==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-OCT-08 2W17 . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.D.JONES,D.M.ANDREWS,A.J.BARKER,K.BLADES,P.DAUNT,S.EAST,C.G . 278 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14225.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 61.5 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 . 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 . 18 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 26.6 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 40 0, 0.0 3,-1.6 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 -16.6 -13.2 31.7 -2.8 2 2 A E T 3 + 0 0 150 1,-0.3 22,-0.0 3,-0.0 0, 0.0 0.705 360.0 66.3 -65.5 -19.3 -13.3 31.6 -6.7 3 3 A N T 3 S+ 0 0 55 20,-0.1 21,-3.0 21,-0.1 22,-0.5 0.407 92.6 79.7 -80.7 2.3 -10.7 34.4 -6.7 4 4 A F E < -A 23 0A 22 -3,-1.6 2,-0.6 19,-0.3 19,-0.2 -0.926 61.4-154.9-123.7 137.4 -8.1 32.1 -5.2 5 5 A Q E -A 22 0A 98 17,-3.0 17,-2.5 -2,-0.4 2,-0.2 -0.926 24.7-129.4-110.5 112.2 -5.8 29.3 -6.6 6 6 A K E +A 21 0A 119 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.427 28.0 176.3 -62.5 121.6 -4.7 26.7 -4.1 7 7 A V E - 0 0 42 13,-2.6 2,-0.3 1,-0.3 14,-0.2 0.874 61.3 -31.5 -88.7 -50.7 -0.9 26.2 -4.3 8 8 A E E -A 20 0A 100 12,-1.7 12,-3.1 0, 0.0 2,-0.4 -0.962 56.6-102.1-169.6 149.8 -0.4 23.7 -1.5 9 9 A K E +A 19 0A 134 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.687 35.9 170.9 -79.1 130.0 -1.7 22.5 1.9 10 10 A I E + 0 0 73 8,-2.5 2,-0.3 -2,-0.4 9,-0.2 0.374 60.6 4.5-121.7 -2.1 0.6 23.8 4.7 11 11 A G E A 18 0A 30 7,-1.2 7,-2.6 0, 0.0 -1,-0.4 -0.918 360.0 360.0-177.5 150.9 -1.4 22.9 7.8 12 12 A E 0 0 99 -2,-0.3 5,-0.3 5,-0.2 4,-0.1 -0.835 360.0 360.0-133.5 360.0 -4.5 21.1 9.1 13 ! 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 14 14 A T 0 0 139 0, 0.0 2,-0.7 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -69.8 -8.0 21.5 15.4 15 15 A Y - 0 0 59 1,-0.1 21,-0.1 21,-0.0 2,-0.0 -0.782 360.0 -11.1-107.9 87.6 -10.5 24.0 13.8 16 16 A G - 0 0 19 -2,-0.7 2,-0.3 19,-0.2 19,-0.2 0.060 65.1 -98.5 112.5 150.5 -9.8 24.5 10.0 17 17 A V E - B 0 34A 40 17,-1.4 17,-3.1 -5,-0.3 2,-0.4 -0.756 28.1-144.7 -99.5 147.5 -7.3 23.7 7.2 18 18 A V E -AB 11 33A 33 -7,-2.6 -8,-2.5 -2,-0.3 -7,-1.2 -0.947 16.5-176.7-118.2 127.0 -4.6 26.2 5.8 19 19 A Y E -AB 9 32A 48 13,-2.4 13,-3.5 -2,-0.4 2,-0.4 -0.938 29.6-127.0-119.8 139.6 -3.5 26.4 2.2 20 20 A K E +AB 8 31A 37 -12,-3.1 -13,-2.6 -2,-0.4 -12,-1.7 -0.739 47.9 173.0 -71.5 136.9 -0.9 28.5 0.5 21 21 A A E -AB 6 30A 0 9,-2.6 9,-3.2 -2,-0.4 2,-0.5 -0.984 31.1-132.8-151.1 151.8 -3.0 30.2 -2.3 22 22 A R E -AB 5 29A 106 -17,-2.5 -17,-3.0 -2,-0.3 2,-0.6 -0.942 26.2-121.1-112.2 128.8 -2.6 32.8 -5.0 23 23 A N E > -A 4 0A 20 5,-3.4 4,-2.0 -2,-0.5 -19,-0.3 -0.600 23.5-144.6 -64.0 111.2 -5.2 35.5 -5.6 24 24 A K T 4 S+ 0 0 134 -21,-3.0 -1,-0.2 -2,-0.6 -20,-0.1 0.722 93.8 38.6 -53.3 -30.7 -6.1 34.8 -9.3 25 25 A L T 4 S+ 0 0 128 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.952 125.9 29.5 -82.5 -62.8 -6.6 38.5 -10.1 26 26 A T T 4 S- 0 0 86 1,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.351 92.5-127.3 -91.3 3.7 -3.8 40.2 -8.1 27 27 A G < + 0 0 55 -4,-2.0 2,-0.1 1,-0.2 -3,-0.1 0.489 55.7 156.1 61.0 3.8 -1.1 37.5 -8.2 28 28 A E - 0 0 82 -5,-0.3 -5,-3.4 -6,-0.1 2,-0.5 -0.398 38.3-139.9 -62.9 126.9 -1.0 38.0 -4.4 29 29 A V E +B 22 0A 56 -7,-0.2 49,-0.6 -2,-0.1 2,-0.3 -0.829 35.1 162.7 -92.9 132.5 0.3 34.9 -2.4 30 30 A V E -BC 21 77A 1 -9,-3.2 -9,-2.6 -2,-0.5 2,-0.5 -0.870 44.8-110.5-143.9 162.8 -1.6 34.3 0.8 31 31 A A E -BC 20 76A 12 45,-2.3 45,-3.2 -2,-0.3 2,-0.6 -0.932 35.8-158.5 -98.0 129.2 -2.4 31.7 3.5 32 32 A L E -BC 19 75A 8 -13,-3.5 -13,-2.4 -2,-0.5 2,-0.5 -0.946 2.9-160.9-120.3 109.9 -6.1 30.7 3.1 33 33 A K E -BC 18 74A 19 41,-3.1 41,-2.0 -2,-0.6 2,-0.7 -0.832 5.9-157.8 -98.1 122.8 -7.7 29.2 6.1 34 34 A K E -BC 17 73A 37 -17,-3.1 -17,-1.4 -2,-0.5 39,-0.2 -0.889 29.6-135.6 -97.1 110.7 -10.9 27.2 5.6 35 35 A I - 0 0 36 37,-2.9 2,-0.7 -2,-0.7 37,-0.5 -0.459 29.5 -74.3 -90.9 150.5 -12.6 27.4 9.0 36 36 A R - 0 0 58 -2,-0.2 -1,-0.2 35,-0.1 -21,-0.0 -0.021 60.4-146.9 -41.7 77.3 -14.4 24.6 11.1 37 37 A L 0 0 126 -2,-0.7 -1,-0.1 1,-0.1 -21,-0.0 0.452 360.0 360.0 -30.1 168.9 -17.7 24.1 9.2 38 38 A D 0 0 150 2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.473 360.0 360.0 176.7 360.0 -21.2 23.2 10.5 39 ! 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 40 44 A V 0 0 74 0, 0.0 2,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 137.4 -21.7 30.6 10.6 41 45 A P >> - 0 0 85 0, 0.0 4,-1.1 0, 0.0 3,-0.6 -0.459 360.0-129.7 -59.1 132.6 -22.7 31.6 14.2 42 46 A S H 3> S+ 0 0 75 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.799 105.7 55.2 -55.7 -34.7 -23.4 35.4 14.2 43 47 A T H 3> S+ 0 0 95 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.872 102.7 55.6 -67.5 -39.0 -21.1 36.0 17.3 44 48 A A H <> S+ 0 0 32 -3,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.788 104.9 54.2 -64.8 -29.6 -18.1 34.3 15.6 45 49 A I H X S+ 0 0 37 -4,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.890 111.3 43.0 -70.2 -42.8 -18.4 36.8 12.7 46 50 A R H X S+ 0 0 155 -4,-1.4 4,-0.9 2,-0.2 -2,-0.2 0.769 111.8 56.5 -74.2 -27.1 -18.3 39.8 15.0 47 51 A E H X S+ 0 0 87 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.846 111.0 42.5 -70.6 -36.8 -15.4 38.1 16.9 48 52 A I H X S+ 0 0 15 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.826 108.3 59.2 -78.2 -32.3 -13.4 37.8 13.6 49 53 A S H < S+ 0 0 67 -4,-1.9 4,-0.3 1,-0.2 -2,-0.2 0.762 104.6 52.0 -65.0 -25.4 -14.3 41.3 12.6 50 54 A L H >< S+ 0 0 122 -4,-0.9 3,-0.7 1,-0.2 4,-0.3 0.827 105.4 55.4 -73.7 -36.0 -12.7 42.5 15.9 51 55 A L H >< S+ 0 0 24 -4,-0.9 3,-0.8 1,-0.2 11,-0.3 0.766 97.5 63.1 -66.4 -27.9 -9.5 40.5 14.9 52 56 A K T 3< S+ 0 0 76 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.712 102.4 50.1 -72.3 -23.1 -9.2 42.3 11.6 53 57 A E T < S+ 0 0 96 -3,-0.7 2,-1.5 -4,-0.3 -1,-0.2 0.524 87.1 92.1 -87.9 -8.8 -8.7 45.6 13.5 54 58 A L < + 0 0 13 -3,-0.8 2,-0.5 -4,-0.3 8,-0.2 -0.591 60.1 169.2 -92.5 78.4 -6.0 44.1 15.7 55 59 A N + 0 0 74 -2,-1.5 5,-0.1 6,-0.1 6,-0.1 -0.821 6.4 145.0-105.7 128.0 -3.0 45.0 13.6 56 60 A H > - 0 0 45 -2,-0.5 3,-1.9 3,-0.4 54,-0.1 -0.981 54.9-116.8-155.2 147.4 0.6 44.7 14.7 57 61 A P T 3 S+ 0 0 84 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.680 117.6 49.7 -61.5 -19.0 4.0 43.8 13.0 58 62 A N T 3 S+ 0 0 8 80,-0.1 81,-3.1 48,-0.1 2,-0.4 0.183 99.3 76.8-107.8 16.5 4.3 40.7 15.3 59 63 A I B < S-e 139 0B 11 -3,-1.9 -3,-0.4 79,-0.3 81,-0.2 -0.997 92.8-111.6-120.9 129.5 0.7 39.5 14.5 60 64 A V - 0 0 7 79,-2.9 2,-0.4 -2,-0.4 -2,-0.1 -0.381 43.6-110.5 -58.8 127.9 0.1 37.8 11.1 61 65 A K - 0 0 91 -4,-0.1 16,-2.6 -2,-0.1 2,-0.9 -0.506 17.3-144.9 -72.3 119.6 -2.1 40.2 9.2 62 66 A L E -D 76 0A 7 -2,-0.4 14,-0.2 -11,-0.3 3,-0.1 -0.765 22.1-179.3 -75.7 106.4 -5.7 39.1 8.6 63 67 A L E - 0 0 40 12,-2.4 2,-0.3 -2,-0.9 13,-0.2 0.901 58.1 -6.0 -77.4 -44.5 -6.1 40.6 5.1 64 68 A D E -D 75 0A 78 11,-1.7 11,-2.5 -3,-0.1 2,-0.4 -0.980 48.0-145.8-152.6 157.4 -9.7 39.5 4.5 65 69 A V E -D 74 0A 38 -2,-0.3 2,-0.9 9,-0.2 9,-0.2 -0.991 17.5-160.6-128.0 116.7 -12.7 37.5 5.9 66 70 A I E -D 73 0A 32 7,-2.0 7,-1.7 -2,-0.4 2,-1.3 -0.814 3.4-168.6-105.7 91.7 -14.8 35.9 3.2 67 71 A H E +D 72 0A 81 -2,-0.9 5,-0.2 5,-0.2 2,-0.2 -0.712 25.7 155.1 -82.2 95.2 -18.2 35.1 4.7 68 72 A T 0 0 57 -2,-1.3 -2,-0.1 3,-1.1 5,-0.0 -0.647 360.0 360.0-165.7 106.3 -19.6 32.9 1.9 69 73 A E 0 0 175 -2,-0.2 3,-0.1 3,-0.1 -1,-0.1 0.098 360.0 360.0-131.4 360.0 -21.7 30.9 2.7 70 ! 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 71 75 A K 0 0 58 0, 0.0 -3,-1.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 78.8 -17.8 27.9 4.6 72 76 A L E - D 0 67A 11 -37,-0.5 -37,-2.9 -5,-0.2 2,-0.3 -0.999 360.0-164.9-121.6 128.2 -15.9 30.8 6.2 73 77 A Y E -CD 34 66A 46 -7,-1.7 -7,-2.0 -2,-0.4 2,-0.4 -0.874 9.7-160.5-113.6 149.4 -12.5 31.7 4.9 74 78 A L E -CD 33 65A 7 -41,-2.0 -41,-3.1 -2,-0.3 2,-0.6 -0.999 9.0-155.0-125.0 126.0 -9.7 33.8 6.4 75 79 A V E -CD 32 64A 2 -11,-2.5 -12,-2.4 -2,-0.4 -11,-1.7 -0.904 19.8-176.5-104.8 118.4 -7.0 35.2 4.1 76 80 A F E -CD 31 62A 29 -45,-3.2 -45,-2.3 -2,-0.6 -14,-0.2 -0.799 37.2 -91.3-112.0 151.1 -3.8 36.0 5.8 77 81 A E E -C 30 0A 53 -16,-2.6 2,-0.4 -2,-0.3 -47,-0.2 -0.339 54.2-117.9 -37.0 131.3 -0.5 37.5 4.9 78 82 A F - 0 0 33 -49,-0.6 2,-0.3 -48,-0.1 -1,-0.1 -0.770 30.4-172.3 -87.1 132.6 1.7 34.5 3.9 79 83 A L - 0 0 14 -2,-0.4 53,-0.1 53,-0.1 52,-0.0 -0.971 21.7-135.1-120.9 147.5 4.9 33.6 5.9 80 84 A H S S+ 0 0 97 -2,-0.3 2,-0.3 51,-0.3 52,-0.1 0.588 74.0 18.1 -86.9 -11.5 7.3 30.9 4.7 81 85 A Q E -F 131 0B 12 50,-1.0 50,-2.6 199,-0.0 2,-0.2 -0.996 62.0-129.1-157.0 147.8 8.1 28.9 7.8 82 86 A D E > -F 130 0B 45 -2,-0.3 4,-1.3 48,-0.2 48,-0.2 -0.550 33.0-114.0 -91.6 165.3 6.9 28.1 11.3 83 87 A L H > S+ 0 0 0 46,-2.3 4,-2.9 43,-1.1 44,-0.2 0.819 113.0 62.0 -67.9 -32.7 9.2 28.2 14.4 84 88 A K H > S+ 0 0 57 42,-1.3 4,-2.7 45,-0.3 5,-0.2 0.945 104.4 44.8 -59.0 -54.0 9.0 24.5 14.8 85 89 A K H > S+ 0 0 114 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.870 115.1 49.6 -57.7 -38.3 10.6 23.6 11.4 86 90 A F H X S+ 0 0 11 -4,-1.3 4,-0.8 2,-0.2 -2,-0.2 0.909 110.6 50.0 -68.2 -42.4 13.3 26.2 12.1 87 91 A M H < S+ 0 0 20 -4,-2.9 3,-0.4 2,-0.2 4,-0.3 0.893 112.9 46.2 -59.9 -45.0 13.9 24.8 15.6 88 92 A D H >< S+ 0 0 87 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.907 112.7 50.1 -67.6 -39.0 14.2 21.2 14.1 89 93 A A H 3< S+ 0 0 49 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.652 116.2 43.3 -69.1 -15.5 16.5 22.6 11.4 90 94 A S T >X S+ 0 0 20 -4,-0.8 4,-2.8 -3,-0.4 3,-0.6 0.349 80.4 107.0-107.9 4.2 18.6 24.3 14.0 91 95 A A T <4 + 0 0 50 -3,-1.0 -1,-0.1 -4,-0.3 -2,-0.1 0.441 68.2 68.1 -68.1 1.5 18.7 21.4 16.5 92 96 A L T 34 S- 0 0 133 -3,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 0.904 126.6 -0.3 -99.6 -50.9 22.3 20.6 15.8 93 97 A T T <4 S- 0 0 125 -3,-0.6 -2,-0.2 1,-0.1 -3,-0.1 0.410 109.0-122.4-112.0 -6.1 24.1 23.7 17.2 94 98 A G < - 0 0 12 -4,-2.8 -3,-0.1 -7,-0.1 87,-0.1 0.125 38.2 -57.1 85.0 157.4 20.8 25.4 18.4 95 99 A I - 0 0 13 85,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.534 68.5-103.7 -68.3 132.7 19.4 28.8 17.5 96 100 A P >> - 0 0 81 0, 0.0 4,-1.6 0, 0.0 3,-0.8 -0.287 27.3-119.6 -63.5 148.6 22.0 31.5 18.4 97 101 A L H 3> S+ 0 0 65 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.834 110.4 58.7 -61.5 -38.7 21.1 33.3 21.6 98 102 A P H 3> S+ 0 0 68 0, 0.0 4,-2.0 0, 0.0 176,-0.4 0.873 109.2 45.8 -55.3 -35.7 20.9 36.8 20.0 99 103 A L H <> S+ 0 0 6 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.805 111.1 52.1 -79.9 -31.3 18.1 35.4 17.7 100 104 A I H X S+ 0 0 3 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.938 110.6 48.4 -63.3 -50.0 16.4 33.7 20.6 101 105 A K H X S+ 0 0 12 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.911 112.8 48.8 -57.3 -44.7 16.4 37.1 22.5 102 106 A S H X S+ 0 0 4 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.932 112.2 46.5 -59.9 -52.3 15.1 38.9 19.4 103 107 A Y H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.898 113.9 49.5 -59.0 -43.0 12.3 36.4 18.8 104 108 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.899 112.5 47.2 -60.5 -46.4 11.3 36.5 22.5 105 109 A F H X S+ 0 0 48 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.912 113.1 48.8 -62.4 -46.1 11.3 40.4 22.6 106 110 A Q H X S+ 0 0 13 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.918 112.4 47.0 -62.6 -45.8 9.2 40.6 19.4 107 111 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.886 109.8 53.2 -67.6 -39.8 6.6 38.1 20.6 108 112 A L H X S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 -1,-0.2 0.846 108.4 52.2 -56.0 -37.1 6.4 39.9 24.0 109 113 A Q H X S+ 0 0 74 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.926 110.8 46.6 -65.9 -44.2 5.7 43.1 21.9 110 114 A G H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.900 116.1 45.1 -59.5 -45.4 2.9 41.3 20.0 111 115 A L H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.943 108.2 56.1 -66.3 -46.8 1.5 39.9 23.3 112 116 A A H X S+ 0 0 7 -4,-3.3 4,-1.5 1,-0.2 -2,-0.2 0.930 113.5 43.6 -47.1 -48.5 1.9 43.3 25.0 113 117 A F H X S+ 0 0 49 -4,-2.2 4,-1.1 2,-0.2 3,-0.3 0.947 114.3 47.2 -62.9 -55.7 -0.3 44.7 22.1 114 118 A C H ><>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 3,-0.5 0.907 115.0 47.3 -48.3 -50.5 -2.9 41.8 22.1 115 119 A H H ><5S+ 0 0 28 -4,-3.1 3,-1.7 1,-0.2 -1,-0.2 0.743 101.2 62.6 -70.5 -31.2 -3.2 42.0 25.9 116 120 A S H 3<5S+ 0 0 84 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.792 108.3 46.1 -65.9 -28.0 -3.6 45.8 26.1 117 121 A H T <<5S- 0 0 97 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.059 122.0-110.2 -97.8 20.7 -6.8 45.3 24.0 118 122 A R T < 5S+ 0 0 213 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.792 73.7 138.0 56.6 31.4 -7.9 42.4 26.2 119 123 A V < - 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0 0 6 -4,-1.7 24,-0.2 24,-0.4 -1,-0.2 0.189 45.4 -63.9 87.9 149.8 7.4 21.7 42.7 205 221 A T - 0 0 22 22,-2.1 24,-0.1 -4,-0.1 2,-0.1 -0.546 60.9-117.9 -67.4 126.7 3.8 20.9 43.5 206 222 A P + 0 0 1 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.388 39.3 173.2 -68.4 143.5 2.0 24.2 44.0 207 223 A D > - 0 0 71 -2,-0.1 4,-1.9 7,-0.0 7,-0.2 -0.668 52.3 -82.5-130.9-173.8 0.5 24.9 47.5 208 224 A E T 4 S+ 0 0 82 -2,-0.2 0, 0.0 2,-0.2 0, 0.0 0.561 121.3 66.0 -69.9 -12.1 -1.2 27.9 49.1 209 225 A V T 4 S+ 0 0 114 2,-0.2 -1,-0.2 1,-0.1 0, 0.0 0.968 117.0 21.1 -72.1 -58.6 2.3 29.4 49.9 210 226 A V T 4 S+ 0 0 64 1,-0.2 44,-0.4 -3,-0.0 -2,-0.2 0.718 139.0 31.0 -83.9 -22.6 3.4 30.0 46.3 211 227 A W S >< S- 0 0 10 -4,-1.9 3,-1.7 42,-0.1 4,-0.3 -0.707 74.1-155.7-144.0 85.3 -0.2 30.0 44.8 212 228 A P T 3 S+ 0 0 71 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.407 84.4 23.7 -63.1 132.4 -3.1 31.3 47.0 213 229 A G T > S+ 0 0 32 -2,-0.1 3,-0.9 41,-0.0 -5,-0.1 0.316 88.7 115.3 93.9 -5.1 -6.4 29.9 45.9 214 230 A V G X + 0 0 0 -3,-1.7 3,-2.5 1,-0.2 6,-0.2 0.948 68.0 56.6 -65.2 -49.3 -4.8 26.8 44.2 215 231 A T G 3 S+ 0 0 65 1,-0.3 -1,-0.2 -4,-0.3 -7,-0.0 0.565 106.6 53.3 -63.0 -11.1 -6.3 24.1 46.5 216 232 A S G < S+ 0 0 99 -3,-0.9 -1,-0.3 5,-0.1 -2,-0.2 0.109 80.2 116.7-110.6 21.0 -9.8 25.4 45.7 217 233 A M S X S- 0 0 28 -3,-2.5 3,-2.7 1,-0.1 -57,-0.1 -0.726 79.1-105.8 -88.2 142.8 -9.5 25.2 41.9 218 234 A P T 3 S+ 0 0 88 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.729 113.5 31.0 -36.8 -53.3 -11.9 22.8 40.1 219 235 A D T 3 S+ 0 0 72 -60,-2.7 2,-0.3 2,-0.1 -59,-0.2 0.165 88.8 119.9-102.4 17.5 -9.4 19.9 39.3 220 236 A Y < - 0 0 39 -3,-2.7 3,-0.1 -61,-0.4 -5,-0.0 -0.629 44.5-165.0 -76.5 139.9 -7.1 20.3 42.2 221 237 A K > - 0 0 105 -2,-0.3 3,-2.0 1,-0.1 -5,-0.1 -0.998 25.7-142.1-127.2 129.2 -6.9 17.2 44.4 222 238 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 0.808 103.1 65.8 -51.7 -27.4 -5.4 17.2 48.0 223 239 A S T 3 + 0 0 106 -3,-0.1 3,-0.1 2,-0.0 -3,-0.0 0.275 69.1 121.8 -84.5 7.0 -4.0 13.8 46.9 224 240 A F S < S- 0 0 15 -3,-2.0 -19,-0.0 1,-0.1 -4,-0.0 -0.502 77.1 -99.1 -60.3 140.8 -1.7 15.0 44.1 225 241 A P - 0 0 56 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.295 33.1-128.2 -57.0 147.8 1.9 13.9 44.9 226 242 A K - 0 0 188 -3,-0.1 2,-0.3 -22,-0.0 -25,-0.0 -0.888 31.2-175.5-102.3 101.4 3.9 16.7 46.5 227 243 A W - 0 0 78 -2,-0.8 -22,-2.1 -27,-0.0 2,-0.3 -0.704 23.9-120.2 -93.2 149.1 7.2 17.1 44.6 228 244 A A - 0 0 86 -2,-0.3 -24,-0.4 -24,-0.2 2,-0.1 -0.642 35.6-103.2 -83.6 144.2 10.0 19.4 45.6 229 245 A R - 0 0 122 -26,-0.3 -26,-0.2 -2,-0.3 2,-0.2 -0.424 34.1-136.5 -65.9 139.1 11.0 22.2 43.2 230 246 A Q - 0 0 79 -28,-2.5 2,-0.1 -29,-0.1 -1,-0.1 -0.568 29.0 -89.4 -87.1 161.0 14.2 21.6 41.2 231 247 A D > - 0 0 119 -2,-0.2 4,-1.0 1,-0.1 3,-0.2 -0.434 23.7-138.2 -61.7 142.0 16.9 24.2 40.5 232 248 A F H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 -1,-0.1 0.667 104.2 65.5 -75.0 -21.7 16.5 26.4 37.4 233 249 A S H 4 S+ 0 0 59 1,-0.2 -1,-0.2 2,-0.2 6,-0.1 0.844 104.7 46.5 -68.7 -30.9 20.2 26.0 36.7 234 250 A K H 4 S+ 0 0 149 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.863 113.5 49.9 -69.9 -37.8 19.4 22.3 36.1 235 251 A V H < S+ 0 0 24 -4,-1.0 -2,-0.2 1,-0.2 -3,-0.1 0.914 122.6 19.7 -74.5 -48.3 16.3 23.1 34.0 236 252 A V S >< S- 0 0 0 -4,-2.3 3,-3.2 3,-0.1 -1,-0.2 -0.275 80.6-176.9-124.9 51.7 17.7 25.6 31.3 237 253 A P T 3 + 0 0 74 0, 0.0 3,-0.1 0, 0.0 -4,-0.0 -0.721 69.7 34.3 -74.2 138.1 21.5 25.4 31.1 238 254 A P T 3 S+ 0 0 114 0, 0.0 2,-0.2 0, 0.0 -5,-0.1 -0.638 87.5 116.9-108.4 48.6 23.1 27.2 29.3 239 255 A L < - 0 0 7 -3,-3.2 -3,-0.1 -6,-0.1 -61,-0.0 -0.563 64.7-121.1 -73.1 138.3 20.8 30.1 29.9 240 256 A D > - 0 0 55 -2,-0.2 4,-3.0 -3,-0.1 5,-0.3 -0.158 30.4 -92.5 -75.5 174.0 22.5 33.0 31.6 241 257 A E H > S+ 0 0 130 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.877 125.8 46.4 -58.9 -44.4 21.4 34.6 34.9 242 258 A D H > S+ 0 0 74 2,-0.2 4,-2.9 1,-0.2 27,-0.3 0.906 113.7 49.7 -59.0 -49.0 19.2 37.3 33.3 243 259 A G H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.930 114.4 44.5 -55.7 -48.6 17.6 34.7 31.0 244 260 A R H X S+ 0 0 48 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.856 111.5 53.3 -67.2 -36.5 16.9 32.4 33.9 245 261 A S H X S+ 0 0 52 -4,-2.5 4,-1.5 -5,-0.3 -2,-0.2 0.967 112.7 44.5 -61.8 -50.6 15.6 35.2 36.1 246 262 A L H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 3,-0.5 0.943 112.1 51.6 -57.8 -53.1 13.2 36.2 33.3 247 263 A L H X S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.2 3,-0.3 0.895 105.9 55.0 -52.5 -45.0 12.1 32.7 32.6 248 264 A S H < S+ 0 0 28 -4,-2.3 3,-0.2 1,-0.2 -1,-0.2 0.884 109.1 48.6 -58.3 -36.0 11.4 32.0 36.4 249 265 A Q H >< S+ 0 0 67 -4,-1.5 10,-2.5 -3,-0.5 3,-0.5 0.774 109.2 51.3 -76.3 -27.6 9.0 35.1 36.4 250 266 A M H 3< S+ 0 0 0 -4,-1.6 -76,-0.2 -3,-0.3 -1,-0.2 0.642 112.8 48.7 -76.5 -17.8 7.2 33.9 33.2 251 267 A L T 3< S+ 0 0 2 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.138 75.5 137.2-110.8 17.7 6.7 30.5 34.9 252 268 A H < - 0 0 68 -3,-0.5 6,-0.2 1,-0.1 5,-0.1 -0.434 53.8-137.1 -58.8 136.1 5.4 31.7 38.3 253 269 A Y S S+ 0 0 14 -2,-0.1 -97,-0.2 -50,-0.1 -1,-0.1 0.888 86.4 76.2 -62.8 -44.1 2.5 29.4 39.3 254 270 A D S >> S- 0 0 14 -44,-0.4 3,-2.5 1,-0.2 4,-2.0 -0.622 75.2-148.4 -75.6 114.1 0.2 32.3 40.5 255 271 A P T 34 S+ 0 0 22 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.815 99.1 56.7 -55.6 -26.9 -1.2 33.9 37.3 256 272 A N T 34 S+ 0 0 144 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.576 110.0 42.7 -78.0 -13.4 -1.2 37.2 39.3 257 273 A K T <4 S+ 0 0 99 -3,-2.5 -1,-0.2 2,-0.1 3,-0.1 0.658 89.4 106.5-100.9 -25.0 2.6 36.9 40.2 258 274 A R S < S- 0 0 13 -4,-2.0 -8,-0.2 -6,-0.2 -9,-0.1 -0.283 84.1-101.6 -54.0 134.1 3.6 35.8 36.6 259 275 A I - 0 0 18 -10,-2.5 -1,-0.1 -13,-0.2 2,-0.1 -0.273 34.4-125.2 -62.6 143.6 5.3 38.7 34.8 260 276 A S > - 0 0 60 -3,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.363 22.7-110.1 -80.3 167.8 3.3 40.6 32.3 261 277 A A H > S+ 0 0 3 2,-0.2 4,-1.5 1,-0.2 -149,-0.2 0.911 119.4 50.2 -63.8 -41.8 4.4 41.1 28.6 262 278 A K H > S+ 0 0 142 2,-0.2 4,-0.6 1,-0.2 3,-0.2 0.927 112.0 44.2 -62.9 -51.0 5.0 44.8 29.3 263 279 A A H >4 S+ 0 0 50 1,-0.2 3,-1.5 2,-0.2 4,-0.3 0.912 109.7 57.8 -64.4 -38.9 7.1 44.3 32.5 264 280 A A H >< S+ 0 0 0 -4,-1.9 3,-1.7 1,-0.3 6,-0.2 0.854 96.9 62.3 -57.6 -38.6 9.1 41.5 30.8 265 281 A L H 3< S+ 0 0 29 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.715 102.9 50.5 -62.2 -23.3 10.1 43.9 28.0 266 282 A A T << S+ 0 0 88 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.438 83.2 121.3 -92.2 -4.0 11.9 46.0 30.6 267 283 A H S X S- 0 0 16 -3,-1.7 3,-2.0 -4,-0.3 4,-0.2 -0.293 76.5-116.9 -62.1 142.6 13.9 43.1 32.1 268 284 A P G > S+ 0 0 76 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.714 107.3 79.3 -55.2 -19.9 17.7 43.4 32.0 269 285 A F G 3 S+ 0 0 1 -27,-0.3 3,-0.4 1,-0.3 -26,-0.1 0.856 94.5 47.3 -55.3 -34.7 17.7 40.3 29.7 270 286 A F G X S+ 0 0 8 -3,-2.0 3,-2.2 -6,-0.2 -1,-0.3 0.427 80.0 103.7 -91.0 2.4 16.8 42.5 26.8 271 287 A Q T < S+ 0 0 164 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.904 91.9 34.5 -45.0 -51.7 19.4 45.2 27.6 272 288 A D T 3 S+ 0 0 93 -3,-0.4 -1,-0.3 -4,-0.4 2,-0.1 -0.079 89.5 152.5 -98.8 33.8 21.6 44.0 24.7 273 289 A V < + 0 0 45 -3,-2.2 2,-0.2 -172,-0.1 -3,-0.1 -0.394 13.3 166.5 -70.7 139.2 18.7 43.1 22.4 274 290 A T - 0 0 83 -176,-0.4 -2,-0.0 -2,-0.1 -1,-0.0 -0.750 38.5-112.4-135.7-178.8 19.3 43.2 18.6 275 291 A K - 0 0 127 -2,-0.2 -176,-0.1 -173,-0.0 -139,-0.1 -0.704 35.0-174.6-125.0 82.9 17.6 41.9 15.5 276 292 A P - 0 0 35 0, 0.0 -2,-0.0 0, 0.0 -142,-0.0 -0.285 23.9-124.3 -65.7 156.6 19.6 39.2 13.8 277 293 A V - 0 0 105 -142,-0.0 2,-0.1 3,-0.0 -143,-0.1 -0.887 27.3-131.2 -97.9 135.6 18.5 37.7 10.4 278 294 A P - 0 0 15 0, 0.0 2,-0.9 0, 0.0 -143,-0.1 -0.504 13.6-118.7 -81.9 156.8 18.1 33.9 10.5 279 295 A H + 0 0 133 -2,-0.1 2,-0.4 2,-0.0 -146,-0.0 -0.884 44.8 178.8 -90.5 103.5 19.6 31.6 7.9 280 296 A L - 0 0 27 -2,-0.9 2,-0.7 -147,-0.1 -194,-0.0 -0.926 23.7-154.0-111.1 134.5 16.4 30.0 6.5 281 297 A R 0 0 165 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.951 360.0 360.0-105.9 110.5 16.2 27.5 3.7 282 298 A L 0 0 136 -2,-0.7 -1,-0.2 -201,-0.0 0, 0.0 0.720 360.0 360.0-101.0 360.0 12.9 27.8 1.9