==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-JAN-06 2FVD . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.L.CROWTHER,C.M.LUKACS,R.U.KAMMLOTT . 284 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14584.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 63.0 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 . 40 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 . 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 . 20 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 24.3 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 1 2 0 1 0 0 1 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 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 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 26 0, 0.0 3,-2.9 0, 0.0 58,-0.0 0.000 360.0 360.0 360.0 25.7 -13.2 31.9 -2.9 2 2 A E T 3 + 0 0 154 1,-0.3 22,-0.0 3,-0.1 0, 0.0 0.748 360.0 59.4 -56.2 -21.2 -13.5 32.0 -6.7 3 3 A N T 3 S+ 0 0 54 20,-0.1 21,-2.6 21,-0.1 22,-0.6 0.278 95.7 80.8 -90.3 11.1 -10.9 34.7 -6.5 4 4 A F E < -A 23 0A 21 -3,-2.9 2,-0.6 19,-0.2 19,-0.2 -0.975 61.9-159.7-125.4 126.6 -8.5 32.3 -4.8 5 5 A Q E -A 22 0A 89 17,-3.2 17,-3.0 -2,-0.5 2,-0.1 -0.901 21.8-133.0-104.3 114.4 -6.3 29.7 -6.5 6 6 A K E -A 21 0A 73 -2,-0.6 15,-0.3 15,-0.3 3,-0.1 -0.433 23.8-179.5 -66.9 136.4 -5.1 27.0 -4.1 7 7 A V E - 0 0 65 13,-3.4 2,-0.3 1,-0.4 14,-0.2 0.829 61.1 -30.5-100.9 -52.2 -1.4 26.3 -4.5 8 8 A E E -A 20 0A 112 12,-1.5 12,-3.3 0, 0.0 -1,-0.4 -0.974 63.0 -96.5-164.6 157.0 -0.8 23.5 -2.0 9 9 A K E -A 19 0A 104 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.673 28.8-171.9 -82.0 132.3 -2.2 22.2 1.3 10 10 A I E - 0 0 88 8,-3.1 2,-0.3 -2,-0.4 9,-0.2 0.818 54.5 -61.4 -92.6 -37.7 -0.1 23.4 4.3 11 11 A G E -A 18 0A 27 7,-1.6 7,-3.1 2,-0.0 2,-0.4 -0.984 43.7 -97.1 173.4-177.4 -1.7 21.3 7.0 12 12 A E E -A 17 0A 50 -2,-0.3 5,-0.2 5,-0.2 136,-0.2 -0.995 24.6-167.7-132.2 134.9 -4.8 20.4 9.1 13 13 A G - 0 0 27 3,-3.9 131,-0.2 -2,-0.4 134,-0.1 -0.418 46.3 -88.3-105.4-174.2 -5.9 21.6 12.5 14 14 A T S S+ 0 0 67 1,-0.2 130,-2.5 -2,-0.2 133,-0.1 0.859 125.2 12.2 -65.8 -34.3 -8.6 20.2 14.7 15 15 A Y S S+ 0 0 109 128,-0.2 21,-0.5 1,-0.2 2,-0.3 0.332 126.0 48.6-125.0 5.3 -11.3 22.3 13.1 16 16 A G - 0 0 4 19,-0.2 -3,-3.9 128,-0.1 2,-0.4 -0.995 58.5-140.9-153.4 147.1 -9.6 23.7 10.0 17 17 A V E -AB 12 34A 19 17,-2.0 17,-3.1 -2,-0.3 2,-0.4 -0.847 24.5-146.6-102.5 138.6 -7.6 22.9 6.9 18 18 A V E -AB 11 33A 42 -7,-3.1 -8,-3.1 -2,-0.4 -7,-1.6 -0.907 17.2-179.0-111.8 132.2 -4.8 25.3 5.8 19 19 A Y E -AB 9 32A 53 13,-2.4 13,-3.3 -2,-0.4 2,-0.5 -0.929 29.5-129.6-128.0 152.0 -3.8 26.0 2.2 20 20 A K E +AB 8 31A 41 -12,-3.3 -13,-3.4 -2,-0.3 -12,-1.5 -0.856 47.2 170.1 -92.5 131.4 -1.2 28.2 0.5 21 21 A A E -AB 6 30A 0 9,-2.9 9,-3.0 -2,-0.5 2,-0.4 -0.926 32.9-123.4-142.2 168.1 -3.2 30.1 -2.1 22 22 A R E -AB 5 29A 94 -17,-3.0 -17,-3.2 -2,-0.3 2,-0.7 -0.950 18.8-134.0-118.7 132.4 -3.0 32.9 -4.6 23 23 A N E > -A 4 0A 14 5,-3.4 4,-3.8 -2,-0.4 3,-0.3 -0.752 12.1-160.1 -84.5 112.9 -5.4 35.9 -4.8 24 24 A K T 4 S+ 0 0 116 -21,-2.6 -1,-0.2 -2,-0.7 -20,-0.1 0.775 90.5 50.7 -64.0 -28.1 -6.3 36.3 -8.4 25 25 A L T 4 S+ 0 0 134 -22,-0.6 -1,-0.2 1,-0.1 -21,-0.1 0.780 128.6 18.6 -82.1 -28.2 -7.4 39.9 -7.8 26 26 A T T 4 S- 0 0 86 -3,-0.3 -2,-0.2 2,-0.2 3,-0.1 0.583 90.8-129.7-116.1 -16.9 -4.2 41.0 -6.1 27 27 A G < + 0 0 44 -4,-3.8 -3,-0.2 1,-0.3 -2,-0.0 0.405 59.2 151.3 78.9 -3.3 -1.7 38.3 -7.1 28 28 A E - 0 0 80 -5,-0.2 -5,-3.4 -6,-0.1 2,-0.5 -0.282 45.7-134.0 -62.8 140.3 -1.0 38.1 -3.4 29 29 A V E +B 22 0A 49 -7,-0.2 42,-0.9 -3,-0.1 2,-0.2 -0.879 38.8 165.3 -98.9 128.1 0.2 34.8 -2.0 30 30 A V E -BC 21 70A 0 -9,-3.0 -9,-2.9 -2,-0.5 2,-0.5 -0.796 39.8-113.1-136.7 176.3 -1.7 33.9 1.2 31 31 A A E -BC 20 69A 15 38,-2.5 38,-3.0 -2,-0.2 2,-0.5 -0.956 31.6-155.6-112.8 132.3 -2.6 31.2 3.7 32 32 A L E -BC 19 68A 0 -13,-3.3 -13,-2.4 -2,-0.5 2,-0.6 -0.935 6.7-158.5-114.7 131.8 -6.2 30.2 3.8 33 33 A K E -BC 18 67A 44 34,-2.4 34,-1.8 -2,-0.5 2,-0.6 -0.938 11.6-162.1-108.5 115.2 -7.9 28.6 6.8 34 34 A K E -BC 17 66A 45 -17,-3.1 -17,-2.0 -2,-0.6 2,-0.5 -0.878 8.6-176.6-101.6 120.9 -11.1 26.6 5.8 35 35 A I E - C 0 65A 8 30,-2.6 30,-2.7 -2,-0.6 2,-0.4 -0.967 18.4-139.7-119.5 128.0 -13.5 25.9 8.5 36 36 A R E C 0 64A 146 -21,-0.5 106,-2.5 -2,-0.5 28,-0.2 -0.693 360.0 360.0 -85.5 135.7 -16.7 23.8 8.0 37 37 A L 0 0 79 26,-2.6 -1,-0.1 -2,-0.4 27,-0.1 0.433 360.0 360.0-110.5 360.0 -19.8 25.0 9.7 38 ! 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 39 50 A R >> 0 0 110 0, 0.0 3,-1.5 0, 0.0 4,-1.1 0.000 360.0 360.0 360.0 -47.0 -18.1 38.1 15.4 40 51 A E H 3> + 0 0 94 1,-0.3 4,-0.7 2,-0.2 3,-0.2 0.786 360.0 59.5 -48.8 -27.8 -15.1 37.8 17.8 41 52 A I H >> S+ 0 0 19 1,-0.2 4,-0.9 2,-0.2 3,-0.9 0.883 94.9 60.1 -69.4 -39.9 -13.2 37.0 14.6 42 53 A S H <4 S+ 0 0 64 -3,-1.5 3,-0.4 1,-0.3 4,-0.2 0.821 100.7 56.4 -58.4 -31.5 -14.1 40.4 13.1 43 54 A L H >X S+ 0 0 106 -4,-1.1 3,-1.4 1,-0.2 4,-0.6 0.811 98.4 60.6 -70.6 -29.7 -12.3 42.1 16.0 44 55 A L H X< S+ 0 0 33 -3,-0.9 3,-0.7 -4,-0.7 11,-0.3 0.786 91.3 67.8 -67.4 -26.5 -9.1 40.2 15.1 45 56 A K T 3< S+ 0 0 66 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.670 104.0 45.2 -66.8 -15.1 -9.2 41.9 11.7 46 57 A E T <4 S+ 0 0 145 -3,-1.4 2,-2.3 -4,-0.2 -1,-0.3 0.560 86.1 94.4-101.7 -13.6 -8.4 45.1 13.7 47 58 A L << + 0 0 14 -3,-0.7 2,-0.5 -4,-0.6 -1,-0.1 -0.466 59.2 166.9 -79.8 70.5 -5.8 43.5 15.9 48 59 A N + 0 0 70 -2,-2.3 5,-0.1 6,-0.1 6,-0.1 -0.781 3.4 146.8 -96.3 126.8 -2.9 44.7 13.6 49 60 A H > - 0 0 41 -2,-0.5 3,-2.0 3,-0.4 54,-0.0 -0.989 56.5-114.2-154.9 146.9 0.7 44.5 14.8 50 61 A P T 3 S+ 0 0 95 0, 0.0 4,-0.1 0, 0.0 53,-0.0 0.749 118.9 46.1 -55.0 -24.2 4.1 43.9 13.2 51 62 A N T 3 S+ 0 0 10 48,-0.1 81,-2.7 80,-0.1 2,-0.4 -0.004 97.9 80.3-111.5 28.6 4.4 40.7 15.2 52 63 A I B < S-e 132 0B 8 -3,-2.0 -3,-0.4 79,-0.3 81,-0.2 -0.998 89.8-110.5-132.0 125.8 0.9 39.3 14.6 53 64 A V - 0 0 9 79,-2.6 2,-0.2 -2,-0.4 -2,-0.1 -0.380 44.1-113.0 -57.5 125.5 0.2 37.5 11.3 54 65 A K - 0 0 91 -2,-0.1 16,-2.4 -4,-0.1 2,-0.9 -0.451 16.1-142.4 -69.3 128.9 -2.1 39.8 9.5 55 66 A L E -D 69 0A 9 -11,-0.3 14,-0.3 -2,-0.2 3,-0.1 -0.838 21.7-177.4 -89.8 105.0 -5.7 38.6 9.0 56 67 A L E - 0 0 26 12,-2.4 2,-0.3 -2,-0.9 13,-0.2 0.892 58.5 -6.6 -73.0 -44.4 -6.3 40.0 5.5 57 68 A D E -D 68 0A 64 11,-1.5 11,-3.4 2,-0.0 2,-0.4 -0.996 48.7-149.4-155.4 156.1 -9.9 38.9 5.0 58 69 A V E -D 67 0A 43 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.982 21.1-172.8-129.3 115.8 -12.8 36.9 6.6 59 70 A I E -D 66 0A 46 7,-3.0 7,-3.2 -2,-0.4 2,-0.6 -0.946 9.5-171.4-120.7 123.3 -15.3 35.3 4.3 60 71 A H E +D 65 0A 131 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.934 25.2 146.7-111.2 112.1 -18.4 33.5 5.3 61 72 A T E > -D 64 0A 61 3,-2.4 3,-0.7 -2,-0.6 -2,-0.1 -0.975 60.4 -12.8-150.5 133.1 -20.2 31.7 2.5 62 73 A E T 3 S- 0 0 171 -2,-0.3 -1,-0.1 1,-0.2 -25,-0.1 0.918 124.3 -45.8 40.7 79.5 -22.3 28.5 2.2 63 74 A N T 3 S+ 0 0 103 1,-0.1 -26,-2.6 -27,-0.1 2,-0.4 0.721 119.6 108.5 40.2 30.4 -21.6 26.8 5.6 64 75 A K E < -CD 36 61A 63 -3,-0.7 -3,-2.4 -28,-0.2 2,-0.5 -0.999 53.3-159.9-135.6 136.1 -17.9 27.6 5.1 65 76 A L E -CD 35 60A 17 -30,-2.7 -30,-2.6 -2,-0.4 2,-0.4 -0.974 10.2-168.3-119.5 121.6 -15.8 30.1 6.9 66 77 A Y E -CD 34 59A 35 -7,-3.2 -7,-3.0 -2,-0.5 2,-0.5 -0.920 6.6-165.8-112.6 132.6 -12.5 31.3 5.3 67 78 A L E -CD 33 58A 10 -34,-1.8 -34,-2.4 -2,-0.4 2,-0.7 -0.978 10.5-154.0-116.6 122.8 -9.8 33.3 7.0 68 79 A V E -CD 32 57A 1 -11,-3.4 -12,-2.4 -2,-0.5 -11,-1.5 -0.877 18.1-178.0-102.8 114.9 -7.2 34.8 4.7 69 80 A F E -CD 31 55A 34 -38,-3.0 -38,-2.5 -2,-0.7 -14,-0.2 -0.781 35.2 -98.5-112.1 154.5 -3.8 35.4 6.4 70 81 A E E -C 30 0A 46 -16,-2.4 2,-0.3 -2,-0.3 -40,-0.2 -0.444 49.9-116.0 -64.7 143.1 -0.6 36.9 5.2 71 82 A F - 0 0 42 -42,-0.9 2,-0.4 -2,-0.1 -42,-0.1 -0.659 31.5-176.8 -89.5 136.8 1.8 34.1 4.2 72 83 A L - 0 0 16 -2,-0.3 53,-0.1 53,-0.1 3,-0.0 -0.978 24.2-135.5-127.7 144.3 5.1 33.4 5.9 73 84 A H S S+ 0 0 108 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.624 75.5 21.2 -78.0 -14.9 7.5 30.6 4.7 74 85 A Q E -F 124 0B 9 50,-1.0 50,-2.8 210,-0.0 2,-0.3 -0.995 59.8-138.5-153.9 155.3 8.5 28.9 7.9 75 86 A D E > -F 123 0B 47 -2,-0.3 4,-1.7 48,-0.2 48,-0.2 -0.734 33.9-109.3-111.4 164.4 7.5 28.3 11.5 76 87 A L H > S+ 0 0 0 46,-2.8 4,-2.7 43,-1.1 5,-0.2 0.831 114.6 61.7 -60.7 -33.5 9.7 28.3 14.6 77 88 A K H > S+ 0 0 72 42,-0.6 4,-2.1 45,-0.2 -1,-0.2 0.946 106.5 44.0 -58.2 -50.4 9.4 24.5 15.0 78 89 A K H > S+ 0 0 107 1,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.873 113.6 51.6 -62.9 -38.3 11.0 23.9 11.6 79 90 A F H X S+ 0 0 12 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.896 108.7 50.0 -67.2 -41.6 13.7 26.4 12.3 80 91 A M H < S+ 0 0 17 -4,-2.7 3,-0.5 1,-0.2 4,-0.2 0.921 110.0 50.9 -63.4 -42.6 14.6 24.9 15.7 81 92 A D H >< S+ 0 0 109 -4,-2.1 3,-0.9 1,-0.3 4,-0.4 0.876 109.9 49.5 -61.8 -38.2 14.9 21.5 14.2 82 93 A A H 3< S+ 0 0 27 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.699 117.9 42.1 -72.9 -17.6 17.2 22.9 11.5 83 94 A S T 3X S+ 0 0 15 -4,-1.0 4,-4.2 -3,-0.5 3,-0.3 0.260 84.4 102.4-109.8 8.4 19.2 24.5 14.3 84 95 A A T <4 S+ 0 0 46 -3,-0.9 -2,-0.1 1,-0.2 -1,-0.1 0.896 78.6 53.8 -59.2 -43.5 19.0 21.4 16.7 85 96 A L T 4 S+ 0 0 143 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.841 130.3 13.7 -61.0 -36.5 22.6 20.4 15.9 86 97 A T T 4 S- 0 0 97 -3,-0.3 -2,-0.2 -4,-0.1 -1,-0.2 0.702 103.6-125.0-112.4 -30.8 24.0 23.8 16.8 87 98 A G < - 0 0 10 -4,-4.2 -3,-0.1 -7,-0.2 98,-0.1 0.250 33.8 -73.0 92.1 141.1 21.3 25.7 18.6 88 99 A I - 0 0 13 96,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.500 60.9-104.5 -67.2 131.1 19.8 29.0 17.8 89 100 A P >> - 0 0 80 0, 0.0 4,-2.2 0, 0.0 3,-1.1 -0.321 26.6-119.5 -58.5 138.4 22.3 31.8 18.7 90 101 A L H 3> S+ 0 0 66 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.860 111.6 59.4 -46.8 -45.4 21.3 33.6 21.9 91 102 A P H 3> S+ 0 0 66 0, 0.0 4,-2.1 0, 0.0 187,-0.4 0.889 109.9 42.9 -53.6 -40.3 21.1 36.9 20.2 92 103 A L H <> S+ 0 0 8 -3,-1.1 4,-2.8 2,-0.2 5,-0.2 0.882 111.7 53.2 -73.6 -39.8 18.4 35.5 17.9 93 104 A I H X S+ 0 0 6 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.943 111.8 47.4 -58.3 -45.8 16.6 33.7 20.7 94 105 A K H X S+ 0 0 10 -4,-3.2 4,-2.7 -5,-0.2 -2,-0.2 0.910 111.0 50.8 -62.2 -44.0 16.5 37.1 22.6 95 106 A S H X S+ 0 0 4 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.927 112.2 46.4 -61.0 -46.0 15.3 38.9 19.5 96 107 A Y H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.911 113.2 49.2 -63.4 -43.0 12.4 36.4 18.9 97 108 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.929 112.0 48.8 -61.9 -45.2 11.5 36.5 22.6 98 109 A F H X S+ 0 0 46 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.933 111.2 49.3 -60.2 -48.7 11.4 40.3 22.7 99 110 A Q H X S+ 0 0 12 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.902 112.3 47.4 -59.4 -43.2 9.3 40.6 19.5 100 111 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.874 109.3 53.6 -68.4 -35.2 6.7 38.1 20.8 101 112 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.867 109.1 50.1 -65.8 -34.2 6.6 39.9 24.1 102 113 A Q H X S+ 0 0 71 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.931 110.3 49.5 -67.4 -44.6 5.9 43.0 22.2 103 114 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.906 115.0 43.8 -59.8 -43.0 3.1 41.2 20.3 104 115 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.892 108.0 56.7 -70.2 -40.5 1.6 39.9 23.5 105 116 A A H X S+ 0 0 19 -4,-2.7 4,-1.4 -5,-0.2 -1,-0.2 0.919 112.1 47.2 -56.5 -39.1 1.9 43.3 25.3 106 117 A F H X S+ 0 0 51 -4,-2.1 4,-0.9 2,-0.2 3,-0.2 0.974 115.3 39.4 -66.3 -59.1 -0.1 44.6 22.4 107 118 A C H ><>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 3,-0.7 0.891 115.6 53.2 -63.4 -36.7 -2.9 42.0 22.2 108 119 A H H ><5S+ 0 0 27 -4,-3.0 3,-1.7 1,-0.2 -1,-0.2 0.846 102.2 58.5 -66.5 -32.3 -3.1 41.8 26.0 109 120 A S H 3<5S+ 0 0 80 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.772 107.5 48.6 -67.2 -22.9 -3.5 45.5 26.3 110 121 A H T <<5S- 0 0 100 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.119 122.6-108.4-101.8 19.0 -6.6 45.1 24.1 111 122 A R T < 5S+ 0 0 226 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.779 75.4 136.0 61.0 32.1 -7.9 42.3 26.2 112 123 A V < - 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0 0 6 -4,-2.0 24,-0.2 -5,-0.4 -1,-0.2 0.157 43.9 -65.5 91.0 146.6 7.4 21.5 42.7 209 221 A T - 0 0 22 22,-2.6 24,-0.1 -4,-0.1 -8,-0.0 -0.557 63.4-119.1 -68.7 121.0 3.8 20.6 43.5 210 222 A P + 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.229 38.2 173.3 -62.7 148.7 2.0 23.9 44.1 211 223 A D > - 0 0 70 7,-0.0 4,-2.6 8,-0.0 3,-0.4 -0.829 51.4 -82.1-142.4 179.7 0.4 24.7 47.4 212 224 A E T 4 S+ 0 0 79 -2,-0.3 6,-0.0 1,-0.2 0, 0.0 0.743 121.0 65.3 -60.7 -24.3 -1.3 27.6 49.1 213 225 A V T 4 S+ 0 0 126 2,-0.2 -1,-0.2 1,-0.2 0, 0.0 0.952 117.6 20.8 -64.3 -51.3 2.1 29.0 50.0 214 226 A V T 4 S+ 0 0 78 -3,-0.4 44,-0.5 1,-0.2 -2,-0.2 0.721 138.5 31.0 -91.1 -22.5 3.2 29.7 46.4 215 227 A W S >< S- 0 0 12 -4,-2.6 3,-2.4 42,-0.1 4,-0.3 -0.671 77.6-150.6-139.6 82.3 -0.2 29.8 44.8 216 228 A P T 3 S+ 0 0 80 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.267 85.5 17.9 -53.9 130.4 -3.1 31.0 47.0 217 229 A G T > S+ 0 0 29 4,-0.0 3,-1.6 3,-0.0 4,-0.3 0.293 86.5 118.5 91.3 -9.4 -6.3 29.4 45.9 218 230 A V G X S+ 0 0 0 -3,-2.4 3,-1.5 1,-0.3 6,-0.1 0.882 70.5 57.8 -58.4 -38.5 -4.7 26.5 44.0 219 231 A T G 3 S+ 0 0 62 -4,-0.3 -1,-0.3 1,-0.3 -7,-0.0 0.582 104.3 53.2 -70.2 -8.5 -6.3 23.9 46.3 220 232 A S G < S+ 0 0 96 -3,-1.6 -1,-0.3 5,-0.1 -2,-0.2 0.368 81.6 121.4-105.5 2.6 -9.8 25.2 45.5 221 233 A M S X S- 0 0 26 -3,-1.5 3,-1.8 -4,-0.3 -57,-0.1 -0.359 77.0-105.0 -68.9 147.3 -9.4 24.9 41.8 222 234 A P T 3 S+ 0 0 76 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.795 115.0 25.9 -35.7 -55.0 -11.9 22.7 39.8 223 235 A D T 3 S+ 0 0 78 -60,-2.7 -59,-0.2 2,-0.1 2,-0.1 0.269 88.4 124.8-103.2 11.8 -9.5 19.8 39.0 224 236 A Y < - 0 0 41 -3,-1.8 3,-0.1 -61,-0.4 -5,-0.0 -0.471 42.8-161.7 -70.1 143.3 -7.1 20.2 42.0 225 237 A K > - 0 0 109 -2,-0.1 3,-2.4 1,-0.1 -5,-0.1 -0.991 23.5-145.9-131.4 125.3 -6.8 16.9 44.0 226 238 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.786 101.4 67.8 -57.6 -23.1 -5.4 16.7 47.5 227 239 A S T 3 + 0 0 104 -3,-0.1 3,-0.1 2,-0.0 -3,-0.0 0.436 69.1 126.1 -77.3 -0.1 -4.1 13.3 46.4 228 240 A F S < S- 0 0 16 -3,-2.4 -19,-0.0 1,-0.1 -4,-0.0 -0.332 72.9-104.9 -57.5 137.1 -1.6 14.9 44.0 229 241 A P - 0 0 58 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.345 32.8-121.0 -62.9 150.9 1.9 13.5 44.7 230 242 A K + 0 0 190 -3,-0.1 2,-0.4 -22,-0.1 -25,-0.0 -0.820 33.9 179.5-102.3 101.8 4.1 16.1 46.5 231 243 A W - 0 0 82 -2,-0.8 -22,-2.6 -21,-0.0 2,-0.3 -0.806 24.8-129.8 -98.9 139.4 7.2 16.8 44.6 232 244 A A - 0 0 87 -2,-0.4 -24,-0.3 -24,-0.2 2,-0.1 -0.691 35.8 -97.9 -87.7 140.9 9.8 19.3 45.9 233 245 A R - 0 0 116 -26,-0.3 -26,-0.2 -2,-0.3 -27,-0.1 -0.354 43.0-133.5 -58.8 131.1 10.9 22.1 43.5 234 246 A Q - 0 0 60 -28,-2.0 2,-0.1 -29,-0.2 5,-0.1 -0.421 36.9 -72.4 -85.7 163.6 14.2 21.1 41.9 235 247 A D > - 0 0 112 1,-0.2 3,-1.6 -2,-0.1 4,-0.3 -0.362 41.0-144.6 -55.6 122.1 17.2 23.4 41.5 236 248 A F G >> S+ 0 0 34 1,-0.3 3,-1.2 2,-0.2 4,-0.8 0.708 95.4 69.5 -64.5 -23.4 16.3 25.9 38.8 237 249 A S G 34 S+ 0 0 47 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.629 93.5 62.0 -69.3 -10.9 19.9 26.0 37.4 238 250 A K G <4 S+ 0 0 138 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.700 94.6 64.5 -84.4 -22.8 19.1 22.4 36.3 239 251 A V T <4 S+ 0 0 18 -3,-1.2 -2,-0.2 -4,-0.3 -1,-0.1 0.910 116.1 9.7 -72.8 -49.9 16.3 23.6 34.0 240 252 A V S >< S- 0 0 0 -4,-0.8 3,-2.6 3,-0.1 -1,-0.2 -0.121 85.8-162.2-129.2 43.6 17.9 25.7 31.3 241 253 A P T 3 + 0 0 69 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.377 69.2 23.5 -64.7 149.8 21.7 25.4 31.5 242 254 A P T 3 S+ 0 0 127 0, 0.0 -4,-0.0 0, 0.0 -5,-0.0 -0.773 87.9 122.7-100.2 36.8 23.8 27.1 30.3 243 255 A L < - 0 0 13 -3,-2.6 -3,-0.1 1,-0.1 5,-0.0 -0.268 65.2-112.4 -56.1 138.9 21.5 30.2 30.1 244 256 A D > - 0 0 61 1,-0.1 4,-2.6 -3,-0.1 3,-0.3 -0.197 29.0-100.1 -70.3 164.5 22.9 33.2 32.1 245 257 A E H > S+ 0 0 115 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.795 121.7 59.1 -57.7 -30.9 21.2 34.5 35.2 246 258 A D H > S+ 0 0 79 2,-0.2 4,-2.0 1,-0.2 27,-0.3 0.959 112.1 41.0 -62.9 -45.5 19.5 37.3 33.4 247 259 A G H > S+ 0 0 0 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.928 115.2 49.1 -66.3 -46.8 17.8 34.7 31.2 248 260 A R H X S+ 0 0 68 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.885 110.0 53.2 -60.2 -39.8 17.0 32.3 34.1 249 261 A S H X S+ 0 0 39 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.946 111.3 44.9 -60.7 -49.6 15.6 35.2 36.2 250 262 A L H X S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.936 113.1 51.0 -61.4 -46.6 13.2 36.2 33.4 251 263 A L H X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 3,-0.3 0.917 106.7 53.8 -58.3 -44.8 12.2 32.6 32.7 252 264 A S H < S+ 0 0 29 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.881 109.2 49.0 -58.8 -37.5 11.5 32.0 36.4 253 265 A Q H >< S+ 0 0 69 -4,-1.7 10,-2.1 1,-0.2 3,-0.6 0.795 109.5 51.7 -72.7 -27.3 9.2 35.0 36.4 254 266 A M H 3< S+ 0 0 0 -4,-1.7 -76,-0.2 -3,-0.3 -1,-0.2 0.707 112.0 48.5 -79.3 -19.0 7.4 33.8 33.3 255 267 A L T 3< S+ 0 0 1 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.195 74.9 137.5-106.7 16.3 6.9 30.4 35.0 256 268 A H < - 0 0 69 -3,-0.6 6,-0.2 1,-0.1 -3,-0.1 -0.387 52.6-138.2 -61.5 137.8 5.5 31.5 38.3 257 269 A Y S S+ 0 0 12 -50,-0.1 -97,-0.2 4,-0.1 -1,-0.1 0.941 86.1 77.2 -62.7 -49.5 2.6 29.3 39.4 258 270 A D S >> S- 0 0 17 -44,-0.5 3,-2.1 1,-0.2 4,-2.0 -0.517 73.7-150.3 -67.9 113.2 0.4 32.2 40.6 259 271 A P T 34 S+ 0 0 25 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.786 98.1 56.3 -53.3 -28.7 -1.1 33.9 37.5 260 272 A N T 34 S+ 0 0 147 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.670 111.4 41.5 -78.4 -18.3 -1.1 37.1 39.5 261 273 A K T <4 S+ 0 0 142 -3,-2.1 -1,-0.2 2,-0.1 3,-0.1 0.674 89.3 106.5 -99.2 -23.4 2.6 36.9 40.3 262 274 A R S < S- 0 0 13 -4,-2.0 -8,-0.2 -6,-0.2 -9,-0.1 -0.306 83.6-101.4 -58.1 135.7 3.6 35.7 36.8 263 275 A I - 0 0 17 -10,-2.1 2,-0.1 -13,-0.2 -1,-0.1 -0.268 32.8-126.3 -62.8 143.5 5.3 38.6 34.9 264 276 A S > - 0 0 62 1,-0.1 4,-2.3 -3,-0.1 5,-0.1 -0.485 21.6-113.7 -84.9 162.5 3.3 40.6 32.4 265 277 A A H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -160,-0.1 0.931 116.9 53.9 -60.2 -45.5 4.5 41.0 28.8 266 278 A K H > S+ 0 0 164 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.902 112.0 42.6 -55.8 -47.4 4.9 44.8 29.4 267 279 A A H >4 S+ 0 0 49 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.864 108.3 60.2 -70.1 -35.7 7.1 44.3 32.4 268 280 A A H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.3 6,-0.2 0.876 95.5 62.3 -60.0 -37.5 9.1 41.5 30.8 269 281 A L H 3< S+ 0 0 37 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.783 103.0 51.1 -59.2 -27.1 10.2 43.9 28.0 270 282 A A T << S+ 0 0 84 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.430 83.0 122.2 -90.5 0.1 11.9 46.0 30.7 271 283 A H S X S- 0 0 19 -3,-2.0 3,-2.3 -4,-0.3 4,-0.1 -0.337 75.8-116.7 -65.6 143.6 13.8 43.0 32.2 272 284 A P G > S+ 0 0 79 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.725 107.7 78.6 -51.7 -24.3 17.6 43.3 32.2 273 285 A F G 3 S+ 0 0 2 -27,-0.3 3,-0.5 1,-0.3 -26,-0.1 0.813 94.0 49.1 -56.4 -30.2 17.8 40.3 29.9 274 286 A F G X S+ 0 0 12 -3,-2.3 3,-1.6 -6,-0.2 -1,-0.3 0.254 75.3 107.2 -96.1 13.3 16.9 42.7 27.0 275 287 A Q T < S+ 0 0 157 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.839 94.1 30.4 -57.3 -34.0 19.5 45.3 27.9 276 288 A D T 3 S+ 0 0 84 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.013 86.9 150.6-115.5 27.2 21.5 44.2 24.9 277 289 A V < + 0 0 44 -3,-1.6 2,-0.2 -183,-0.1 -185,-0.1 -0.331 15.8 169.0 -64.2 139.5 18.7 43.0 22.6 278 290 A T - 0 0 82 -187,-0.4 -2,-0.0 -2,-0.0 -1,-0.0 -0.783 38.7-110.1-137.6 179.3 19.3 43.4 18.9 279 291 A K - 0 0 131 -2,-0.2 -187,-0.1 -184,-0.0 -150,-0.1 -0.715 36.8-170.1-122.4 82.2 17.7 42.1 15.7 280 292 A P - 0 0 34 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.217 24.1-119.9 -66.6 158.7 19.8 39.5 14.0 281 293 A V - 0 0 115 -153,-0.0 2,-0.1 2,-0.0 -154,-0.1 -0.902 27.9-142.4-102.0 115.8 19.1 38.1 10.5 282 294 A P - 0 0 10 0, 0.0 2,-0.9 0, 0.0 -154,-0.1 -0.493 12.3-124.9 -78.2 149.6 18.5 34.4 10.6 283 295 A H - 0 0 177 -2,-0.1 2,-0.4 -155,-0.0 -157,-0.0 -0.852 36.5-172.1 -94.9 108.4 19.8 32.2 7.8 284 296 A L - 0 0 21 -2,-0.9 2,-0.7 -158,-0.1 -158,-0.0 -0.841 21.7-148.4-107.6 140.3 16.7 30.3 6.5 285 297 A R 0 0 173 -2,-0.4 -2,-0.0 1,-0.2 -203,-0.0 -0.917 360.0 360.0-105.2 108.0 16.6 27.5 4.0 286 298 A L 0 0 141 -2,-0.7 -1,-0.2 -212,-0.0 0, 0.0 0.753 360.0 360.0-105.2 360.0 13.3 27.9 2.1