==== 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 18-JUN-03 1PQ8 . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM OXYSPORUM; . AUTHOR A.SCHMIDT,C.JELSCH,W.RYPNIEWSKI,V.S.LAMZIN . 227 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8797.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 33.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.9 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 . 0 0.0 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 . 8 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.6 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 1 0 0 1 1 0 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 . 4 3 3 3 2 2 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 1 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 127.8 -2.6 8.3 -7.7 2 17 A V B +A 174 0A 19 172,-2.9 172,-1.8 1,-0.2 125,-0.1 -0.872 360.0 9.6-103.3 133.4 -3.1 8.9 -11.4 3 18 A G S S+ 0 0 45 123,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.722 101.2 143.9 74.0 24.5 -6.7 9.4 -12.7 4 19 A G - 0 0 28 -3,-0.4 2,-0.3 136,-0.1 136,-0.2 -0.216 42.5-142.7 -96.0 175.0 -8.0 9.7 -9.2 5 20 A T E -B 139 0B 91 134,-2.6 134,-2.5 -2,-0.1 2,-0.1 -0.909 40.5 -80.3-130.6 161.6 -10.6 11.5 -7.2 6 21 A S E -B 138 0B 88 -2,-0.3 132,-0.3 132,-0.2 2,-0.2 -0.382 43.0-126.9 -67.4 133.9 -10.6 12.9 -3.7 7 22 A A - 0 0 8 130,-2.5 2,-0.2 -2,-0.1 -1,-0.1 -0.546 23.5-127.3 -70.8 145.7 -11.3 10.4 -0.9 8 23 A S > - 0 0 72 -2,-0.2 3,-2.4 1,-0.1 -1,-0.1 -0.579 36.3 -82.9 -89.0 157.9 -14.0 11.3 1.5 9 24 A A T 3 S+ 0 0 62 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.265 119.4 24.4 -54.6 137.2 -13.6 11.4 5.3 10 25 A G T 3 S+ 0 0 34 1,-0.4 2,-0.3 89,-0.2 -1,-0.3 0.447 88.6 128.3 81.0 -7.7 -14.0 7.9 6.8 11 26 A D S < S+ 0 0 45 -3,-2.4 -1,-0.4 1,-0.3 4,-0.2 -0.645 86.8 3.6 -69.9 142.3 -13.0 6.4 3.4 12 27 A F S > S- 0 0 7 -2,-0.3 3,-3.1 1,-0.1 -1,-0.3 0.879 78.3-170.7 45.0 58.6 -10.2 3.9 4.3 13 28 A P T 3 S+ 0 0 49 0, 0.0 88,-1.5 0, 0.0 43,-0.3 0.706 83.8 53.1 -51.3 -23.5 -10.4 4.6 8.2 14 29 A F T 3 S+ 0 0 9 86,-0.2 16,-3.2 88,-0.1 89,-0.2 0.398 81.0 118.9 -90.7 -6.6 -7.2 2.5 8.5 15 30 A I E < -J 29 0C 9 -3,-3.1 41,-0.7 14,-0.2 2,-0.4 -0.456 40.4-172.9 -72.3 140.6 -5.1 4.5 6.0 16 31 A V E -JK 28 55C 0 12,-2.4 12,-1.9 -2,-0.2 2,-0.4 -0.950 19.4-134.1-123.2 148.6 -1.9 6.1 7.3 17 32 A S E -JK 27 54C 4 37,-2.3 37,-2.0 -2,-0.4 2,-0.5 -0.778 15.5-151.9 -91.3 149.0 0.5 8.4 5.6 18 33 A I E -JK 26 53C 1 8,-3.0 8,-2.4 -2,-0.4 7,-0.5 -0.950 12.6-169.5-124.1 105.7 4.1 7.7 6.1 19 34 A S E -JK 24 52C 18 33,-2.8 33,-2.0 -2,-0.5 2,-0.4 -0.644 4.7-158.4 -86.8 153.8 6.4 10.7 6.0 20 35 A R E > S-JK 23 51C 60 3,-2.4 3,-2.3 -2,-0.2 31,-0.2 -0.996 75.7 -8.0-135.3 129.3 10.2 10.4 5.8 21 36 A N T 3 S- 0 0 129 29,-2.3 30,-0.1 -2,-0.4 -1,-0.1 0.838 130.2 -58.7 54.4 31.2 12.5 13.3 6.8 22 37 A G T 3 S+ 0 0 70 28,-0.6 -1,-0.3 1,-0.3 3,-0.1 0.347 119.7 95.7 85.3 -3.9 9.4 15.4 7.1 23 38 A G E < S-J 20 0C 25 -3,-2.3 -3,-2.4 1,-0.2 -1,-0.3 -0.596 85.5 -73.3-116.9 173.4 8.3 14.9 3.4 24 39 A P E +J 19 0C 61 0, 0.0 -1,-0.2 0, 0.0 -5,-0.2 -0.280 60.5 140.4 -64.7 150.9 6.0 12.7 1.5 25 40 A W E - 0 0 82 -7,-0.5 153,-0.3 1,-0.4 155,-0.3 0.333 54.5 -19.7-151.1 -70.2 7.2 9.1 1.2 26 41 A a E -J 18 0C 9 -8,-2.4 -8,-3.0 153,-0.1 -1,-0.4 -0.886 47.2-124.9-143.2 175.5 4.7 6.2 1.4 27 42 A G E +J 17 0C 2 153,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.701 25.6 177.4-113.7 177.3 1.3 5.0 2.7 28 43 A G E -J 16 0C 0 -12,-1.9 -12,-2.4 -2,-0.2 2,-0.4 -0.955 26.5-108.3-166.1-177.4 0.3 2.2 5.0 29 44 A S E -JL 15 37C 3 8,-2.3 8,-2.9 -2,-0.3 2,-0.6 -0.991 23.5-130.2-132.1 127.1 -2.6 0.5 6.7 30 45 A L E + L 0 36C 0 -16,-3.2 73,-2.5 -2,-0.4 6,-0.2 -0.651 25.6 177.8 -78.4 116.7 -3.3 0.5 10.5 31 46 A L E - 0 0 20 4,-2.6 2,-0.3 -2,-0.6 -1,-0.2 0.751 66.0 -22.7 -89.2 -31.7 -3.8 -3.1 11.6 32 47 A N E > S- L 0 35C 39 3,-1.1 3,-1.4 69,-0.1 -1,-0.3 -0.898 91.4 -64.3-167.7-177.9 -4.3 -2.5 15.3 33 48 A A T 3 S+ 0 0 30 1,-0.3 61,-2.6 -2,-0.3 59,-0.1 0.743 131.6 24.0 -60.6 -26.1 -3.4 0.2 17.8 34 49 A N T 3 S+ 0 0 58 59,-0.2 56,-2.4 190,-0.2 2,-0.4 0.226 108.8 81.6-122.5 18.1 0.3 -0.3 17.5 35 50 A T E < -LM 32 89C 0 -3,-1.4 -4,-2.6 54,-0.2 -3,-1.1 -0.986 44.8-176.1-138.0 130.2 0.8 -1.8 14.1 36 51 A V E -LM 30 88C 0 52,-2.4 52,-3.0 -2,-0.4 2,-0.5 -0.966 15.0-149.0-119.3 139.2 1.1 -0.6 10.5 37 52 A L E +LM 29 87C 2 -8,-2.9 -8,-2.3 -2,-0.4 2,-0.2 -0.903 33.8 148.5-100.3 129.5 1.4 -2.7 7.3 38 53 A T E - M 0 86C 0 48,-2.4 48,-2.3 -2,-0.5 2,-0.3 -0.776 52.3 -69.6-142.4-176.8 3.3 -1.0 4.5 39 54 A A >> - 0 0 0 -12,-0.4 3,-1.1 46,-0.3 4,-0.5 -0.673 36.9-131.0 -75.6 140.5 5.6 -2.1 1.6 40 55 A A H >> S+ 0 0 0 -2,-0.3 4,-3.1 1,-0.3 3,-1.5 0.875 106.1 61.0 -57.6 -40.2 9.0 -3.4 2.6 41 56 A H H 34 S+ 0 0 28 1,-0.3 -1,-0.3 2,-0.2 44,-0.0 0.750 95.0 63.8 -66.1 -21.2 10.7 -1.2 0.1 42 57 A a H <4 S+ 0 0 0 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.768 124.2 11.0 -65.7 -27.3 9.3 1.9 1.9 43 58 A V H X< S+ 0 0 3 -3,-1.5 3,-1.6 -4,-0.5 -2,-0.2 0.593 84.7 129.1-128.0 -22.7 11.3 1.1 5.0 44 59 A S T 3< S- 0 0 53 -4,-3.1 3,-0.1 1,-0.3 29,-0.0 -0.218 92.0 -13.9 -58.9 119.8 13.9 -1.7 4.5 45 60 A G T 3 S+ 0 0 85 1,-0.2 -1,-0.3 -2,-0.0 2,-0.1 0.307 102.2 124.7 77.2 -9.1 17.3 -0.6 5.8 46 61 A Y S < S- 0 0 88 -3,-1.6 2,-0.3 1,-0.1 -1,-0.2 -0.456 78.5 -84.6 -76.7 156.2 16.4 3.1 6.1 47 62 A A > - 0 0 67 1,-0.2 3,-1.6 -2,-0.1 4,-0.2 -0.455 37.3-146.3 -61.0 123.0 16.9 4.9 9.4 48 63 A Q G > S+ 0 0 77 -2,-0.3 3,-2.2 1,-0.3 21,-0.3 0.854 92.2 67.3 -60.7 -38.3 13.7 4.3 11.4 49 64 A S G 3 S+ 0 0 113 1,-0.3 -1,-0.3 19,-0.1 -2,-0.1 0.776 86.5 69.6 -62.0 -15.3 13.8 7.6 13.0 50 65 A G G < S+ 0 0 14 -3,-1.6 -29,-2.3 -30,-0.1 -28,-0.6 0.640 85.2 88.8 -75.5 -15.3 13.1 9.3 9.8 51 66 A F E < -K 20 0C 5 -3,-2.2 18,-0.5 -31,-0.2 2,-0.4 -0.682 48.9-177.8 -95.5 144.2 9.6 8.0 9.6 52 67 A Q E -K 19 0C 78 -33,-2.0 -33,-2.8 -2,-0.3 2,-0.3 -0.992 12.7-153.1-135.5 127.6 6.3 9.5 11.0 53 68 A I E -KN 18 67C 0 14,-3.1 14,-2.2 -2,-0.4 2,-0.4 -0.747 8.3-168.2 -94.2 141.8 2.9 7.8 10.7 54 69 A R E -KN 17 66C 36 -37,-2.0 -37,-2.3 -2,-0.3 2,-0.3 -0.996 6.1-177.0-133.2 131.1 -0.3 9.9 10.6 55 70 A A E +KN 16 65C 1 10,-2.7 10,-2.3 -2,-0.4 -39,-0.1 -0.840 58.4 33.4-117.1 154.9 -3.7 8.3 11.0 56 71 A G S S+ 0 0 24 -41,-0.7 8,-0.4 -43,-0.3 2,-0.3 0.651 93.0 98.6 80.7 17.4 -7.2 9.8 10.9 57 72 A S - 0 0 30 -42,-0.3 -1,-0.2 6,-0.2 6,-0.1 -0.986 65.1-144.9-136.3 149.7 -6.6 12.5 8.4 58 73 A L S S+ 0 0 46 -2,-0.3 79,-2.2 -3,-0.1 2,-0.3 0.632 92.7 63.6 -79.0 -16.3 -7.1 13.2 4.7 59 74 A S B S-P 136 0D 7 3,-0.4 -42,-0.2 77,-0.2 77,-0.2 -0.715 73.2-144.5-101.6 162.1 -3.9 15.1 4.8 60 75 A R S S+ 0 0 49 75,-0.7 -41,-0.1 -2,-0.3 -1,-0.1 0.677 96.8 49.0 -88.7 -20.8 -0.3 13.9 5.6 61 76 A T S S+ 0 0 90 74,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.489 114.1 17.7-111.2 -4.6 0.7 17.1 7.3 62 77 A S S S+ 0 0 69 3,-0.0 -3,-0.4 -8,-0.0 -1,-0.1 -0.971 89.2 37.6-155.3 166.4 -2.0 17.9 9.8 63 78 A G S S+ 0 0 42 -2,-0.3 -6,-0.2 1,-0.2 -8,-0.1 0.023 80.4 46.7 82.1 167.0 -4.9 16.4 11.7 64 79 A G S S- 0 0 42 -8,-0.4 2,-0.4 -10,-0.1 -8,-0.2 -0.214 96.9 -47.9 66.8-150.3 -5.4 13.0 13.2 65 80 A I E -N 55 0C 71 -10,-2.3 -10,-2.7 -3,-0.1 2,-0.3 -0.983 49.9-153.9-132.3 131.1 -2.9 11.2 15.3 66 81 A T E -N 54 0C 48 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.692 11.2-180.0-105.2 158.7 0.8 10.8 14.7 67 82 A S E -N 53 0C 3 -14,-2.2 -14,-3.1 -2,-0.3 2,-0.1 -0.972 19.6-139.6-150.5 147.2 3.4 8.3 15.8 68 83 A S - 0 0 60 -2,-0.3 23,-2.5 -16,-0.2 24,-0.5 -0.332 41.3 -93.3 -84.2 177.1 7.1 7.5 15.4 69 84 A L E -O 90 0C 19 -18,-0.5 21,-0.3 -21,-0.3 3,-0.1 -0.775 28.1-176.6-100.1 139.6 8.3 4.0 14.9 70 85 A S E S- 0 0 65 19,-3.2 2,-0.3 -2,-0.4 20,-0.2 0.732 74.4 -7.9 -96.1 -33.5 9.5 1.5 17.5 71 86 A S E -O 89 0C 48 18,-1.2 18,-2.4 -23,-0.1 2,-0.4 -0.991 53.0-146.1-159.3 164.3 10.5 -1.3 15.1 72 87 A V E -O 88 0C 34 -2,-0.3 2,-0.4 16,-0.2 16,-0.2 -0.999 12.2-176.7-134.6 133.0 10.4 -2.5 11.5 73 88 A R E -O 87 0C 122 14,-2.4 14,-2.8 -2,-0.4 2,-0.2 -0.966 10.1-158.6-133.8 114.4 10.1 -6.1 10.4 74 89 A V E -O 86 0C 46 -2,-0.4 12,-0.2 12,-0.2 10,-0.1 -0.542 41.8 -81.3 -84.3 157.3 10.3 -6.9 6.7 75 90 A H > - 0 0 23 10,-2.5 3,-2.1 8,-0.3 -1,-0.1 -0.307 40.9-123.1 -52.7 137.6 8.8 -10.2 5.3 76 91 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.686 111.5 44.2 -62.6 -14.2 11.4 -13.0 5.9 77 92 A S T 3 S+ 0 0 69 6,-0.1 -2,-0.1 2,-0.0 2,-0.1 0.149 78.0 142.9-116.7 11.6 11.4 -13.7 2.2 78 93 A Y < + 0 0 58 -3,-2.1 2,-0.3 7,-0.1 5,-0.2 -0.366 18.6 154.1 -56.7 129.7 11.6 -10.1 0.9 79 94 A S B > -Q 82 0E 85 3,-2.1 3,-2.4 -2,-0.1 2,-0.1 -0.868 60.7 -34.8-164.6 121.9 13.8 -10.1 -2.2 80 95 A G T 3 S- 0 0 58 -2,-0.3 -1,-0.1 1,-0.3 -39,-0.0 -0.438 126.5 -27.1 59.8-131.4 13.8 -7.7 -5.1 81 96 A N T > S+ 0 0 56 -2,-0.1 3,-0.6 145,-0.1 2,-0.3 0.415 115.8 111.0 -85.4 -6.4 10.2 -6.8 -5.6 82 97 A N B < S+Q 79 0E 40 -3,-2.4 -3,-2.1 1,-0.2 3,-0.1 -0.575 81.8 5.1 -81.9 138.4 9.0 -10.1 -4.1 83 98 A N T 3 S- 0 0 11 -2,-0.3 2,-2.0 -5,-0.2 -8,-0.3 0.926 78.3-177.0 61.7 48.5 7.2 -10.3 -0.8 84 99 A D < + 0 0 2 -3,-0.6 2,-0.3 78,-0.2 127,-0.2 -0.400 33.8 112.4 -86.4 62.6 7.1 -6.6 -0.5 85 100 A L - 0 0 0 -2,-2.0 -10,-2.5 -46,-0.3 2,-0.3 -0.984 38.1-175.6-132.2 150.4 5.5 -6.2 2.9 86 101 A A E -MO 38 74C 0 -48,-2.3 -48,-2.4 -2,-0.3 2,-0.5 -0.991 19.5-137.7-142.1 147.8 6.7 -4.9 6.3 87 102 A I E -MO 37 73C 3 -14,-2.8 -14,-2.4 -2,-0.3 2,-0.4 -0.919 20.4-163.8-104.0 123.6 5.2 -4.7 9.8 88 103 A L E -MO 36 72C 0 -52,-3.0 -52,-2.4 -2,-0.5 2,-0.4 -0.923 7.3-149.1-108.0 134.1 5.9 -1.4 11.6 89 104 A K E -MO 35 71C 44 -18,-2.4 -19,-3.2 -2,-0.4 -18,-1.2 -0.874 19.9-132.6-102.5 138.9 5.3 -1.1 15.4 90 105 A L E - O 0 69C 8 -56,-2.4 -21,-0.2 -2,-0.4 3,-0.1 -0.712 9.9-147.9 -95.3 138.5 4.3 2.3 16.6 91 106 A S S S+ 0 0 63 -23,-2.5 2,-0.5 -2,-0.3 -22,-0.1 0.713 94.3 45.0 -67.0 -29.0 5.8 4.2 19.5 92 107 A T S S- 0 0 71 -24,-0.5 -1,-0.2 -59,-0.1 2,-0.1 -0.995 89.3-128.4-120.9 121.7 2.4 5.8 20.2 93 108 A S - 0 0 79 -2,-0.5 -59,-0.2 -3,-0.1 -60,-0.1 -0.455 18.1-147.3 -71.6 142.2 -0.7 3.6 20.2 94 109 A I - 0 0 0 -61,-2.6 2,-0.2 -2,-0.1 -59,-0.1 -0.951 10.8-143.3-117.8 113.0 -3.6 4.9 18.0 95 110 A P - 0 0 86 0, 0.0 2,-0.1 0, 0.0 5,-0.1 -0.455 16.1-118.5 -78.7 147.9 -7.1 4.2 19.2 96 111 A S + 0 0 69 -2,-0.2 5,-0.2 3,-0.1 2,-0.2 -0.447 63.5 97.2 -76.1 154.5 -10.0 3.3 16.8 97 112 A G B > +R 100 0F 50 3,-3.0 3,-2.0 1,-0.2 2,-0.1 -0.453 68.8 20.2 136.9 151.0 -12.9 5.7 16.8 98 113 A G T 3 S- 0 0 82 1,-0.3 -1,-0.2 -2,-0.2 -42,-0.1 -0.456 134.6 -15.3 66.2-135.3 -14.1 8.6 14.7 99 114 A N T 3 S+ 0 0 82 -43,-0.2 2,-0.5 -2,-0.1 -43,-0.3 0.283 122.3 90.1 -88.6 12.6 -12.4 8.5 11.3 100 115 A I B < +R 97 0F 19 -3,-2.0 -3,-3.0 -45,-0.1 2,-0.3 -0.923 48.6 145.8-105.7 134.1 -9.8 6.0 12.6 101 116 A G - 0 0 15 -88,-1.5 2,-0.3 -2,-0.5 -71,-0.2 -0.924 43.8-101.5-150.4 176.1 -10.3 2.3 12.3 102 117 A Y - 0 0 77 -2,-0.3 -71,-0.2 -71,-0.1 -88,-0.1 -0.782 40.3-101.9-107.0 149.7 -8.4 -0.9 11.7 103 118 A A - 0 0 14 -73,-2.5 2,-0.5 -2,-0.3 87,-0.1 -0.386 19.0-142.0 -71.4 142.2 -8.1 -2.8 8.5 104 119 A R - 0 0 175 85,-0.4 87,-3.0 -2,-0.1 2,-0.3 -0.885 30.2-136.2 -94.9 133.5 -10.0 -6.0 7.8 105 120 A L B -c 191 0B 32 -2,-0.5 87,-0.2 85,-0.2 3,-0.1 -0.693 14.3-102.2 -98.9 145.7 -7.8 -8.3 5.8 106 121 A A - 0 0 5 85,-2.4 -1,-0.1 -2,-0.3 3,-0.1 -0.232 56.4 -89.7 -56.9 143.2 -8.4 -10.4 2.8 107 122 A A > - 0 0 62 1,-0.1 3,-2.3 2,-0.1 -1,-0.1 -0.216 48.0 -92.5 -59.0 146.4 -8.8 -14.0 3.7 108 123 A S T 3 S+ 0 0 81 1,-0.3 107,-0.2 -3,-0.1 106,-0.1 -0.388 113.5 16.8 -57.0 131.3 -5.7 -16.2 3.9 109 124 A G T 3 S+ 0 0 67 105,-2.8 -1,-0.3 1,-0.3 106,-0.1 0.327 93.5 134.4 87.2 -6.7 -5.2 -17.9 0.5 110 125 A S < - 0 0 46 -3,-2.3 -1,-0.3 104,-0.2 -4,-0.0 -0.385 35.7-167.0 -74.9 158.8 -7.5 -15.6 -1.4 111 126 A D - 0 0 76 103,-0.1 53,-0.0 -3,-0.1 50,-0.0 -0.964 31.0-106.4-144.8 120.7 -6.4 -14.1 -4.7 112 127 A P - 0 0 24 0, 0.0 2,-0.3 0, 0.0 53,-0.1 -0.244 39.2-118.1 -57.9 133.7 -8.3 -11.2 -6.3 113 128 A V > - 0 0 106 1,-0.1 3,-2.4 33,-0.1 31,-0.3 -0.519 30.5-102.0 -77.3 134.7 -10.3 -12.4 -9.3 114 129 A A T 3 S+ 0 0 55 -2,-0.3 31,-0.2 1,-0.3 -1,-0.1 -0.198 107.4 20.3 -53.7 133.1 -9.5 -11.0 -12.6 115 130 A G T 3 S+ 0 0 59 29,-2.7 -1,-0.3 1,-0.3 30,-0.1 0.232 91.1 127.4 90.9 -16.6 -12.0 -8.2 -13.6 116 131 A S < - 0 0 47 -3,-2.4 28,-2.6 1,-0.1 2,-0.4 -0.396 65.7-104.9 -71.2 160.4 -13.2 -7.5 -10.1 117 132 A S E +D 143 0B 52 26,-0.2 70,-0.5 -3,-0.1 2,-0.3 -0.705 39.0 179.7 -96.4 133.0 -13.0 -3.9 -9.0 118 133 A A E -D 142 0B 0 24,-2.7 24,-2.6 -2,-0.4 2,-0.4 -0.893 15.6-146.9-127.1 153.4 -10.4 -2.7 -6.6 119 134 A T E -DE 141 185B 20 66,-2.4 66,-2.9 -2,-0.3 2,-0.3 -0.990 11.8-169.2-125.6 131.6 -9.7 0.7 -5.2 120 135 A V E -DE 140 184B 0 20,-2.5 20,-2.3 -2,-0.4 2,-0.3 -0.894 6.6-170.1-119.2 148.1 -6.3 2.1 -4.3 121 136 A A E +D 139 0B 0 62,-1.8 2,-0.3 -2,-0.3 18,-0.2 -0.977 17.1 121.9-140.8 150.7 -5.5 5.3 -2.4 122 137 A G E -D 138 0B 2 16,-2.2 16,-2.1 -2,-0.3 57,-0.2 -0.983 58.2-102.3 175.2-179.7 -2.6 7.5 -1.5 123 138 A W S S+ 0 0 14 55,-0.5 56,-0.2 -2,-0.3 3,-0.1 0.028 73.8 122.6-108.7 21.1 -0.8 10.8 -1.5 124 139 A G S S- 0 0 0 1,-0.2 54,-0.3 9,-0.1 53,-0.1 -0.041 71.6 -54.5 -79.7-177.3 1.6 10.0 -4.4 125 140 A A - 0 0 3 52,-2.6 -1,-0.2 5,-0.1 8,-0.1 -0.181 33.8-145.8 -63.9 149.4 2.1 11.8 -7.6 126 141 A T S S+ 0 0 68 6,-0.5 -123,-0.5 1,-0.1 2,-0.2 0.361 89.5 32.3 -99.3 2.7 -0.9 12.5 -9.9 127 142 A S S > S- 0 0 77 -125,-0.1 3,-1.8 -124,-0.1 -1,-0.1 -0.843 104.1 -85.1-146.4 141.7 1.4 12.1 -13.1 128 143 A E T 3 S+ 0 0 85 73,-0.4 3,-0.1 1,-0.3 -2,-0.1 -0.298 117.9 6.9 -49.9 129.7 4.7 9.6 -13.7 129 144 A G T 3 S+ 0 0 67 1,-0.2 -1,-0.3 -2,-0.1 47,-0.0 0.572 93.1 159.6 73.2 7.2 7.7 11.4 -12.4 130 145 A G < - 0 0 36 -3,-1.8 -1,-0.2 1,-0.1 -5,-0.1 -0.288 31.9-157.0 -63.9 148.0 5.6 14.3 -11.0 131 146 A S S S+ 0 0 117 -3,-0.1 2,-0.3 -6,-0.0 -1,-0.1 0.640 70.3 69.7 -98.7 -21.5 7.4 16.3 -8.4 132 147 A S - 0 0 90 -8,-0.0 -6,-0.5 0, 0.0 -2,-0.0 -0.716 63.5-161.8 -98.3 156.4 4.3 17.7 -6.6 133 148 A T - 0 0 38 -2,-0.3 -8,-0.1 -8,-0.1 -9,-0.1 -0.959 24.9-101.6-136.4 152.0 1.9 15.7 -4.6 134 149 A P - 0 0 27 0, 0.0 4,-0.1 0, 0.0 3,-0.0 -0.415 17.0-139.2 -75.0 151.6 -1.6 16.4 -3.4 135 150 A V S S+ 0 0 88 -2,-0.1 -75,-0.7 -76,-0.1 2,-0.3 0.933 86.8 50.8 -70.9 -46.7 -2.4 17.6 0.1 136 151 A N B S-P 59 0D 82 -77,-0.2 -77,-0.2 1,-0.1 -14,-0.1 -0.699 99.5 -89.0-103.6 150.0 -5.5 15.4 0.5 137 152 A L - 0 0 1 -79,-2.2 -130,-2.5 -2,-0.3 2,-0.3 -0.176 38.7-160.0 -56.5 135.2 -5.8 11.7 -0.2 138 153 A L E -BD 6 122B 26 -16,-2.1 -16,-2.2 -132,-0.3 2,-0.3 -0.801 5.7-168.8-112.0 159.0 -6.8 10.5 -3.6 139 154 A K E -BD 5 121B 54 -134,-2.5 -134,-2.6 -2,-0.3 2,-0.3 -0.963 3.8-170.9-142.1 157.6 -8.3 7.2 -4.7 140 155 A V E - D 0 120B 7 -20,-2.3 -20,-2.5 -2,-0.3 2,-0.5 -0.995 17.2-135.8-149.8 147.1 -8.9 5.4 -8.0 141 156 A T E + D 0 119B 70 -2,-0.3 -22,-0.2 -22,-0.2 -24,-0.0 -0.898 30.8 163.6-108.5 128.8 -10.8 2.3 -8.9 142 157 A V E - D 0 118B 3 -24,-2.6 -24,-2.7 -2,-0.5 2,-0.2 -0.975 35.3-106.7-141.0 151.5 -9.3 -0.2 -11.4 143 158 A P E - D 0 117B 45 0, 0.0 24,-2.2 0, 0.0 -26,-0.2 -0.557 36.3-104.0 -79.0 151.8 -10.0 -3.8 -12.3 144 159 A I E -F 166 0B 7 -28,-2.6 -29,-2.7 -31,-0.3 2,-0.5 -0.462 32.7-143.7 -66.0 136.5 -7.8 -6.7 -11.3 145 160 A V E -F 165 0B 25 20,-2.3 20,-0.8 -31,-0.2 -31,-0.1 -0.924 26.1-104.8-104.5 131.4 -5.6 -8.0 -14.1 146 161 A S > - 0 0 39 -2,-0.5 4,-2.7 1,-0.1 5,-0.1 -0.194 21.6-124.8 -53.4 146.4 -5.1 -11.7 -14.3 147 162 A R H > S+ 0 0 39 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.881 111.9 58.0 -59.9 -38.3 -1.7 -12.9 -13.2 148 163 A A H > S+ 0 0 74 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.929 109.8 42.8 -57.5 -45.3 -1.2 -14.6 -16.6 149 164 A T H > S+ 0 0 67 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.905 112.1 53.9 -66.3 -43.3 -1.8 -11.3 -18.3 150 165 A b H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.920 107.9 50.3 -58.6 -41.3 0.5 -9.6 -15.8 151 166 A R H X S+ 0 0 74 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.826 105.8 56.3 -66.3 -29.5 3.2 -12.1 -16.6 152 167 A A H < S+ 0 0 89 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.851 112.4 43.4 -69.1 -34.1 2.8 -11.5 -20.3 153 168 A Q H < S+ 0 0 41 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.902 132.5 17.4 -71.8 -44.1 3.5 -7.8 -19.5 154 169 A Y H < S- 0 0 41 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.591 115.2 -89.1-108.4 -17.9 6.4 -8.2 -17.2 155 170 A G X - 0 0 30 -4,-2.6 4,-0.9 -5,-0.3 -1,-0.2 -0.156 36.3 -91.0 112.3 150.1 7.8 -11.7 -17.6 156 171 A T T >4 S+ 0 0 108 1,-0.2 3,-0.6 2,-0.2 -1,-0.1 0.932 123.1 42.0 -61.0 -47.0 6.9 -15.0 -16.0 157 172 A S T 34 S+ 0 0 115 1,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 0.766 104.5 67.3 -72.1 -26.7 9.4 -14.8 -13.2 158 173 A A T 34 S+ 0 0 38 -7,-0.2 2,-0.6 1,-0.1 -1,-0.2 0.756 95.9 56.4 -69.8 -29.8 8.8 -11.2 -12.4 159 174 A I S << S- 0 0 1 -4,-0.9 2,-0.2 -3,-0.6 -1,-0.1 -0.943 76.0-173.5-106.5 117.7 5.2 -11.7 -11.2 160 175 A T > - 0 0 22 -2,-0.6 3,-1.8 4,-0.1 -2,-0.0 -0.484 42.9 -97.3-105.4 174.6 5.0 -14.2 -8.3 161 176 A N T 3 S+ 0 0 101 1,-0.3 -1,-0.0 -2,-0.2 -14,-0.0 0.578 122.1 61.0 -69.4 -5.8 2.2 -15.8 -6.4 162 177 A Q T 3 S+ 0 0 52 54,-0.0 50,-2.5 52,-0.0 2,-0.3 0.255 100.0 66.9-102.8 12.7 2.7 -13.1 -3.7 163 178 A M E < - G 0 211B 5 -3,-1.8 2,-0.3 48,-0.2 48,-0.2 -0.942 58.3-172.9-125.1 150.4 1.8 -10.3 -6.2 164 179 A F E - G 0 210B 4 46,-2.1 46,-3.1 -2,-0.3 2,-0.3 -0.939 16.2-134.1-135.6 167.2 -1.4 -9.4 -8.0 165 180 A b E +FG 145 209B 0 -20,-0.8 -20,-2.3 -2,-0.3 2,-0.3 -0.832 19.3 176.0-122.4 154.0 -2.0 -6.8 -10.7 166 181 A A E +FG 144 208B 0 42,-2.2 42,-2.4 -2,-0.3 2,-0.3 -0.979 26.1 95.3-154.7 146.3 -4.6 -4.1 -11.4 167 182 A G - 0 0 6 -24,-2.2 2,-0.4 -2,-0.3 40,-0.1 -0.922 61.9 -83.2 158.2-179.6 -5.1 -1.4 -14.0 168 183 A V > - 0 0 42 5,-0.5 3,-2.0 -2,-0.3 37,-0.4 -0.890 30.7-126.6-115.4 143.7 -6.8 -0.7 -17.3 169 184 A S T 3 S+ 0 0 91 -2,-0.4 36,-1.7 1,-0.3 37,-0.1 0.869 110.9 52.2 -58.5 -37.5 -5.4 -1.7 -20.7 170 185 A S T 3 S- 0 0 88 1,-0.2 -1,-0.3 34,-0.2 2,-0.0 0.494 105.0-140.2 -68.5 -12.7 -5.6 1.9 -21.9 171 186 A G < + 0 0 8 -3,-2.0 -1,-0.2 32,-0.3 32,-0.2 -0.266 62.5 114.5 73.7-174.9 -3.7 3.2 -19.0 172 187 A G + 0 0 37 30,-2.3 2,-0.4 -3,-0.1 31,-0.1 0.243 67.1 73.8 96.3 -8.0 -4.6 6.4 -17.2 173 188 A K + 0 0 94 -5,-0.2 -5,-0.5 30,-0.1 2,-0.3 -0.985 64.4 107.4-136.7 120.0 -5.6 5.0 -13.8 174 189 A D B -A 2 0A 4 -172,-1.8 -172,-2.9 -2,-0.4 2,-0.2 -0.992 64.1 -89.7-172.5 167.0 -3.0 3.7 -11.3 175 190 A S - 0 0 0 -2,-0.3 27,-0.3 -174,-0.2 2,-0.2 -0.524 47.7-175.7 -80.6 162.1 -1.0 4.1 -8.2 176 191 A c > - 0 0 0 -2,-0.2 3,-2.5 25,-0.1 4,-0.4 -0.799 37.2 -38.2-146.6-172.6 2.3 6.0 -8.6 177 192 A Q T 3 S+ 0 0 76 1,-0.3 -52,-2.6 51,-0.2 51,-0.1 -0.355 126.3 29.9 -58.1 134.1 5.5 7.0 -6.7 178 193 A G T 3 S+ 0 0 19 50,-2.1 -55,-0.5 -153,-0.3 -1,-0.3 0.168 103.4 81.4 93.8 -14.4 4.6 8.1 -3.2 179 194 A D X + 0 0 1 -3,-2.5 3,-2.1 -57,-0.2 16,-0.4 0.543 62.1 127.0 -89.1 -13.5 1.6 5.7 -3.1 180 195 A S T 3 S+ 0 0 0 48,-2.2 -153,-2.9 -4,-0.4 16,-0.2 -0.103 72.8 17.1 -50.4 140.7 3.8 2.7 -2.2 181 196 A G T 3 S+ 0 0 0 14,-2.9 -1,-0.3 1,-0.3 -152,-0.1 0.114 97.7 118.7 84.6 -20.0 2.8 0.8 0.8 182 197 A G < - 0 0 0 -3,-2.1 13,-2.3 1,-0.1 -1,-0.3 -0.140 67.8 -76.1 -75.8 173.2 -0.7 2.2 0.9 183 198 A P E - H 0 194B 0 0, 0.0 -62,-1.8 0, 0.0 2,-0.4 -0.411 28.2-171.6 -83.5 145.3 -3.9 0.2 0.6 184 199 A I E -EH 120 193B 0 9,-2.0 8,-2.3 -64,-0.2 9,-1.8 -0.998 23.7-172.1-121.6 130.7 -5.7 -1.4 -2.3 185 200 A V E -EH 119 191B 0 -66,-2.9 -66,-2.4 -2,-0.4 6,-0.2 -0.814 21.6-117.8-118.7 156.6 -9.1 -2.8 -1.2 186 201 A D > - 0 0 47 4,-2.3 3,-2.2 -2,-0.3 -68,-0.2 -0.214 51.7 -82.3 -78.5-177.4 -11.7 -4.8 -2.8 187 202 A S T 3 S+ 0 0 95 -70,-0.5 -69,-0.1 1,-0.3 -1,-0.1 0.665 131.9 55.8 -66.5 -15.3 -15.2 -3.5 -3.5 188 203 A S T 3 S- 0 0 90 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.302 118.9-109.3 -91.2 0.6 -16.2 -4.2 0.1 189 204 A N < + 0 0 92 -3,-2.2 -85,-0.4 1,-0.3 2,-0.3 0.590 69.9 146.5 74.1 15.4 -13.3 -2.2 1.5 190 205 A T - 0 0 14 -87,-0.1 -4,-2.3 1,-0.1 2,-0.6 -0.641 58.0-109.0 -75.6 136.7 -11.4 -5.3 2.7 191 206 A L E +cH 105 185B 1 -87,-3.0 -85,-2.4 -2,-0.3 -6,-0.2 -0.560 45.7 165.1 -73.8 114.7 -7.6 -4.8 2.4 192 207 A I E - 0 0 10 -8,-2.3 21,-2.2 -2,-0.6 22,-0.6 0.627 57.7 -16.9-104.7 -16.8 -6.3 -7.0 -0.5 193 208 A G E -IH 212 184B 1 -9,-1.8 -9,-2.0 19,-0.3 2,-0.4 -0.987 53.8-110.4-168.7 178.1 -2.8 -5.5 -1.0 194 209 A A E -IH 211 183B 3 17,-1.6 17,-2.4 -2,-0.3 -12,-0.1 -0.975 45.9 -99.5-123.6 138.7 -0.2 -2.9 -0.6 195 210 A V E +I 210 0B 0 -13,-2.3 -14,-2.9 -2,-0.4 15,-0.2 -0.393 55.3 158.6 -53.8 128.4 1.0 -0.7 -3.5 196 211 A S E - 0 0 1 13,-1.7 32,-0.7 1,-0.3 31,-0.5 0.755 41.9 -40.7-125.4 -65.5 4.3 -2.2 -4.6 197 212 A W E +I 209 0B 24 12,-2.0 12,-2.8 30,-0.3 -1,-0.3 -0.957 44.7 162.0-161.9 172.3 5.8 -1.6 -8.1 198 213 A G - 0 0 19 -2,-0.3 2,-1.0 28,-0.2 10,-0.1 -0.953 50.6 -77.0 175.1 176.3 5.2 -1.2 -11.8 199 214 A N S S- 0 0 59 8,-0.4 4,-0.4 -2,-0.3 7,-0.0 -0.798 96.0 -48.1 -95.2 95.1 6.6 0.1 -15.1 200 215 A G S S- 0 0 12 -2,-1.0 2,-0.4 2,-0.1 28,-0.0 -0.309 90.3 -65.4 64.8-154.4 6.1 3.7 -14.8 201 216 A c S S- 0 0 8 1,-0.1 -73,-0.4 -25,-0.1 -25,-0.1 -0.988 102.3 -9.9-137.8 128.3 2.6 4.8 -13.7 202 217 A A S S+ 0 0 15 -2,-0.4 -30,-2.3 -27,-0.3 -2,-0.1 0.699 84.1 158.6 62.6 26.3 -0.7 4.4 -15.5 203 218 A R > - 0 0 93 -4,-0.4 3,-1.5 3,-0.3 -32,-0.3 -0.549 49.9 -97.6 -76.1 145.7 0.9 3.3 -18.7 204 219 A P T 3 S+ 0 0 75 0, 0.0 -34,-0.2 0, 0.0 -35,-0.2 -0.314 105.6 6.6 -56.8 136.9 -1.1 1.3 -21.3 205 220 A N T 3 S+ 0 0 96 -36,-1.7 2,-0.4 -37,-0.4 -36,-0.1 0.648 105.0 98.0 60.8 24.3 -0.5 -2.4 -20.9 206 221 A Y < - 0 0 91 -3,-1.5 -3,-0.3 -38,-0.3 -4,-0.2 -0.818 62.9-153.3-139.3 98.1 1.7 -2.3 -17.8 207 222 A S - 0 0 7 -2,-0.4 -8,-0.4 1,-0.1 2,-0.2 -0.184 23.0-102.3 -62.2 153.3 -0.5 -3.0 -14.7 208 223 A G E -G 166 0B 0 -42,-2.4 -42,-2.2 -10,-0.1 2,-0.4 -0.619 37.4-138.2 -68.4 144.5 0.2 -1.8 -11.3 209 224 A V E -GI 165 197B 0 -12,-2.8 -12,-2.0 -2,-0.2 -13,-1.7 -0.916 20.3-168.6-113.7 132.7 1.7 -4.6 -9.1 210 225 A Y E -GI 164 195B 0 -46,-3.1 -46,-2.1 -2,-0.4 2,-0.4 -0.924 28.0-116.3-124.7 141.0 0.6 -5.1 -5.6 211 226 A A E -GI 163 194B 2 -17,-2.4 -17,-1.6 -2,-0.4 2,-0.6 -0.658 43.2-123.6 -72.9 129.7 1.9 -7.1 -2.6 212 227 A S E > - I 0 193B 2 -50,-2.5 4,-1.1 -2,-0.4 -19,-0.3 -0.669 22.6-167.8 -90.2 115.6 -0.9 -9.6 -1.9 213 228 A V T >4 S+ 0 0 0 -21,-2.2 3,-0.7 -2,-0.6 4,-0.4 0.914 91.4 56.2 -61.6 -43.0 -2.4 -9.7 1.6 214 229 A G T 34 S+ 0 0 2 -22,-0.6 -105,-2.8 1,-0.3 3,-0.5 0.866 112.5 42.7 -57.7 -36.7 -4.2 -12.9 0.8 215 230 A A T 34 S+ 0 0 42 1,-0.2 -1,-0.3 -107,-0.2 3,-0.2 0.719 117.7 44.9 -79.1 -19.5 -0.9 -14.5 -0.1 216 231 A L S + 0 0 48 -3,-0.5 4,-3.1 -4,-0.4 5,-0.3 0.792 68.0 64.3 -65.7 -28.9 -1.3 -13.6 5.8 218 233 A S H > S+ 0 0 90 -3,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.961 109.2 39.5 -61.2 -47.8 1.0 -15.9 7.6 219 234 A F H > S+ 0 0 8 -3,-0.3 4,-1.9 2,-0.2 5,-0.2 0.943 118.1 48.4 -59.5 -50.5 3.6 -13.2 8.0 220 235 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.939 114.3 45.2 -57.7 -49.1 1.0 -10.5 8.8 221 236 A D H < S+ 0 0 76 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.827 110.3 53.9 -68.3 -34.3 -0.9 -12.6 11.3 222 237 A T H < S+ 0 0 94 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.895 122.0 26.9 -65.7 -39.0 2.3 -13.8 13.1 223 238 A Y H < 0 0 84 -4,-1.9 -2,-0.2 -3,-0.2 -1,-0.2 0.584 360.0 360.0-109.5 -10.6 3.6 -10.3 13.7 224 239 A A < 0 0 58 -4,-2.4 -190,-0.2 -5,-0.2 -1,-0.1 0.862 360.0 360.0 -64.2 360.0 0.6 -8.0 13.8 225 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 226 1 C G 0 0 40 0, 0.0 -28,-0.2 0, 0.0 -29,-0.1 0.000 360.0 360.0 360.0 81.0 10.4 -1.9 -4.9 227 2 C G 0 0 28 -31,-0.5 -30,-0.3 -30,-0.2 -31,-0.1 0.416 360.0 360.0-136.0 -63.1 8.3 0.6 -6.5 228 3 C R 0 0 8 -32,-0.7 -48,-2.2 -51,-0.1 -50,-2.1 0.269 360.0 360.0-164.9 360.0 6.3 3.1 -5.9