==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-MAR-08 3CKW . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE 24; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.S.ANTONYSAMY,S.K.BURLEY,S.BUCHANAN,F.CHAU,I.FEIL,L.WU, . 255 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13227.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.8 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-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 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 2 1 1 0 0 0 2 0 2 0 0 0 1 0 0 0 1 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 . 0 1 1 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 5 A P 0 0 128 0, 0.0 2,-1.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-104.6 -22.0 -17.3 -4.6 2 6 A E + 0 0 16 1,-0.2 63,-0.0 2,-0.1 61,-0.0 -0.713 360.0 122.8 -91.1 73.4 -21.3 -15.6 -1.2 3 7 A E + 0 0 127 -2,-1.1 -1,-0.2 1,-0.1 3,-0.1 -0.065 47.2 94.1-113.5 21.3 -24.7 -16.5 0.2 4 8 A L S S+ 0 0 83 -3,-0.1 17,-2.1 17,-0.1 18,-0.5 0.537 94.1 40.3 -74.2 -12.8 -22.8 -18.2 3.0 5 9 A F E S-A 20 0A 16 15,-0.2 2,-0.6 16,-0.1 15,-0.2 -0.961 75.9-137.9-136.9 150.1 -23.3 -14.8 4.6 6 10 A T E -A 19 0A 64 13,-1.8 13,-1.1 -2,-0.3 2,-0.3 -0.952 25.8-135.0-110.3 113.1 -26.1 -12.2 4.9 7 11 A K E +A 18 0A 54 -2,-0.6 11,-0.3 11,-0.2 2,-0.1 -0.496 28.2 179.6 -67.5 124.9 -24.9 -8.6 4.5 8 12 A L E - 0 0 65 9,-3.7 3,-0.1 1,-0.3 -1,-0.1 -0.142 45.2 -26.4-102.0-152.8 -26.4 -6.3 7.1 9 13 A E E - 0 0 102 7,-0.1 8,-2.7 1,-0.1 2,-0.4 -0.167 66.5-104.4 -64.3 149.6 -25.7 -2.6 7.5 10 14 A K E A 16 0A 68 6,-0.2 6,-0.3 -3,-0.1 -1,-0.1 -0.644 360.0 360.0 -72.7 129.8 -22.5 -0.8 6.5 11 15 A I 0 0 104 4,-2.1 4,-0.4 -2,-0.4 -1,-0.1 -0.434 360.0 360.0-119.0 360.0 -20.5 -0.2 9.7 12 ! 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 13 21 A G 0 0 90 0, 0.0 2,-0.4 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 108.4 -13.3 -0.8 0.7 14 22 A E E - B 0 31A 123 17,-2.0 17,-2.7 2,-0.0 2,-0.4 -0.999 360.0-147.9-123.7 132.3 -16.7 -0.9 2.5 15 23 A V E - B 0 30A 54 -2,-0.4 -4,-2.1 -4,-0.4 2,-0.3 -0.814 17.4-175.2-101.4 137.1 -17.2 -2.8 5.8 16 24 A F E -AB 10 29A 39 13,-2.6 13,-3.0 -2,-0.4 2,-0.4 -0.933 29.7-119.7-126.3 149.5 -20.5 -4.5 6.7 17 25 A K E + B 0 28A 47 -8,-2.7 -9,-3.7 -2,-0.3 2,-0.3 -0.727 46.9 174.3 -77.3 139.9 -22.0 -6.3 9.6 18 26 A G E -AB 7 27A 0 9,-2.7 9,-2.3 -2,-0.4 2,-0.4 -0.886 27.4-127.7-141.8 172.1 -22.9 -9.8 8.3 19 27 A I E -AB 6 26A 23 -13,-1.1 -13,-1.8 -2,-0.3 2,-0.7 -0.996 18.7-127.8-131.3 129.0 -24.2 -13.1 9.6 20 28 A D E >> -A 5 0A 40 5,-3.1 4,-3.3 -2,-0.4 3,-0.7 -0.674 19.7-152.9 -72.1 113.2 -22.7 -16.5 9.0 21 29 A N T 34 S+ 0 0 60 -17,-2.1 -1,-0.2 -2,-0.7 -16,-0.1 0.702 89.4 57.0 -65.9 -22.4 -25.7 -18.5 7.7 22 30 A R T 34 S+ 0 0 136 -18,-0.5 -1,-0.2 1,-0.1 -17,-0.1 0.837 128.0 11.0 -75.1 -36.0 -24.3 -21.8 9.0 23 31 A T T <4 S- 0 0 74 -3,-0.7 -2,-0.2 2,-0.2 3,-0.1 0.542 91.8-122.6-121.0 -19.0 -24.0 -20.8 12.7 24 32 A Q < + 0 0 132 -4,-3.3 2,-0.2 1,-0.3 -3,-0.1 0.608 61.4 145.8 73.8 14.4 -25.9 -17.4 13.0 25 33 A K - 0 0 114 -5,-0.4 -5,-3.1 1,-0.1 -1,-0.3 -0.585 52.2-114.2 -78.5 144.2 -22.7 -15.7 14.4 26 34 A V E -B 19 0A 65 -2,-0.2 49,-0.6 -7,-0.2 2,-0.3 -0.544 37.6-179.5 -76.7 140.6 -22.1 -12.1 13.4 27 35 A V E -BC 18 74A 5 -9,-2.3 -9,-2.7 -2,-0.2 2,-0.5 -0.892 29.0-119.8-131.7 162.9 -19.0 -11.3 11.2 28 36 A A E -BC 17 73A 13 45,-2.9 45,-3.2 -2,-0.3 2,-0.6 -0.931 27.5-159.0-102.1 132.3 -17.5 -8.2 9.7 29 37 A I E -BC 16 72A 0 -13,-3.0 -13,-2.6 -2,-0.5 2,-0.5 -0.953 5.3-166.2-118.3 109.5 -17.4 -8.3 5.9 30 38 A K E -BC 15 71A 44 41,-2.4 41,-2.9 -2,-0.6 2,-0.6 -0.849 8.2-164.0 -91.4 125.3 -14.9 -6.0 4.1 31 39 A I E -BC 14 70A 31 -17,-2.7 -17,-2.0 -2,-0.5 2,-0.5 -0.959 6.1-173.5-117.6 117.2 -15.7 -5.7 0.4 32 40 A I E - C 0 69A 24 37,-2.2 37,-2.6 -2,-0.6 2,-0.8 -0.940 23.6-134.1-113.4 128.2 -13.0 -4.4 -1.9 33 41 A D E - C 0 68A 83 -2,-0.5 35,-0.2 35,-0.2 -2,-0.0 -0.743 16.4-166.0 -78.6 110.4 -13.5 -3.6 -5.5 34 42 A L 0 0 46 33,-2.5 -1,-0.2 -2,-0.8 34,-0.1 0.656 360.0 360.0 -75.1 -16.8 -10.4 -5.1 -7.2 35 43 A E 0 0 187 32,-0.4 -2,-0.1 -3,-0.0 32,-0.0 -0.295 360.0 360.0 -54.5 360.0 -11.0 -3.3 -10.5 36 ! 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 37 48 A E > 0 0 120 0, 0.0 4,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 131.4 -2.8 -1.5 -6.0 38 49 A I H > + 0 0 86 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.665 360.0 79.6 -80.0 -22.7 -3.9 -5.1 -5.0 39 50 A E H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.818 92.6 51.1 -59.8 -33.0 -0.5 -6.2 -3.7 40 51 A D H > S+ 0 0 122 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.888 111.2 46.3 -72.1 -42.0 -1.1 -4.4 -0.3 41 52 A I H X S+ 0 0 30 -4,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.925 111.5 54.4 -60.1 -47.1 -4.5 -6.1 0.1 42 53 A Q H X S+ 0 0 111 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.915 108.9 47.2 -50.6 -52.8 -2.8 -9.4 -0.8 43 54 A Q H X S+ 0 0 103 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.904 108.5 54.6 -58.2 -47.2 -0.2 -8.9 1.9 44 55 A E H X S+ 0 0 41 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.900 107.4 50.2 -56.7 -45.4 -2.7 -8.0 4.6 45 56 A I H X S+ 0 0 26 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.877 108.4 52.1 -60.1 -41.8 -4.7 -11.2 4.0 46 57 A T H X S+ 0 0 72 -4,-1.6 4,-0.8 1,-0.2 -1,-0.2 0.905 111.0 47.4 -64.9 -39.3 -1.7 -13.5 4.2 47 58 A V H >< S+ 0 0 44 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.909 110.4 51.9 -67.4 -44.9 -0.6 -11.9 7.6 48 59 A L H >< S+ 0 0 20 -4,-2.1 3,-1.3 1,-0.2 11,-0.4 0.874 102.0 60.6 -60.6 -38.6 -4.1 -12.2 9.1 49 60 A S H 3< S+ 0 0 68 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.817 95.8 59.3 -61.2 -35.1 -4.6 -15.9 8.3 50 61 A Q T << S+ 0 0 120 -4,-0.8 2,-0.5 -3,-0.5 -1,-0.2 0.358 87.6 90.9 -83.5 5.7 -1.6 -17.2 10.3 51 62 A C < + 0 0 20 -3,-1.3 8,-0.3 -4,-0.1 2,-0.2 -0.895 39.7 174.9-110.3 126.1 -2.8 -16.0 13.7 52 63 A D + 0 0 131 -2,-0.5 6,-0.1 6,-0.1 5,-0.1 -0.595 39.2 136.2-117.0 66.7 -4.9 -17.9 16.2 53 64 A S > - 0 0 3 -2,-0.2 3,-1.5 3,-0.2 -2,-0.1 -0.958 54.0-149.3-119.6 129.2 -4.7 -15.3 18.9 54 65 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.549 103.6 56.8 -66.5 -6.4 -7.7 -14.1 21.0 55 66 A Y T 3 S+ 0 0 66 49,-0.1 79,-3.2 78,-0.1 2,-0.4 0.362 101.2 66.3-103.5 -0.3 -5.8 -10.7 21.2 56 67 A V B < S-e 134 0B 14 -3,-1.5 -3,-0.2 77,-0.3 79,-0.2 -0.986 97.8-100.8-125.5 133.6 -5.7 -10.4 17.5 57 68 A T - 0 0 9 77,-2.5 2,-0.1 -2,-0.4 -6,-0.1 -0.265 45.2-120.1 -53.9 125.9 -8.8 -9.9 15.2 58 69 A K - 0 0 48 -4,-0.1 16,-2.7 -6,-0.1 2,-0.5 -0.438 15.9-146.6 -70.9 143.8 -9.7 -13.3 13.6 59 70 A Y E -D 73 0A 50 -11,-0.4 14,-0.2 -8,-0.3 3,-0.1 -0.952 13.5-176.3-108.1 129.7 -9.7 -13.8 9.8 60 71 A Y E - 0 0 116 12,-4.0 2,-0.2 -2,-0.5 13,-0.2 0.595 52.6 -68.7-104.9 -14.5 -12.3 -16.2 8.6 61 72 A G E -D 72 0A 14 11,-0.9 11,-3.1 2,-0.0 -1,-0.4 -0.693 38.5-104.9 143.7 163.0 -11.6 -16.4 4.9 62 73 A S E -D 71 0A 37 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.887 27.0-171.0-117.4 152.0 -11.6 -14.5 1.6 63 74 A Y E -D 70 0A 85 7,-2.2 7,-3.2 -2,-0.3 2,-0.5 -0.990 15.7-141.0-140.1 147.9 -14.0 -14.9 -1.4 64 75 A L E +D 69 0A 109 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.951 19.4 175.8-108.5 125.7 -14.2 -13.5 -4.9 65 76 A K E > -D 68 0A 26 3,-3.2 3,-3.2 -2,-0.5 2,-0.3 -0.967 67.6 -51.9-126.6 117.2 -17.6 -12.5 -6.3 66 77 A D T 3 S- 0 0 146 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.435 123.8 -23.7 54.9-115.6 -17.4 -11.0 -9.8 67 78 A T T 3 S+ 0 0 33 -2,-0.3 -33,-2.5 -3,-0.1 2,-0.5 0.271 120.3 100.2-104.1 6.0 -14.8 -8.2 -9.2 68 79 A K E < -CD 33 65A 75 -3,-3.2 -3,-3.2 -35,-0.2 2,-0.6 -0.832 59.2-150.6-105.7 126.9 -15.4 -8.0 -5.5 69 80 A L E -CD 32 64A 17 -37,-2.6 -37,-2.2 -2,-0.5 2,-0.6 -0.862 10.6-156.0 -89.3 122.9 -13.2 -9.6 -2.8 70 81 A W E -CD 31 63A 39 -7,-3.2 -7,-2.2 -2,-0.6 2,-0.6 -0.905 7.3-167.1 -95.4 119.5 -15.2 -10.5 0.4 71 82 A I E -CD 30 62A 5 -41,-2.9 -41,-2.4 -2,-0.6 2,-0.7 -0.950 9.7-149.6-110.7 117.6 -12.9 -10.6 3.5 72 83 A I E +CD 29 61A 0 -11,-3.1 -12,-4.0 -2,-0.6 -11,-0.9 -0.783 25.1 173.0 -94.4 115.5 -14.6 -12.2 6.5 73 84 A M E -CD 28 59A 27 -45,-3.2 -45,-2.9 -2,-0.7 -14,-0.2 -0.755 40.6 -84.6-118.1 156.3 -13.3 -10.9 9.8 74 85 A E E -C 27 0A 31 -16,-2.7 2,-0.4 -2,-0.3 -47,-0.2 -0.426 46.7-127.8 -52.4 131.4 -14.1 -11.2 13.5 75 86 A Y - 0 0 65 -49,-0.6 2,-0.4 -2,-0.1 -49,-0.1 -0.792 26.7-177.2 -87.6 129.8 -16.9 -8.8 14.4 76 87 A L > - 0 0 26 -2,-0.4 3,-0.5 51,-0.1 51,-0.2 -0.934 5.9-179.3-131.9 108.8 -16.2 -6.5 17.4 77 88 A G T 3 + 0 0 38 -2,-0.4 50,-0.2 1,-0.2 3,-0.1 0.254 62.3 84.0 -97.5 11.8 -19.1 -4.2 18.3 78 89 A G T 3 S- 0 0 3 48,-2.7 -1,-0.2 1,-0.3 49,-0.2 0.602 92.4-123.7 -88.5 -10.9 -17.6 -2.3 21.3 79 90 A G E < -F 126 0B 18 47,-0.7 47,-2.9 -3,-0.5 -1,-0.3 -0.297 36.2 -59.2 91.5 174.5 -15.9 0.3 19.1 80 91 A S E > -F 125 0B 10 45,-0.2 4,-2.2 -2,-0.1 45,-0.3 -0.507 45.8-109.7 -84.0 161.1 -12.2 1.2 19.0 81 92 A A H > S+ 0 0 1 43,-3.0 4,-0.8 40,-1.0 41,-0.2 0.866 123.6 56.3 -56.5 -34.9 -10.3 2.5 22.0 82 93 A L H >> S+ 0 0 67 39,-1.2 3,-0.8 42,-0.3 4,-0.6 0.921 104.1 51.3 -65.4 -42.7 -10.3 5.8 20.1 83 94 A D H >4 S+ 0 0 48 1,-0.2 3,-1.6 38,-0.2 -2,-0.2 0.933 106.8 55.7 -53.4 -46.1 -14.1 5.8 19.9 84 95 A L H 3< S+ 0 0 2 -4,-2.2 4,-0.2 1,-0.3 -1,-0.2 0.638 99.9 58.1 -68.6 -19.3 -14.3 5.2 23.7 85 96 A L H X< S+ 0 0 18 -4,-0.8 3,-0.8 -3,-0.8 -1,-0.3 0.611 85.5 86.9 -75.5 -18.1 -12.2 8.3 24.4 86 97 A E T << S+ 0 0 99 -3,-1.6 -2,-0.2 -4,-0.6 -1,-0.2 0.842 85.1 48.0 -56.8 -44.7 -14.8 10.5 22.6 87 98 A P T 3 S- 0 0 37 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.744 126.0 -68.0 -66.5 -25.8 -17.2 11.2 25.5 88 99 A G S < S- 0 0 21 -3,-0.8 87,-0.0 -4,-0.2 0, 0.0 -0.965 74.9 -21.9 159.1-175.4 -14.3 12.1 27.9 89 100 A P - 0 0 107 0, 0.0 2,-0.2 0, 0.0 84,-0.1 -0.199 49.4-131.8 -64.3 146.3 -11.3 10.9 29.9 90 101 A L - 0 0 16 82,-0.6 2,-0.2 83,-0.1 -5,-0.0 -0.545 22.2-124.2 -76.7 157.0 -10.5 7.3 30.9 91 102 A D > - 0 0 87 -2,-0.2 4,-2.2 1,-0.0 5,-0.1 -0.596 31.4-100.3 -92.8 170.8 -9.5 6.6 34.5 92 103 A E H > S+ 0 0 41 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.797 120.6 57.3 -64.5 -31.5 -6.2 4.7 35.3 93 104 A T H > S+ 0 0 49 2,-0.2 4,-2.4 1,-0.2 146,-0.5 0.943 110.3 44.3 -59.7 -51.7 -7.9 1.3 35.8 94 105 A Q H > S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.892 114.0 50.9 -57.1 -45.5 -9.4 1.5 32.3 95 106 A I H X S+ 0 0 1 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.965 113.4 44.2 -57.1 -52.1 -6.0 2.7 30.9 96 107 A A H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 142,-0.2 0.868 112.9 51.3 -61.9 -41.6 -4.1 -0.2 32.5 97 108 A T H X S+ 0 0 2 -4,-2.4 4,-1.9 140,-0.2 -1,-0.2 0.922 113.4 44.3 -63.0 -47.3 -6.7 -2.8 31.5 98 109 A I H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.943 115.4 48.7 -62.1 -50.3 -6.6 -1.6 27.9 99 110 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.897 108.2 54.5 -54.6 -45.3 -2.8 -1.5 27.9 100 111 A R H X S+ 0 0 51 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.913 109.9 45.9 -57.4 -47.1 -2.5 -4.9 29.5 101 112 A E H X S+ 0 0 12 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.904 111.1 51.9 -64.7 -40.0 -4.6 -6.5 26.7 102 113 A I H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.900 108.6 53.3 -60.2 -39.1 -2.6 -4.7 24.0 103 114 A L H X S+ 0 0 0 -4,-2.3 4,-3.5 2,-0.2 -1,-0.2 0.887 105.1 52.4 -64.6 -39.9 0.5 -6.0 25.6 104 115 A K H X S+ 0 0 57 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.932 112.4 47.1 -60.3 -45.2 -0.8 -9.6 25.5 105 116 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.889 114.1 46.0 -59.4 -46.4 -1.5 -9.0 21.7 106 117 A L H X S+ 0 0 0 -4,-2.8 4,-3.6 2,-0.2 5,-0.3 0.912 111.3 52.4 -63.4 -44.4 2.0 -7.5 21.3 107 118 A D H X S+ 0 0 39 -4,-3.5 4,-2.0 2,-0.2 -2,-0.2 0.909 111.7 47.5 -57.3 -43.8 3.6 -10.4 23.3 108 119 A Y H X S+ 0 0 44 -4,-2.3 4,-1.0 -5,-0.2 -2,-0.2 0.954 116.3 42.6 -60.9 -50.9 1.8 -12.9 21.0 109 120 A L H ><>S+ 0 0 13 -4,-2.4 5,-2.8 1,-0.2 3,-0.5 0.909 115.2 48.9 -64.2 -45.0 2.9 -11.0 17.8 110 121 A H H ><5S+ 0 0 35 -4,-3.6 3,-1.1 1,-0.2 -1,-0.2 0.827 108.9 53.3 -67.3 -31.6 6.4 -10.5 19.0 111 122 A S H 3<5S+ 0 0 74 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.727 108.3 52.2 -70.1 -22.5 6.7 -14.2 20.0 112 123 A E T <<5S- 0 0 108 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.055 120.7-109.5-100.3 20.7 5.6 -15.0 16.4 113 124 A K T < 5S+ 0 0 122 -3,-1.1 2,-0.2 1,-0.2 -3,-0.2 0.645 77.5 133.0 59.3 20.5 8.3 -12.8 14.9 114 125 A K < - 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0 0 11 0, 0.0 3,-1.4 0, 0.0 -32,-0.1 -0.355 54.2 -77.8 -75.8 164.9 -0.8 11.7 20.9 178 203 A P T 3 S+ 0 0 27 0, 0.0 -7,-0.0 0, 0.0 -11,-0.0 -0.246 118.3 21.1 -56.2 148.6 2.0 14.3 21.3 179 204 A H T > S+ 0 0 54 1,-0.1 3,-2.4 -3,-0.1 8,-0.1 0.572 76.7 147.0 70.5 12.1 2.1 16.9 18.5 180 205 A S T < + 0 0 43 -3,-1.4 -1,-0.1 1,-0.3 -36,-0.0 0.685 67.8 53.7 -57.1 -21.1 -1.5 16.3 17.6 181 206 A E T 3 S+ 0 0 121 2,-0.1 2,-0.3 3,-0.0 -1,-0.3 0.345 94.9 89.3 -94.1 6.0 -2.1 19.9 16.5 182 207 A L S < S- 0 0 61 -3,-2.4 5,-0.0 1,-0.1 0, 0.0 -0.766 89.9 -93.8-106.8 148.4 0.9 20.0 14.1 183 208 A H >> - 0 0 131 -2,-0.3 4,-2.0 1,-0.1 3,-1.1 -0.349 36.6-124.6 -54.0 131.2 1.2 19.2 10.4 184 209 A P H 3> S+ 0 0 58 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.786 110.1 59.1 -50.4 -31.7 2.2 15.5 10.1 185 210 A M H 3> S+ 0 0 143 2,-0.2 4,-0.6 1,-0.2 -2,-0.1 0.845 106.4 47.0 -69.1 -34.4 5.2 16.6 7.9 186 211 A K H X> S+ 0 0 73 -3,-1.1 4,-2.3 2,-0.2 3,-1.1 0.898 109.0 54.5 -68.4 -43.3 6.6 18.8 10.7 187 212 A V H 3X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.829 97.0 67.9 -59.1 -31.7 6.0 15.9 13.2 188 213 A L H 3< S+ 0 0 54 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.810 110.0 32.8 -62.1 -31.9 8.2 13.8 10.8 189 214 A F H - 0 0 28 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.173 37.5-115.6 -55.7 150.6 0.2 8.4 39.0 205 230 A K H > S+ 0 0 149 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.931 114.2 55.2 -57.2 -47.3 4.0 8.0 39.1 206 231 A P H > S+ 0 0 7 0, 0.0 4,-2.8 0, 0.0 27,-0.3 0.873 107.0 51.1 -57.4 -36.6 3.8 4.4 37.8 207 232 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.931 111.1 45.9 -65.0 -49.6 1.8 5.5 34.7 208 233 A K H X S+ 0 0 80 -4,-2.0 4,-2.5 2,-0.2 -9,-0.3 0.848 114.6 50.7 -56.0 -36.8 4.3 8.3 33.9 209 234 A E H X S+ 0 0 76 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.880 106.8 52.6 -72.1 -40.7 7.1 5.8 34.4 210 235 A F H X S+ 0 0 0 -4,-2.8 4,-1.7 -5,-0.2 -2,-0.2 0.935 112.5 46.1 -54.9 -50.0 5.5 3.2 32.1 211 236 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.947 111.3 51.2 -61.2 -49.3 5.3 5.9 29.4 212 237 A E H < S+ 0 0 120 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.898 107.9 53.7 -54.5 -43.3 8.9 7.0 30.0 213 238 A A H < S+ 0 0 30 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.887 111.9 43.9 -60.3 -42.2 10.1 3.4 29.7 214 239 A C H < S+ 0 0 0 -4,-1.7 2,-1.4 1,-0.2 -1,-0.2 0.879 106.8 62.8 -67.4 -42.2 8.4 2.9 26.3 215 240 A L < + 0 0 5 -4,-2.4 2,-0.5 -5,-0.2 -1,-0.2 -0.414 66.4 136.8 -90.8 61.1 9.5 6.2 25.0 216 241 A N - 0 0 58 -2,-1.4 6,-0.1 -3,-0.4 5,-0.1 -0.931 53.0-140.9-101.5 127.0 13.3 5.7 25.0 217 242 A K S S+ 0 0 66 -2,-0.5 -68,-0.1 1,-0.1 -1,-0.1 0.748 91.9 72.2 -59.6 -21.7 14.9 7.0 21.8 218 243 A E S > S- 0 0 84 1,-0.1 3,-1.4 -70,-0.0 4,-0.4 -0.861 77.2-153.0 -97.5 112.7 17.3 4.0 21.9 219 244 A P G > S+ 0 0 28 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.841 90.2 58.4 -58.6 -36.9 15.2 0.9 21.0 220 245 A S G 3 S+ 0 0 76 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.721 100.9 58.6 -68.5 -17.2 17.3 -1.7 23.0 221 246 A F G < S+ 0 0 145 -3,-1.4 -1,-0.3 -5,-0.1 -4,-0.1 0.596 86.6 94.6 -83.4 -10.3 16.6 0.3 26.2 222 247 A R S < S- 0 0 3 -3,-1.5 -8,-0.2 -4,-0.4 -9,-0.1 -0.594 82.8-115.8 -77.8 137.3 12.8 -0.1 25.7 223 248 A P - 0 0 25 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.229 28.0-109.3 -69.5 168.1 11.4 -3.1 27.6 224 249 A T > - 0 0 52 1,-0.1 4,-2.0 -62,-0.0 5,-0.2 -0.491 31.6-105.2 -87.7 164.0 9.8 -6.0 25.8 225 250 A A H > S+ 0 0 3 1,-0.2 4,-1.5 2,-0.2 -118,-0.1 0.895 121.8 56.3 -59.0 -39.0 6.0 -6.6 25.9 226 251 A K H 4 S+ 0 0 134 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.902 108.3 47.2 -56.7 -45.7 6.5 -9.5 28.3 227 252 A E H >4 S+ 0 0 117 1,-0.2 3,-1.7 2,-0.2 -2,-0.2 0.922 108.3 53.7 -62.5 -47.0 8.4 -7.3 30.7 228 253 A L H >< S+ 0 0 2 -4,-2.0 3,-1.6 1,-0.3 6,-0.3 0.755 95.2 68.7 -61.8 -26.7 5.8 -4.5 30.6 229 254 A L T 3< S+ 0 0 36 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.736 104.7 45.1 -61.6 -21.5 3.0 -7.0 31.5 230 255 A K T < S+ 0 0 160 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.266 86.2 129.7-104.2 6.0 4.8 -7.0 34.9 231 256 A H <> - 0 0 40 -3,-1.6 4,-2.6 1,-0.1 3,-0.3 -0.375 69.4-119.0 -60.8 141.5 5.2 -3.3 35.1 232 257 A K H > S+ 0 0 74 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.871 113.4 54.2 -45.8 -49.7 4.0 -1.7 38.4 233 258 A F H > S+ 0 0 0 -27,-0.3 4,-1.5 2,-0.2 5,-0.3 0.912 111.1 44.5 -56.6 -45.6 1.4 0.4 36.6 234 259 A I H > S+ 0 0 3 -3,-0.3 4,-2.9 -6,-0.3 -2,-0.2 0.962 116.8 46.3 -63.0 -48.6 -0.2 -2.6 34.9 235 260 A L H < S+ 0 0 118 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.856 116.2 42.9 -63.7 -41.2 -0.1 -4.7 38.2 236 261 A R H < S+ 0 0 148 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.804 128.3 26.3 -72.7 -31.0 -1.5 -2.0 40.5 237 262 A N H < S+ 0 0 26 -4,-1.5 -140,-0.2 -5,-0.3 -2,-0.2 0.742 86.9 101.4-113.4 -26.6 -4.2 -0.8 38.1 238 263 A A < + 0 0 13 -4,-2.9 2,-0.2 -5,-0.3 -144,-0.1 -0.450 43.9 168.8 -73.7 131.8 -5.4 -3.5 35.5 239 264 A K - 0 0 90 -146,-0.5 -2,-0.0 1,-0.2 -1,-0.0 -0.605 44.2 -38.9-123.7-171.4 -8.8 -5.2 36.3 240 265 A K > - 0 0 65 -2,-0.2 3,-1.0 1,-0.1 4,-0.3 -0.213 45.5-134.9 -50.4 136.5 -11.3 -7.5 34.6 241 266 A T G > S+ 0 0 34 1,-0.2 3,-1.6 2,-0.2 4,-0.2 0.771 102.4 72.2 -66.4 -23.8 -11.9 -6.7 30.9 242 267 A S G > S+ 0 0 70 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.793 83.3 67.5 -64.5 -27.5 -15.6 -7.0 31.7 243 268 A Y G X S+ 0 0 154 -3,-1.0 3,-1.7 1,-0.2 4,-0.4 0.754 83.1 76.0 -59.9 -24.4 -15.5 -3.7 33.6 244 269 A L G X> S+ 0 0 2 -3,-1.6 4,-1.9 -4,-0.3 3,-0.6 0.644 71.2 83.0 -64.1 -16.4 -14.9 -2.1 30.2 245 270 A T H <> S+ 0 0 46 -3,-1.5 4,-2.8 -116,-0.3 -1,-0.3 0.823 82.7 63.0 -51.9 -35.5 -18.6 -2.5 29.4 246 271 A E H <> S+ 0 0 98 -3,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.903 104.6 45.2 -57.9 -41.6 -19.0 0.7 31.4 247 272 A L H <> S+ 0 0 1 -3,-0.6 4,-1.9 -4,-0.4 -2,-0.2 0.866 110.9 52.7 -69.1 -40.9 -16.9 2.6 28.8 248 273 A I H X S+ 0 0 7 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.920 111.7 46.6 -57.2 -45.8 -18.8 0.9 25.9 249 274 A D H X S+ 0 0 62 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.909 108.3 55.9 -65.0 -42.3 -22.1 2.1 27.5 250 275 A R H X S+ 0 0 48 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.897 109.5 46.9 -56.4 -43.3 -20.7 5.6 28.0 251 276 A Y H X S+ 0 0 38 -4,-1.9 4,-3.3 2,-0.2 -1,-0.2 0.918 110.2 51.2 -67.0 -47.2 -19.9 5.8 24.3 252 277 A K H X S+ 0 0 133 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.914 113.6 45.5 -55.6 -45.5 -23.4 4.5 23.1 253 278 A R H X S+ 0 0 122 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.918 115.2 47.7 -61.1 -46.9 -25.2 7.0 25.4 254 279 A W H < S+ 0 0 72 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.923 111.2 50.3 -58.9 -48.7 -22.8 9.8 24.1 255 280 A K H >< S+ 0 0 113 -4,-3.3 3,-0.6 1,-0.2 -1,-0.2 0.773 107.6 54.5 -63.6 -29.0 -23.3 8.8 20.5 256 281 A A H 3< S+ 0 0 88 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.885 104.0 52.9 -73.9 -38.9 -27.1 8.8 20.8 257 282 A E T 3< 0 0 152 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.389 360.0 360.0 -73.3 1.5 -27.1 12.4 22.2 258 283 A Q < 0 0 98 -3,-0.6 -1,-0.1 -4,-0.2 -4,-0.1 -0.541 360.0 360.0 89.7 360.0 -25.1 13.3 19.1