==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-FEB-06 2G5V . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR A.D.KLINE,S.L.BRIGGS,S.SUBRAMANIAM . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9181.0 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 . 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 . 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 . 15 6.7 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 . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 7 A I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 122.8 -13.6 51.9 5.1 2 8 A V B +A 171 0A 9 169,-3.3 169,-2.0 1,-0.2 123,-0.1 -0.879 360.0 6.8-105.9 133.1 -14.7 53.9 2.0 3 9 A G S S+ 0 0 36 121,-0.6 -1,-0.2 -2,-0.4 167,-0.1 0.680 104.9 118.4 74.4 17.0 -18.2 53.7 0.8 4 10 A G - 0 0 32 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.005 56.9-117.9 -96.0-155.4 -19.3 51.8 3.9 5 11 A Y E -B 137 0B 105 132,-2.3 132,-3.4 -3,-0.1 2,-0.6 -0.954 33.5 -83.8-146.3 161.9 -21.7 52.5 6.7 6 12 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.584 38.0-151.7 -69.8 116.1 -21.7 52.9 10.4 7 13 A a - 0 0 18 128,-1.8 -1,-0.2 -2,-0.6 129,-0.1 0.915 37.3-109.7 -54.4 -50.8 -21.9 49.4 11.8 8 14 A G > - 0 0 25 127,-0.5 3,-1.9 -3,-0.1 4,-0.3 -0.087 49.2 -56.9 119.9 138.4 -23.6 50.3 15.0 9 15 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.198 118.5 -11.6 -52.0 121.9 -22.1 50.2 18.4 10 16 A N T 3 S+ 0 0 28 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.685 89.8 130.0 61.2 24.1 -20.6 46.7 19.3 11 17 A T S < S+ 0 0 90 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.547 75.6 48.3 -81.7 -7.7 -22.3 45.0 16.3 12 18 A V S > S+ 0 0 4 -4,-0.3 3,-2.0 87,-0.1 -1,-0.3 -0.661 73.3 175.1-130.4 71.8 -18.9 43.5 15.5 13 19 A P T 3 S+ 0 0 31 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.584 74.3 56.7 -56.6 -16.3 -17.8 42.2 18.9 14 20 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.3 88,-0.1 2,-0.3 0.516 81.1 108.3 -94.8 -7.6 -14.7 40.5 17.7 15 21 A Q E < -J 28 0C 5 -3,-2.0 36,-0.4 13,-0.2 37,-0.4 -0.547 50.0-172.4 -73.7 129.6 -13.3 43.8 16.2 16 22 A V E -J 27 0C 2 11,-2.4 11,-1.2 -2,-0.3 2,-0.5 -0.847 18.6-140.0-121.2 156.7 -10.3 45.2 18.2 17 23 A S E -JK 26 49C 1 32,-2.1 32,-2.5 -2,-0.3 2,-0.6 -0.973 14.3-143.6-114.7 129.7 -8.4 48.4 17.9 18 24 A L E -JK 25 48C 0 7,-3.2 6,-2.3 -2,-0.5 7,-0.9 -0.860 23.1-168.0 -94.4 126.1 -4.6 48.3 18.4 19 25 A N E +JK 23 47C 23 28,-2.8 28,-2.2 -2,-0.6 4,-0.2 -0.960 29.6 167.1-123.2 129.2 -3.4 51.4 20.2 20 26 A S S S- 0 0 28 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.288 97.6 -46.2-128.3 43.4 0.1 52.7 20.8 21 27 A G S S+ 0 0 68 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.209 140.4 26.0 107.5 -8.2 -1.0 56.1 22.0 22 28 A Y S S- 0 0 131 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.936 103.0 -78.4-171.6 159.7 -3.4 56.2 19.1 23 29 A H E +J 19 0C 39 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.569 52.4 157.0 -71.3 128.7 -5.4 53.8 16.9 24 30 A F E + 0 0 34 -6,-2.3 2,-0.3 1,-0.4 151,-0.2 0.513 59.3 1.7-129.5 -12.2 -3.0 52.4 14.3 25 31 A b E -J 18 0C 6 -7,-0.9 -7,-3.2 151,-0.1 -1,-0.4 -0.981 61.5-121.2-168.2 162.3 -4.5 49.1 13.2 26 32 A G E +J 17 0C 1 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.449 27.2 178.2-102.3-179.8 -7.4 46.7 13.6 27 33 A G E -J 16 0C 0 -11,-1.2 -11,-2.4 -2,-0.2 2,-0.4 -0.959 23.9-115.1-168.7 174.9 -7.4 43.1 14.7 28 34 A S E -JL 15 36C 0 8,-2.4 8,-2.8 -2,-0.3 2,-0.5 -0.992 18.9-131.5-131.5 131.5 -9.7 40.2 15.5 29 35 A L E + L 0 35C 0 -15,-2.3 74,-2.4 -2,-0.4 6,-0.2 -0.683 26.2 173.5 -79.3 120.9 -10.3 38.4 18.9 30 36 A I E - 0 0 21 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.584 68.7 -12.7-104.6 -13.7 -10.0 34.6 18.3 31 37 A N E > S- L 0 34C 51 3,-1.2 3,-0.9 70,-0.1 -1,-0.4 -0.939 88.1 -77.2-169.4 172.7 -10.3 33.6 22.0 32 38 A S T 3 S+ 0 0 35 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.692 128.4 32.3 -56.7 -18.8 -10.1 35.3 25.4 33 39 A Q T 3 S+ 0 0 82 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.502 110.4 66.5-117.2 -4.6 -6.3 35.5 25.2 34 40 A W E < -LM 31 89C 5 -3,-0.9 -4,-2.4 55,-0.2 -3,-1.2 -0.953 47.2-171.3-132.4 144.2 -5.4 36.0 21.5 35 41 A V E -LM 29 88C 0 53,-2.5 53,-2.6 -2,-0.4 2,-0.5 -0.957 14.1-147.5-125.9 140.8 -5.8 38.5 18.7 36 42 A V E +LM 28 87C 0 -8,-2.8 -8,-2.4 -2,-0.4 2,-0.2 -0.923 32.6 147.2-108.3 132.8 -5.1 38.0 15.0 37 43 A S E - M 0 86C 0 49,-2.7 49,-2.3 -2,-0.5 2,-0.3 -0.751 49.3 -66.6-145.0-168.6 -3.8 41.0 13.0 38 44 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.706 31.9-133.0 -91.9 142.4 -1.6 41.8 10.1 39 45 A A G > S+ 0 0 3 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.833 106.9 63.8 -61.4 -31.5 2.2 41.4 10.3 40 46 A H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.596 93.3 64.5 -71.4 -4.3 2.7 44.9 8.8 41 47 A b G < S+ 0 0 4 -3,-1.8 -1,-0.3 -15,-0.0 -2,-0.2 0.406 75.8 131.7 -92.7 -0.4 1.0 46.2 11.9 42 48 A Y < + 0 0 131 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.0 -0.255 22.9 136.5 -57.9 138.4 3.8 44.9 14.1 43 49 A K - 0 0 64 3,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.950 50.7 -98.4-170.8 163.0 5.2 47.4 16.6 44 50 A S S S+ 0 0 90 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.492 96.0 35.0 -88.5 163.8 6.3 47.5 20.3 45 51 A G S S+ 0 0 68 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.894 75.4 174.5 61.7 47.0 4.1 48.8 23.1 46 52 A I - 0 0 10 -3,-0.3 21,-2.4 21,-0.1 2,-0.5 -0.689 16.8-166.5 -89.8 133.5 0.7 47.6 21.8 47 53 A Q E -KN 19 66C 51 -28,-2.2 -28,-2.8 -2,-0.4 2,-0.5 -0.981 16.2-140.2-116.5 127.3 -2.4 47.9 23.9 48 54 A V E -KN 18 65C 0 17,-3.3 17,-2.8 -2,-0.5 2,-0.6 -0.748 12.9-160.0 -89.5 130.6 -5.4 45.9 22.7 49 55 A R E -KN 17 64C 50 -32,-2.5 -32,-2.1 -2,-0.5 3,-0.3 -0.938 12.4-177.3-116.7 113.8 -8.7 47.7 23.0 50 56 A L E + N 0 63C 2 13,-2.9 13,-1.8 -2,-0.6 -34,-0.1 -0.673 60.2 31.2-106.0 160.8 -11.9 45.6 23.0 51 57 A G S S+ 0 0 6 -36,-0.4 10,-0.3 48,-0.3 2,-0.2 0.743 85.2 156.1 65.9 26.0 -15.5 46.5 23.0 52 58 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.544 23.1 149.5 -88.9 145.9 -14.9 49.7 21.1 53 59 A D S S+ 0 0 13 1,-0.3 2,-0.9 4,-0.3 -1,-0.1 0.306 80.5 31.5-129.0 -80.9 -17.2 51.8 19.0 54 60 A N S > S- 0 0 28 80,-0.2 3,-1.3 3,-0.2 -1,-0.3 -0.718 73.3-160.7 -81.3 109.5 -16.1 55.5 19.2 55 61 A I T 3 S+ 0 0 29 78,-2.6 -1,-0.2 -2,-0.9 79,-0.1 0.565 85.5 54.1 -70.4 -5.8 -12.3 55.1 19.7 56 62 A N T 3 S+ 0 0 125 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.447 104.4 57.0-105.0 -1.3 -12.0 58.6 21.1 57 63 A V S < S- 0 0 76 -3,-1.3 2,-0.9 76,-0.2 -4,-0.3 -0.995 77.8-128.7-134.2 131.0 -14.6 58.4 23.9 58 64 A V + 0 0 110 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.675 32.2 174.3 -77.5 108.3 -14.9 55.9 26.8 59 65 A E - 0 0 102 -2,-0.9 -1,-0.2 -5,-0.2 -7,-0.0 0.605 49.7-100.8 -93.4 -14.5 -18.5 54.7 26.4 60 66 A G S S+ 0 0 59 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.314 103.2 76.3 117.5 -11.5 -18.5 52.0 29.1 61 67 A N + 0 0 60 -10,-0.3 2,-0.1 38,-0.0 38,-0.0 0.262 68.6 116.5-115.9 12.7 -18.1 48.6 27.4 62 68 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.375 44.0-162.5 -83.9 159.2 -14.3 48.7 26.7 63 69 A Q E -N 50 0C 37 -13,-1.8 -13,-2.9 -2,-0.1 2,-0.6 -0.980 6.6-160.8-139.1 121.4 -11.5 46.6 27.9 64 70 A F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.940 18.9 169.9-107.4 117.2 -7.9 47.9 27.6 65 71 A I E -N 48 0C 14 -17,-2.8 -17,-3.3 -2,-0.6 2,-0.1 -0.990 28.8-128.5-134.3 128.4 -5.3 45.1 27.8 66 72 A S E -N 47 0C 56 -2,-0.4 25,-3.0 -19,-0.3 26,-0.3 -0.378 28.6-113.0 -71.7 149.8 -1.6 45.3 27.1 67 73 A A E -O 90 0C 24 -21,-2.4 23,-0.3 23,-0.2 3,-0.1 -0.660 23.1-169.1 -82.4 137.9 -0.0 42.8 24.8 68 74 A S E S+ 0 0 67 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.722 72.4 7.5 -96.4 -28.0 2.4 40.4 26.5 69 75 A K E -O 89 0C 90 20,-1.1 20,-2.8 2,-0.0 2,-0.4 -0.992 57.8-157.9-155.1 146.6 3.8 38.9 23.3 70 76 A S E -O 88 0C 39 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.990 8.3-167.0-126.7 135.4 3.6 39.5 19.5 71 77 A I E -O 87 0C 35 16,-3.0 16,-2.5 -2,-0.4 2,-0.3 -0.920 4.5-160.7-129.2 105.9 4.4 36.7 17.0 72 78 A V E -O 86 0C 49 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.619 40.9 -91.0 -81.6 142.2 4.8 37.7 13.4 73 79 A H > - 0 0 23 12,-2.2 3,-1.9 -2,-0.3 -1,-0.1 -0.262 33.5-125.9 -53.0 135.5 4.5 34.8 10.9 74 80 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.801 108.4 44.7 -54.6 -31.2 7.9 33.2 10.3 75 81 A S T 3 S+ 0 0 72 8,-0.1 -2,-0.1 2,-0.1 7,-0.1 0.296 78.2 138.1 -99.2 9.7 7.6 33.7 6.5 76 82 A Y < - 0 0 54 -3,-1.9 2,-0.6 9,-0.1 7,-0.2 -0.343 35.7-163.0 -58.0 129.2 6.3 37.2 6.5 77 83 A N B >> -P 82 0D 71 5,-2.1 4,-2.5 1,-0.1 5,-0.6 -0.954 7.6-163.6-117.3 109.7 8.0 39.2 3.7 78 84 A S T 45S+ 0 0 78 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.722 86.3 60.2 -66.2 -21.5 7.5 43.0 4.3 79 85 A N T 45S+ 0 0 148 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.919 124.1 17.4 -71.7 -42.7 8.5 43.8 0.7 80 86 A T T 45S- 0 0 76 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.541 96.2-128.5-105.0 -12.9 5.7 41.8 -0.9 81 87 A L T ><5 + 0 0 33 -4,-2.5 3,-0.9 1,-0.3 2,-0.2 0.651 50.1 160.5 68.1 18.4 3.4 41.4 2.1 82 88 A N B 3 < +P 77 0D 37 -5,-0.6 -5,-2.1 1,-0.3 -1,-0.3 -0.539 67.9 16.5 -70.3 135.1 3.3 37.7 1.5 83 89 A N T 3 S+ 0 0 17 -2,-0.2 2,-2.0 -7,-0.2 -1,-0.3 0.909 80.7 179.6 67.1 45.7 2.1 36.0 4.8 84 90 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.509 35.0 113.4 -80.7 76.2 0.8 39.2 6.3 85 91 A I + 0 0 0 -2,-2.0 -12,-2.2 -47,-0.3 2,-0.3 -0.996 36.2 176.6-148.8 146.6 -0.4 37.8 9.6 86 92 A M E -MO 37 72C 0 -49,-2.3 -49,-2.7 -2,-0.3 2,-0.4 -0.990 19.4-137.9-150.0 149.2 0.6 38.1 13.2 87 93 A L E -MO 36 71C 0 -16,-2.5 -16,-3.0 -2,-0.3 2,-0.4 -0.889 13.3-163.6-111.3 143.7 -0.7 36.9 16.6 88 94 A I E -MO 35 70C 0 -53,-2.6 -53,-2.5 -2,-0.4 2,-0.4 -0.991 7.1-151.3-129.6 124.3 -0.9 39.0 19.7 89 95 A K E -MO 34 69C 29 -20,-2.8 -21,-2.8 -2,-0.4 -20,-1.1 -0.808 18.1-128.5 -96.8 136.2 -1.3 37.5 23.2 90 96 A L E - O 0 67C 3 -57,-2.7 -23,-0.2 -2,-0.4 -24,-0.1 -0.595 10.9-132.0 -82.0 141.7 -3.1 39.6 25.9 91 97 A K S S+ 0 0 138 -25,-3.0 2,-0.3 -2,-0.3 -1,-0.1 0.830 96.4 18.8 -60.7 -32.8 -1.4 40.1 29.2 92 98 A S S S- 0 0 67 -26,-0.3 -1,-0.1 -60,-0.1 2,-0.1 -0.979 97.9 -95.2-137.7 148.2 -4.6 39.1 30.9 93 99 A A - 0 0 52 -2,-0.3 -60,-0.2 1,-0.1 -61,-0.1 -0.388 41.4-119.7 -65.3 137.7 -7.6 37.2 29.5 94 100 A A - 0 0 7 -62,-2.9 2,-0.8 -63,-0.1 -1,-0.1 -0.402 23.5-114.4 -74.1 154.4 -10.4 39.4 28.3 95 101 A S - 0 0 80 -2,-0.1 2,-0.3 6,-0.0 -1,-0.1 -0.841 34.8-137.8 -92.3 111.3 -13.8 39.1 29.9 96 102 A L + 0 0 92 -2,-0.8 2,-0.2 3,-0.1 5,-0.2 -0.529 40.5 139.3 -76.2 133.1 -16.1 37.7 27.2 97 103 A N B > -Q 100 0E 51 3,-2.1 3,-0.8 -2,-0.3 0, 0.0 -0.844 68.7 -69.9-153.1-173.4 -19.6 39.2 26.9 98 104 A S T 3 S+ 0 0 95 1,-0.2 3,-0.2 -2,-0.2 -2,-0.0 0.782 133.5 41.3 -60.4 -26.2 -22.1 40.2 24.1 99 105 A R T 3 S+ 0 0 67 1,-0.2 2,-0.4 -87,-0.1 -48,-0.3 0.531 118.0 46.8 -98.1 -10.2 -19.8 43.2 23.2 100 106 A V B < S+Q 97 0E 0 -3,-0.8 -3,-2.1 -50,-0.1 2,-0.3 -0.861 78.0 145.1-134.9 96.2 -16.5 41.4 23.5 101 107 A A - 0 0 31 -88,-1.3 -72,-0.3 -2,-0.4 2,-0.2 -0.940 43.5-113.9-135.3 156.2 -16.6 38.0 21.7 102 108 A S - 0 0 57 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.3 -0.488 21.0-136.5 -87.4 158.1 -14.3 35.8 19.7 103 109 A I - 0 0 14 -74,-2.4 83,-0.1 -89,-0.2 2,-0.1 -0.937 26.6-115.7-113.6 136.6 -14.7 35.0 16.0 104 110 A S B -c 186 0B 50 81,-0.6 83,-2.4 -2,-0.4 -73,-0.1 -0.382 23.1-120.2 -74.1 149.5 -14.2 31.4 14.8 105 111 A L - 0 0 25 81,-0.2 83,-0.1 -75,-0.1 -1,-0.1 -0.526 37.2 -98.6 -83.5 154.1 -11.4 30.4 12.5 106 112 A P - 0 0 1 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.343 18.4-160.0 -73.2 155.4 -12.3 28.7 9.2 107 113 A T S S+ 0 0 131 1,-0.3 2,-0.3 -2,-0.0 -2,-0.0 0.394 83.6 12.4-108.9 -5.4 -12.2 25.0 8.7 108 114 A S S S- 0 0 79 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.967 91.4 -88.0-163.5 159.1 -12.0 25.5 4.9 109 115 A c - 0 0 69 -2,-0.3 2,-0.1 -3,-0.1 79,-0.0 -0.487 42.0-118.1 -77.8 144.9 -11.4 28.3 2.4 110 116 A A - 0 0 35 -2,-0.2 2,-0.2 78,-0.1 -1,-0.1 -0.465 28.2-122.1 -79.7 153.7 -14.3 30.4 1.2 111 117 A S > - 0 0 78 -2,-0.1 3,-1.6 1,-0.1 31,-0.3 -0.515 32.6 -85.2 -94.7 163.7 -15.2 30.5 -2.5 112 118 A A T 3 S+ 0 0 59 1,-0.2 31,-0.2 -2,-0.2 -1,-0.1 -0.350 114.1 34.9 -63.2 144.7 -15.4 33.4 -4.9 113 119 A G T 3 S+ 0 0 54 29,-3.0 -1,-0.2 1,-0.3 2,-0.2 0.160 81.8 134.3 95.8 -19.7 -18.7 35.2 -4.8 114 120 A T < - 0 0 30 -3,-1.6 28,-2.1 27,-0.1 -1,-0.3 -0.453 56.2-126.4 -66.9 132.7 -19.2 34.7 -1.0 115 121 A Q E -D 141 0B 82 26,-0.2 69,-0.5 -2,-0.2 2,-0.3 -0.627 33.0-176.7 -83.0 137.4 -20.3 37.9 0.7 116 122 A d E -D 140 0B 4 24,-2.4 24,-2.2 -2,-0.3 2,-0.5 -0.850 26.0-122.1-130.9 167.5 -18.2 39.0 3.7 117 123 A L E -DE 139 182B 41 65,-2.8 65,-2.5 -2,-0.3 2,-0.4 -0.957 25.2-172.7-114.1 120.9 -18.2 41.8 6.3 118 124 A I E +DE 138 181B 0 20,-2.9 20,-1.7 -2,-0.5 2,-0.3 -0.926 11.5 177.1-113.0 136.7 -15.2 44.0 6.5 119 125 A S E +D 137 0B 0 61,-1.3 2,-0.3 -2,-0.4 18,-0.2 -0.959 11.1 117.2-142.4 159.6 -14.8 46.5 9.3 120 126 A G E -D 136 0B 0 16,-1.9 16,-2.1 -2,-0.3 56,-0.2 -0.953 58.9 -98.0 166.0 176.3 -12.4 49.1 10.8 121 127 A W S S+ 0 0 3 54,-0.6 55,-0.1 -2,-0.3 3,-0.1 -0.005 71.7 130.2-108.8 24.3 -11.6 52.7 11.7 122 128 A G S S- 0 0 0 1,-0.2 53,-0.3 14,-0.1 52,-0.1 -0.106 70.2 -58.4 -73.4 176.3 -9.6 53.5 8.6 123 129 A N - 0 0 9 51,-2.9 8,-0.2 8,-0.2 -1,-0.2 -0.188 39.7-157.1 -54.0 143.2 -10.0 56.6 6.3 124 130 A T + 0 0 38 6,-2.5 -121,-0.6 -3,-0.1 2,-0.4 0.320 63.8 90.3-106.7 6.2 -13.4 56.9 4.8 125 131 A K - 0 0 97 5,-0.3 3,-0.2 3,-0.2 5,-0.1 -0.880 55.2-161.6-110.6 136.4 -12.4 59.0 1.8 126 132 A S S S+ 0 0 50 -2,-0.4 2,-0.5 1,-0.3 71,-0.4 0.876 94.3 27.7 -75.6 -40.3 -11.3 57.7 -1.6 127 133 A S S S+ 0 0 116 69,-0.1 -1,-0.3 2,-0.0 2,-0.3 -0.948 128.2 0.8-126.2 108.0 -9.7 61.0 -2.4 128 134 A G S S- 0 0 52 -2,-0.5 2,-0.3 -3,-0.2 -3,-0.2 -0.829 90.9 -69.0 116.5-156.7 -8.4 63.0 0.5 129 135 A T + 0 0 101 -2,-0.3 2,-0.2 -5,-0.1 -3,-0.1 -0.981 45.7 149.0-149.4 134.5 -8.5 62.2 4.2 130 136 A S - 0 0 49 -2,-0.3 -6,-2.5 -5,-0.1 -5,-0.3 -0.808 23.8-156.6-161.9 114.0 -11.1 61.8 7.0 131 137 A Y - 0 0 128 -2,-0.2 -8,-0.2 -8,-0.2 -9,-0.1 -0.852 15.2-139.3-101.7 124.6 -10.9 59.4 9.9 132 138 A P - 0 0 19 0, 0.0 -77,-0.1 0, 0.0 4,-0.1 -0.290 7.6-149.3 -76.4 161.3 -14.1 58.3 11.7 133 139 A D S S+ 0 0 73 -79,-0.1 -78,-2.6 2,-0.1 2,-0.2 0.755 81.2 59.2 -97.9 -34.1 -14.5 57.9 15.4 134 140 A V S S- 0 0 34 -80,-0.3 -80,-0.2 -79,-0.1 2,-0.1 -0.614 99.7 -86.1 -98.0 157.0 -17.0 55.1 15.2 135 141 A L - 0 0 2 -2,-0.2 -128,-1.8 -129,-0.1 -127,-0.5 -0.355 41.4-151.3 -64.5 132.1 -16.6 51.6 13.6 136 142 A K E -BD 6 120B 39 -16,-2.1 -16,-1.9 -130,-0.2 2,-0.3 -0.779 8.3-157.6-106.1 150.0 -17.4 51.5 9.9 137 143 A a E -BD 5 119B 3 -132,-3.4 -132,-2.3 -2,-0.3 2,-0.3 -0.877 9.6-174.0-126.1 156.6 -18.7 48.4 8.0 138 144 A L E - D 0 118B 4 -20,-1.7 -20,-2.9 -2,-0.3 2,-0.5 -0.938 15.5-148.2-153.7 126.6 -18.7 47.2 4.4 139 145 A K E + D 0 117B 118 -2,-0.3 -22,-0.2 -22,-0.2 -24,-0.0 -0.845 33.4 162.3 -95.1 126.5 -20.3 44.2 2.8 140 146 A A E - D 0 116B 0 -24,-2.2 -24,-2.4 -2,-0.5 2,-0.2 -0.999 33.3-123.8-148.3 144.3 -18.2 42.9 -0.1 141 147 A P E - D 0 115B 25 0, 0.0 23,-2.0 0, 0.0 2,-0.3 -0.562 31.6-108.3 -87.5 150.4 -17.9 39.7 -2.2 142 148 A I B -F 163 0B 14 -28,-2.1 -29,-3.0 -31,-0.3 21,-0.3 -0.607 40.2-135.8 -73.5 133.1 -14.8 37.7 -2.6 143 149 A L - 0 0 26 19,-2.6 19,-0.4 -2,-0.3 -29,-0.1 -0.542 24.1 -91.0 -91.4 159.3 -13.5 38.2 -6.1 144 150 A S > - 0 0 46 -2,-0.2 4,-1.9 1,-0.1 -1,-0.1 -0.298 33.1-121.7 -62.7 151.5 -12.2 35.5 -8.5 145 151 A D H > S+ 0 0 75 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.844 112.8 59.0 -65.8 -30.9 -8.5 34.9 -8.3 146 152 A S H > S+ 0 0 81 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.928 107.7 44.0 -63.1 -44.8 -8.3 35.7 -12.0 147 153 A S H > S+ 0 0 24 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.853 114.8 51.4 -68.1 -33.0 -9.8 39.1 -11.4 148 154 A e H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 3,-0.4 0.961 113.0 42.6 -66.7 -52.5 -7.5 39.6 -8.4 149 155 A K H < S+ 0 0 107 -4,-3.2 6,-0.2 1,-0.2 -2,-0.2 0.758 110.6 57.3 -66.8 -26.3 -4.3 38.7 -10.2 150 156 A S H < S+ 0 0 94 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.824 107.3 48.6 -73.5 -31.1 -5.3 40.7 -13.3 151 157 A A H < S+ 0 0 9 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.831 124.6 29.6 -76.4 -34.1 -5.6 43.8 -11.1 152 158 A Y S >X S- 0 0 5 -4,-1.6 3,-2.0 -5,-0.1 4,-0.8 -0.593 85.8-157.3-128.0 70.9 -2.2 43.2 -9.5 153 159 A P T 34 S- 0 0 96 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.199 77.3 -0.7 -50.3 127.0 -0.0 41.4 -12.0 154 160 A G T 34 S+ 0 0 92 -5,-0.2 -4,-0.1 2,-0.1 -5,-0.1 0.669 116.5 85.8 65.2 19.7 2.8 39.5 -10.4 155 161 A Q T <4 + 0 0 106 -3,-2.0 2,-0.5 -6,-0.2 -1,-0.1 0.551 62.6 88.6-123.3 -15.6 1.8 40.6 -6.9 156 162 A I < - 0 0 21 -4,-0.8 2,-0.2 -7,-0.1 -2,-0.1 -0.766 52.3-174.1 -94.8 128.2 -0.8 38.1 -5.7 157 163 A T > - 0 0 39 -2,-0.5 3,-1.7 -3,-0.0 -2,-0.0 -0.580 44.9 -96.7-108.8 174.3 0.2 34.9 -4.0 158 164 A S T 3 S+ 0 0 81 1,-0.3 53,-0.1 -2,-0.2 -2,-0.0 0.623 121.8 65.0 -66.4 -10.8 -1.8 31.9 -2.8 159 165 A N T 3 S+ 0 0 26 48,-0.1 49,-2.5 51,-0.0 2,-0.3 0.196 98.2 64.8 -97.2 15.9 -1.9 33.5 0.6 160 166 A M E < - G 0 207B 3 -3,-1.7 2,-0.3 47,-0.3 47,-0.2 -0.956 54.4-179.5-137.0 153.8 -3.9 36.5 -0.6 161 167 A F E - G 0 206B 11 45,-1.9 45,-3.2 -2,-0.3 2,-0.3 -0.977 21.4-127.8-148.6 155.4 -7.4 37.1 -2.0 162 168 A e E + G 0 205B 0 -19,-0.4 -19,-2.6 -2,-0.3 2,-0.3 -0.790 23.1 177.6-106.7 152.4 -9.3 40.1 -3.2 163 169 A A E +FG 142 204B 0 41,-1.5 41,-1.2 -2,-0.3 2,-0.3 -0.987 37.4 54.8-149.5 146.7 -12.7 41.3 -2.2 164 170 A G S S- 0 0 2 -23,-2.0 2,-0.4 -2,-0.3 7,-0.1 -0.962 83.8 -44.1 135.2-151.1 -14.7 44.4 -3.1 165 171 A Y > - 0 0 57 5,-0.8 3,-1.4 -2,-0.3 37,-0.3 -0.987 26.8-152.2-130.4 126.5 -16.0 46.0 -6.2 166 172 A L T 3 S+ 0 0 58 -2,-0.4 35,-3.5 1,-0.3 36,-0.2 0.731 96.1 66.2 -66.5 -21.8 -14.1 46.6 -9.5 167 173 A E T 3 S- 0 0 141 33,-0.2 -1,-0.3 1,-0.2 33,-0.2 0.680 105.4-132.4 -74.0 -16.1 -16.2 49.6 -10.3 168 174 A G S < S+ 0 0 17 -3,-1.4 31,-0.2 31,-0.2 -1,-0.2 -0.149 72.5 99.8 89.4 171.9 -14.8 51.4 -7.2 169 175 A G S S+ 0 0 38 29,-1.9 2,-0.4 28,-0.1 30,-0.1 0.037 78.4 70.4 100.2 -27.6 -16.4 53.3 -4.4 170 176 A K + 0 0 88 -5,-0.3 -5,-0.8 29,-0.1 2,-0.3 -0.986 61.5 112.8-129.1 125.1 -16.3 50.6 -1.8 171 177 A D B -A 2 0A 6 -169,-2.0 -169,-3.3 -2,-0.4 -167,-0.1 -0.976 59.6 -97.4-176.4 164.1 -13.1 49.3 -0.2 172 178 A S + 0 0 7 -2,-0.3 26,-0.3 -171,-0.2 2,-0.2 -0.408 49.5 178.5 -85.1 172.8 -11.1 49.0 3.1 173 179 A f > - 0 0 10 -2,-0.1 3,-2.6 24,-0.1 4,-0.5 -0.847 33.7 -25.6-157.6-167.9 -8.3 51.6 3.5 174 180 A Q T 3 S+ 0 0 128 1,-0.3 -51,-2.9 -2,-0.2 -149,-0.1 -0.342 125.2 26.1 -55.2 121.2 -5.5 53.2 5.6 175 181 A G T 3 S+ 0 0 17 -53,-0.3 -54,-0.6 -151,-0.2 -1,-0.3 0.130 102.5 82.5 109.0 -20.0 -6.3 52.4 9.2 176 182 A D X + 0 0 0 -3,-2.6 3,-2.3 -56,-0.2 15,-0.3 0.597 61.6 128.6 -89.5 -14.0 -8.3 49.3 8.6 177 183 A S T 3 S+ 0 0 19 -4,-0.5 -151,-3.1 1,-0.3 15,-0.2 -0.074 71.4 21.1 -44.1 135.9 -5.1 47.2 8.3 178 184 A G T 3 S+ 0 0 0 13,-2.8 -1,-0.3 1,-0.3 -150,-0.1 0.222 98.5 128.2 87.7 -14.7 -5.1 44.1 10.4 179 185 A G < - 0 0 0 -3,-2.3 12,-2.3 1,-0.1 -1,-0.3 -0.112 60.0 -83.9 -71.3 170.3 -8.9 44.1 10.7 180 186 A P E - H 0 190B 0 0, 0.0 -61,-1.3 0, 0.0 2,-0.4 -0.394 21.7-169.2 -82.2 149.7 -11.4 41.3 10.0 181 187 A V E -EH 118 189B 0 8,-1.5 8,-2.0 -63,-0.2 7,-1.7 -0.948 24.3-171.2-131.3 102.7 -13.0 40.0 6.8 182 188 A V E +EH 117 187B 15 -65,-2.5 -65,-2.8 -2,-0.4 2,-0.4 -0.880 9.5 179.1-106.6 132.2 -15.7 37.6 8.1 183 189 A d E > S- H 0 186B 2 3,-2.6 3,-1.7 -2,-0.5 -67,-0.2 -0.996 70.8 -11.3-133.6 127.9 -17.7 35.3 5.8 184 190 A S T 3 S- 0 0 107 -69,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.874 130.0 -53.1 52.0 40.9 -20.3 32.9 6.9 185 191 A G T 3 S+ 0 0 42 1,-0.2 -81,-0.6 -79,-0.0 2,-0.4 0.572 117.2 106.4 74.7 10.5 -19.3 33.4 10.5 186 192 A K E < S-cH 104 183B 70 -3,-1.7 -3,-2.6 -83,-0.1 2,-1.2 -0.941 75.7-117.4-125.0 146.0 -15.6 32.6 10.0 187 193 A L E + H 0 182B 0 -83,-2.4 -5,-0.2 -2,-0.4 3,-0.1 -0.672 46.0 158.0 -79.7 97.5 -12.5 34.9 9.9 188 194 A Q E + 0 0 14 -7,-1.7 21,-1.6 -2,-1.2 22,-0.5 0.691 55.7 28.1 -95.8 -21.8 -11.4 34.3 6.3 189 195 A G E -IH 208 181B 0 -8,-2.0 -8,-1.5 19,-0.2 2,-0.4 -0.940 53.2-149.5-143.0 164.4 -9.3 37.5 5.8 190 196 A I E -IH 207 180B 0 17,-0.7 17,-2.2 -2,-0.3 2,-0.3 -0.999 40.9-105.9-129.8 129.7 -7.2 40.2 7.3 191 197 A V E +I 206 0B 4 -12,-2.3 -13,-2.8 -2,-0.4 15,-0.2 -0.405 57.7 153.5 -57.4 116.1 -7.1 43.7 5.8 192 198 A S E - 0 0 3 13,-1.7 2,-0.3 1,-0.3 14,-0.2 0.807 45.5 -46.8-114.4 -64.1 -3.6 43.7 4.2 193 199 A W E +I 205 0B 48 12,-1.9 12,-3.2 -19,-0.0 -1,-0.3 -0.886 44.1 163.6-159.2-169.4 -3.1 46.0 1.2 194 200 A G - 0 0 29 -2,-0.3 2,-0.7 10,-0.2 10,-0.1 -0.946 49.3 -70.4 164.9-178.2 -4.3 47.4 -2.1 195 201 A S S S- 0 0 55 8,-0.4 4,-0.5 -2,-0.3 7,-0.1 -0.905 90.7 -50.0-105.5 111.1 -3.8 50.3 -4.6 196 202 A G S S- 0 0 54 -2,-0.7 2,-0.4 1,-0.1 -69,-0.1 -0.324 92.1 -64.6 60.1-147.2 -5.0 53.5 -3.1 197 203 A f S S- 0 0 12 -71,-0.4 -24,-0.1 -24,-0.1 -1,-0.1 -0.958 103.0 -12.0-145.7 123.2 -8.6 53.2 -1.8 198 204 A A S S+ 0 0 7 -2,-0.4 -29,-1.9 -26,-0.3 2,-0.2 0.777 87.3 158.3 62.3 28.7 -11.8 52.4 -3.6 199 205 A Q > - 0 0 83 -4,-0.5 3,-1.6 3,-0.5 -31,-0.2 -0.509 50.8 -88.3 -82.8 153.0 -10.1 53.0 -6.9 200 206 A K T 3 S- 0 0 152 1,-0.3 -33,-0.2 -33,-0.2 -34,-0.1 -0.347 108.5 -0.2 -62.4 135.4 -11.5 51.5 -10.1 201 207 A N T 3 S+ 0 0 79 -35,-3.5 -1,-0.3 -36,-0.1 -35,-0.1 0.707 108.8 102.7 57.1 24.0 -10.3 48.0 -10.9 202 208 A K < - 0 0 70 -3,-1.6 -3,-0.5 -37,-0.3 -4,-0.3 -0.628 53.1-178.2-135.7 74.5 -8.1 48.0 -7.8 203 209 A P - 0 0 3 0, 0.0 -8,-0.4 0, 0.0 -39,-0.2 -0.167 35.9 -85.4 -69.7 164.6 -9.9 45.9 -5.2 204 210 A G E -G 163 0B 0 -41,-1.2 -41,-1.5 -10,-0.1 2,-0.4 -0.406 37.3-138.3 -72.0 148.8 -8.7 45.3 -1.6 205 211 A V E -GI 162 193B 0 -12,-3.2 -12,-1.9 -43,-0.2 -13,-1.7 -0.928 21.9-169.8-111.3 133.8 -6.2 42.5 -1.0 206 212 A Y E -GI 161 191B 1 -45,-3.2 -45,-1.9 -2,-0.4 2,-0.3 -0.936 29.2-107.5-128.6 146.3 -6.6 40.4 2.1 207 213 A T E -GI 160 190B 3 -17,-2.2 2,-1.5 -2,-0.3 -17,-0.7 -0.530 37.0-124.8 -69.3 130.3 -4.5 37.7 3.9 208 214 A K E > - I 0 189B 39 -49,-2.5 3,-1.8 -2,-0.3 4,-0.3 -0.614 28.1-172.4 -82.7 90.0 -6.1 34.3 3.2 209 215 A V G > S+ 0 0 0 -21,-1.6 3,-2.5 -2,-1.5 4,-0.5 0.772 73.5 71.7 -53.8 -35.3 -6.6 33.1 6.8 210 216 A c G > S+ 0 0 19 -22,-0.5 3,-0.6 1,-0.3 -1,-0.3 0.774 92.6 59.4 -56.9 -24.3 -7.7 29.6 5.9 211 217 A N G < S+ 0 0 71 -3,-1.8 -1,-0.3 1,-0.2 4,-0.2 0.630 108.0 46.3 -77.7 -11.9 -4.0 28.9 4.9 212 218 A Y G <> S+ 0 0 7 -3,-2.5 4,-3.0 -4,-0.3 5,-0.2 0.347 75.0 103.6-113.5 5.4 -2.9 29.7 8.4 213 219 A V H <> S+ 0 0 21 -3,-0.6 4,-2.9 -4,-0.5 5,-0.3 0.902 84.7 48.9 -56.9 -44.0 -5.3 27.9 10.7 214 220 A S H > S+ 0 0 83 -4,-0.3 4,-2.7 1,-0.2 5,-0.3 0.938 114.0 46.6 -61.4 -45.4 -2.8 25.1 11.5 215 221 A W H > S+ 0 0 43 -4,-0.2 4,-2.6 2,-0.2 5,-0.2 0.916 113.8 48.5 -62.3 -44.7 -0.1 27.7 12.3 216 222 A I H X S+ 0 0 2 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.960 114.3 44.8 -60.9 -51.8 -2.5 29.8 14.4 217 223 A K H X S+ 0 0 129 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.915 116.9 44.6 -60.2 -45.3 -3.8 26.8 16.4 218 224 A Q H X S+ 0 0 131 -4,-2.7 4,-1.0 -5,-0.3 -1,-0.2 0.906 114.5 49.1 -68.0 -40.0 -0.3 25.3 17.0 219 225 A T H < S+ 0 0 20 -4,-2.6 3,-0.5 -5,-0.3 4,-0.5 0.922 112.3 46.9 -66.4 -44.8 1.2 28.7 17.9 220 226 A I H >< S+ 0 0 26 -4,-2.7 3,-1.0 -5,-0.2 -1,-0.2 0.909 110.9 53.0 -63.6 -40.5 -1.5 29.6 20.4 221 227 A A H 3< S+ 0 0 82 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.714 112.5 45.0 -67.5 -21.3 -1.3 26.2 22.0 222 228 A S T 3< 0 0 98 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.381 360.0 360.0-104.0 3.7 2.5 26.5 22.5 223 229 A N < 0 0 81 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.1 0.241 360.0 360.0-135.4 360.0 2.5 30.1 23.8