3.3 36.6 25 42 A b E -J 18 0C 8 -7,-1.1 -7,-2.9 151,-0.1 -1,-0.4 -0.978 60.9-128.1-157.3 164.8 49.1 5.0 33.2 26 43 A G E +J 17 0C 2 151,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.452 26.4 177.4-106.3 179.0 50.8 6.7 30.3 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.3 -2,-0.2 2,-0.4 -0.969 24.1-112.2-170.2 173.7 50.0 10.1 28.8 28 45 A S E -JL 15 36C 1 8,-2.4 8,-2.1 -2,-0.3 2,-0.5 -0.982 17.9-131.3-127.3 135.4 51.3 12.5 26.1 29 46 A L E + L 0 35C 1 -15,-2.4 74,-2.1 -2,-0.4 6,-0.2 -0.675 28.6 170.8 -80.1 121.1 52.8 15.9 26.4 30 47 A I E - 0 0 18 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.628 69.6 -8.2-108.8 -14.9 51.0 18.4 24.0 31 48 A N E > S- L 0 34C 49 3,-1.2 3,-0.5 70,-0.1 -1,-0.3 -0.898 91.8 -80.0-160.3-178.4 52.5 21.7 25.2 32 49 A S T 3 S+ 0 0 46 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.653 126.9 30.7 -74.0 -8.5 54.8 22.6 28.2 33 50 A Q T 3 S+ 0 0 60 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.388 110.9 67.8-125.1 3.5 52.0 22.6 30.8 34 51 A W E < -LM 31 89C 9 -3,-0.5 -4,-2.3 55,-0.2 -3,-1.2 -0.978 47.3-177.4-133.5 143.2 49.5 20.1 29.5 35 52 A V E -LM 29 88C 0 53,-2.1 53,-2.4 -2,-0.4 2,-0.4 -0.901 16.4-145.2-125.7 153.1 49.3 16.4 29.0 36 53 A V E +LM 28 87C 0 -8,-2.1 -8,-2.4 -2,-0.3 2,-0.2 -0.965 31.9 148.9-120.2 138.4 46.5 14.3 27.5 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.1 -2,-0.4 2,-0.3 -0.733 50.7 -65.9-147.6-163.3 45.7 10.8 28.9 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.746 34.6-128.7 -98.6 143.9 42.5 8.7 29.3 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.843 107.3 62.3 -60.0 -33.0 39.7 9.6 31.6 40 57 A H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.491 93.2 64.4 -75.0 4.1 39.7 6.2 33.3 41 58 A b G < S+ 0 0 5 -3,-1.9 -1,-0.3 2,-0.0 -2,-0.2 0.297 78.2 127.6-101.8 3.8 43.3 6.9 34.5 42 59 A Y < + 0 0 121 -3,-1.7 2,-0.3 -4,-0.1 -3,-0.0 -0.360 21.5 132.3 -65.7 141.1 42.0 9.7 36.6 43 60 A K - 0 0 56 -2,-0.1 2,-0.2 3,-0.0 3,-0.2 -0.935 53.0-103.9-171.0 168.2 42.9 9.8 40.4 44 61 A S S S+ 0 0 96 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.586 95.6 50.3 -99.8 168.8 44.1 12.5 42.7 45 62 A G S S+ 0 0 66 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.971 73.9 163.7 72.2 49.4 47.8 12.6 43.9 46 63 A I - 0 0 11 -3,-0.2 21,-1.9 21,-0.1 2,-0.5 -0.882 23.4-167.7-107.1 134.2 49.2 12.3 40.4 47 64 A Q E -KN 19 66C 52 -28,-2.4 -28,-2.9 -2,-0.5 2,-0.5 -0.962 17.3-141.5-114.3 134.7 52.9 13.1 39.7 48 65 A V E -KN 18 65C 0 17,-2.8 17,-2.5 -2,-0.5 2,-0.6 -0.844 12.5-157.2 -98.2 126.8 53.7 13.4 35.9 49 65AA R E -KN 17 64C 49 -32,-2.8 -32,-1.8 -2,-0.5 3,-0.3 -0.918 12.9-176.3-112.1 115.4 57.1 11.9 35.1 50 66 A L E + N 0 63C 2 13,-2.7 13,-1.8 -2,-0.6 -34,-0.1 -0.692 61.1 30.6-105.4 157.5 58.7 13.3 31.8 51 69 A G S S+ 0 0 7 -36,-0.4 2,-0.2 -38,-0.3 -1,-0.2 0.716 84.2 152.7 67.2 26.0 62.0 12.2 30.2 52 70 A E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.526 22.5 151.0 -89.3 153.0 61.8 8.7 31.4 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.7 4,-0.2 -1,-0.2 0.290 81.6 32.1-135.9 -79.1 63.2 5.5 30.0 54 72 A N S > S- 0 0 25 80,-0.2 3,-1.0 1,-0.1 -1,-0.4 -0.768 74.1-161.9 -82.7 111.5 63.8 3.1 33.0 55 73 A I T 3 S+ 0 0 28 78,-2.6 -1,-0.1 -2,-0.7 79,-0.1 0.583 85.7 54.0 -74.4 -8.8 61.0 4.1 35.4 56 74 A N T 3 S+ 0 0 112 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.453 106.3 54.5-102.3 -4.7 62.7 2.5 38.4 57 75 A V S < S- 0 0 72 -3,-1.0 2,-0.9 76,-0.2 -4,-0.2 -0.991 75.4-133.1-127.7 138.2 66.1 4.3 38.0 58 76 A V + 0 0 113 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.804 37.8 163.6 -88.8 109.4 66.8 8.1 37.9 59 77 A E - 0 0 107 -2,-0.9 -1,-0.2 1,-0.3 2,-0.1 0.565 56.3 -89.4-102.0 -13.5 69.2 8.0 34.8 60 78 A G S S+ 0 0 32 -3,-0.1 -1,-0.3 -9,-0.0 3,-0.1 -0.284 102.8 70.6 117.1 156.5 69.0 11.7 34.1 61 79 A N + 0 0 73 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.255 68.6 134.1 86.3 -7.6 66.6 13.7 31.9 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.447 34.4-173.9 -76.7 147.7 63.7 13.1 34.2 63 81 A Q E -N 50 0C 35 -13,-1.8 -13,-2.7 -2,-0.1 2,-0.6 -0.988 7.1-163.6-135.0 124.7 61.4 16.0 35.2 64 82 A F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.972 17.2 171.6-112.6 118.4 58.8 15.1 38.0 65 83 A I E -N 48 0C 21 -17,-2.5 -17,-2.8 -2,-0.6 2,-0.1 -0.992 29.1-124.6-130.2 136.0 56.0 17.7 38.1 66 84 A S E -N 47 0C 49 -2,-0.4 25,-2.9 -19,-0.2 26,-0.3 -0.421 29.5-110.1 -76.8 153.4 52.8 17.4 40.1 67 85 A A E -O 90 0C 23 -21,-1.9 23,-0.3 23,-0.2 -21,-0.1 -0.642 20.2-162.6 -79.3 138.4 49.5 17.8 38.3 68 86 A S E S- 0 0 77 21,-2.9 2,-0.3 1,-0.4 22,-0.2 0.824 75.3 -13.2 -90.9 -39.4 47.7 21.1 39.2 69 87 A K E -O 89 0C 86 20,-1.1 20,-2.9 2,-0.0 2,-0.4 -0.983 56.1-145.0-157.8 154.4 44.3 19.8 37.9 70 88 A S E -O 88 0C 32 -2,-0.3 2,-0.5 18,-0.2 18,-0.3 -0.958 13.0-158.2-120.0 139.5 42.9 16.9 35.8 71 89 A I E -O 87 0C 31 16,-3.1 16,-2.1 -2,-0.4 2,-0.2 -0.925 6.3-162.0-122.7 102.1 39.9 17.6 33.5 72 90 A V E -O 86 0C 46 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.613 39.9 -92.1 -81.4 146.7 38.0 14.5 32.7 73 91 A H > - 0 0 23 12,-1.9 3,-1.9 10,-0.3 -1,-0.1 -0.383 33.5-129.0 -57.3 131.8 35.7 14.9 29.6 74 92 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.740 107.5 47.4 -57.5 -26.1 32.2 16.0 30.9 75 93 A S T 3 S+ 0 0 74 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.155 77.8 137.6-103.1 18.7 30.6 13.2 28.9 76 94 A Y < - 0 0 56 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.464 38.4-159.5 -63.9 136.8 32.9 10.5 29.9 77 95 A N B >> -P 82 0D 64 5,-1.7 4,-2.6 -2,-0.1 5,-0.5 -0.956 7.6-159.2-118.4 107.6 30.9 7.3 30.6 78 96 A S T 45S+ 0 0 81 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.698 89.7 56.0 -64.2 -13.8 32.8 4.8 32.8 79 97 A N T 45S+ 0 0 144 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.867 122.4 20.6 -88.8 -35.9 30.7 2.0 31.6 80 98 A T T 45S- 0 0 69 -3,-0.4 -2,-0.2 2,-0.1 77,-0.1 0.648 94.1-132.7-103.3 -16.2 31.1 2.2 27.8 81 99 A L T ><5 + 0 0 31 -4,-2.6 3,-0.8 1,-0.3 2,-0.2 0.654 49.3 158.7 71.6 22.6 34.4 4.2 28.0 82 100 A N B 3 < +P 77 0D 37 -5,-0.5 -5,-1.7 1,-0.3 -1,-0.3 -0.583 66.0 18.4 -74.0 139.6 33.0 6.6 25.4 83 101 A N T 3 S+ 0 0 21 -2,-0.2 2,-2.2 -7,-0.2 -10,-0.3 0.885 80.1 173.3 65.4 43.7 34.8 10.0 25.6 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.416 31.9 114.6 -81.2 71.7 37.7 8.4 27.4 85 103 A I - 0 0 0 -2,-2.2 -12,-1.9 -47,-0.3 2,-0.3 -0.992 37.6-179.0-140.3 147.5 40.0 11.5 27.4 86 104 A M E -MO 37 72C 0 -49,-2.1 -49,-2.6 -2,-0.3 2,-0.4 -0.993 16.8-145.3-147.0 143.3 41.4 13.7 30.2 87 105 A L E -MO 36 71C 0 -16,-2.1 -16,-3.1 -2,-0.3 2,-0.4 -0.909 12.0-162.2-109.4 137.7 43.6 16.8 30.2 88 106 A I E -MO 35 70C 0 -53,-2.4 -53,-2.1 -2,-0.4 2,-0.4 -0.985 7.1-151.4-119.2 130.9 46.1 17.2 33.1 89 107 A K E -MO 34 69C 50 -20,-2.9 -21,-2.9 -2,-0.4 -20,-1.1 -0.828 21.1-128.4 -98.6 140.8 47.6 20.7 33.7 90 108 A L E - O 0 67C 1 -57,-2.7 -23,-0.2 -2,-0.4 -24,-0.1 -0.638 10.8-125.8 -89.9 150.9 51.1 20.7 35.3 91 109 A K S S+ 0 0 129 -25,-2.9 2,-0.3 -2,-0.2 -1,-0.1 0.872 98.7 10.7 -60.9 -42.3 52.0 22.7 38.4 92 110 A S S S- 0 0 72 -26,-0.3 2,-0.1 -60,-0.1 -1,-0.1 -0.920 96.1 -94.7-132.2 160.3 54.9 24.3 36.5 93 111 A A - 0 0 52 -2,-0.3 -60,-0.2 1,-0.1 2,-0.1 -0.459 39.8-116.5 -76.6 151.4 55.8 24.1 32.9 94 112 A A - 0 0 8 -62,-2.9 2,-0.6 -2,-0.1 -1,-0.1 -0.473 24.0-115.6 -80.8 157.4 58.3 21.4 31.7 95 113 A S - 0 0 82 -2,-0.1 2,-0.3 6,-0.0 -1,-0.0 -0.874 36.5-147.5 -92.3 122.8 61.6 22.4 30.2 96 114 A L + 0 0 74 -2,-0.6 2,-0.2 3,-0.1 5,-0.2 -0.712 36.7 136.8 -94.4 147.1 61.3 21.2 26.6 97 115 A N S S- 0 0 64 3,-3.0 -1,-0.0 -2,-0.3 0, 0.0 -0.645 72.6 -63.3-156.4-151.7 64.5 20.0 24.8 98 116 A S S S+ 0 0 89 -2,-0.2 3,-0.2 1,-0.2 -2,-0.0 0.729 134.3 46.3 -85.7 -23.7 65.2 16.9 22.5 99 117 A R S S+ 0 0 97 1,-0.3 2,-0.5 -87,-0.1 -48,-0.3 0.680 121.1 37.4 -90.9 -21.6 64.5 14.4 25.3 100 118 A V S S+ 0 0 0 -50,-0.1 -3,-3.0 -49,-0.1 2,-0.3 -0.966 79.6 143.3-130.3 114.4 61.2 16.1 26.5 101 119 A A - 0 0 29 -88,-1.5 -72,-0.3 -2,-0.5 2,-0.2 -0.976 44.2-113.1-146.8 159.3 59.1 17.5 23.6 102 120 A S - 0 0 53 -2,-0.3 2,-0.3 -72,-0.1 -72,-0.3 -0.521 23.8-133.7 -92.9 165.3 55.4 17.8 22.8 103 121 A I - 0 0 20 -74,-2.1 2,-0.2 -89,-0.2 83,-0.1 -0.850 26.8-107.9-114.0 152.5 53.5 16.0 20.0 104 122 A S B -c 186 0B 66 81,-0.7 83,-3.0 -2,-0.3 -73,-0.1 -0.526 21.6-124.5 -85.3 149.5 51.1 17.8 17.6 105 123 A L - 0 0 35 81,-0.2 83,-0.1 -2,-0.2 2,-0.1 -0.527 39.9-102.8 -82.3 152.9 47.4 17.4 17.6 106 124 A P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.351 15.7-156.2 -79.9 162.6 45.9 16.3 14.2 107 125 A T S S+ 0 0 127 1,-0.3 2,-0.3 -2,-0.1 -2,-0.0 0.496 84.7 19.6-109.1 -17.1 44.1 18.4 11.7 108 127 A S S S- 0 0 76 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.971 88.4 -98.7-147.4 163.5 42.3 15.4 10.2 109 128 A c - 0 0 58 -2,-0.3 2,-0.2 -3,-0.1 79,-0.0 -0.460 42.0-113.7 -81.8 159.8 41.5 11.9 11.3 110 129 A A - 0 0 30 78,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.584 26.3-124.5 -93.4 159.9 43.7 9.1 10.0 111 130 A S > - 0 0 86 -2,-0.2 3,-2.2 1,-0.1 31,-0.3 -0.612 33.0 -86.1-101.1 159.5 42.5 6.4 7.7 112 132 A A T 3 S+ 0 0 55 1,-0.3 31,-0.2 -2,-0.2 -1,-0.1 -0.223 116.4 37.2 -56.7 150.5 42.6 2.6 8.1 113 133 A G T 3 S+ 0 0 53 29,-3.2 -1,-0.3 1,-0.3 30,-0.1 0.171 81.7 135.5 88.9 -22.1 45.9 1.1 7.0 114 134 A T < - 0 0 38 -3,-2.2 28,-2.1 27,-0.1 2,-0.4 -0.419 54.7-132.1 -61.2 133.7 47.8 4.2 8.5 115 135 A Q E -D 141 0B 107 26,-0.2 69,-0.5 -3,-0.1 2,-0.3 -0.737 31.7-179.1 -89.1 134.8 50.8 2.8 10.4 116 136 A d E -D 140 0B 6 24,-2.5 24,-2.6 -2,-0.4 2,-0.5 -0.879 26.4-122.4-132.9 164.4 51.2 4.3 14.0 117 137 A L E -DE 139 182B 37 65,-2.9 65,-2.4 -2,-0.3 2,-0.4 -0.937 22.9-173.8-111.2 125.7 53.6 4.0 17.0 118 138 A I E +DE 138 181B 0 20,-2.7 20,-2.0 -2,-0.5 2,-0.3 -0.944 10.7 178.2-116.7 135.6 52.1 3.0 20.4 119 139 A S E +D 137 0B 0 61,-0.8 2,-0.3 -2,-0.4 18,-0.2 -0.941 11.5 126.5-137.6 159.9 54.5 3.0 23.4 120 140 A G E -D 136 0B 1 16,-2.3 16,-1.8 -2,-0.3 56,-0.2 -0.911 58.5-106.1 165.7 168.2 54.2 2.4 27.1 121 141 A W S S+ 0 0 2 54,-0.5 55,-0.1 -2,-0.3 3,-0.1 -0.029 72.7 127.8-104.1 27.9 55.4 0.6 30.3 122 142 A G S S- 0 0 0 1,-0.2 53,-0.3 14,-0.1 52,-0.1 -0.227 70.2 -54.7 -81.5 174.9 52.4 -1.8 30.4 123 143 A N - 0 0 7 51,-2.7 8,-0.2 8,-0.1 -1,-0.2 -0.067 37.1-157.8 -47.8 145.0 52.4 -5.6 30.7 124 144 A T S S+ 0 0 43 6,-2.0 -121,-0.5 -3,-0.1 2,-0.4 0.281 71.6 70.9-109.3 5.9 54.5 -7.5 28.0 125 145 A K - 0 0 96 3,-0.3 3,-0.3 5,-0.2 5,-0.2 -0.944 62.0-154.4-123.0 145.0 52.6 -10.9 28.4 126 146 A S S S+ 0 0 51 -2,-0.4 71,-0.4 1,-0.3 2,-0.4 0.656 96.5 43.1 -90.8 -16.4 49.0 -11.6 27.3 127 147 A S S S- 0 0 88 69,-0.1 -1,-0.3 1,-0.0 2,-0.2 -0.812 123.4 -0.6-128.2 88.2 48.8 -14.4 30.0 128 148 A G S S- 0 0 44 -2,-0.4 2,-0.5 -3,-0.3 -3,-0.3 -0.500 89.4 -76.9 119.3 169.9 50.3 -13.2 33.3 129 149 A T + 0 0 101 -2,-0.2 2,-0.4 -5,-0.1 -3,-0.1 -0.925 46.2 158.3-112.3 128.6 51.9 -9.9 34.3 130 150 A S - 0 0 59 -2,-0.5 -6,-2.0 -5,-0.2 -5,-0.2 -0.881 20.4-167.7-142.7 102.3 55.5 -9.0 33.4 131 151 A Y - 0 0 110 -2,-0.4 -8,-0.1 -8,-0.2 2,-0.1 -0.802 14.3-134.9 -96.4 138.0 56.0 -5.2 33.6 132 152 A P - 0 0 19 0, 0.0 -77,-0.1 0, 0.0 4,-0.1 -0.436 8.2-141.5 -88.4 165.2 59.2 -3.7 32.0 133 153 A D S S+ 0 0 83 -2,-0.1 -78,-2.6 -79,-0.1 -77,-0.2 0.818 86.2 52.2 -92.5 -36.4 61.5 -1.1 33.4 134 154 A V S S- 0 0 35 -80,-0.3 -80,-0.2 -79,-0.1 2,-0.2 -0.606 99.5 -84.6-102.1 164.0 62.1 0.6 30.1 135 155 A L - 0 0 6 -2,-0.2 -128,-1.7 -82,-0.1 -127,-0.5 -0.445 40.2-152.6 -68.2 131.5 59.7 2.0 27.5 136 156 A K E -BD 6 120B 45 -16,-1.8 -16,-2.3 -130,-0.2 2,-0.3 -0.801 7.6-158.3-108.1 150.1 58.4 -0.5 24.9 137 157 A a E -BD 5 119B 3 -132,-2.7 -132,-2.6 -2,-0.3 2,-0.3 -0.891 10.0-176.2-126.3 151.2 57.2 0.4 21.4 138 158 A L E - D 0 118B 7 -20,-2.0 -20,-2.7 -2,-0.3 2,-0.5 -0.975 18.3-145.1-148.8 133.5 54.9 -1.3 18.8 139 159 A K E + D 0 117B 123 -2,-0.3 -22,-0.2 -22,-0.2 -24,-0.0 -0.872 33.7 166.7 -97.6 130.5 54.1 -0.2 15.2 140 160 A A E - D 0 116B 0 -24,-2.6 -24,-2.5 -2,-0.5 2,-0.2 -0.997 30.1-125.5-145.6 143.6 50.4 -1.1 14.5 141 161 A P E - D 0 115B 24 0, 0.0 23,-1.9 0, 0.0 2,-0.3 -0.599 27.6-111.0 -88.5 152.8 48.0 -0.1 11.7 142 162 A I B -F 163 0B 11 -28,-2.1 -29,-3.2 -31,-0.3 21,-0.3 -0.612 39.4-137.3 -75.5 138.1 44.6 1.5 12.2 143 163 A L - 0 0 27 19,-2.7 19,-0.3 -2,-0.3 -29,-0.1 -0.504 23.3 -90.2 -95.4 167.8 41.9 -1.1 11.2 144 164 A S > - 0 0 40 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.378 32.1-118.3 -74.2 155.8 38.7 -0.5 9.2 145 165 A D H > S+ 0 0 89 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.896 114.3 57.2 -62.1 -39.0 35.6 0.4 11.0 146 166 A S H > S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.910 108.4 44.9 -61.4 -42.2 33.9 -2.7 9.7 147 167 A S H > S+ 0 0 45 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 114.1 50.7 -68.5 -38.3 36.6 -5.0 11.1 148 168 A e H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 3,-0.2 0.974 113.6 43.3 -61.8 -53.8 36.5 -3.1 14.5 149 169 A K H < S+ 0 0 113 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.820 111.6 55.4 -63.1 -31.0 32.7 -3.3 14.8 150 170 A S H < S+ 0 0 95 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.883 112.0 44.4 -69.7 -36.1 32.8 -7.0 13.7 151 171 A A H < S+ 0 0 13 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.893 129.6 23.0 -74.9 -38.9 35.2 -7.7 16.6 152 172 A Y S >X S- 0 0 0 -4,-2.3 3,-2.1 -5,-0.2 4,-0.6 -0.569 84.1-164.6-122.8 64.2 33.4 -5.7 19.3 153 173 A P T 34 S+ 0 0 89 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.273 74.5 7.3 -58.9 131.9 29.8 -5.5 18.1 154 174 A G T 34 S+ 0 0 88 2,-0.1 -5,-0.1 -5,-0.1 -4,-0.1 0.345 116.1 81.0 81.2 -5.4 27.7 -2.9 19.9 155 175 A Q T <4 + 0 0 91 -3,-2.1 2,-0.5 -6,-0.2 -6,-0.1 0.532 64.9 86.8-111.1 -3.5 30.7 -1.5 21.8 156 176 A I < - 0 0 22 -4,-0.6 2,-0.1 -7,-0.1 -2,-0.1 -0.842 54.4-170.6 -98.2 126.0 32.5 0.9 19.3 157 177 A T > - 0 0 39 -2,-0.5 3,-1.3 -77,-0.1 -2,-0.1 -0.433 45.1 -95.1-102.2-177.2 31.3 4.5 19.2 158 178 A S T 3 S+ 0 0 89 1,-0.3 53,-0.1 -2,-0.1 -1,-0.0 0.553 122.5 65.3 -76.1 -0.2 32.3 7.1 16.7 159 179 A N T 3 S+ 0 0 26 48,-0.1 49,-2.4 51,-0.0 2,-0.3 0.217 96.7 65.5-105.9 17.9 35.0 8.2 19.3 160 180 A M E < - G 0 207B 6 -3,-1.3 2,-0.3 47,-0.3 47,-0.2 -0.923 55.1-177.9-133.4 157.5 36.9 5.0 19.1 161 181 A F E - G 0 206B 10 45,-1.5 45,-2.6 -2,-0.3 2,-0.3 -0.950 24.1-125.3-149.4 156.6 39.0 3.1 16.5 162 182 A e E + G 0 205B 1 -2,-0.3 -19,-2.7 -19,-0.3 2,-0.3 -0.776 26.4 176.6-105.5 150.0 40.8 -0.2 16.6 163 183 A A E +FG 142 204B 0 41,-1.7 41,-1.4 -2,-0.3 2,-0.4 -0.987 37.1 61.7-148.1 145.0 44.5 -0.6 15.7 164 184 A G S S- 0 0 3 -23,-1.9 2,-0.4 -2,-0.3 7,-0.1 -0.982 81.5 -50.1 141.8-155.6 46.5 -3.8 16.0 165 184AA Y > - 0 0 51 5,-0.6 3,-1.9 -2,-0.4 5,-0.3 -0.966 25.2-154.8-132.6 114.9 46.7 -7.3 14.5 166 185 A L T 3 S+ 0 0 59 -2,-0.4 35,-2.9 1,-0.3 36,-0.1 0.682 94.2 66.6 -62.5 -18.1 43.8 -9.7 14.3 167 186 A E T 3 S- 0 0 129 33,-0.2 -1,-0.3 1,-0.2 33,-0.2 0.644 104.9-131.5 -79.6 -11.8 46.2 -12.7 14.4 168 187 A G S < S+ 0 0 10 -3,-1.9 31,-0.2 31,-0.3 -1,-0.2 -0.262 72.1 98.2 90.4 177.5 47.1 -11.8 17.9 169 188 A G S S+ 0 0 41 29,-2.2 2,-0.4 28,-0.1 30,-0.1 0.046 79.2 62.5 91.9 -28.5 50.6 -11.5 19.5 170 188AA K + 0 0 78 -5,-0.3 -5,-0.6 29,-0.1 2,-0.3 -0.999 63.6 118.3-132.3 127.5 51.1 -7.7 19.3 171 189 A D B -A 2 0A 5 -169,-1.7 -169,-2.9 -2,-0.4 2,-0.2 -0.973 61.0 -96.4-173.3 169.8 48.9 -5.2 21.3 172 190 A S - 0 0 8 -2,-0.3 26,-0.4 -171,-0.2 2,-0.3 -0.483 49.7-177.3 -89.4 170.7 49.0 -2.6 24.0 173 191 A f > - 0 0 13 -2,-0.2 3,-2.2 24,-0.1 4,-0.5 -0.883 36.1 -35.2-154.8-173.5 48.0 -3.9 27.5 174 192 A Q T 3 S+ 0 0 125 -2,-0.3 -51,-2.7 1,-0.3 -149,-0.1 -0.225 125.3 33.4 -52.9 132.2 47.4 -3.0 31.1 175 193 A G T 3 S+ 0 0 9 -53,-0.3 -54,-0.5 -151,-0.3 -1,-0.3 0.149 105.4 77.5 103.2 -20.1 49.8 -0.2 32.2 176 194 A D X + 0 0 0 -3,-2.2 3,-2.2 -56,-0.2 15,-0.3 0.699 63.2 119.5 -92.1 -25.4 49.7 1.3 28.6 177 195 A S T 3 S+ 0 0 21 -4,-0.5 -151,-2.7 1,-0.3 15,-0.2 -0.046 73.2 26.8 -40.0 139.5 46.3 3.0 29.1 178 196 A G T 3 S+ 0 0 0 13,-2.8 -1,-0.3 1,-0.3 -150,-0.2 0.067 98.5 118.1 89.1 -24.6 46.3 6.8 28.6 179 197 A G < - 0 0 0 -3,-2.2 12,-2.2 -152,-0.1 -1,-0.3 -0.068 65.2 -76.6 -78.9-178.3 49.4 6.7 26.3 180 198 A P E - H 0 190B 0 0, 0.0 -61,-0.8 0, 0.0 2,-0.5 -0.363 19.6-169.4 -85.4 147.4 50.0 7.8 22.7 181 199 A V E -EH 118 189B 0 8,-1.5 7,-2.2 -63,-0.2 8,-1.8 -0.977 28.2-171.2-126.8 107.5 49.1 6.3 19.3 182 200 A V E +EH 117 187B 12 -65,-2.4 -65,-2.9 -2,-0.5 2,-0.4 -0.926 10.6 178.9-111.8 132.3 51.1 8.6 16.9 183 201 A d E > S- H 0 186B 3 3,-2.5 3,-2.1 -2,-0.5 -67,-0.2 -0.999 71.5 -10.8-132.2 131.4 50.7 8.4 13.2 184 202 A S T 3 S- 0 0 110 -69,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.874 129.1 -56.5 48.0 40.4 52.7 10.7 10.7 185 203 A G T 3 S+ 0 0 43 1,-0.2 -81,-0.7 -79,-0.0 2,-0.4 0.698 116.0 110.1 69.4 19.2 53.8 12.7 13.7 186 204 A K E < S-cH 104 183B 69 -3,-2.1 -3,-2.5 -83,-0.1 2,-0.9 -0.959 75.4-116.4-125.6 147.3 50.4 13.5 15.0 187 209 A L E + H 0 182B 0 -83,-3.0 -5,-0.2 -2,-0.4 3,-0.1 -0.690 46.1 159.5 -79.9 106.3 48.7 12.2 18.2 188 210 A Q E + 0 0 12 -7,-2.2 21,-1.4 -2,-0.9 22,-0.5 0.701 55.4 22.3-104.4 -23.6 45.7 10.2 16.7 189 211 A G E -IH 208 181B 0 -8,-1.8 -8,-1.5 19,-0.2 2,-0.4 -0.934 53.6-145.4-144.3 168.1 44.8 7.9 19.6 190 212 A I E -IH 207 180B 1 17,-0.8 17,-2.1 -2,-0.3 2,-0.3 -0.994 40.7-108.2-130.6 129.7 44.9 7.3 23.3 191 213 A V E +I 206 0B 5 -12,-2.2 -13,-2.8 -2,-0.4 15,-0.2 -0.472 54.9 156.4 -60.5 121.8 45.3 3.7 24.6 192 214 A S E - 0 0 4 13,-1.6 2,-0.3 1,-0.3 14,-0.2 0.749 46.1 -41.1-119.5 -66.4 41.8 3.0 26.0 193 215 A W E +I 205 0B 53 12,-1.6 12,-2.9 -16,-0.0 -1,-0.3 -0.879 41.5 174.6-154.8-173.9 40.7 -0.7 26.2 194 216 A G - 0 0 27 -2,-0.3 2,-0.8 10,-0.2 10,-0.1 -0.931 47.1 -86.5 178.4 175.9 40.7 -4.2 24.6 195 217 A S S S- 0 0 47 8,-0.4 4,-0.4 -2,-0.3 7,-0.1 -0.890 93.2 -43.4-103.8 102.3 39.6 -7.8 25.5 196 219 A G S S- 0 0 54 -2,-0.8 2,-0.4 2,-0.1 -69,-0.1 -0.361 94.2 -67.9 71.1-159.3 42.7 -9.3 27.3 197 220 A f S S- 0 0 16 -71,-0.4 -28,-0.1 1,-0.1 -24,-0.1 -0.999 102.4 -8.8-136.2 133.8 45.9 -8.4 25.5 198 221 A A S S+ 0 0 9 -2,-0.4 -29,-2.2 -26,-0.4 2,-0.2 0.752 83.9 156.7 53.5 36.2 47.1 -9.6 22.0 199 221AA Q > - 0 0 82 3,-0.5 3,-1.6 -4,-0.4 -31,-0.3 -0.581 52.5 -93.8 -88.1 151.0 44.3 -12.2 21.6 200 222 A K T 3 S+ 0 0 141 1,-0.3 -33,-0.2 -33,-0.2 -34,-0.1 -0.355 107.5 5.2 -61.4 142.9 43.3 -13.3 18.1 201 223 A N T 3 S+ 0 0 74 -35,-2.9 -1,-0.3 1,-0.1 -35,-0.1 0.525 107.8 96.9 56.6 13.8 40.4 -11.2 16.7 202 224 A K < - 0 0 69 -3,-1.6 -3,-0.5 -37,-0.2 -7,-0.2 -0.722 56.0-178.9-128.9 77.3 40.3 -8.8 19.7 203 225 A P - 0 0 3 0, 0.0 -8,-0.4 0, 0.0 -39,-0.2 -0.140 36.0 -87.0 -70.9 173.5 42.4 -5.7 18.6 204 226 A G E -G 163 0B 0 -41,-1.4 -41,-1.7 -10,-0.1 2,-0.4 -0.532 36.3-139.4 -82.3 154.6 43.1 -2.7 20.9 205 227 A V E -GI 162 193B 1 -12,-2.9 -12,-1.6 -43,-0.2 -13,-1.6 -0.933 20.8-170.1-116.7 137.9 40.5 0.1 21.0 206 228 A Y E -GI 161 191B 1 -45,-2.6 -45,-1.5 -2,-0.4 2,-0.3 -0.893 29.7-104.2-127.7 154.7 41.7 3.8 21.2 207 229 A T E -GI 160 190B 2 -17,-2.1 2,-1.3 -2,-0.3 -17,-0.8 -0.667 36.9-124.8 -80.6 134.3 40.1 7.1 21.8 208 230 A K E > - I 0 189B 47 -49,-2.4 3,-1.7 -2,-0.3 4,-0.3 -0.656 26.7-171.3 -84.2 89.8 39.8 8.9 18.4 209 231 A V G > S+ 0 0 0 -21,-1.4 3,-2.4 -2,-1.3 4,-0.5 0.811 75.0 72.1 -54.1 -36.8 41.7 12.2 19.3 210 232 A c G 3 S+ 0 0 23 -22,-0.5 3,-0.5 1,-0.3 -1,-0.3 0.763 93.4 58.4 -56.0 -23.3 40.7 14.0 16.0 211 233 A N G < S+ 0 0 69 -3,-1.7 -1,-0.3 1,-0.2 4,-0.2 0.626 108.9 45.5 -82.5 -9.6 37.1 14.3 17.4 212 234 A Y S <> S+ 0 0 8 -3,-2.4 4,-2.6 -4,-0.3 5,-0.2 0.358 74.8 105.0-112.9 5.7 38.4 16.2 20.4 213 235 A V H > S+ 0 0 15 -3,-0.5 4,-2.6 -4,-0.5 5,-0.2 0.905 86.0 45.3 -57.9 -41.3 40.8 18.8 19.0 214 236 A S H > S+ 0 0 80 -4,-0.2 4,-3.0 2,-0.2 5,-0.2 0.912 113.9 50.1 -67.8 -39.4 38.3 21.8 19.4 215 237 A W H > S+ 0 0 43 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.948 112.7 47.4 -62.5 -48.8 37.4 20.6 23.0 216 238 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.955 115.4 45.2 -57.3 -53.3 41.1 20.3 23.9 217 239 A K H X S+ 0 0 127 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.912 115.9 45.1 -59.0 -46.0 41.9 23.7 22.4 218 240 A Q H X S+ 0 0 130 -4,-3.0 4,-1.1 2,-0.2 -2,-0.2 0.920 114.9 48.5 -67.1 -42.9 38.8 25.4 24.1 219 241 A T H >X S+ 0 0 17 -4,-3.1 3,-0.9 -5,-0.2 4,-0.5 0.952 112.5 46.3 -64.4 -50.1 39.4 23.8 27.4 220 242 A I H >< S+ 0 0 36 -4,-2.8 3,-1.2 1,-0.3 -1,-0.2 0.923 110.4 56.7 -58.4 -41.8 43.2 24.7 27.5 221 243 A A H 3< S+ 0 0 84 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.789 110.3 41.9 -62.6 -26.4 42.3 28.2 26.5 222 244 A S H << 0 0 90 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.336 360.0 360.0-102.2 8.3 39.9 28.8 29.4 223 245 A N << 0 0 87 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.1 -0.076 360.0 360.0-131.5 360.0 42.1 27.1 32.2