==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-MAY-12 4F99 . COMPND 2 MOLECULE: CELL DIVISION CYCLE 7-RELATED PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.HUGHES,P.CHEREPANOV . 402 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18855.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 30 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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 3 0 2 1 2 1 0 1 1 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 . 1 2 0 2 2 2 0 0 1 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 . 2 2 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 41 A K > 0 0 193 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -41.2 18.7 32.6 73.2 2 42 A K H > + 0 0 131 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.771 360.0 61.5 -68.2 -26.3 15.4 32.0 75.1 3 43 A D H > S+ 0 0 70 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.924 101.6 49.8 -59.5 -51.4 15.0 29.1 72.6 4 44 A I H > S+ 0 0 24 2,-0.2 4,-2.4 1,-0.2 3,-0.4 0.955 113.2 46.2 -51.6 -55.5 18.2 27.5 74.0 5 45 A E H X S+ 0 0 95 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.876 113.3 49.1 -58.5 -39.9 16.9 27.9 77.6 6 46 A K H X S+ 0 0 88 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.778 108.1 54.0 -74.8 -23.2 13.5 26.5 76.6 7 47 A L H X S+ 0 0 1 -4,-2.1 4,-2.2 -3,-0.4 -2,-0.2 0.966 108.8 48.7 -70.2 -52.8 15.0 23.6 74.8 8 48 A Y H < S+ 0 0 53 -4,-2.4 7,-0.2 1,-0.2 -2,-0.2 0.892 113.2 49.2 -45.0 -46.5 17.0 22.7 78.0 9 49 A E H < S+ 0 0 124 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.852 110.9 47.1 -67.7 -38.5 13.7 23.1 80.0 10 50 A A H < S+ 0 0 20 -4,-1.8 79,-0.2 1,-0.3 -1,-0.2 0.827 127.5 27.9 -73.7 -33.1 11.6 20.8 77.8 11 51 A V S >< S+ 0 0 0 -4,-2.2 3,-1.7 -5,-0.1 -1,-0.3 -0.719 71.6 179.5-128.5 80.3 14.3 18.1 77.7 12 52 A P T > S+ 0 0 54 0, 0.0 3,-2.6 0, 0.0 4,-0.5 0.824 74.6 69.4 -53.1 -36.7 16.3 18.4 81.0 13 53 A Q T >> S+ 0 0 58 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.806 84.4 71.5 -56.2 -28.8 18.6 15.5 80.1 14 54 A L H X> S+ 0 0 0 -3,-1.7 4,-2.5 1,-0.2 3,-0.6 0.733 87.0 66.9 -54.9 -23.5 20.2 17.7 77.4 15 55 A S H <4 S+ 0 0 68 -3,-2.6 -1,-0.2 -4,-0.3 -2,-0.2 0.863 98.9 49.7 -66.0 -37.8 21.8 19.7 80.3 16 56 A N H <4 S+ 0 0 50 -3,-1.2 389,-2.4 -4,-0.5 -1,-0.2 0.596 122.9 28.0 -77.3 -13.9 24.0 16.8 81.3 17 57 A V H << S+ 0 0 9 -3,-0.6 21,-0.5 -4,-0.5 2,-0.4 0.759 109.9 51.3-120.6 -37.7 25.3 16.1 77.8 18 58 A F < - 0 0 7 -4,-2.5 2,-0.9 -5,-0.2 19,-0.2 -0.911 48.9-152.2-123.1 136.0 25.4 19.2 75.6 19 59 A K E -A 36 0A 152 17,-2.6 17,-2.0 -2,-0.4 2,-0.8 -0.861 31.9-151.3 -90.0 103.6 26.6 22.7 75.5 20 60 A I E +A 35 0A 12 -2,-0.9 15,-0.2 15,-0.2 3,-0.1 -0.695 23.9 169.8 -86.3 111.1 24.1 24.2 73.1 21 61 A E E + 0 0 81 13,-1.6 2,-0.3 -2,-0.8 14,-0.2 0.935 50.8 0.6 -85.4 -54.5 25.7 27.1 71.3 22 62 A D E -A 34 0A 96 12,-1.4 12,-2.2 -18,-0.0 2,-0.6 -0.861 56.1-117.2-139.7 165.0 23.4 28.2 68.4 23 63 A K E +A 33 0A 48 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.958 33.6 171.3-103.5 114.4 20.2 27.7 66.5 24 64 A I E + 0 0 71 8,-2.1 2,-0.3 -2,-0.6 9,-0.2 0.398 57.9 29.1-107.6 -1.4 21.3 26.8 63.0 25 65 A G E +A 32 0A 24 7,-1.6 7,-2.4 2,-0.0 2,-0.3 -0.986 49.3 179.2-158.1 147.5 17.9 25.8 61.5 26 66 A E E +A 31 0A 153 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.967 14.5 152.6-148.0 139.3 14.1 26.5 61.7 27 67 A G - 0 0 45 3,-2.1 3,-0.1 -2,-0.3 -2,-0.0 -0.826 59.6 -89.6-147.0 179.4 11.2 25.0 59.6 28 68 A T S S+ 0 0 119 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 0.748 125.8 36.5 -71.8 -19.9 7.5 24.4 60.3 29 69 A F S S+ 0 0 64 1,-0.2 24,-2.7 23,-0.1 2,-0.3 0.554 123.3 12.2-109.0 -11.6 8.2 20.9 61.8 30 70 A S E - B 0 52A 19 22,-0.3 -3,-2.1 -3,-0.1 2,-0.4 -0.996 49.5-142.3-162.0 154.9 11.6 21.4 63.6 31 71 A S E -AB 26 51A 20 20,-2.2 20,-3.4 -2,-0.3 2,-0.5 -0.962 24.2-150.2-116.9 144.3 14.3 23.6 65.0 32 72 A V E -AB 25 50A 28 -7,-2.4 -8,-2.1 -2,-0.4 -7,-1.6 -0.957 10.3-166.9-121.2 131.9 17.9 22.6 64.8 33 73 A Y E -AB 23 49A 8 16,-3.0 16,-3.2 -2,-0.5 2,-0.4 -0.877 18.8-132.4-116.8 147.7 20.7 23.5 67.2 34 74 A L E +AB 22 48A 23 -12,-2.2 -13,-1.6 -2,-0.3 -12,-1.4 -0.835 38.0 169.8 -93.1 132.8 24.4 23.3 67.1 35 75 A A E -AB 20 47A 0 12,-2.6 12,-3.6 -2,-0.4 2,-0.4 -0.944 29.8-133.2-142.9 159.8 25.9 21.8 70.2 36 76 A T E +AB 19 46A 27 -17,-2.0 -17,-2.6 -2,-0.3 2,-0.3 -0.907 27.5 170.1-114.5 143.3 29.2 20.5 71.7 37 77 A A E - B 0 45A 5 8,-1.6 8,-2.9 -2,-0.4 2,-0.5 -0.948 31.8-115.8-143.1 163.8 29.4 17.2 73.6 38 78 A Q E - B 0 44A 50 -21,-0.5 365,-2.7 365,-0.4 2,-0.4 -0.893 25.9-139.0-101.8 130.8 32.2 15.0 75.0 39 79 A L B > -E 402 0B 23 4,-2.8 3,-1.6 -2,-0.5 363,-0.2 -0.744 12.1-134.3 -84.7 138.0 32.6 11.5 73.5 40 80 A Q T 3 S+ 0 0 121 361,-2.4 -1,-0.1 -2,-0.4 362,-0.1 0.877 107.4 63.0 -50.4 -38.8 33.3 8.6 75.9 41 81 A V T 3 S- 0 0 128 360,-0.4 -1,-0.3 2,-0.1 361,-0.1 0.641 125.1 -93.0 -68.3 -17.2 36.0 7.5 73.4 42 82 A G S < S+ 0 0 46 -3,-1.6 -1,-0.1 1,-0.4 -2,-0.0 -0.281 87.1 81.6 144.0 -61.2 37.9 10.8 73.9 43 83 A P S S- 0 0 80 0, 0.0 -4,-2.8 0, 0.0 -1,-0.4 -0.271 70.6-110.8 -80.4 165.9 37.3 13.8 71.7 44 84 A E E -B 38 0A 135 -6,-0.2 2,-0.4 -8,-0.0 -6,-0.2 -0.635 35.9-153.1 -81.6 153.8 34.7 16.5 71.8 45 85 A E E -B 37 0A 46 -8,-2.9 -8,-1.6 -2,-0.2 2,-0.4 -0.996 15.5-127.1-135.7 138.3 32.1 16.4 69.0 46 86 A K E -B 36 0A 118 -2,-0.4 50,-2.2 -10,-0.2 2,-0.4 -0.680 36.7-166.7 -78.9 130.4 30.0 19.0 67.3 47 87 A I E -BC 35 95A 0 -12,-3.6 -12,-2.6 -2,-0.4 2,-0.6 -0.947 21.2-139.7-127.6 139.5 26.4 17.8 67.3 48 88 A A E -BC 34 94A 11 46,-2.8 46,-1.9 -2,-0.4 2,-0.8 -0.894 17.5-159.7 -97.4 119.4 23.2 18.8 65.5 49 89 A L E -BC 33 93A 0 -16,-3.2 -16,-3.0 -2,-0.6 2,-0.8 -0.879 3.5-162.0-101.9 111.4 20.2 18.7 67.8 50 90 A K E -BC 32 92A 15 42,-3.1 42,-2.6 -2,-0.8 2,-0.8 -0.846 3.2-160.5 -98.3 110.6 16.9 18.5 65.8 51 91 A H E -BC 31 91A 27 -20,-3.4 -20,-2.2 -2,-0.8 2,-0.3 -0.797 10.7-145.4 -94.0 108.5 14.0 19.5 68.0 52 92 A L E -BC 30 90A 7 38,-2.4 38,-0.6 -2,-0.8 -22,-0.3 -0.558 28.2-100.8 -75.6 135.7 10.7 18.2 66.5 53 93 A I > - 0 0 29 -24,-2.7 3,-2.3 -2,-0.3 -1,-0.1 -0.334 30.8-125.5 -53.7 127.4 7.6 20.3 66.9 54 94 A P T 3 S+ 0 0 7 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.561 104.2 70.6 -61.9 -4.6 5.6 18.8 69.8 55 95 A T T 3 S+ 0 0 5 306,-0.1 306,-1.4 307,-0.1 307,-0.7 0.528 72.9 109.2 -84.6 -10.9 2.5 18.6 67.5 56 96 A S S < S- 0 0 3 -3,-2.3 304,-0.1 32,-0.2 -4,-0.0 -0.505 77.0-111.6 -71.5 134.3 4.0 15.8 65.4 57 97 A H > - 0 0 43 -2,-0.2 4,-2.2 1,-0.1 3,-0.3 -0.333 23.4-117.9 -61.2 141.7 2.5 12.3 65.9 58 98 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.836 116.1 56.5 -45.3 -41.4 4.7 9.7 67.6 59 99 A I H > S+ 0 0 34 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.922 106.9 47.8 -59.2 -48.3 4.5 7.6 64.3 60 100 A R H > S+ 0 0 18 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.922 115.1 45.6 -60.0 -46.0 5.9 10.5 62.3 61 101 A I H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.947 114.8 47.3 -60.6 -49.9 8.7 11.1 64.8 62 102 A A H X S+ 0 0 0 -4,-3.0 4,-3.3 1,-0.2 -2,-0.2 0.876 109.4 55.1 -60.5 -41.4 9.5 7.4 65.0 63 103 A A H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.931 109.3 45.0 -58.9 -51.8 9.5 7.0 61.2 64 104 A E H X S+ 0 0 7 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.954 114.2 49.8 -58.4 -50.3 12.1 9.8 60.6 65 105 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.943 110.8 50.9 -51.8 -48.7 14.2 8.3 63.5 66 106 A Q H X S+ 0 0 41 -4,-3.3 4,-2.9 1,-0.2 5,-0.5 0.839 107.2 52.2 -60.2 -38.5 13.8 4.9 61.8 67 107 A C H X>S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 5,-1.3 0.933 113.4 45.2 -61.2 -46.4 14.9 6.2 58.4 68 108 A L H <5S+ 0 0 3 -4,-2.4 12,-0.4 3,-0.2 4,-0.3 0.897 117.4 44.6 -62.3 -41.3 18.0 7.7 60.1 69 109 A T H <5S+ 0 0 24 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.943 125.0 29.6 -68.6 -49.9 18.7 4.5 62.1 70 110 A V H <5S+ 0 0 48 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.937 134.8 22.2 -81.3 -53.0 18.2 2.0 59.3 71 111 A A T <5S+ 0 0 0 -4,-1.8 3,-0.4 -5,-0.5 -3,-0.2 0.778 108.9 82.2 -89.8 -25.9 19.2 3.8 56.1 72 112 A G < + 0 0 12 -5,-1.3 7,-0.4 -4,-0.3 6,-0.2 -0.030 61.4 56.3 -81.4-180.0 21.4 6.5 57.4 73 113 A G S S+ 0 0 62 4,-1.6 2,-0.3 1,-0.2 -1,-0.2 0.425 101.0 70.2 81.6 1.6 25.1 6.7 58.5 74 114 A Q S > S+ 0 0 110 3,-0.5 3,-1.8 -3,-0.4 -1,-0.2 -0.958 89.1 15.9-147.0 160.1 26.2 5.5 55.1 75 115 A D T 3 S- 0 0 76 -2,-0.3 52,-0.2 1,-0.3 -1,-0.1 0.819 127.8 -53.2 42.9 46.8 26.4 6.6 51.4 76 116 A N T 3 S+ 0 0 37 1,-0.3 78,-3.3 -3,-0.1 2,-0.5 0.739 106.5 127.4 67.0 21.4 25.9 10.3 52.2 77 117 A V B < -f 154 0C 5 -3,-1.8 -4,-1.6 76,-0.3 -3,-0.5 -0.963 65.8-115.0-105.6 125.7 22.7 9.7 54.1 78 118 A M - 0 0 15 76,-2.9 2,-0.2 -2,-0.5 -4,-0.2 -0.301 32.2-158.1 -54.9 142.5 22.8 11.3 57.6 79 119 A G - 0 0 11 -7,-0.4 2,-0.4 -6,-0.2 -10,-0.2 -0.590 13.6-113.8-113.6-178.3 22.8 8.9 60.5 80 120 A V - 0 0 25 -12,-0.4 14,-0.3 -2,-0.2 3,-0.1 -0.959 14.7-169.3-125.2 132.2 21.8 9.4 64.2 81 121 A K S S- 0 0 38 12,-2.6 2,-0.3 -2,-0.4 13,-0.2 0.921 73.6 -33.1 -77.6 -52.6 24.0 9.3 67.3 82 122 A Y E -D 93 0A 48 11,-1.4 11,-2.9 318,-0.1 2,-0.4 -0.944 52.1-130.3-159.4 172.7 21.2 9.3 69.8 83 123 A C E -D 92 0A 3 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.996 16.0-157.2-141.5 135.0 17.7 10.5 70.5 84 124 A F E -D 91 0A 11 7,-3.2 7,-3.2 -2,-0.4 2,-0.4 -0.884 12.2-177.4-117.5 141.0 16.4 12.3 73.6 85 125 A R E +D 90 0A 54 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.996 22.7 172.6-142.6 133.0 12.8 12.5 74.8 86 126 A K E > S-D 89 0A 91 3,-2.2 3,-2.3 -2,-0.4 2,-0.2 -0.907 73.6 -61.3-128.5 110.9 10.8 14.1 77.5 87 127 A N T 3 S- 0 0 45 -2,-0.4 297,-0.1 1,-0.3 293,-0.0 -0.339 123.3 -5.3 61.8-119.4 7.1 13.6 76.8 88 128 A D T 3 S+ 0 0 14 -2,-0.2 2,-0.7 -3,-0.1 -1,-0.3 0.376 115.9 96.6 -88.0 2.8 6.1 15.3 73.5 89 129 A H E < + D 0 86A 35 -3,-2.3 -3,-2.2 -79,-0.2 2,-0.4 -0.852 51.5 176.9-100.1 115.6 9.6 16.8 73.2 90 130 A V E -CD 52 85A 0 -2,-0.7 -38,-2.4 -38,-0.6 2,-0.5 -0.975 9.0-171.7-125.0 126.3 11.8 14.7 71.0 91 131 A V E -CD 51 84A 0 -7,-3.2 -7,-3.2 -2,-0.4 2,-0.5 -0.973 9.3-155.1-122.2 117.9 15.4 15.7 70.1 92 132 A I E -CD 50 83A 0 -42,-2.6 -42,-3.1 -2,-0.5 2,-0.5 -0.826 9.9-151.3 -92.9 125.2 17.4 13.8 67.5 93 133 A A E +CD 49 82A 0 -11,-2.9 -12,-2.6 -2,-0.5 -11,-1.4 -0.892 23.4 165.9-101.3 126.5 21.2 14.1 67.8 94 134 A M E -C 48 0A 14 -46,-1.9 -46,-2.8 -2,-0.5 2,-0.2 -0.878 46.8 -85.7-131.1 153.9 23.3 13.7 64.7 95 135 A P E -C 47 0A 45 0, 0.0 2,-0.5 0, 0.0 -48,-0.2 -0.496 51.1-118.0 -59.6 134.2 26.9 14.5 63.8 96 136 A Y - 0 0 52 -50,-2.2 2,-0.7 -2,-0.2 -50,-0.2 -0.650 26.2-161.5 -73.5 123.4 27.1 18.1 62.8 97 137 A L - 0 0 16 -2,-0.5 48,-0.1 56,-0.0 2,-0.1 -0.927 14.1-139.4-107.9 107.9 28.2 18.5 59.2 98 138 A E + 0 0 121 -2,-0.7 2,-0.3 46,-0.1 -2,-0.0 -0.427 36.0 179.5 -63.4 138.3 29.4 22.0 58.6 99 139 A H - 0 0 79 47,-0.1 47,-0.2 -2,-0.1 2,-0.1 -0.971 29.2-107.9-149.1 156.4 28.1 23.1 55.2 100 140 A E - 0 0 60 45,-2.8 45,-0.4 -2,-0.3 2,-0.4 -0.468 35.8-111.8 -80.5 151.6 27.9 25.8 52.5 101 141 A S > - 0 0 57 -2,-0.1 4,-1.4 1,-0.1 5,-0.2 -0.723 28.4-132.1 -74.9 136.5 24.8 27.8 51.7 102 142 A F H > S+ 0 0 18 -2,-0.4 4,-1.7 1,-0.2 3,-0.4 0.918 103.9 52.0 -61.5 -48.4 23.8 26.7 48.3 103 143 A L H > S+ 0 0 72 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.867 107.3 54.3 -48.5 -46.4 23.3 30.3 46.9 104 144 A D H 4 S+ 0 0 124 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.818 118.2 31.8 -66.0 -35.7 26.8 31.2 48.1 105 145 A I H >X S+ 0 0 9 -4,-1.4 3,-2.0 -3,-0.4 4,-1.1 0.615 95.8 92.4 -96.9 -13.6 28.6 28.5 46.3 106 146 A L H >< S+ 0 0 2 -4,-1.7 3,-0.7 1,-0.3 -2,-0.1 0.885 92.2 37.4 -49.4 -54.3 26.3 28.2 43.3 107 147 A N T 3< S+ 0 0 57 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.358 117.5 54.1 -85.4 8.3 28.1 30.5 41.0 108 148 A S T <4 S+ 0 0 56 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.479 75.2 111.8-121.5 -3.2 31.6 29.4 42.2 109 149 A L << - 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0 0 7 -5,-0.7 3,-0.3 -6,-0.3 -1,-0.2 -0.948 45.6-153.2-116.4 125.5 19.9 30.2 39.1 221 412 A Y S S+ 0 0 50 130,-2.3 132,-0.1 -2,-0.5 2,-0.1 -0.975 83.1 23.8-147.9 130.9 18.5 29.4 42.5 222 413 A P S S- 0 0 46 0, 0.0 -1,-0.4 0, 0.0 3,-0.1 0.531 79.2-176.1 -74.5 140.5 15.8 29.0 43.3 223 414 A F S S+ 0 0 0 -3,-0.3 2,-0.8 1,-0.2 132,-0.5 0.998 77.7 38.0 -66.2 -64.5 15.1 28.0 39.7 224 415 A Y S S- 0 0 6 -37,-0.3 2,-0.7 129,-0.1 -1,-0.2 -0.805 76.9-170.3 -84.1 111.1 11.3 27.6 40.0 225 416 A K + 0 0 101 -2,-0.8 2,-0.3 -3,-0.1 10,-0.0 -0.912 27.0 141.5-107.3 106.6 10.2 30.3 42.4 226 417 A A - 0 0 22 -2,-0.7 -39,-0.4 1,-0.1 -2,-0.0 -0.998 45.9-154.8-150.4 139.4 6.5 29.5 43.3 227 418 A S S S+ 0 0 112 -2,-0.3 2,-0.3 -41,-0.1 -1,-0.1 0.600 83.7 33.7 -95.9 -10.0 4.5 29.7 46.5 228 419 A D S > S- 0 0 66 1,-0.1 4,-1.8 -43,-0.1 3,-0.1 -0.920 85.3-105.8-141.9 171.5 2.0 27.0 45.4 229 420 A D H > S+ 0 0 35 -2,-0.3 4,-2.1 1,-0.2 -35,-0.1 0.860 111.9 48.9 -67.3 -41.2 1.9 23.8 43.4 230 421 A L H > S+ 0 0 8 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.796 107.7 54.7 -77.9 -29.6 0.2 25.0 40.2 231 422 A T H > S+ 0 0 14 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.917 109.5 48.2 -62.5 -46.1 2.4 28.0 39.7 232 423 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.915 112.1 50.8 -58.9 -40.4 5.4 25.6 39.9 233 424 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.896 109.2 49.4 -63.7 -42.7 3.5 23.5 37.4 234 425 A A H X S+ 0 0 2 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.922 112.2 48.9 -59.3 -46.4 3.0 26.5 35.1 235 426 A Q H X S+ 0 0 9 -4,-2.9 4,-1.0 1,-0.2 3,-0.3 0.911 109.2 52.0 -61.9 -40.6 6.7 27.2 35.4 236 427 A I H >X S+ 0 0 0 -4,-2.7 4,-3.4 1,-0.2 3,-0.7 0.904 106.5 54.7 -60.9 -38.3 7.6 23.6 34.6 237 428 A M H 3X S+ 0 0 2 -4,-2.2 4,-1.6 1,-0.3 -1,-0.2 0.841 103.4 55.3 -64.9 -30.8 5.4 23.8 31.5 238 429 A T H 3< S+ 0 0 9 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.757 117.2 36.5 -74.3 -23.7 7.3 26.8 30.3 239 430 A I H << S+ 0 0 0 -4,-1.0 26,-2.7 -3,-0.7 -2,-0.2 0.890 131.0 26.7 -89.6 -48.4 10.6 24.8 30.6 240 431 A R H < S- 0 0 28 -4,-3.4 24,-0.3 24,-0.2 -3,-0.2 0.462 118.3 -97.4-100.0 -6.3 9.5 21.3 29.5 241 432 A G X - 0 0 0 -4,-1.6 4,-1.5 -5,-0.4 -3,-0.2 0.337 14.8-118.3 97.3 134.1 6.6 22.4 27.3 242 433 A S H > S+ 0 0 2 20,-2.3 4,-2.7 2,-0.2 5,-0.2 0.935 114.6 49.6 -71.3 -46.4 2.8 22.5 28.0 243 434 A R H > S+ 0 0 137 19,-0.6 4,-2.5 1,-0.2 5,-0.2 0.924 112.2 48.6 -52.6 -50.4 1.9 20.0 25.3 244 435 A E H > S+ 0 0 82 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.847 112.6 48.9 -61.8 -33.8 4.6 17.6 26.6 245 436 A T H X S+ 0 0 2 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.927 110.6 48.6 -74.1 -45.3 3.3 18.1 30.2 246 437 A I H X S+ 0 0 38 -4,-2.7 4,-1.8 2,-0.2 10,-0.2 0.925 112.0 50.7 -57.1 -48.6 -0.4 17.5 29.3 247 438 A Q H X S+ 0 0 104 -4,-2.5 4,-1.0 1,-0.2 3,-0.4 0.951 112.8 45.0 -54.5 -53.9 0.6 14.3 27.3 248 439 A A H < S+ 0 0 11 -4,-2.0 4,-0.5 1,-0.2 3,-0.3 0.841 108.4 56.5 -61.1 -38.6 2.6 12.9 30.2 249 440 A A H ><>S+ 0 0 2 -4,-2.3 5,-2.3 1,-0.2 3,-1.3 0.858 98.1 62.7 -64.5 -33.7 -0.0 13.7 32.8 250 441 A K H ><5S+ 0 0 100 -4,-1.8 3,-1.8 -3,-0.4 -1,-0.2 0.903 96.2 60.6 -54.0 -42.7 -2.6 11.7 30.9 251 442 A T T 3<5S+ 0 0 88 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.673 107.7 44.2 -63.1 -21.6 -0.4 8.6 31.5 252 443 A F T < 5S- 0 0 28 -3,-1.3 -1,-0.3 -4,-0.5 -53,-0.2 0.063 124.2 -95.0-115.5 29.0 -0.8 9.1 35.3 253 444 A G T < 5S+ 0 0 23 -3,-1.8 74,-2.6 1,-0.2 75,-0.5 0.656 86.2 118.4 85.3 16.5 -4.6 9.8 35.4 254 445 A K E < -I 326 0E 1 -5,-2.3 2,-0.6 72,-0.2 -1,-0.2 -0.943 48.7-153.4-119.0 141.5 -4.5 13.5 35.4 255 446 A S E -I 325 0E 36 70,-3.3 70,-2.4 -2,-0.4 2,-0.5 -0.949 13.4-165.9-116.6 111.7 -6.0 15.8 32.8 256 447 A I E -I 324 0E 7 -2,-0.6 2,-0.4 -10,-0.2 68,-0.2 -0.865 5.4-168.3-103.1 128.5 -4.4 19.2 32.4 257 448 A L E -I 323 0E 91 66,-3.1 66,-3.3 -2,-0.5 2,-0.4 -0.948 10.8-171.0-111.2 134.3 -6.0 22.0 30.5 258 449 A C E -I 322 0E 23 -2,-0.4 64,-0.2 64,-0.2 3,-0.1 -0.984 21.5-149.6-132.4 138.7 -3.7 25.0 29.8 259 450 A S S S+ 0 0 36 62,-2.5 2,-0.5 -2,-0.4 -1,-0.1 0.955 85.6 38.8 -71.7 -56.3 -4.6 28.5 28.4 260 451 A K S S- 0 0 99 61,-0.2 2,-0.4 2,-0.0 -1,-0.2 -0.875 79.3-136.8 -99.5 125.9 -1.4 29.4 26.6 261 452 A E - 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0 0 1 1,-0.2 3,-2.0 -132,-0.1 -130,-0.1 -0.384 22.9-130.9 -51.5 131.9 15.1 32.9 39.3 354 252 B P T 3 S+ 0 0 0 0, 0.0 -9,-3.1 0, 0.0 -1,-0.2 0.592 110.7 61.1 -60.6 -8.9 14.3 33.3 35.6 355 253 B F T 3 0 0 28 -132,-0.5 -11,-0.1 -11,-0.2 -2,-0.1 0.181 360.0 360.0-104.9 15.3 10.7 33.5 36.9 356 254 B D < 0 0 97 -3,-2.0 -8,-0.1 -11,-0.2 -11,-0.1 -0.560 360.0 360.0 -95.2 360.0 11.4 36.5 39.1 357 ! 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 0.0 358 294 B G 0 0 67 0, 0.0 9,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-175.8 -1.3 25.3 62.9 359 295 B Y E -K 366 0F 111 7,-0.3 2,-0.7 9,-0.0 7,-0.2 -0.999 360.0-135.7-137.0 132.4 -2.7 21.8 63.3 360 296 B C E >> -K 365 0F 0 5,-3.0 5,-1.4 -2,-0.4 4,-1.0 -0.806 7.7-166.0 -95.7 115.5 -1.8 19.2 66.0 361 297 B E T 45S+ 0 0 42 -306,-1.4 -305,-0.2 -2,-0.7 -1,-0.1 0.635 88.8 54.9 -68.2 -17.8 -1.4 15.7 64.6 362 298 B C T 45S+ 0 0 9 -307,-0.7 -1,-0.2 1,-0.1 -306,-0.1 0.926 117.7 29.1 -83.5 -50.3 -1.6 14.3 68.1 363 299 B C T 45S- 0 0 15 2,-0.2 -2,-0.2 -308,-0.1 -1,-0.1 0.441 101.4-129.4 -88.8 -3.0 -4.9 15.7 69.3 364 300 B L T <5 + 0 0 136 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.924 68.0 118.8 52.6 49.0 -6.3 15.7 65.7 365 301 B Q E < -K 360 0F 70 -5,-1.4 -5,-3.0 0, 0.0 2,-0.3 -0.999 68.1-116.8-145.9 144.7 -7.3 19.4 66.1 366 302 B K E -K 359 0F 159 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.3 -0.624 36.6-163.3 -74.8 135.1 -6.6 22.8 64.5 367 303 B Y - 0 0 30 -9,-2.3 3,-0.1 -2,-0.3 -1,-0.0 -0.819 22.8-156.9-119.5 162.9 -5.0 25.2 67.0 368 304 B E S S+ 0 0 161 1,-0.3 2,-0.5 -2,-0.3 -1,-0.1 0.754 86.0 33.2-106.8 -37.7 -4.5 29.0 67.0 369 305 B D > - 0 0 91 1,-0.2 4,-3.1 -11,-0.0 -1,-0.3 -0.961 65.3-156.6-123.5 114.3 -1.6 29.4 69.4 370 306 B L H > S+ 0 0 45 -2,-0.5 4,-2.9 1,-0.2 5,-0.2 0.941 95.5 47.3 -48.4 -58.5 1.1 26.7 69.5 371 307 B E H > S+ 0 0 107 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.856 115.6 44.9 -53.8 -42.4 2.3 27.5 73.0 372 308 B T H 4 S+ 0 0 87 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.860 112.6 50.7 -76.5 -36.1 -1.2 27.6 74.4 373 309 B H H >< S+ 0 0 8 -4,-3.1 3,-1.4 1,-0.2 6,-0.4 0.893 109.1 52.6 -61.4 -42.0 -2.3 24.4 72.6 374 310 B L H 3< S+ 0 0 32 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.882 109.0 50.0 -60.1 -40.0 0.8 22.7 74.0 375 311 B L T 3< S+ 0 0 154 -4,-1.6 -1,-0.3 -5,-0.2 2,-0.2 0.268 89.6 109.3 -84.3 10.9 -0.3 23.9 77.5 376 312 B S S <> S- 0 0 39 -3,-1.4 4,-2.5 1,-0.1 5,-0.2 -0.569 77.4-120.9 -87.1 154.5 -3.8 22.5 77.1 377 313 B E H > S+ 0 0 161 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.795 110.2 54.4 -67.9 -30.7 -5.0 19.5 79.0 378 314 B Q H > S+ 0 0 107 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.878 113.1 43.2 -72.5 -36.5 -5.8 17.4 76.0 379 315 B H H > S+ 0 0 1 -6,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.881 112.7 53.2 -70.0 -38.0 -2.3 17.9 74.6 380 316 B R H X S+ 0 0 33 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.874 107.1 53.2 -63.1 -37.3 -0.9 17.3 78.1 381 317 B N H < S+ 0 0 105 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.892 112.3 42.5 -64.3 -44.2 -2.8 14.0 78.2 382 318 B F H >< S+ 0 0 27 -4,-1.5 3,-1.4 1,-0.2 5,-0.4 0.904 111.7 55.8 -67.8 -43.6 -1.4 12.8 74.9 383 319 B A H 3< S+ 0 0 4 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.772 109.3 46.1 -59.0 -31.8 2.2 14.0 75.7 384 320 B Q T 3< S+ 0 0 139 -4,-1.4 -1,-0.3 -5,-0.1 2,-0.2 0.081 99.9 93.5-104.4 22.4 2.4 12.1 79.0 385 321 B S S X S- 0 0 35 -3,-1.4 3,-1.0 -5,-0.0 -3,-0.1 -0.608 91.9 -93.3-112.6 172.6 1.0 8.8 77.7 386 322 B N G > S+ 0 0 136 1,-0.2 3,-1.6 -2,-0.2 4,-0.2 0.336 94.8 102.6 -58.0 2.3 2.3 5.4 76.2 387 323 B Q G > S+ 0 0 77 -5,-0.4 3,-0.5 1,-0.3 -1,-0.2 0.735 73.8 56.7 -66.8 -25.0 1.9 6.9 72.7 388 324 B Y G X> S+ 0 0 1 -3,-1.0 4,-2.1 1,-0.2 3,-0.9 0.281 72.7 102.7 -91.2 8.7 5.6 7.5 72.3 389 325 B Q H <> S+ 0 0 94 -3,-1.6 4,-2.9 1,-0.3 -1,-0.2 0.871 75.6 61.8 -57.7 -37.7 6.6 3.9 72.9 390 326 B V H <> S+ 0 0 33 -3,-0.5 4,-0.7 -4,-0.2 -1,-0.3 0.837 108.0 43.2 -56.3 -33.1 7.1 3.6 69.2 391 327 B V H <> S+ 0 0 0 -3,-0.9 4,-2.2 2,-0.2 3,-0.4 0.877 112.6 52.1 -78.6 -40.9 9.8 6.2 69.5 392 328 B D H X S+ 0 0 46 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.831 101.5 61.6 -67.3 -34.3 11.3 4.6 72.7 393 329 B D H < S+ 0 0 93 -4,-2.9 -1,-0.2 2,-0.2 4,-0.2 0.858 109.7 40.8 -55.9 -40.8 11.5 1.2 71.0 394 330 B I H >< S+ 0 0 9 -4,-0.7 3,-2.1 -3,-0.4 4,-0.3 0.920 111.5 55.2 -74.7 -46.9 13.9 2.7 68.4 395 331 B V H >< S+ 0 0 19 -4,-2.2 3,-2.1 1,-0.3 -2,-0.2 0.892 101.0 59.4 -54.3 -39.9 15.9 4.8 70.9 396 332 B S T 3< S+ 0 0 93 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.674 98.9 61.0 -65.3 -13.0 16.5 1.6 72.9 397 333 B K T < S+ 0 0 138 -3,-2.1 2,-0.3 -4,-0.2 -1,-0.3 0.538 91.7 87.0 -86.2 -9.4 18.2 0.3 69.8 398 334 B L S < S- 0 0 28 -3,-2.1 2,-0.5 -4,-0.3 -317,-0.1 -0.700 76.8-123.8-100.2 145.5 20.9 3.0 69.8 399 335 B V - 0 0 109 -2,-0.3 2,-0.7 -318,-0.1 -2,-0.1 -0.744 18.2-142.3 -86.3 124.3 24.2 3.2 71.6 400 336 B F + 0 0 48 -2,-0.5 -318,-0.1 1,-0.1 -319,-0.0 -0.782 31.3 163.0 -82.1 114.2 24.7 6.1 73.9 401 337 B D + 0 0 41 -2,-0.7 -361,-2.4 -320,-0.1 -360,-0.4 0.242 36.3 103.6-123.3 15.7 28.3 7.2 73.5 402 338 B F B S-E 39 0B 0 -363,-0.2 2,-0.5 -362,-0.1 -363,-0.2 -0.572 77.0-108.6 -85.4 157.7 28.4 10.7 75.0 403 339 B V - 0 0 39 -365,-2.7 2,-0.4 -2,-0.2 -365,-0.4 -0.787 34.2-148.8 -84.4 128.3 29.7 11.5 78.4 404 340 B E - 0 0 116 -2,-0.5 2,-0.3 -386,-0.0 -387,-0.2 -0.855 6.0-153.4-102.6 132.1 26.9 12.3 80.8 405 341 B Y 0 0 131 -389,-2.4 -389,-0.0 -2,-0.4 -390,-0.0 -0.725 360.0 360.0-101.4 152.6 27.3 14.8 83.8 406 342 B E 0 0 144 -2,-0.3 -1,-0.0 -390,-0.0 0, 0.0 -0.536 360.0 360.0 -77.6 360.0 25.3 14.8 87.0