==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-JUL-09 3IG7 . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.PANDIT . 278 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14047.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 62.6 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 . 37 13.3 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 . 1 0.4 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 . 15 5.4 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 . 77 27.7 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 3 0 1 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 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 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 37 0, 0.0 3,-2.2 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 -15.4 -13.3 31.0 -3.0 2 2 A E T 3 + 0 0 143 1,-0.3 22,-0.0 3,-0.0 0, 0.0 0.765 360.0 65.4 -61.5 -24.6 -13.3 31.2 -6.8 3 3 A N T 3 S+ 0 0 78 20,-0.1 21,-3.5 21,-0.1 22,-0.4 0.567 94.3 76.2 -73.7 -9.7 -10.8 34.0 -6.5 4 4 A F E < -A 23 0A 20 -3,-2.2 2,-0.5 19,-0.2 19,-0.2 -0.804 60.8-157.7-111.0 151.0 -8.1 31.6 -5.1 5 5 A Q E -A 22 0A 115 17,-2.0 17,-2.8 -2,-0.3 2,-0.1 -0.971 23.8-133.7-124.2 106.3 -5.9 28.9 -6.6 6 6 A K E +A 21 0A 106 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.405 25.4 177.3 -60.7 137.1 -4.7 26.3 -4.2 7 7 A V E - 0 0 82 13,-3.6 2,-0.3 1,-0.4 14,-0.2 0.717 59.8 -23.2-107.5 -47.8 -1.0 25.6 -4.5 8 8 A E E -A 20 0A 113 12,-1.5 12,-3.3 0, 0.0 -1,-0.4 -0.951 63.6 -97.3-164.4 153.1 -0.3 23.1 -1.7 9 9 A K E -A 19 0A 126 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.672 33.4-176.5 -76.5 121.5 -1.6 21.8 1.6 10 10 A I E - 0 0 65 8,-2.7 2,-0.3 -2,-0.4 9,-0.2 0.537 54.4 -54.4 -95.8 -21.7 0.4 23.6 4.4 11 11 A G E -A 18 0A 28 7,-1.2 7,-2.8 0, 0.0 2,-0.4 -0.971 45.6 -98.7 163.4 178.7 -1.0 21.9 7.4 12 12 A E E -A 17 0A 100 -2,-0.3 5,-0.2 5,-0.2 21,-0.0 -0.926 17.0-173.5-135.2 110.2 -4.2 21.0 9.4 13 13 A G - 0 0 36 3,-1.6 4,-0.1 -2,-0.4 -1,-0.1 0.550 44.0-125.9 -76.3 -11.8 -5.1 23.2 12.4 14 14 A T S S+ 0 0 137 2,-1.1 3,-0.1 1,-0.1 -1,-0.1 0.627 108.1 82.9 66.3 19.0 -7.8 20.6 13.0 15 15 A Y S S- 0 0 70 1,-0.6 2,-0.3 19,-0.1 -1,-0.1 0.505 121.5 -55.0-101.9 -33.4 -10.0 23.7 13.0 16 16 A G S S- 0 0 20 19,-0.2 -3,-1.6 2,-0.0 -2,-1.1 -0.956 72.7 -62.0 169.3-174.7 -9.7 22.9 9.3 17 17 A V E -A 12 0A 27 17,-0.4 17,-2.6 -2,-0.3 2,-0.5 -0.676 42.8-141.0 -96.2 150.0 -7.1 22.4 6.5 18 18 A V E -AB 11 33A 29 -7,-2.8 -8,-2.7 -2,-0.3 -7,-1.2 -0.965 16.1-165.6-116.8 127.3 -4.7 25.1 5.5 19 19 A Y E -AB 9 32A 48 13,-3.1 13,-3.4 -2,-0.5 2,-0.4 -0.962 24.3-132.7-114.2 139.9 -3.7 25.8 2.0 20 20 A K E +AB 8 31A 43 -12,-3.3 -13,-3.6 -2,-0.4 -12,-1.5 -0.677 49.7 173.7 -71.2 128.9 -0.9 27.8 0.4 21 21 A A E -AB 6 30A 0 9,-2.9 9,-3.3 -2,-0.4 2,-0.4 -0.970 32.8-131.3-146.1 158.2 -2.9 29.7 -2.2 22 22 A R E -AB 5 29A 118 -17,-2.8 -17,-2.0 -2,-0.3 2,-0.7 -0.933 22.3-127.5-113.2 134.8 -2.7 32.4 -4.9 23 23 A N E > -A 4 0A 21 5,-3.3 4,-2.0 -2,-0.4 -19,-0.2 -0.704 15.2-149.1 -79.2 115.8 -5.2 35.3 -5.3 24 24 A K T 4 S+ 0 0 121 -21,-3.5 -1,-0.2 -2,-0.7 -20,-0.1 0.773 93.4 34.0 -56.0 -32.6 -6.3 35.2 -8.9 25 25 A L T 4 S+ 0 0 152 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.910 126.2 33.9 -91.0 -52.4 -6.8 39.0 -9.0 26 26 A T T 4 S- 0 0 94 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.864 92.3-130.9 -68.9 -43.2 -4.1 40.4 -6.7 27 27 A G < + 0 0 35 -4,-2.0 -3,-0.1 1,-0.3 -1,-0.1 0.331 55.8 151.8 99.7 -4.7 -1.4 37.9 -7.5 28 28 A E - 0 0 83 -6,-0.1 -5,-3.3 -5,-0.1 2,-0.4 -0.302 43.7-140.9 -59.6 137.2 -0.9 37.6 -3.7 29 29 A V E +B 22 0A 53 -7,-0.2 46,-0.6 -3,-0.1 2,-0.3 -0.852 38.4 164.5-100.0 120.4 0.3 34.2 -2.3 30 30 A V E -BC 21 74A 0 -9,-3.3 -9,-2.9 -2,-0.4 2,-0.5 -0.859 42.2-110.3-131.4 175.9 -1.6 33.6 1.0 31 31 A A E -BC 20 73A 14 42,-2.3 42,-2.9 -2,-0.3 2,-0.5 -0.989 31.9-159.9-110.8 117.0 -2.5 30.8 3.5 32 32 A L E -BC 19 72A 1 -13,-3.4 -13,-3.1 -2,-0.5 2,-0.6 -0.892 2.9-163.9 -99.8 126.5 -6.2 29.9 3.3 33 33 A K E -BC 18 71A 6 38,-2.6 38,-2.4 -2,-0.5 2,-0.5 -0.938 8.5-150.4-109.9 126.5 -7.7 28.1 6.3 34 34 A K E C 0 70A 45 -17,-2.6 -17,-0.4 -2,-0.6 36,-0.2 -0.849 360.0 360.0 -89.4 122.8 -11.0 26.3 5.7 35 35 A I 0 0 49 34,-4.1 34,-1.0 -2,-0.5 -19,-0.2 -0.686 360.0 360.0 -95.2 360.0 -13.0 26.3 8.9 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 61 0, 0.0 5,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 124.4 -21.3 29.6 10.9 38 45 A P > - 0 0 84 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.037 360.0-129.5 -45.9 142.3 -22.5 31.1 14.2 39 46 A S H > S+ 0 0 61 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.903 110.0 56.7 -60.4 -41.0 -23.1 34.9 14.2 40 47 A T H > S+ 0 0 84 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.901 105.8 49.4 -59.7 -42.0 -21.0 35.2 17.3 41 48 A A H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.950 110.4 52.0 -64.5 -42.4 -18.0 33.5 15.6 42 49 A I H X S+ 0 0 46 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.921 111.0 46.7 -59.0 -45.2 -18.5 36.0 12.6 43 50 A R H X S+ 0 0 167 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.922 114.0 46.8 -67.9 -37.8 -18.5 39.0 14.9 44 51 A E H X S+ 0 0 54 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.842 111.9 51.1 -75.6 -29.2 -15.4 37.8 16.9 45 52 A I H >X S+ 0 0 0 -4,-2.5 4,-1.2 -5,-0.2 3,-0.6 0.954 105.7 55.7 -67.4 -47.1 -13.5 37.0 13.7 46 53 A S H >< S+ 0 0 47 -4,-2.4 3,-0.9 -5,-0.3 4,-0.3 0.917 104.4 53.4 -54.4 -39.7 -14.3 40.4 12.3 47 54 A L H >< S+ 0 0 118 -4,-1.5 3,-1.8 1,-0.3 4,-0.5 0.875 101.0 60.7 -69.9 -24.2 -12.7 42.0 15.4 48 55 A L H X< S+ 0 0 23 -4,-1.2 3,-1.0 -3,-0.6 11,-0.3 0.827 91.6 68.6 -70.0 -26.0 -9.5 40.0 14.8 49 56 A K T << S+ 0 0 79 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.634 100.9 47.0 -63.3 -16.5 -9.3 41.7 11.4 50 57 A E T < S+ 0 0 157 -3,-1.8 2,-1.9 -4,-0.3 -1,-0.2 0.473 84.3 95.2-104.8 -2.5 -8.4 45.0 13.3 51 58 A L < + 0 0 12 -3,-1.0 2,-0.5 -4,-0.5 8,-0.2 -0.548 58.8 166.6 -90.3 73.5 -5.9 43.4 15.6 52 59 A N + 0 0 76 -2,-1.9 5,-0.1 6,-0.1 6,-0.1 -0.839 5.4 146.7 -98.2 128.7 -2.9 44.4 13.4 53 60 A H > - 0 0 38 -2,-0.5 3,-2.3 3,-0.4 54,-0.0 -0.990 55.0-116.6-156.5 145.7 0.6 44.2 14.7 54 61 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 80,-0.0 0.714 117.3 50.9 -58.8 -20.9 3.9 43.4 13.0 55 62 A N T 3 S+ 0 0 11 48,-0.1 81,-2.9 80,-0.1 2,-0.4 -0.007 98.6 79.4-105.3 22.6 4.3 40.4 15.3 56 63 A I B < S-e 136 0B 10 -3,-2.3 -3,-0.4 79,-0.3 81,-0.2 -0.987 91.1-108.8-128.4 128.2 0.8 39.0 14.5 57 64 A V - 0 0 8 79,-2.5 2,-0.4 -2,-0.4 -2,-0.1 -0.319 43.7-113.1 -55.3 120.1 0.1 37.1 11.3 58 65 A K - 0 0 89 -4,-0.1 16,-2.6 1,-0.1 2,-0.9 -0.445 18.2-146.6 -61.5 118.1 -2.1 39.4 9.2 59 66 A L E -D 73 0A 12 -2,-0.4 14,-0.3 -11,-0.3 3,-0.1 -0.793 20.2-176.1 -86.3 111.1 -5.6 38.2 8.7 60 67 A L E - 0 0 38 12,-2.7 2,-0.3 -2,-0.9 13,-0.2 0.941 55.9 -14.3 -78.8 -46.8 -6.3 39.6 5.2 61 68 A D E -D 72 0A 93 11,-1.2 11,-3.3 2,-0.0 2,-0.4 -0.969 49.3-141.2-159.1 155.5 -9.9 38.6 4.7 62 69 A V E -D 71 0A 25 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.994 22.5-168.8-123.0 114.5 -12.7 36.5 6.1 63 70 A I E -D 70 0A 39 7,-2.9 7,-3.2 -2,-0.4 2,-0.4 -0.913 7.7-174.6-112.3 133.1 -15.0 34.9 3.5 64 71 A H E +D 69 0A 63 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.970 22.5 144.5-130.0 110.0 -18.3 33.1 4.4 65 72 A T E > +D 68 0A 41 3,-1.4 3,-3.5 -2,-0.4 -2,-0.0 -0.919 67.0 11.8-143.7 157.1 -20.1 31.3 1.5 66 73 A E T 3 S- 0 0 170 1,-0.3 -1,-0.1 -2,-0.3 3,-0.1 0.843 127.3 -75.3 30.4 46.0 -22.2 28.1 1.2 67 74 A N T 3 S+ 0 0 120 1,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.796 106.3 124.5 18.7 58.0 -22.0 28.6 5.0 68 75 A K E < - D 0 65A 111 -3,-3.5 -3,-1.4 -31,-0.1 2,-0.5 -0.884 58.0-126.1-119.2 148.3 -18.4 27.4 5.1 69 76 A L E - D 0 64A 1 -34,-1.0 -34,-4.1 -2,-0.3 2,-0.5 -0.929 22.8-174.4-111.6 129.4 -15.7 29.7 6.6 70 77 A Y E -CD 34 63A 23 -7,-3.2 -7,-2.9 -2,-0.5 2,-0.5 -0.964 6.7-164.5-119.3 128.3 -12.5 30.8 5.0 71 78 A L E -CD 33 62A 0 -38,-2.4 -38,-2.6 -2,-0.5 2,-0.7 -0.918 8.4-156.2-106.6 127.0 -9.7 32.8 6.6 72 79 A V E -CD 32 61A 4 -11,-3.3 -12,-2.7 -2,-0.5 -11,-1.2 -0.916 19.4-179.9-105.9 112.3 -7.2 34.4 4.3 73 80 A F E -CD 31 59A 30 -42,-2.9 -42,-2.3 -2,-0.7 -14,-0.2 -0.839 36.6 -99.0-107.6 159.3 -3.9 35.1 6.1 74 81 A E E -C 30 0A 48 -16,-2.6 2,-0.4 -2,-0.3 -44,-0.2 -0.354 51.2-116.1 -59.1 154.3 -0.6 36.6 4.9 75 82 A F - 0 0 38 -46,-0.6 2,-0.4 -54,-0.1 -46,-0.1 -0.849 28.7-170.7-106.0 133.8 1.8 33.7 4.1 76 83 A L - 0 0 15 -2,-0.4 53,-0.1 53,-0.1 52,-0.0 -0.940 21.5-135.2-118.8 145.6 5.0 33.0 5.9 77 84 A H S S+ 0 0 99 -2,-0.4 2,-0.3 51,-0.1 52,-0.1 0.594 76.5 16.0 -81.1 -12.8 7.5 30.4 4.8 78 85 A Q E -F 128 0B 31 50,-1.2 50,-2.8 202,-0.1 2,-0.3 -0.990 60.4-140.5-153.1 163.0 8.4 28.6 7.9 79 86 A D E > -F 127 0B 20 -2,-0.3 4,-2.1 48,-0.3 48,-0.2 -0.748 31.4-109.9-120.3 166.6 7.3 28.0 11.5 80 87 A L H > S+ 0 0 0 46,-2.3 4,-2.9 43,-1.2 44,-0.2 0.814 113.5 60.2 -69.3 -32.8 9.3 27.7 14.7 81 88 A K H > S+ 0 0 39 42,-0.8 4,-2.7 45,-0.2 5,-0.2 0.993 110.9 40.6 -57.1 -54.0 8.7 24.0 15.1 82 89 A K H > S+ 0 0 116 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.891 114.7 52.2 -62.1 -37.8 10.3 23.3 11.8 83 90 A F H X S+ 0 0 2 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.899 110.4 48.6 -65.8 -39.7 13.1 25.8 12.4 84 91 A M H < S+ 0 0 20 -4,-2.9 3,-0.3 2,-0.2 -2,-0.2 0.946 112.2 48.3 -64.0 -44.9 13.9 24.3 15.8 85 92 A D H >< S+ 0 0 107 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.934 114.3 46.9 -61.5 -43.2 13.9 20.8 14.2 86 93 A A H 3< S+ 0 0 74 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.717 115.5 45.2 -69.7 -26.6 16.2 22.2 11.5 87 94 A S T 3X S+ 0 0 0 -4,-1.7 4,-3.7 -3,-0.3 -1,-0.3 0.165 82.2 111.3 -97.0 11.0 18.5 23.9 14.0 88 95 A A T <4 S+ 0 0 43 -3,-1.2 -1,-0.2 2,-0.2 -2,-0.1 0.746 70.3 53.0 -61.1 -30.6 18.6 20.9 16.4 89 96 A L T 4 S+ 0 0 166 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.910 129.6 17.3 -76.3 -38.7 22.3 19.9 15.9 90 97 A T T 4 S- 0 0 109 -3,-0.1 -2,-0.2 3,-0.0 -1,-0.1 0.723 103.8-131.6-101.3 -25.5 23.6 23.4 16.7 91 98 A G < - 0 0 11 -4,-3.7 -3,-0.1 -7,-0.2 88,-0.1 0.329 38.3 -66.0 80.2 141.4 20.6 25.0 18.4 92 99 A I - 0 0 11 86,-0.4 5,-0.1 1,-0.1 -8,-0.0 -0.447 65.4-102.6 -53.4 133.5 19.2 28.5 17.5 93 100 A P >> - 0 0 71 0, 0.0 4,-2.3 0, 0.0 3,-1.4 -0.240 27.6-117.7 -59.0 142.0 21.9 31.1 18.5 94 101 A L H 3> S+ 0 0 66 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.846 112.3 55.6 -50.0 -45.8 21.1 32.9 21.7 95 102 A P H 3> S+ 0 0 67 0, 0.0 4,-1.9 0, 0.0 177,-0.4 0.843 111.8 46.2 -58.1 -31.9 20.9 36.4 20.1 96 103 A L H <> S+ 0 0 5 -3,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.874 109.8 52.0 -79.6 -37.3 18.2 34.9 17.8 97 104 A I H X S+ 0 0 6 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.936 112.5 48.3 -58.9 -50.2 16.4 33.2 20.7 98 105 A K H X S+ 0 0 10 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.906 110.3 49.3 -55.6 -47.1 16.4 36.6 22.4 99 106 A S H X S+ 0 0 4 -4,-1.9 4,-2.6 -5,-0.2 5,-0.2 0.937 113.4 47.3 -65.1 -41.0 15.1 38.5 19.4 100 107 A Y H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.939 112.5 48.3 -66.0 -45.1 12.3 36.0 18.9 101 108 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.928 113.2 49.0 -57.4 -47.8 11.3 36.0 22.6 102 109 A F H X S+ 0 0 50 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.943 111.0 48.3 -57.2 -48.0 11.3 39.9 22.6 103 110 A Q H X S+ 0 0 11 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.893 111.4 50.0 -66.0 -39.2 9.1 40.2 19.4 104 111 A L H X S+ 0 0 1 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.930 108.8 52.9 -67.9 -37.7 6.6 37.6 20.7 105 112 A L H X S+ 0 0 0 -4,-2.5 4,-3.6 2,-0.2 -2,-0.2 0.869 108.4 50.1 -61.6 -37.7 6.4 39.6 23.9 106 113 A Q H X S+ 0 0 72 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.952 111.7 48.7 -66.3 -43.2 5.7 42.8 21.9 107 114 A G H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.922 115.2 44.2 -59.4 -44.5 3.0 40.9 20.0 108 115 A L H X S+ 0 0 1 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.928 108.3 56.2 -70.4 -43.0 1.5 39.7 23.3 109 116 A A H X S+ 0 0 19 -4,-3.6 4,-1.8 1,-0.2 -1,-0.2 0.902 110.8 49.0 -53.7 -39.5 1.8 43.1 25.0 110 117 A F H X S+ 0 0 47 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.944 114.4 39.9 -61.3 -60.4 -0.3 44.3 22.1 111 118 A C H ><>S+ 0 0 0 -4,-2.4 5,-2.9 1,-0.2 3,-0.7 0.940 115.9 52.4 -61.5 -44.4 -3.1 41.7 22.1 112 119 A H H ><5S+ 0 0 27 -4,-2.9 3,-1.6 1,-0.3 -1,-0.2 0.849 103.3 56.9 -59.8 -35.8 -3.2 41.7 25.9 113 120 A S H 3<5S+ 0 0 75 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.839 108.8 47.8 -67.0 -26.8 -3.6 45.5 26.0 114 121 A H T <<5S- 0 0 98 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.143 121.8-113.1 -90.4 8.5 -6.7 45.0 23.8 115 122 A R T < 5S+ 0 0 196 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.792 73.5 135.8 64.6 31.6 -7.9 42.3 26.2 116 123 A V < - 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0 0 6 -4,-1.7 24,-0.2 24,-0.4 -3,-0.2 0.238 45.6 -70.0 91.3 143.3 7.1 21.5 42.7 203 221 A T - 0 0 21 22,-2.1 24,-0.1 -5,-0.1 21,-0.0 -0.475 63.5-118.7 -61.7 128.4 3.5 20.5 43.5 204 222 A P + 0 0 2 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.377 41.1 171.0 -69.1 152.0 1.8 23.8 44.0 205 223 A D > - 0 0 74 -3,-0.0 4,-2.3 7,-0.0 3,-0.4 -0.832 52.5 -78.5-143.9-174.2 0.2 24.6 47.4 206 224 A E T 4 S+ 0 0 79 -2,-0.2 6,-0.1 1,-0.2 0, 0.0 0.756 121.9 64.3 -63.5 -20.7 -1.3 27.6 49.2 207 225 A V T 4 S+ 0 0 134 2,-0.2 -1,-0.2 1,-0.2 0, 0.0 0.925 118.0 21.9 -66.2 -53.2 2.2 29.0 49.9 208 226 A V T 4 S+ 0 0 68 -3,-0.4 44,-0.5 1,-0.2 -2,-0.2 0.710 137.9 31.3 -92.2 -19.3 3.2 29.6 46.3 209 227 A W S >< S- 0 0 12 -4,-2.3 3,-3.0 42,-0.1 4,-0.3 -0.626 75.5-151.2-142.6 83.9 -0.3 29.7 44.9 210 228 A P T 3 S+ 0 0 83 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.178 87.2 18.1 -55.1 123.9 -3.1 31.1 47.1 211 229 A G T > S+ 0 0 30 41,-0.0 3,-1.9 4,-0.0 4,-0.3 0.241 85.8 120.2 96.8 -10.4 -6.4 29.6 46.1 212 230 A V G X + 0 0 0 -3,-3.0 3,-1.9 1,-0.3 6,-0.1 0.883 70.0 58.9 -55.5 -39.8 -4.8 26.6 44.2 213 231 A T G 3 S+ 0 0 63 -4,-0.3 -1,-0.3 1,-0.3 -7,-0.0 0.630 101.5 55.1 -69.2 -14.7 -6.5 24.1 46.5 214 232 A S G < S+ 0 0 100 -3,-1.9 -1,-0.3 5,-0.1 -2,-0.2 0.292 79.2 122.6 -99.1 10.4 -10.0 25.3 45.6 215 233 A M S X S- 0 0 25 -3,-1.9 3,-1.3 -4,-0.3 -57,-0.1 -0.426 75.2-111.5 -69.9 150.9 -9.6 24.9 41.8 216 234 A P T 3 S+ 0 0 86 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.781 114.0 29.3 -56.8 -41.3 -12.2 22.7 40.1 217 235 A D T 3 S+ 0 0 73 -60,-3.0 2,-0.3 2,-0.0 -59,-0.2 0.265 89.7 121.5-106.9 14.4 -9.8 19.9 39.2 218 236 A Y < - 0 0 37 -3,-1.3 3,-0.0 -61,-0.4 -61,-0.0 -0.617 44.3-165.2 -70.9 131.7 -7.4 20.3 42.1 219 237 A K > - 0 0 97 -2,-0.3 3,-2.6 1,-0.1 -5,-0.1 -0.975 26.1-143.0-127.2 133.2 -7.1 17.2 44.3 220 238 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.750 101.2 65.7 -61.3 -20.9 -5.7 16.9 47.8 221 239 A S T 3 + 0 0 100 2,-0.0 3,-0.1 -3,-0.0 -3,-0.0 0.330 69.6 125.6 -81.8 1.5 -4.3 13.5 46.7 222 240 A F S < S- 0 0 16 -3,-2.6 -19,-0.0 1,-0.1 2,-0.0 -0.462 73.7-103.1 -57.9 141.4 -1.9 14.9 44.1 223 241 A P - 0 0 54 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.348 31.6-124.1 -62.3 148.8 1.5 13.6 44.8 224 242 A K + 0 0 178 -3,-0.1 2,-0.3 -22,-0.1 -25,-0.0 -0.788 33.5 180.0-103.0 94.9 3.8 16.2 46.5 225 243 A W - 0 0 83 -2,-0.8 -22,-2.1 -21,-0.1 2,-0.2 -0.703 26.1-119.7 -93.0 149.6 7.0 16.8 44.5 226 244 A A - 0 0 72 -2,-0.3 -24,-0.4 -24,-0.2 2,-0.1 -0.588 32.3-106.4 -82.9 147.9 9.8 19.2 45.5 227 245 A R - 0 0 113 -26,-0.3 -26,-0.2 -2,-0.2 2,-0.2 -0.424 30.9-147.5 -70.6 154.1 10.8 22.1 43.2 228 246 A Q - 0 0 78 -28,-2.3 2,-0.3 -2,-0.1 -1,-0.0 -0.549 27.3 -96.0-101.1 177.6 14.1 21.6 41.3 229 247 A D >> - 0 0 120 -2,-0.2 3,-1.9 1,-0.1 4,-1.0 -0.793 19.7-126.4 -99.7 156.3 16.3 24.6 40.4 230 248 A F H 3> S+ 0 0 20 -2,-0.3 4,-2.6 1,-0.3 -1,-0.1 0.698 108.3 69.1 -65.0 -23.1 16.2 26.4 37.0 231 249 A S H 34 S+ 0 0 57 1,-0.2 -1,-0.3 2,-0.2 6,-0.0 0.854 105.6 42.5 -64.3 -29.2 20.0 25.9 36.7 232 250 A K H <4 S+ 0 0 151 -3,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.731 115.7 50.7 -82.9 -22.6 19.1 22.2 36.3 233 251 A V H < S+ 0 0 30 -4,-1.0 -2,-0.2 1,-0.2 -3,-0.1 0.903 127.6 12.6 -88.9 -33.7 16.1 22.9 34.0 234 252 A V S >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.1 -1,-0.2 -0.138 80.6 176.5-134.8 49.6 17.5 25.2 31.3 235 253 A P T 3 + 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.442 66.8 50.3 -35.1 -49.5 21.2 24.9 31.9 236 254 A P T 3 S+ 0 0 99 0, 0.0 -5,-0.0 0, 0.0 -56,-0.0 0.888 88.3 104.7 -63.6 -32.3 23.0 26.8 29.3 237 255 A L S < S- 0 0 6 -3,-2.0 -3,-0.1 1,-0.1 5,-0.0 -0.129 71.4-120.0 -58.0 136.7 20.9 29.9 29.9 238 256 A D > - 0 0 63 1,-0.1 4,-3.2 3,-0.1 5,-0.3 -0.008 30.7 -95.2 -74.8 173.9 22.4 32.8 31.8 239 257 A E H > S+ 0 0 116 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.870 123.2 51.6 -56.4 -39.9 21.2 34.3 35.0 240 258 A D H > S+ 0 0 72 1,-0.2 4,-2.7 2,-0.2 27,-0.3 0.953 113.5 44.1 -59.5 -53.7 19.2 37.0 33.3 241 259 A G H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.883 114.8 48.6 -59.0 -42.5 17.4 34.5 31.0 242 260 A R H X S+ 0 0 53 -4,-3.2 4,-2.9 2,-0.2 -1,-0.2 0.928 110.5 51.3 -69.7 -37.8 16.8 32.1 33.9 243 261 A S H X S+ 0 0 41 -4,-2.7 4,-1.9 -5,-0.3 -2,-0.2 0.952 112.4 46.6 -60.3 -47.6 15.4 34.8 36.1 244 262 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.935 111.5 51.2 -60.3 -44.5 13.0 35.9 33.3 245 263 A L H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 3,-0.4 0.957 107.2 53.2 -61.7 -45.4 12.0 32.3 32.7 246 264 A S H < S+ 0 0 27 -4,-2.9 -1,-0.2 1,-0.2 3,-0.2 0.860 109.3 49.5 -58.0 -39.6 11.2 31.7 36.4 247 265 A Q H >< S+ 0 0 65 -4,-1.9 10,-1.9 1,-0.2 3,-0.7 0.835 109.7 49.9 -69.7 -28.9 8.9 34.8 36.4 248 266 A M H 3< S+ 0 0 0 -4,-1.9 -76,-0.2 -3,-0.4 -1,-0.2 0.721 113.3 49.7 -76.9 -17.5 7.1 33.6 33.2 249 267 A L T 3< S+ 0 0 1 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.198 75.3 136.9-109.3 18.9 6.6 30.3 34.9 250 268 A H < - 0 0 60 -3,-0.7 6,-0.2 1,-0.2 -3,-0.1 -0.301 53.7-136.9 -63.7 134.9 5.3 31.5 38.4 251 269 A Y S S+ 0 0 5 -50,-0.1 -97,-0.2 4,-0.1 -1,-0.2 0.943 86.3 76.2 -55.4 -56.3 2.4 29.2 39.4 252 270 A D S >> S- 0 0 20 -44,-0.5 3,-2.3 1,-0.2 4,-1.5 -0.627 76.3-146.7 -66.8 120.8 0.1 32.0 40.6 253 271 A P T 34 S+ 0 0 21 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.784 98.8 54.9 -55.1 -35.7 -1.3 33.7 37.5 254 272 A N T 34 S+ 0 0 136 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.629 108.8 46.5 -76.0 -11.5 -1.3 37.0 39.3 255 273 A K T <4 S+ 0 0 134 -3,-2.3 -1,-0.2 2,-0.1 3,-0.1 0.646 87.7 105.5 -99.6 -18.4 2.5 36.8 40.2 256 274 A R S < S- 0 0 14 -4,-1.5 -8,-0.2 -6,-0.2 -9,-0.1 -0.283 83.9-101.7 -60.1 139.2 3.5 35.7 36.7 257 275 A I - 0 0 21 -10,-1.9 -1,-0.1 -13,-0.2 2,-0.1 -0.270 33.3-124.2 -64.1 146.8 5.2 38.6 34.8 258 276 A S > - 0 0 61 1,-0.1 4,-2.0 -3,-0.1 5,-0.1 -0.423 22.8-112.6 -81.1 164.4 3.1 40.5 32.3 259 277 A A H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 -150,-0.2 0.875 117.8 54.5 -64.5 -38.6 4.4 40.8 28.7 260 278 A K H > S+ 0 0 154 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.926 111.8 42.0 -63.9 -44.7 4.9 44.5 29.2 261 279 A A H >> S+ 0 0 50 1,-0.2 3,-1.1 2,-0.2 4,-0.6 0.866 108.6 60.1 -68.4 -31.9 7.1 44.1 32.3 262 280 A A H >< S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.3 6,-0.2 0.886 97.6 59.9 -66.5 -30.4 8.9 41.2 30.6 263 281 A L H 3< S+ 0 0 29 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.741 105.0 50.4 -67.6 -21.6 10.0 43.6 27.8 264 282 A A H << S+ 0 0 81 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.535 83.7 120.4 -90.8 -4.2 11.8 45.7 30.5 265 283 A H S X< S- 0 0 16 -3,-1.2 3,-2.3 -4,-0.6 4,-0.3 -0.304 76.8-115.4 -64.5 144.8 13.7 42.8 32.1 266 284 A P G > S+ 0 0 74 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.670 108.1 77.1 -50.3 -26.4 17.5 43.0 32.1 267 285 A F G > S+ 0 0 0 -27,-0.3 3,-0.5 1,-0.3 -26,-0.1 0.858 93.9 51.8 -54.5 -33.6 17.7 40.0 29.8 268 286 A F G X S+ 0 0 11 -3,-2.3 3,-2.4 -6,-0.2 -1,-0.3 0.476 76.1 104.8 -88.4 5.8 16.7 42.3 26.9 269 287 A Q G < S+ 0 0 162 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.863 92.6 31.4 -51.1 -44.5 19.4 44.9 27.6 270 288 A D G < S+ 0 0 104 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 -0.200 86.7 152.8-104.5 35.1 21.5 43.7 24.6 271 289 A V < + 0 0 44 -3,-2.4 2,-0.2 -173,-0.1 -175,-0.1 -0.457 14.7 169.2 -67.5 145.6 18.6 42.6 22.4 272 290 A T - 0 0 82 -177,-0.4 -2,-0.0 -2,-0.1 -1,-0.0 -0.817 37.5-113.7-140.4 175.3 19.3 42.8 18.7 273 291 A K - 0 0 130 -2,-0.2 -177,-0.1 -174,-0.0 -140,-0.1 -0.675 36.6-176.4-122.7 85.7 17.6 41.6 15.5 274 292 A P - 0 0 35 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.165 27.0-116.1 -69.6 163.0 19.7 38.9 13.8 275 293 A V - 0 0 116 -143,-0.0 2,-0.2 3,-0.0 -144,-0.1 -0.882 29.0-132.9-102.0 131.7 18.8 37.2 10.5 276 294 A P - 0 0 11 0, 0.0 2,-1.0 0, 0.0 -144,-0.1 -0.547 16.8-115.3 -80.4 159.8 18.1 33.5 10.6 277 295 A H + 0 0 120 -2,-0.2 2,-0.3 2,-0.0 -147,-0.0 -0.789 49.0 174.7 -89.3 88.6 19.6 30.9 8.2 278 296 A L - 0 0 32 -2,-1.0 2,-0.3 -148,-0.1 -200,-0.0 -0.827 18.6-175.0-104.4 159.9 16.4 29.7 6.4 279 297 A R 0 0 235 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.950 360.0 360.0-149.9 121.4 15.8 27.3 3.4 280 298 A L 0 0 150 -2,-0.3 -202,-0.1 -202,-0.0 -203,-0.0 -0.223 360.0 360.0-111.0 360.0 12.5 26.5 1.7