==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-AUG-07 2R3K . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.O.FISCHMANN,A.W.HRUZA,V.M.MADISON,J.S.DUCA . 278 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14329.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 12.9 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 19 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 0 1 0 0 2 0 1 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 0 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 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 1 A M > 0 0 39 0, 0.0 3,-2.3 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 -30.3 -13.3 31.4 -2.8 2 2 A E T 3 + 0 0 150 1,-0.3 22,-0.0 3,-0.0 0, 0.0 0.616 360.0 72.0 -60.4 -9.0 -13.2 31.4 -6.6 3 3 A N T 3 S+ 0 0 71 20,-0.1 21,-1.5 21,-0.1 22,-0.6 0.350 92.6 68.4 -86.4 3.0 -10.8 34.3 -6.1 4 4 A F E < -A 23 0A 25 -3,-2.3 2,-0.5 19,-0.2 19,-0.2 -0.981 62.6-154.1-132.0 140.7 -8.1 32.0 -4.7 5 5 A Q E -A 22 0A 92 17,-2.6 17,-2.6 -2,-0.4 2,-0.3 -0.945 25.9-130.6-110.9 119.6 -5.9 29.3 -6.2 6 6 A K E +A 21 0A 108 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.559 27.0 176.9 -70.8 128.2 -4.7 26.7 -3.7 7 7 A V E - 0 0 58 13,-2.9 2,-0.3 1,-0.4 14,-0.2 0.835 59.6 -33.8 -97.8 -45.7 -1.0 26.2 -3.9 8 8 A E E -A 20 0A 106 12,-1.6 12,-3.5 0, 0.0 2,-0.5 -0.972 58.0 -93.7-171.7 158.3 -0.4 23.7 -1.1 9 9 A K E -A 19 0A 108 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.681 30.7-175.4 -80.2 123.2 -1.5 22.6 2.4 10 10 A I E - 0 0 60 8,-2.4 2,-0.2 -2,-0.5 9,-0.2 0.027 59.9 -50.2-109.7 27.5 0.7 24.2 5.0 11 11 A G E - 0 0 23 7,-0.4 7,-2.1 2,-0.0 2,-0.5 -0.707 55.0 -87.2 133.4 175.5 -0.7 22.4 7.9 12 12 A E E -A 17 0A 158 5,-0.2 5,-0.2 -2,-0.2 7,-0.0 -0.834 44.0-158.7-124.8 88.8 -3.9 21.4 9.8 13 13 A G - 0 0 25 3,-1.1 -2,-0.0 -2,-0.5 5,-0.0 0.101 34.8 -98.1 -55.7 178.9 -4.8 24.2 12.1 14 14 A T S S+ 0 0 66 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 0.763 123.5 36.9 -73.4 -25.1 -7.1 23.6 15.1 15 15 A Y S S- 0 0 89 1,-0.3 2,-0.3 20,-0.0 -1,-0.2 0.736 129.4 -43.2 -98.9 -29.4 -10.1 24.9 13.2 16 16 A G S S- 0 0 21 19,-0.2 -3,-1.1 0, 0.0 -1,-0.3 -0.971 78.8 -45.1-178.8-173.6 -9.4 23.6 9.7 17 17 A V E -A 12 0A 32 17,-0.3 17,-2.3 -2,-0.3 2,-0.5 -0.536 47.0-145.5 -77.2 141.6 -6.8 23.1 7.0 18 18 A V E - B 0 33A 27 -7,-2.1 -8,-2.4 15,-0.2 -7,-0.4 -0.932 18.1-167.9-109.6 131.2 -4.5 26.0 6.2 19 19 A Y E -AB 9 32A 42 13,-2.9 13,-3.7 -2,-0.5 2,-0.4 -0.951 25.7-129.9-121.5 141.8 -3.4 26.5 2.6 20 20 A K E +AB 8 31A 44 -12,-3.5 -13,-2.9 -2,-0.4 -12,-1.6 -0.716 48.4 174.6 -79.1 135.0 -0.8 28.6 0.9 21 21 A A E -AB 6 30A 0 9,-3.0 9,-3.1 -2,-0.4 2,-0.4 -0.979 31.6-130.8-146.4 161.8 -2.8 30.3 -1.8 22 22 A R E -AB 5 29A 91 -17,-2.6 -17,-2.6 -2,-0.3 2,-0.9 -0.935 23.4-125.4-117.8 131.9 -2.6 32.8 -4.6 23 23 A N E > -A 4 0A 25 5,-3.1 4,-2.4 -2,-0.4 -19,-0.2 -0.671 16.6-150.0 -73.9 106.4 -5.1 35.6 -5.1 24 24 A K T 4 S+ 0 0 127 -21,-1.5 -1,-0.2 -2,-0.9 -20,-0.1 0.707 93.7 43.8 -51.7 -17.5 -6.1 35.1 -8.7 25 25 A L T 4 S+ 0 0 131 -22,-0.6 -1,-0.1 3,-0.1 -21,-0.0 0.870 126.2 18.8 -89.2 -88.6 -6.6 38.8 -8.8 26 26 A T T 4 S- 0 0 102 1,-0.1 -2,-0.2 2,-0.0 3,-0.1 0.698 94.3-127.6 -58.2 -23.4 -3.8 40.8 -7.0 27 27 A G < + 0 0 40 -4,-2.4 -1,-0.1 1,-0.3 -3,-0.1 0.471 54.6 157.5 84.0 2.1 -1.5 37.8 -7.3 28 28 A E - 0 0 98 -5,-0.2 -5,-3.1 -6,-0.1 2,-0.5 -0.264 40.4-133.9 -59.3 142.2 -0.9 38.1 -3.6 29 29 A V E +B 22 0A 57 -7,-0.2 46,-0.6 -3,-0.1 2,-0.3 -0.907 38.8 163.5-102.8 125.2 0.4 35.0 -1.9 30 30 A V E -BC 21 74A 1 -9,-3.1 -9,-3.0 -2,-0.5 2,-0.5 -0.866 43.1-107.6-135.2 172.6 -1.5 34.3 1.4 31 31 A A E -BC 20 73A 11 42,-2.6 42,-3.1 -2,-0.3 2,-0.6 -0.914 34.3-158.0-103.7 125.0 -2.3 31.7 4.0 32 32 A L E -BC 19 72A 7 -13,-3.7 -13,-2.9 -2,-0.5 2,-0.5 -0.930 5.5-166.3-111.4 115.3 -5.9 30.6 3.6 33 33 A K E -BC 18 71A 2 38,-2.6 38,-2.3 -2,-0.6 2,-0.7 -0.874 7.3-154.9-102.5 127.2 -7.6 29.0 6.6 34 34 A K E C 0 70A 84 -17,-2.3 -17,-0.3 -2,-0.5 36,-0.2 -0.880 360.0 360.0-101.9 110.7 -10.9 27.1 6.2 35 35 A I 0 0 66 34,-2.7 34,-0.6 -2,-0.7 -19,-0.2 -0.533 360.0 360.0 -81.4 360.0 -12.8 27.1 9.4 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 44 A V 0 0 64 0, 0.0 2,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 142.1 -21.7 30.5 11.2 38 45 A P > - 0 0 85 0, 0.0 4,-2.1 0, 0.0 3,-0.3 -0.383 360.0-133.8 -63.4 131.1 -22.6 32.0 14.6 39 46 A S H > S+ 0 0 68 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.877 106.6 57.8 -51.5 -42.6 -23.0 35.8 14.5 40 47 A T H > S+ 0 0 101 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.928 105.9 48.7 -55.4 -47.4 -20.9 36.1 17.6 41 48 A A H > S+ 0 0 32 -3,-0.3 4,-2.9 1,-0.2 5,-0.3 0.932 111.8 49.2 -58.6 -47.9 -18.0 34.3 15.8 42 49 A I H X S+ 0 0 40 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.912 114.5 45.0 -58.5 -44.4 -18.3 36.6 12.8 43 50 A R H X S+ 0 0 157 -4,-2.9 4,-1.5 2,-0.2 -2,-0.2 0.917 113.7 48.4 -67.6 -44.4 -18.4 39.7 15.0 44 51 A E H X S+ 0 0 43 -4,-3.1 4,-1.3 -5,-0.2 3,-0.4 0.943 113.2 47.6 -60.7 -49.0 -15.5 38.6 17.2 45 52 A I H X S+ 0 0 16 -4,-2.9 4,-1.0 1,-0.2 3,-0.4 0.905 105.6 59.0 -59.1 -42.6 -13.4 37.7 14.2 46 53 A S H >< S+ 0 0 46 -4,-2.1 3,-0.6 -5,-0.3 4,-0.3 0.866 102.2 55.0 -56.0 -34.3 -14.2 41.0 12.6 47 54 A L H >X S+ 0 0 109 -4,-1.5 3,-1.8 -3,-0.4 4,-0.6 0.888 99.1 60.9 -65.9 -39.0 -12.7 42.7 15.6 48 55 A L H >< S+ 0 0 14 -4,-1.3 3,-0.9 -3,-0.4 11,-0.3 0.781 90.3 70.6 -59.5 -27.7 -9.4 40.8 15.1 49 56 A K T << S+ 0 0 69 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.717 99.4 47.4 -62.7 -22.1 -9.1 42.5 11.7 50 57 A E T <4 S+ 0 0 158 -3,-1.8 2,-2.2 -4,-0.3 -1,-0.3 0.605 84.7 96.7 -93.6 -14.7 -8.3 45.8 13.4 51 58 A L << + 0 0 16 -3,-0.9 2,-0.4 -4,-0.6 8,-0.2 -0.493 58.4 168.5 -77.9 74.9 -5.8 44.2 15.8 52 59 A N + 0 0 74 -2,-2.2 5,-0.1 6,-0.1 6,-0.0 -0.788 6.7 144.1-100.8 130.4 -2.7 45.2 13.7 53 60 A H > - 0 0 44 -2,-0.4 3,-2.2 3,-0.4 54,-0.0 -0.977 55.4-114.3-159.9 146.6 0.9 44.9 14.9 54 61 A P T 3 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 53,-0.0 0.724 117.3 47.8 -58.4 -23.9 4.3 44.1 13.3 55 62 A N T 3 S+ 0 0 10 80,-0.1 81,-2.6 48,-0.1 2,-0.4 0.117 98.7 81.1-105.0 22.3 4.6 40.9 15.5 56 63 A I B < S-e 136 0B 9 -3,-2.2 -3,-0.4 79,-0.3 81,-0.2 -0.994 90.1-112.8-126.0 124.4 1.0 39.7 14.8 57 64 A V - 0 0 9 79,-3.0 2,-0.3 -2,-0.4 82,-0.1 -0.420 43.4-115.9 -57.3 122.2 0.3 37.8 11.6 58 65 A K - 0 0 87 -2,-0.2 16,-2.5 -4,-0.1 2,-0.9 -0.469 15.1-142.1 -69.9 126.9 -2.0 40.2 9.7 59 66 A L E -D 73 0A 12 -2,-0.3 14,-0.3 -11,-0.3 3,-0.1 -0.791 21.2-175.4 -86.6 106.9 -5.6 39.0 9.1 60 67 A L E - 0 0 38 12,-2.2 2,-0.3 -2,-0.9 13,-0.2 0.920 56.6 -14.8 -73.0 -48.3 -6.2 40.4 5.6 61 68 A D E -D 72 0A 96 11,-1.5 11,-3.1 2,-0.0 2,-0.5 -0.995 49.8-137.4-157.4 157.8 -9.8 39.5 5.1 62 69 A V E -D 71 0A 27 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.980 20.4-165.3-120.9 125.2 -12.6 37.3 6.4 63 70 A I E -D 70 0A 39 7,-3.5 7,-2.5 -2,-0.5 2,-0.6 -0.915 6.7-176.9-120.0 111.5 -14.8 35.5 3.8 64 71 A H E +D 69 0A 76 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.906 21.4 144.8-105.9 119.0 -18.2 34.0 4.8 65 72 A T E > +D 68 0A 55 3,-2.1 3,-1.5 -2,-0.6 -2,-0.0 -0.966 63.9 10.2-154.9 136.4 -20.0 32.2 2.1 66 73 A E T 3 S- 0 0 175 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.837 130.0 -63.0 65.9 30.4 -22.2 29.1 2.0 67 74 A N T 3 S+ 0 0 133 1,-0.3 -1,-0.3 -30,-0.1 2,-0.3 0.674 115.0 130.9 65.4 13.0 -22.2 29.3 5.8 68 75 A K E < - D 0 65A 37 -3,-1.5 -3,-2.1 -31,-0.1 2,-0.5 -0.696 48.3-150.0 -97.8 150.5 -18.5 28.7 5.2 69 76 A L E + D 0 64A 9 -34,-0.6 -34,-2.7 -2,-0.3 2,-0.4 -0.979 14.7 178.2-128.3 122.9 -15.8 30.8 6.8 70 77 A Y E -CD 34 63A 28 -7,-2.5 -7,-3.5 -2,-0.5 2,-0.5 -0.984 12.2-158.2-122.0 135.5 -12.4 31.5 5.3 71 78 A L E -CD 33 62A 2 -38,-2.3 -38,-2.6 -2,-0.4 2,-0.6 -0.947 7.7-154.0-112.8 126.5 -9.7 33.7 6.9 72 79 A V E -CD 32 61A 3 -11,-3.1 -12,-2.2 -2,-0.5 -11,-1.5 -0.900 20.8-179.9-103.4 120.3 -7.1 35.1 4.6 73 80 A F E -CD 31 59A 21 -42,-3.1 -42,-2.6 -2,-0.6 -14,-0.2 -0.843 37.3 -90.5-116.2 161.8 -3.8 35.9 6.4 74 81 A E E -C 30 0A 47 -16,-2.5 2,-0.4 -2,-0.3 -44,-0.2 -0.345 51.7-119.9 -59.4 145.6 -0.4 37.3 5.5 75 82 A F - 0 0 35 -46,-0.6 2,-0.4 -45,-0.1 -1,-0.1 -0.821 28.3-173.9 -99.9 131.8 1.8 34.4 4.5 76 83 A L - 0 0 16 -2,-0.4 53,-0.1 1,-0.1 52,-0.0 -0.966 21.3-139.2-123.0 140.5 5.1 33.5 6.3 77 84 A H S S+ 0 0 111 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.754 76.2 27.1 -71.5 -31.0 7.4 30.9 5.0 78 85 A Q E -F 128 0B 27 50,-1.3 50,-3.0 202,-0.1 2,-0.3 -0.961 60.6-145.9-137.2 157.1 8.5 29.2 8.2 79 86 A D E > -F 127 0B 18 -2,-0.3 4,-2.1 48,-0.3 48,-0.3 -0.749 32.6-109.9-115.0 163.2 7.4 28.5 11.7 80 87 A L H > S+ 0 0 0 46,-2.9 4,-2.8 43,-1.0 44,-0.2 0.807 114.2 57.6 -62.6 -32.4 9.4 28.2 15.0 81 88 A K H > S+ 0 0 99 42,-0.7 4,-2.8 45,-0.3 -1,-0.2 0.969 109.5 43.8 -63.8 -49.8 8.9 24.5 15.3 82 89 A K H > S+ 0 0 121 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.901 115.6 49.3 -60.4 -40.7 10.4 23.8 11.9 83 90 A F H X S+ 0 0 9 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.889 110.7 49.2 -67.3 -40.8 13.2 26.3 12.7 84 91 A M H < S+ 0 0 21 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.930 112.3 48.7 -63.4 -42.4 13.9 24.7 16.1 85 92 A D H >< S+ 0 0 100 -4,-2.8 3,-1.4 1,-0.2 4,-0.2 0.943 112.5 48.7 -61.5 -47.1 14.0 21.3 14.4 86 93 A A H 3< S+ 0 0 78 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.769 115.1 44.1 -62.6 -30.9 16.4 22.6 11.7 87 94 A S T 3X S+ 0 0 17 -4,-1.7 4,-3.5 1,-0.2 -1,-0.3 0.130 81.7 111.5-100.4 16.2 18.7 24.2 14.4 88 95 A A T <4 S+ 0 0 43 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.817 72.6 50.7 -63.1 -36.4 18.6 21.2 16.7 89 96 A L T 4 S+ 0 0 170 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.832 129.2 20.5 -71.2 -33.9 22.3 20.1 16.3 90 97 A T T 4 S- 0 0 104 -3,-0.2 -2,-0.2 3,-0.0 -1,-0.1 0.708 103.5-133.2-104.6 -32.2 23.7 23.6 17.0 91 98 A G < - 0 0 8 -4,-3.5 -3,-0.1 -7,-0.2 88,-0.1 0.187 35.6 -68.2 85.3 151.8 20.8 25.3 18.8 92 99 A I - 0 0 13 86,-0.5 5,-0.1 1,-0.1 89,-0.0 -0.598 63.0-103.0 -73.4 130.6 19.4 28.8 18.0 93 100 A P >> - 0 0 78 0, 0.0 4,-2.4 0, 0.0 3,-1.0 -0.255 27.0-119.2 -55.0 138.9 22.1 31.4 19.0 94 101 A L H 3> S+ 0 0 67 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.870 112.5 56.4 -48.4 -43.4 21.2 33.2 22.3 95 102 A P H 3> S+ 0 0 66 0, 0.0 4,-2.3 0, 0.0 177,-0.4 0.881 110.3 44.9 -60.5 -35.3 21.0 36.6 20.6 96 103 A L H <> S+ 0 0 5 -3,-1.0 4,-2.8 2,-0.2 5,-0.2 0.894 111.9 51.7 -75.9 -39.5 18.4 35.3 18.2 97 104 A I H X S+ 0 0 5 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.947 111.9 47.8 -58.3 -46.8 16.5 33.5 21.0 98 105 A K H X S+ 0 0 12 -4,-3.0 4,-2.7 -5,-0.2 5,-0.2 0.941 111.6 49.7 -62.3 -43.0 16.5 36.9 22.9 99 106 A S H X S+ 0 0 4 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.925 112.8 47.0 -60.9 -47.1 15.3 38.8 19.8 100 107 A Y H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.947 112.9 48.4 -61.6 -47.0 12.5 36.3 19.2 101 108 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.933 112.5 49.6 -59.4 -44.5 11.4 36.4 22.9 102 109 A F H X S+ 0 0 54 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.935 112.1 47.1 -60.1 -50.3 11.5 40.3 22.9 103 110 A Q H X S+ 0 0 6 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.893 111.8 50.2 -59.9 -44.9 9.4 40.5 19.7 104 111 A L H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 -1,-0.2 0.913 109.3 51.8 -61.8 -40.8 6.8 38.0 21.0 105 112 A L H X S+ 0 0 0 -4,-2.4 4,-3.2 -5,-0.2 -2,-0.2 0.904 108.0 51.9 -62.8 -37.4 6.6 39.9 24.2 106 113 A Q H X S+ 0 0 65 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.948 111.4 47.6 -63.0 -46.1 6.0 43.1 22.2 107 114 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.927 114.8 45.2 -57.3 -48.8 3.2 41.3 20.3 108 115 A L H X S+ 0 0 0 -4,-3.1 4,-3.3 1,-0.2 5,-0.3 0.930 109.0 55.5 -62.0 -47.9 1.7 39.9 23.6 109 116 A A H X S+ 0 0 19 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.907 111.3 47.0 -50.8 -44.3 2.0 43.4 25.3 110 117 A F H X S+ 0 0 46 -4,-2.2 4,-0.9 -5,-0.2 -2,-0.2 0.967 115.0 42.2 -62.6 -58.3 -0.1 44.8 22.3 111 118 A C H ><>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 3,-1.2 0.927 114.7 51.8 -56.2 -47.9 -2.8 42.1 22.3 112 119 A H H ><5S+ 0 0 25 -4,-3.3 3,-1.8 1,-0.3 -1,-0.2 0.841 101.7 59.4 -60.1 -36.5 -3.1 42.1 26.0 113 120 A S H 3<5S+ 0 0 72 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.752 107.9 48.1 -64.7 -21.5 -3.5 45.9 26.1 114 121 A H T <<5S- 0 0 102 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.250 120.5-111.8 -99.3 9.6 -6.6 45.3 23.9 115 122 A R T < 5S+ 0 0 213 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.758 73.2 139.1 66.3 25.7 -7.8 42.6 26.2 116 123 A V < - 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0 0 35 -3,-1.7 -5,-0.0 -61,-0.4 -61,-0.0 -0.590 43.3-166.4 -75.8 140.1 -7.4 20.5 42.4 219 237 A K > - 0 0 103 -2,-0.2 3,-2.2 1,-0.1 -5,-0.1 -0.996 26.2-144.0-130.3 130.8 -7.2 17.3 44.5 220 238 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.711 102.1 69.1 -60.9 -18.5 -5.6 17.1 48.0 221 239 A S T 3 + 0 0 104 2,-0.0 3,-0.1 -3,-0.0 -3,-0.0 0.453 68.9 122.2 -81.8 -2.5 -4.4 13.7 46.8 222 240 A F S < S- 0 0 13 -3,-2.2 -19,-0.0 1,-0.1 -4,-0.0 -0.387 75.0-105.0 -55.8 138.1 -2.0 15.2 44.3 223 241 A P - 0 0 53 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.296 29.6-124.6 -65.3 150.1 1.6 14.0 45.0 224 242 A K + 0 0 176 -3,-0.1 2,-0.3 -22,-0.1 -25,-0.0 -0.838 34.6 178.4-103.7 98.5 3.8 16.5 46.8 225 243 A W - 0 0 77 -2,-0.8 -22,-2.3 1,-0.0 2,-0.2 -0.722 27.1-118.0 -97.5 149.8 7.0 17.0 44.8 226 244 A A - 0 0 88 -2,-0.3 -24,-0.5 -24,-0.2 2,-0.2 -0.509 34.1-102.8 -83.2 152.3 9.8 19.5 45.7 227 245 A R - 0 0 116 -26,-0.3 -26,-0.2 -2,-0.2 2,-0.2 -0.485 32.6-137.0 -73.6 146.6 10.8 22.4 43.4 228 246 A Q - 0 0 68 -28,-3.0 2,-0.3 -2,-0.2 -1,-0.0 -0.658 23.5-101.8 -98.5 159.6 14.0 22.0 41.2 229 247 A D >> - 0 0 123 -2,-0.2 3,-1.7 1,-0.1 4,-1.1 -0.583 20.9-132.4 -80.5 140.5 16.6 24.8 40.6 230 248 A F H 3> S+ 0 0 21 1,-0.3 4,-2.9 -2,-0.3 -1,-0.1 0.734 105.6 70.5 -61.6 -25.9 16.4 26.6 37.3 231 249 A S H 34 S+ 0 0 68 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.840 105.8 40.6 -60.5 -28.5 20.1 26.0 36.9 232 250 A K H <4 S+ 0 0 143 -3,-1.7 -2,-0.2 2,-0.1 -1,-0.2 0.754 115.7 53.3 -86.9 -27.7 19.2 22.4 36.4 233 251 A V H < S+ 0 0 25 -4,-1.1 -2,-0.2 1,-0.2 -3,-0.2 0.904 124.1 13.2 -77.8 -44.7 16.1 23.2 34.3 234 252 A V S >< S- 0 0 0 -4,-2.9 3,-2.7 3,-0.1 -1,-0.2 -0.135 86.6-163.0-132.8 47.8 17.6 25.5 31.6 235 253 A P T 3 + 0 0 71 0, 0.0 3,-0.1 0, 0.0 -4,-0.0 -0.398 69.6 23.7 -67.7 145.3 21.4 25.3 31.5 236 254 A P T 3 S+ 0 0 120 0, 0.0 -5,-0.1 0, 0.0 -4,-0.0 -0.726 85.8 123.1-108.8 45.5 23.3 27.1 30.4 237 255 A L < - 0 0 8 -3,-2.7 -3,-0.1 1,-0.1 -61,-0.0 -0.364 64.3-114.6 -59.3 136.3 21.0 30.1 30.4 238 256 A D > - 0 0 60 1,-0.1 4,-2.8 -3,-0.1 5,-0.2 -0.158 29.5 -96.9 -69.7 168.7 22.5 33.0 32.3 239 257 A E H > S+ 0 0 119 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.822 123.4 54.2 -58.4 -36.1 21.1 34.4 35.5 240 258 A D H > S+ 0 0 77 2,-0.2 4,-2.4 1,-0.2 27,-0.3 0.962 112.3 44.2 -61.2 -52.9 19.3 37.2 33.7 241 259 A G H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.936 114.8 48.9 -55.7 -48.9 17.5 34.7 31.4 242 260 A R H X S+ 0 0 61 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.899 109.9 51.7 -61.4 -39.7 16.8 32.3 34.3 243 261 A S H X S+ 0 0 31 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.950 112.7 45.4 -61.4 -47.3 15.3 35.1 36.5 244 262 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 3,-0.3 0.935 113.2 50.3 -60.9 -48.0 13.0 36.2 33.6 245 263 A L H X S+ 0 0 0 -4,-2.9 4,-1.2 1,-0.2 3,-0.3 0.922 107.1 53.7 -54.9 -49.1 12.0 32.6 33.0 246 264 A S H < S+ 0 0 30 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.829 110.1 49.0 -57.1 -33.7 11.2 32.0 36.7 247 265 A Q H >< S+ 0 0 54 -4,-1.6 10,-2.0 -3,-0.3 3,-0.8 0.801 108.4 51.0 -77.5 -30.5 8.9 35.0 36.6 248 266 A M H 3< S+ 0 0 0 -4,-1.7 -76,-0.3 -3,-0.3 -1,-0.2 0.655 112.3 50.5 -77.8 -17.7 7.1 33.9 33.5 249 267 A L T 3< S+ 0 0 2 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.163 75.2 139.4-107.9 17.9 6.5 30.6 35.2 250 268 A H < - 0 0 69 -3,-0.8 6,-0.2 1,-0.1 -3,-0.1 -0.353 51.7-138.6 -59.7 137.1 5.1 31.8 38.5 251 269 A Y S S+ 0 0 12 -50,-0.1 -97,-0.2 -43,-0.1 -1,-0.1 0.948 86.9 74.6 -62.5 -51.6 2.2 29.5 39.6 252 270 A D S >> S- 0 0 25 -44,-0.5 4,-1.6 1,-0.2 3,-1.4 -0.546 75.5-149.6 -67.8 116.5 0.0 32.4 40.8 253 271 A P T 34 S+ 0 0 32 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.773 98.1 56.6 -58.3 -27.7 -1.3 34.1 37.6 254 272 A N T 34 S+ 0 0 154 1,-0.2 -2,-0.1 -89,-0.0 -3,-0.0 0.734 110.1 43.1 -75.2 -26.1 -1.4 37.3 39.6 255 273 A K T <4 S+ 0 0 103 -3,-1.4 -1,-0.2 2,-0.1 -5,-0.1 0.644 88.6 109.1 -90.8 -22.9 2.3 37.1 40.4 256 274 A R S < S- 0 0 13 -4,-1.6 -8,-0.2 -6,-0.2 -9,-0.1 -0.326 82.1-102.5 -57.5 135.8 3.3 36.0 36.9 257 275 A I - 0 0 18 -10,-2.0 2,-0.1 -13,-0.2 -1,-0.1 -0.285 34.3-125.6 -60.1 144.4 5.2 38.8 35.1 258 276 A S > - 0 0 62 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.482 21.4-112.1 -84.4 165.3 3.2 40.7 32.5 259 277 A A H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 -150,-0.1 0.960 118.9 52.4 -60.1 -49.0 4.4 41.1 28.8 260 278 A K H > S+ 0 0 162 1,-0.2 4,-0.7 2,-0.2 3,-0.2 0.913 112.6 42.4 -51.9 -54.0 4.9 44.9 29.5 261 279 A A H >4 S+ 0 0 49 1,-0.2 3,-1.1 2,-0.2 4,-0.4 0.888 109.3 59.1 -63.4 -37.3 7.1 44.3 32.6 262 280 A A H >< S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.3 6,-0.2 0.863 97.3 61.1 -60.0 -35.6 9.0 41.5 31.0 263 281 A L H 3< S+ 0 0 39 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.795 103.6 50.4 -62.6 -27.5 10.1 43.9 28.2 264 282 A A T << S+ 0 0 86 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.465 83.3 123.1 -88.8 -4.8 11.9 46.0 30.9 265 283 A H S X S- 0 0 17 -3,-1.5 3,-2.2 -4,-0.4 4,-0.2 -0.298 75.2-118.2 -61.2 142.1 13.7 43.0 32.4 266 284 A P G > S+ 0 0 78 0, 0.0 3,-2.2 0, 0.0 4,-0.4 0.736 107.3 78.3 -52.2 -26.7 17.5 43.3 32.4 267 285 A F G > S+ 0 0 1 -27,-0.3 3,-0.5 1,-0.3 -26,-0.1 0.854 94.1 49.6 -51.7 -33.5 17.7 40.2 30.1 268 286 A F G X S+ 0 0 10 -3,-2.2 3,-1.8 -6,-0.2 -1,-0.3 0.387 77.2 104.1 -91.3 7.1 16.8 42.5 27.3 269 287 A Q G < S+ 0 0 164 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.875 93.6 31.5 -54.5 -39.4 19.4 45.2 28.1 270 288 A D G < S+ 0 0 96 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.047 87.0 147.9-109.3 25.7 21.6 43.9 25.2 271 289 A V < + 0 0 39 -3,-1.8 2,-0.2 -173,-0.1 -175,-0.1 -0.289 17.0 169.5 -63.5 145.9 18.9 42.8 22.8 272 290 A T - 0 0 84 -177,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.788 37.2-109.3-141.0-176.4 19.6 43.0 19.0 273 291 A K - 0 0 117 -2,-0.2 -177,-0.1 -174,-0.0 -140,-0.1 -0.739 36.7-176.1-127.7 84.6 17.9 41.8 15.9 274 292 A P - 0 0 36 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.305 27.2-117.9 -73.9 163.4 20.0 39.1 14.1 275 293 A V - 0 0 108 -2,-0.0 2,-0.1 -143,-0.0 -144,-0.1 -0.868 28.0-138.9 -99.1 131.0 19.0 37.5 10.8 276 294 A P - 0 0 13 0, 0.0 2,-0.7 0, 0.0 -144,-0.1 -0.453 18.3-114.5 -82.3 165.0 18.4 33.8 11.0 277 295 A H - 0 0 178 -2,-0.1 2,-0.5 2,-0.0 -147,-0.0 -0.911 40.7-173.5-101.4 112.0 19.6 31.5 8.3 278 296 A L - 0 0 26 -2,-0.7 2,-0.8 -148,-0.1 -148,-0.0 -0.936 21.2-156.4-112.8 132.7 16.5 30.1 6.6 279 297 A R 0 0 231 -2,-0.5 -2,-0.0 0, 0.0 0, 0.0 -0.896 360.0 360.0-104.8 100.0 16.4 27.4 4.0 280 298 A L 0 0 140 -2,-0.8 -202,-0.1 -202,-0.0 -2,-0.0 -0.678 360.0 360.0 -95.5 360.0 13.1 28.0 2.1