==== 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 KINASE 07-APR-99 1QF9 . COMPND 2 MOLECULE: PROTEIN . SOURCE 2 ORGANISM_SCIENTIFIC: DICTYOSTELIUM DISCOIDEUM; . AUTHOR I.SCHLICHTING,J.REINSTEIN . 194 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10200.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 78.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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-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 . 17 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 45.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.1 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 0 0 1 2 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 1 A M 0 0 223 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -32.8 74.9 68.0 -7.7 2 2 A E - 0 0 176 1,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.557 360.0 -96.1 -52.6 146.3 73.5 70.1 -10.4 3 3 A K - 0 0 189 -2,-0.2 2,-0.1 1,-0.1 -1,-0.0 -0.678 35.8-121.4 -82.1 128.6 69.8 70.2 -9.5 4 4 A S - 0 0 111 -2,-0.4 79,-0.3 1,-0.1 3,-0.1 -0.386 25.6-118.9 -65.0 136.6 67.6 67.6 -11.2 5 5 A K - 0 0 106 1,-0.1 104,-0.2 77,-0.1 -1,-0.1 -0.465 44.6 -87.6 -70.1 150.7 64.7 69.1 -13.2 6 6 A P - 0 0 24 0, 0.0 104,-2.8 0, 0.0 2,-0.4 -0.352 31.4-125.5 -62.9 143.8 61.3 68.0 -12.0 7 7 A N E -a 110 0A 36 102,-0.2 79,-2.7 -3,-0.1 2,-0.4 -0.727 29.6-160.8 -74.9 136.5 59.5 64.8 -13.1 8 8 A V E -ab 111 86A 0 102,-2.3 104,-3.3 -2,-0.4 105,-0.6 -0.984 13.1-169.7-124.1 132.5 56.0 65.6 -14.4 9 9 A V E -ab 113 87A 0 77,-2.3 79,-2.4 -2,-0.4 2,-0.4 -0.998 17.8-142.6-115.2 119.7 53.1 63.2 -14.9 10 10 A F E -ab 114 88A 0 103,-1.7 105,-3.5 -2,-0.5 2,-0.6 -0.719 13.6-154.4 -71.7 131.7 50.1 64.5 -16.8 11 11 A V E +ab 115 89A 0 77,-2.8 79,-3.1 -2,-0.4 80,-0.4 -0.950 23.5 167.8-116.6 110.5 46.9 63.2 -15.3 12 12 A L E +a 116 0A 1 103,-2.8 105,-2.6 -2,-0.6 2,-0.2 -0.729 11.3 123.7-127.9 174.9 44.0 63.0 -17.8 13 13 A G E -a 117 0A 1 103,-0.2 105,-0.1 -2,-0.2 3,-0.1 -0.811 59.9 -60.9 146.1 157.0 40.6 61.5 -18.0 14 14 A G S > S- 0 0 1 103,-0.6 3,-1.9 -2,-0.2 5,-0.3 -0.094 75.9 -63.2 -62.8 172.0 37.0 62.7 -18.7 15 15 A P T 3 S+ 0 0 3 0, 0.0 -1,-0.2 0, 0.0 113,-0.2 -0.391 125.5 4.6 -55.8 120.8 35.2 65.3 -16.5 16 16 A G T 3 S+ 0 0 13 -2,-0.2 111,-0.1 -3,-0.1 -2,-0.1 0.662 84.2 134.7 77.3 15.7 34.8 63.8 -13.0 17 17 A S S < S- 0 0 2 -3,-1.9 -1,-0.1 100,-0.1 -3,-0.1 0.638 82.8 -98.4 -72.6 -12.7 36.8 60.6 -13.8 18 18 A G S > S+ 0 0 17 -4,-0.2 4,-2.2 -5,-0.1 5,-0.2 0.697 76.5 140.9 107.7 28.0 38.5 61.2 -10.4 19 19 A K H > S+ 0 0 14 -5,-0.3 4,-2.5 2,-0.2 5,-0.2 0.948 78.3 43.0 -66.2 -48.7 41.8 62.9 -11.3 20 20 A G H > S+ 0 0 34 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.930 112.9 53.7 -64.2 -41.4 41.7 65.3 -8.3 21 21 A T H > S+ 0 0 83 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.914 114.6 39.9 -59.0 -46.0 40.6 62.5 -5.9 22 22 A Q H X S+ 0 0 7 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.847 109.8 59.6 -76.9 -32.3 43.5 60.2 -6.9 23 23 A C H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.890 100.7 56.1 -63.3 -35.6 46.1 63.1 -7.1 24 24 A A H X S+ 0 0 55 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.911 106.4 50.7 -62.7 -38.7 45.4 63.9 -3.4 25 25 A N H X S+ 0 0 25 -4,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.902 110.0 49.8 -64.0 -40.6 46.3 60.3 -2.5 26 26 A I H X>S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 6,-0.6 0.885 109.0 51.3 -67.9 -41.2 49.5 60.5 -4.6 27 27 A V H X5S+ 0 0 53 -4,-2.5 4,-1.7 4,-0.2 -2,-0.2 0.950 112.3 49.1 -55.1 -45.7 50.5 63.8 -2.8 28 28 A R H <5S+ 0 0 150 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.916 122.0 29.5 -62.5 -47.0 49.9 62.1 0.5 29 29 A D H <5S+ 0 0 66 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.606 133.3 27.0 -94.5 -17.6 51.9 58.9 -0.2 30 30 A F H <5S- 0 0 36 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.465 93.6-125.8-125.6 -15.1 54.6 60.1 -2.6 31 31 A G << + 0 0 49 -4,-1.7 54,-0.3 -5,-0.5 -4,-0.2 0.739 54.2 149.3 70.9 26.2 55.1 63.7 -1.8 32 32 A W - 0 0 8 -6,-0.6 2,-0.5 -9,-0.1 54,-0.2 -0.492 51.3-109.9 -76.5 161.5 54.5 65.1 -5.3 33 33 A V E -c 86 0A 31 52,-3.2 54,-2.8 -2,-0.2 2,-0.7 -0.813 27.2-139.8 -97.2 127.0 53.0 68.5 -5.8 34 34 A H E -c 87 0A 58 -2,-0.5 2,-0.6 52,-0.2 54,-0.2 -0.808 19.6-177.5 -93.5 114.9 49.5 68.5 -7.2 35 35 A L E -c 88 0A 11 52,-3.0 54,-3.1 -2,-0.7 2,-0.7 -0.886 5.4-168.7-112.2 100.1 48.7 71.1 -9.9 36 36 A S E > -c 89 0A 16 -2,-0.6 4,-2.7 52,-0.2 5,-0.2 -0.790 11.0-156.0 -85.6 113.3 45.1 71.0 -11.1 37 37 A A H > S+ 0 0 3 52,-2.6 4,-2.3 -2,-0.7 -1,-0.2 0.894 95.2 52.7 -57.7 -37.2 44.9 73.3 -14.1 38 38 A G H > S+ 0 0 16 51,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.916 110.3 46.7 -65.6 -44.1 41.2 73.7 -13.5 39 39 A D H > S+ 0 0 77 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.912 111.4 51.7 -58.5 -47.3 41.8 74.8 -9.9 40 40 A L H X S+ 0 0 22 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.902 111.1 48.2 -59.6 -39.5 44.6 77.1 -10.9 41 41 A L H X S+ 0 0 17 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.905 110.3 50.3 -70.2 -41.1 42.2 78.7 -13.5 42 42 A R H X S+ 0 0 49 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.895 111.4 50.6 -61.9 -40.1 39.4 79.1 -10.9 43 43 A Q H X S+ 0 0 98 -4,-2.7 4,-0.9 2,-0.2 -2,-0.2 0.914 107.4 53.5 -56.0 -46.6 41.9 80.7 -8.6 44 44 A E H <>S+ 0 0 42 -4,-2.0 5,-1.0 1,-0.3 3,-0.3 0.853 111.6 43.8 -67.5 -35.3 43.0 83.1 -11.3 45 45 A Q H <5S+ 0 0 54 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.789 103.5 67.5 -75.8 -23.0 39.5 84.3 -12.0 46 46 A Q H <5S+ 0 0 145 -4,-1.3 2,-0.3 1,-0.2 -2,-0.2 0.608 100.1 49.9 -88.4 -12.6 38.7 84.6 -8.3 47 47 A S T <5S- 0 0 101 -4,-0.9 2,-0.7 -3,-0.3 -1,-0.2 -0.907 115.6-101.7-139.5 130.9 41.1 87.4 -7.7 48 48 A G T 5 + 0 0 71 -2,-0.3 -3,-0.2 -3,-0.1 -2,-0.1 -0.548 55.4 160.4-114.6 64.0 40.3 89.4 -10.1 49 49 A S > < - 0 0 35 -5,-1.0 3,-1.6 -2,-0.7 4,-0.4 0.054 55.6 -95.4 -78.1 159.9 42.3 89.8 -13.2 50 50 A K T 3 S+ 0 0 202 1,-0.2 3,-0.4 2,-0.1 4,-0.3 0.812 127.2 39.3 13.9 -77.3 42.3 90.8 -16.7 51 51 A D T 3> S+ 0 0 35 1,-0.2 4,-2.4 2,-0.1 -1,-0.2 0.387 88.2 102.2 -92.3 3.2 41.5 87.2 -17.7 52 52 A G H <> S+ 0 0 0 -3,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.828 82.5 39.7 -70.3 -38.2 39.1 86.5 -14.9 53 53 A E H > S+ 0 0 129 -4,-0.4 4,-1.7 -3,-0.4 -1,-0.2 0.724 112.5 56.5 -91.7 -19.0 35.7 86.9 -16.7 54 54 A M H > S+ 0 0 55 -4,-0.3 4,-2.6 2,-0.2 5,-0.2 0.921 108.4 48.6 -60.3 -53.0 37.0 85.2 -19.8 55 55 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.940 110.4 52.0 -57.4 -42.6 37.9 82.2 -17.7 56 56 A A H X S+ 0 0 20 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.916 112.0 45.3 -57.5 -47.0 34.5 82.3 -16.1 57 57 A T H X S+ 0 0 87 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.915 115.8 45.1 -68.2 -44.5 32.7 82.2 -19.4 58 58 A M H <>S+ 0 0 39 -4,-2.6 5,-2.6 2,-0.2 4,-0.4 0.921 112.0 51.7 -68.7 -41.9 34.8 79.5 -20.9 59 59 A I H ><5S+ 0 0 21 -4,-3.0 3,-1.6 -5,-0.2 -2,-0.2 0.930 107.6 52.7 -59.3 -44.8 34.7 77.3 -17.9 60 60 A K H 3<5S+ 0 0 110 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.829 114.1 44.0 -61.7 -29.2 30.9 77.5 -17.8 61 61 A N T 3<5S- 0 0 61 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.343 113.4-115.2 -99.3 6.4 30.8 76.4 -21.4 62 62 A G T < 5 + 0 0 9 -3,-1.6 2,-0.2 -4,-0.4 -3,-0.2 0.714 65.7 147.6 66.0 25.0 33.3 73.6 -21.1 63 63 A E < - 0 0 95 -5,-2.6 2,-0.5 -6,-0.2 -1,-0.2 -0.595 53.4-110.1 -89.8 155.3 35.8 75.4 -23.4 64 64 A I - 0 0 36 -2,-0.2 3,-0.1 29,-0.1 -1,-0.1 -0.686 34.0-128.1 -86.6 119.1 39.6 75.3 -23.2 65 65 A V - 0 0 4 -2,-0.5 -1,-0.1 1,-0.1 5,-0.0 -0.327 41.4 -79.2 -60.9 144.8 41.1 78.6 -22.0 66 66 A P >> - 0 0 39 0, 0.0 3,-1.6 0, 0.0 4,-1.2 -0.310 43.1-126.4 -45.8 132.4 43.9 80.1 -24.2 67 67 A S H 3> S+ 0 0 3 1,-0.3 4,-3.1 2,-0.2 5,-0.4 0.697 102.0 69.2 -66.2 -24.7 47.1 78.3 -23.3 68 68 A I H 3> S+ 0 0 128 2,-0.2 4,-0.7 3,-0.2 -1,-0.3 0.790 104.5 44.7 -63.8 -31.9 49.1 81.4 -22.5 69 69 A V H <> S+ 0 0 2 -3,-1.6 4,-1.9 2,-0.1 -2,-0.2 0.969 118.7 40.5 -69.4 -55.4 47.0 81.8 -19.4 70 70 A T H X S+ 0 0 6 -4,-1.2 4,-2.2 1,-0.2 -2,-0.2 0.855 115.6 48.1 -68.7 -40.4 47.0 78.2 -18.2 71 71 A V H X S+ 0 0 1 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.872 109.8 53.9 -72.1 -32.9 50.7 77.4 -19.0 72 72 A K H X S+ 0 0 86 -4,-0.7 4,-2.4 -5,-0.4 -1,-0.2 0.906 109.1 49.2 -61.7 -43.2 51.8 80.6 -17.2 73 73 A L H X S+ 0 0 21 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.914 114.2 45.1 -63.9 -43.2 49.8 79.5 -14.1 74 74 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.929 113.3 50.1 -63.3 -45.7 51.4 76.1 -14.2 75 75 A K H X S+ 0 0 62 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.884 108.0 52.7 -66.1 -41.7 54.9 77.5 -14.8 76 76 A N H X S+ 0 0 91 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.930 111.8 45.4 -55.4 -50.0 54.7 79.9 -11.9 77 77 A A H < S+ 0 0 21 -4,-1.6 4,-0.3 2,-0.2 -2,-0.2 0.912 113.5 49.8 -65.1 -42.1 53.7 77.2 -9.5 78 78 A I H >< S+ 0 0 11 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.938 109.9 50.9 -60.2 -44.6 56.4 74.9 -10.8 79 79 A D H 3< S+ 0 0 99 -4,-2.8 3,-0.4 1,-0.3 -1,-0.2 0.785 106.4 56.1 -66.8 -26.9 59.1 77.6 -10.5 80 80 A A T 3< S+ 0 0 80 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.523 104.5 56.5 -77.9 -10.0 58.0 78.2 -6.9 81 81 A N S X S- 0 0 54 -3,-1.7 3,-1.4 -4,-0.3 -1,-0.2 -0.468 72.3-178.8-128.2 60.2 58.6 74.6 -6.0 82 82 A Q T 3 S+ 0 0 71 -3,-0.4 3,-0.1 1,-0.2 -77,-0.1 -0.327 70.1 23.5 -58.2 136.6 62.2 73.7 -6.8 83 83 A G T 3 S+ 0 0 77 1,-0.3 2,-0.3 -79,-0.3 -1,-0.2 0.576 100.0 109.6 82.2 7.7 63.2 70.1 -6.1 84 84 A K < - 0 0 97 -3,-1.4 -1,-0.3 -6,-0.2 2,-0.3 -0.752 62.4-130.0-103.5 162.2 59.6 68.8 -6.3 85 85 A N - 0 0 46 -54,-0.3 -52,-3.2 -2,-0.3 2,-0.4 -0.787 27.8-133.8-105.7 159.7 57.9 66.5 -8.8 86 86 A F E -bc 8 33A 1 -79,-2.7 -77,-2.3 -2,-0.3 2,-0.8 -0.944 17.9-156.1-130.2 126.5 54.5 67.5 -10.3 87 87 A L E -bc 9 34A 0 -54,-2.8 -52,-3.0 -2,-0.4 2,-0.8 -0.907 21.9-160.1 -87.4 103.8 51.2 65.9 -11.0 88 88 A V E > -bc 10 35A 0 -79,-2.4 -77,-2.8 -2,-0.8 3,-0.5 -0.821 15.6-159.0 -91.8 107.1 49.9 68.2 -13.7 89 89 A D E 3 +bc 11 36A 8 -54,-3.1 -52,-2.6 -2,-0.8 -51,-0.4 -0.774 61.8 1.6-104.7 123.0 46.2 67.5 -13.6 90 90 A G T 3 S+ 0 0 3 -79,-3.1 -1,-0.2 -2,-0.5 3,-0.2 0.785 99.3 139.9 78.2 26.9 43.7 68.1 -16.4 91 91 A F < + 0 0 0 -3,-0.5 -80,-0.4 -80,-0.4 -1,-0.2 -0.962 44.1 35.8-155.9 138.8 46.4 69.3 -18.8 92 92 A P + 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.495 63.3 161.0 -81.6 141.8 47.0 69.1 -21.7 93 93 A R + 0 0 43 -3,-0.2 2,-0.3 1,-0.1 66,-0.2 0.547 66.8 14.3-106.7 -9.2 43.4 69.1 -22.8 94 94 A N S > S- 0 0 15 62,-0.1 4,-1.9 64,-0.1 5,-0.1 -0.919 86.1 -94.6-147.8-179.9 44.1 70.0 -26.4 95 95 A E H > S+ 0 0 135 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.859 122.6 55.5 -64.3 -36.3 46.9 70.3 -29.0 96 96 A E H > S+ 0 0 98 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.934 106.9 50.6 -60.0 -47.5 47.4 74.0 -28.2 97 97 A N H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.936 113.8 45.8 -48.0 -52.2 47.9 73.1 -24.5 98 98 A N H X S+ 0 0 4 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.907 113.4 47.1 -67.0 -43.0 50.4 70.5 -25.5 99 99 A N H X S+ 0 0 82 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.912 111.4 51.2 -65.3 -40.4 52.4 72.7 -27.9 100 100 A S H X S+ 0 0 19 -4,-2.7 4,-1.7 -5,-0.2 -2,-0.2 0.881 110.3 51.0 -68.6 -34.5 52.5 75.6 -25.5 101 101 A W H X S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.2 5,-0.5 0.964 110.8 46.6 -58.7 -56.8 53.8 73.2 -22.9 102 102 A E H X S+ 0 0 63 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.857 113.6 50.3 -58.0 -37.5 56.6 71.9 -25.2 103 103 A E H < S+ 0 0 152 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.869 123.9 27.2 -65.3 -37.7 57.5 75.5 -26.1 104 104 A N H < S+ 0 0 61 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.716 131.9 25.7 -98.5 -28.5 57.7 76.7 -22.6 105 105 A M H >X S+ 0 0 1 -4,-3.0 3,-1.8 -5,-0.2 4,-1.2 0.494 83.9 102.0-123.3 -10.7 58.6 73.8 -20.4 106 106 A K T 3< S+ 0 0 93 -4,-0.9 5,-0.2 -5,-0.5 -3,-0.1 0.720 86.7 40.9 -72.8 -32.5 60.5 71.2 -22.4 107 107 A D T 34 S+ 0 0 122 1,-0.1 -1,-0.3 -5,-0.1 3,-0.1 0.412 117.6 51.7 -85.8 -1.5 64.1 71.9 -21.4 108 108 A F T <4 S+ 0 0 109 -3,-1.8 2,-0.3 1,-0.1 -2,-0.2 0.551 107.7 43.7-121.3 -15.4 63.1 72.4 -17.8 109 109 A V < - 0 0 3 -4,-1.2 2,-0.7 -104,-0.2 -102,-0.2 -0.954 63.6-138.2-129.1 151.2 61.0 69.3 -17.0 110 110 A D E -a 7 0A 69 -104,-2.8 -102,-2.3 -2,-0.3 2,-0.5 -0.909 25.9-159.9 -97.9 99.2 61.2 65.5 -17.6 111 111 A T E -a 8 0A 16 -2,-0.7 -102,-0.2 -104,-0.2 3,-0.1 -0.732 10.8-175.4 -89.2 122.6 57.6 64.7 -18.5 112 112 A K E - 0 0 81 -104,-3.3 2,-0.3 -2,-0.5 -103,-0.2 0.886 44.1 -35.0-100.3 -54.8 57.3 61.1 -17.9 113 113 A F E -a 9 0A 7 -105,-0.6 -103,-1.7 57,-0.0 2,-0.5 -0.967 51.4-102.0-157.1 170.1 54.0 59.7 -18.9 114 114 A V E -ad 10 169A 0 54,-3.5 56,-3.2 -2,-0.3 2,-0.7 -0.930 26.8-151.7 -93.0 123.9 50.2 60.4 -19.1 115 115 A L E -ad 11 170A 0 -105,-3.5 -103,-2.8 -2,-0.5 2,-0.6 -0.903 18.8-165.9 -91.3 114.9 48.2 58.8 -16.4 116 116 A F E -ad 12 171A 22 54,-2.9 56,-2.9 -2,-0.7 2,-0.7 -0.911 12.9-155.6-111.8 118.5 44.7 58.2 -17.9 117 117 A F E -ad 13 172A 1 -105,-2.6 -103,-0.6 -2,-0.6 2,-0.5 -0.841 15.2-151.9 -91.0 115.3 41.7 57.4 -15.8 118 118 A D E + d 0 173A 87 54,-1.9 56,-3.0 -2,-0.7 57,-0.4 -0.755 26.5 158.0 -94.0 125.5 39.1 55.6 -18.0 119 119 A C - 0 0 12 -2,-0.5 2,-0.1 54,-0.2 -105,-0.1 -0.998 42.6-105.3-146.4 143.6 35.5 56.0 -17.0 120 120 A P > - 0 0 52 0, 0.0 4,-2.4 0, 0.0 3,-0.3 -0.453 28.6-126.9 -66.1 141.8 32.1 55.7 -18.7 121 121 A E H > S+ 0 0 73 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.879 109.2 56.9 -52.5 -41.6 30.3 59.0 -19.4 122 122 A E H > S+ 0 0 142 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.883 108.8 45.9 -66.4 -34.6 27.2 57.9 -17.6 123 123 A V H > S+ 0 0 39 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.936 112.1 51.2 -72.0 -43.6 29.2 57.3 -14.4 124 124 A M H X S+ 0 0 5 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.894 107.1 54.6 -59.0 -40.6 31.0 60.6 -14.8 125 125 A T H X S+ 0 0 13 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.927 109.1 47.2 -61.4 -42.3 27.7 62.4 -15.2 126 126 A Q H X S+ 0 0 126 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.927 112.1 49.4 -69.0 -42.5 26.3 61.0 -11.9 127 127 A R H X S+ 0 0 76 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.870 112.2 49.1 -57.7 -42.8 29.5 61.8 -10.0 128 128 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.874 110.5 48.6 -73.6 -37.9 29.5 65.4 -11.3 129 129 A L H X S+ 0 0 62 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.917 114.0 47.8 -63.0 -44.9 25.8 66.0 -10.5 130 130 A K H >< S+ 0 0 152 -4,-2.4 3,-1.5 1,-0.2 4,-0.3 0.953 112.5 48.8 -58.2 -49.3 26.5 64.6 -7.0 131 131 A R H >X S+ 0 0 83 -4,-2.9 4,-2.1 1,-0.3 3,-1.9 0.871 101.9 64.4 -57.5 -38.3 29.6 66.8 -6.7 132 132 A G H 3< S+ 0 0 26 -4,-2.1 4,-0.5 1,-0.3 -1,-0.3 0.666 84.3 75.4 -66.1 -14.4 27.5 69.8 -7.8 133 133 A E T << S+ 0 0 163 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.793 121.9 4.7 -62.5 -25.5 25.4 69.5 -4.7 134 134 A S T <4 S+ 0 0 110 -3,-1.9 -2,-0.2 -4,-0.3 -1,-0.2 0.471 109.0 86.3-139.0 -8.9 28.3 71.1 -2.7 135 135 A S S < S- 0 0 42 -4,-2.1 -3,-0.1 -5,-0.1 3,-0.1 0.750 70.7-148.2 -73.8 -29.7 31.1 72.0 -5.0 136 136 A G + 0 0 79 -4,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.635 44.6 150.6 63.7 15.5 29.8 75.5 -5.9 137 137 A R > - 0 0 56 -6,-0.1 3,-1.1 1,-0.1 -1,-0.2 -0.595 50.8-137.4 -81.8 140.4 31.4 75.0 -9.3 138 138 A S T 3 S+ 0 0 52 -2,-0.3 6,-0.1 1,-0.2 -1,-0.1 0.524 101.1 50.9 -73.3 -9.5 29.8 76.8 -12.3 139 139 A D T 3 S+ 0 0 4 1,-0.1 2,-1.0 5,-0.1 -1,-0.2 0.376 77.3 97.4-113.5 4.7 30.2 73.8 -14.5 140 140 A D < + 0 0 13 -3,-1.1 2,-0.3 4,-0.1 -1,-0.1 -0.299 65.3 96.5 -92.5 53.4 28.7 71.0 -12.3 141 141 A N S > S- 0 0 49 -2,-1.0 4,-2.9 -3,-0.1 5,-0.2 -0.917 88.9-102.9-136.7 160.9 25.3 71.2 -14.0 142 142 A I H > S+ 0 0 82 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.886 118.2 51.4 -55.0 -42.3 23.7 69.1 -16.8 143 143 A E H > S+ 0 0 121 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.943 116.1 38.2 -57.7 -58.2 24.3 71.8 -19.4 144 144 A S H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.886 111.8 59.8 -62.4 -40.0 28.0 72.3 -18.7 145 145 A I H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.920 106.1 45.9 -59.9 -44.1 28.6 68.6 -18.1 146 146 A K H X S+ 0 0 111 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.882 111.9 51.9 -71.6 -31.8 27.5 67.6 -21.6 147 147 A K H X S+ 0 0 72 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.918 107.4 53.9 -66.1 -37.1 29.6 70.4 -23.1 148 148 A R H X S+ 0 0 29 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.885 105.7 53.0 -64.5 -39.1 32.5 69.2 -21.1 149 149 A F H X S+ 0 0 5 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.920 107.9 50.1 -61.2 -42.7 32.1 65.7 -22.6 150 150 A N H X S+ 0 0 102 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.953 110.3 49.7 -65.8 -41.9 32.1 67.1 -26.2 151 151 A T H X>S+ 0 0 21 -4,-2.2 4,-2.5 1,-0.2 5,-1.2 0.903 113.3 47.1 -60.1 -42.9 35.3 69.0 -25.5 152 152 A F H <>S+ 0 0 15 -4,-2.2 5,-2.0 3,-0.2 4,-0.3 0.910 115.9 45.0 -60.7 -44.6 36.9 65.9 -24.1 153 153 A N H <5S+ 0 0 50 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.902 122.0 35.1 -71.9 -39.1 35.7 63.7 -27.0 154 154 A V H <5S+ 0 0 83 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.855 134.2 15.7 -89.5 -36.4 36.7 66.2 -29.7 155 155 A Q T X5S+ 0 0 72 -4,-2.5 4,-0.8 -5,-0.3 -3,-0.2 0.823 123.6 45.1-107.6 -43.8 39.9 67.8 -28.4 156 156 A T H > S+ 0 0 112 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.863 105.6 51.2 -62.5 -38.7 43.4 63.2 -29.8 159 159 A V H X S+ 0 0 5 -4,-0.8 4,-2.1 -3,-0.5 -1,-0.2 0.922 110.1 48.1 -65.2 -46.9 46.1 64.4 -27.3 160 160 A I H X S+ 0 0 12 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.921 111.4 51.1 -58.9 -42.8 46.0 61.1 -25.3 161 161 A D H X S+ 0 0 86 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.838 106.7 55.2 -63.6 -35.7 46.2 59.2 -28.6 162 162 A H H X S+ 0 0 72 -4,-1.8 4,-0.7 1,-0.2 3,-0.3 0.936 111.6 42.5 -61.4 -46.9 49.2 61.3 -29.6 163 163 A Y H ><>S+ 0 0 14 -4,-2.1 5,-2.3 1,-0.2 3,-0.5 0.816 109.2 59.2 -68.7 -30.3 51.0 60.3 -26.3 164 164 A N H ><5S+ 0 0 82 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.784 94.0 65.5 -72.6 -27.1 49.9 56.7 -26.7 165 165 A K H 3<5S+ 0 0 158 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.864 104.5 45.1 -59.2 -35.9 51.7 56.5 -30.1 166 166 A F T <<5S- 0 0 121 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.173 121.0-109.7 -97.1 18.3 55.0 56.9 -28.2 167 167 A D T < 5S+ 0 0 145 -3,-1.5 -3,-0.2 1,-0.1 -2,-0.1 0.781 81.7 128.0 67.9 29.4 54.0 54.4 -25.5 168 168 A K < + 0 0 82 -5,-2.3 -54,-3.5 -8,-0.1 2,-0.5 0.149 39.3 94.9-110.6 16.9 53.6 57.2 -22.9 169 169 A V E -d 114 0A 17 -56,-0.2 2,-0.5 -6,-0.2 -54,-0.2 -0.942 49.3-166.9-114.0 127.7 50.1 56.5 -21.6 170 170 A K E -d 115 0A 66 -56,-3.2 -54,-2.9 -2,-0.5 2,-0.5 -0.970 16.4-152.6-110.3 117.0 49.3 54.4 -18.6 171 171 A I E -d 116 0A 99 -2,-0.5 -54,-0.2 -56,-0.2 -56,-0.1 -0.811 14.0-177.1 -96.4 124.9 45.6 53.5 -18.4 172 172 A I E -d 117 0A 11 -56,-2.9 -54,-1.9 -2,-0.5 2,-0.2 -0.985 27.3-128.0-118.9 121.4 43.8 52.9 -15.1 173 173 A P E -d 118 0A 70 0, 0.0 -54,-0.2 0, 0.0 3,-0.1 -0.503 23.2-172.3 -67.0 129.8 40.1 51.8 -15.1 174 174 A A + 0 0 3 -56,-3.0 2,-0.8 -2,-0.2 -55,-0.2 0.282 54.0 102.3-118.1 9.4 38.3 54.2 -12.8 175 175 A N S S+ 0 0 93 -57,-0.4 2,-0.3 6,-0.0 -1,-0.1 -0.297 72.4 77.6 -90.3 47.4 34.8 52.6 -12.7 176 176 A R S S- 0 0 74 -2,-0.8 5,-0.1 -3,-0.1 0, 0.0 -0.881 96.6 -58.7-136.8 179.7 35.4 51.1 -9.3 177 177 A D >> - 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