==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-NOV-05 2C5Y . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.KONTOPIDIS,C.MCINNES,S.R.PANDALANENI,I.MCNAE,D.GIBSON, . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14068.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 61.4 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 . 40 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 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-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 . 16 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 2 1 1 0 0 1 0 1 0 0 0 1 0 0 1 0 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 1 1 0 1 2 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 49 0, 0.0 3,-1.5 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 124.9 40.0 29.4 39.5 2 2 A E T 3 + 0 0 135 1,-0.3 22,-0.0 3,-0.1 0, 0.0 0.746 360.0 63.6 -58.6 -34.0 39.8 30.7 43.0 3 3 A N T 3 S+ 0 0 71 20,-0.1 21,-2.9 1,-0.1 22,-0.4 0.505 97.3 62.4 -79.7 -4.2 37.3 33.5 42.3 4 4 A F E < -A 23 0A 18 -3,-1.5 2,-0.9 19,-0.2 19,-0.2 -0.967 63.3-145.5-126.4 131.0 34.4 31.3 41.2 5 5 A Q E -A 22 0A 104 17,-1.8 17,-1.2 -2,-0.4 2,-0.2 -0.793 24.7-139.4 -85.2 105.6 32.2 28.6 42.7 6 6 A K E +A 21 0A 100 -2,-0.9 15,-0.3 15,-0.2 3,-0.1 -0.468 24.9 178.9 -51.0 123.1 31.4 26.1 40.0 7 7 A V E - 0 0 58 13,-3.4 2,-0.3 1,-0.3 14,-0.2 0.714 58.3 -16.7-106.2 -28.7 27.7 25.4 40.7 8 8 A E E -A 20 0A 109 12,-1.9 12,-3.1 0, 0.0 -1,-0.3 -0.869 59.4-107.7-171.6 147.7 27.0 23.0 37.9 9 9 A K E +A 19 0A 110 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.528 37.1 174.2 -67.9 124.8 28.2 21.6 34.6 10 10 A I E - 0 0 57 8,-3.4 2,-0.3 1,-0.3 9,-0.2 0.707 55.0 -21.8-108.5 -18.1 25.8 23.1 32.2 11 11 A G E -A 18 0A 27 7,-1.5 7,-0.9 2,-0.0 2,-0.4 -0.959 49.8-116.6-173.8 172.7 27.3 21.9 28.9 12 12 A E E -A 17 0A 95 -2,-0.3 5,-0.3 5,-0.2 2,-0.1 -0.985 30.9-164.3-137.5 127.7 30.2 20.7 26.9 13 13 A G - 0 0 14 3,-4.6 141,-0.4 -2,-0.4 140,-0.3 -0.234 37.0-104.2 -95.7-176.2 31.5 22.8 24.0 14 14 A T S S+ 0 0 9 138,-0.2 139,-2.0 139,-0.1 141,-0.2 0.908 124.0 30.5 -65.0 -41.7 33.7 22.0 21.1 15 15 A Y S S- 0 0 30 137,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.891 130.9 -31.0 -90.8 -40.6 36.5 23.8 23.0 16 16 A G - 0 0 1 19,-0.2 -3,-4.6 137,-0.0 2,-0.4 -0.840 67.8 -69.8-162.3 177.9 35.6 23.3 26.5 17 17 A V E -AB 12 34A 7 17,-1.0 17,-2.6 -5,-0.3 2,-0.5 -0.830 34.0-141.0 -94.6 140.9 33.1 22.7 29.2 18 18 A V E -AB 11 33A 27 -7,-0.9 -8,-3.4 -2,-0.4 -7,-1.5 -0.821 17.4-175.6 -92.9 125.7 30.6 25.3 30.6 19 19 A Y E -AB 9 32A 33 13,-2.3 13,-3.6 -2,-0.5 2,-0.4 -0.964 28.3-127.6-114.8 141.2 29.8 25.5 34.2 20 20 A K E +AB 8 31A 46 -12,-3.1 -13,-3.4 -2,-0.4 -12,-1.9 -0.740 48.6 169.8 -65.3 135.1 27.2 27.7 35.8 21 21 A A E -AB 6 30A 0 9,-2.2 9,-1.8 -2,-0.4 2,-0.5 -0.921 32.6-123.1-146.6 172.9 29.3 29.5 38.5 22 22 A R E -AB 5 29A 100 -17,-1.2 -17,-1.8 -2,-0.3 2,-0.8 -0.959 25.2-120.5-123.5 124.7 29.1 32.3 41.0 23 23 A N E > -A 4 0A 34 5,-6.4 4,-1.0 -2,-0.5 -19,-0.2 -0.562 23.3-147.0 -54.9 108.3 31.5 35.2 41.2 24 24 A K T 4 S+ 0 0 139 -21,-2.9 -1,-0.2 -2,-0.8 -20,-0.1 0.564 94.3 34.6 -55.8 -5.1 32.7 34.6 44.8 25 25 A L T 4 S+ 0 0 151 -22,-0.4 -1,-0.1 3,-0.1 -2,-0.1 0.760 127.0 30.0-108.0 -68.8 33.0 38.5 45.0 26 26 A T T 4 S- 0 0 100 1,-0.1 -2,-0.1 2,-0.1 3,-0.1 0.389 95.4-133.4 -57.5 2.8 30.3 40.2 43.0 27 27 A G < + 0 0 42 -4,-1.0 -1,-0.1 1,-0.2 -3,-0.1 0.379 54.8 152.2 13.5 23.7 28.2 37.2 43.8 28 28 A E - 0 0 122 -6,-0.2 -5,-6.4 1,-0.0 2,-0.4 -0.256 43.3-135.8 -55.2 136.3 27.3 37.4 40.0 29 29 A V E +B 22 0A 28 -7,-0.3 47,-0.7 -3,-0.1 2,-0.3 -0.862 35.3 167.8 -95.6 140.2 26.4 34.0 38.4 30 30 A V E -BC 21 75A 3 -9,-1.8 -9,-2.2 -2,-0.4 2,-0.5 -0.773 42.4-104.2-143.1 167.8 28.2 33.6 35.1 31 31 A A E -BC 20 74A 13 43,-2.3 43,-2.3 -2,-0.3 2,-0.7 -0.985 37.2-152.0-104.6 124.0 28.8 30.8 32.6 32 32 A L E -BC 19 73A 4 -13,-3.6 -13,-2.3 -2,-0.5 2,-0.6 -0.866 6.0-159.9-106.4 112.0 32.4 29.8 33.0 33 33 A K E -BC 18 72A 9 39,-3.4 39,-2.6 -2,-0.7 2,-0.6 -0.832 2.0-164.0 -97.7 119.6 34.0 28.3 29.9 34 34 A K E BC 17 71A 55 -17,-2.6 -17,-1.0 -2,-0.6 37,-0.2 -0.872 360.0 360.0 -99.8 113.5 37.1 26.2 30.5 35 35 A I 0 0 45 35,-2.0 35,-0.9 -2,-0.6 -19,-0.2 -0.895 360.0 360.0-103.4 360.0 39.2 25.6 27.3 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 43 A G 0 0 48 0, 0.0 3,-0.4 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 79.7 49.3 28.9 27.7 38 44 A V > - 0 0 19 1,-0.2 5,-0.7 4,-0.1 2,-0.2 0.377 360.0 -95.0 -33.8 117.9 47.0 29.4 24.8 39 45 A P T > 5 - 0 0 110 0, 0.0 3,-2.1 0, 0.0 2,-0.7 -0.121 51.1-117.7 -55.2 112.0 49.1 30.0 21.7 40 46 A S T 3>5S+ 0 0 64 -3,-0.4 4,-1.9 1,-0.3 5,-0.1 0.003 105.4 65.6 -78.6 2.1 48.9 33.7 21.9 41 47 A T H 3>5S+ 0 0 91 -2,-0.7 4,-3.2 2,-0.2 -1,-0.3 0.806 104.4 61.2 -60.8 -32.8 47.3 35.1 18.8 42 48 A A H <>5S+ 0 0 5 -3,-2.1 4,-2.8 1,-0.2 5,-0.3 0.985 104.6 43.7 -57.0 -61.9 44.5 33.2 20.5 43 49 A I H >< S+ 0 0 0 -4,-2.8 3,-1.7 -5,-0.3 4,-0.4 0.868 108.5 55.3 -76.2 -52.5 39.9 36.5 22.2 47 53 A S H >< S+ 0 0 40 -4,-2.4 3,-1.2 -5,-0.3 -2,-0.2 0.833 102.3 65.4 -46.6 -34.5 40.7 39.2 24.8 48 54 A L G >< S+ 0 0 114 -4,-1.5 3,-1.5 -5,-0.3 -1,-0.2 0.708 85.5 68.0 -60.1 -22.5 39.6 41.6 22.0 49 55 A L G X S+ 0 0 18 -3,-1.7 3,-1.6 1,-0.3 11,-0.3 0.694 76.6 85.1 -81.3 -7.8 36.0 40.4 22.0 50 56 A K G < S+ 0 0 71 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.1 0.722 94.0 43.8 -68.4 -18.3 35.5 41.9 25.4 51 57 A E G < S+ 0 0 149 -3,-1.5 2,-1.7 -4,-0.1 -1,-0.3 0.466 86.3 95.0-101.2 -1.7 34.8 45.2 23.6 52 58 A L < + 0 0 16 -3,-1.6 2,-0.4 -4,-0.2 8,-0.1 -0.573 62.4 167.0 -84.1 80.6 32.5 43.6 20.9 53 59 A N + 0 0 54 -2,-1.7 5,-0.1 6,-0.1 6,-0.1 -0.787 9.2 146.2-108.7 127.0 29.4 44.4 23.0 54 60 A H > - 0 0 42 -2,-0.4 3,-2.3 3,-0.3 54,-0.0 -0.989 53.6-112.9-155.3 149.9 25.8 44.2 21.8 55 61 A P T 3 S+ 0 0 91 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.708 119.1 46.2 -57.6 -19.8 22.4 43.3 23.3 56 62 A N T 3 S+ 0 0 10 80,-0.1 81,-2.3 48,-0.1 2,-0.4 0.140 98.5 86.7-114.7 20.6 22.1 40.2 21.2 57 63 A I B < S-e 137 0B 9 -3,-2.3 -3,-0.3 79,-0.3 2,-0.2 -0.987 89.8-116.0-110.6 123.1 25.7 39.2 21.9 58 64 A V - 0 0 9 79,-2.2 81,-0.1 -2,-0.4 -2,-0.1 -0.485 44.4-111.5 -52.6 114.7 26.3 37.1 25.1 59 65 A K - 0 0 81 -2,-0.2 16,-1.7 -4,-0.1 2,-0.9 -0.364 20.9-145.4 -57.7 130.1 28.5 39.6 27.1 60 66 A L E +D 74 0A 12 -11,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.871 22.5 178.5 -90.6 104.3 32.0 38.3 27.4 61 67 A L E - 0 0 61 12,-1.9 2,-0.3 -2,-0.9 13,-0.2 0.926 55.3 -6.2 -81.7 -41.6 32.8 39.7 30.9 62 68 A D E -D 73 0A 78 11,-1.6 11,-3.2 2,-0.0 2,-0.4 -0.992 43.8-150.4-149.0 163.1 36.4 38.3 31.3 63 69 A V E -D 72 0A 22 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.958 19.5-173.4-124.0 140.4 39.2 36.2 30.0 64 70 A I E -D 71 0A 38 7,-1.9 7,-3.2 -2,-0.4 2,-0.7 -0.960 6.0-165.3-140.4 118.9 41.5 34.7 32.6 65 71 A H E +D 70 0A 75 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.923 17.5 166.7-111.9 107.8 44.5 32.8 31.4 66 72 A T E > -D 69 0A 42 3,-2.6 3,-2.8 -2,-0.7 -2,-0.1 -0.997 57.9 -42.5-129.0 140.8 46.1 30.7 34.1 67 73 A E T 3 S- 0 0 128 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.126 124.2 -24.1 36.5-130.1 48.7 28.0 33.7 68 74 A N T 3 S+ 0 0 136 -31,-0.1 2,-0.4 -3,-0.1 -1,-0.3 -0.087 124.1 92.6 -84.8 34.6 47.7 26.0 30.6 69 75 A K E < - D 0 66A 81 -3,-2.8 -3,-2.6 -31,-0.1 2,-0.4 -0.966 53.7-164.4-134.7 142.1 44.1 27.0 31.0 70 76 A L E - D 0 65A 0 -35,-0.9 -35,-2.0 -2,-0.4 2,-0.5 -0.989 9.6-163.4-124.2 118.7 41.9 29.9 29.6 71 77 A Y E -CD 34 64A 12 -7,-3.2 -7,-1.9 -2,-0.4 2,-0.5 -0.864 3.8-158.4-104.9 130.9 38.6 30.6 31.3 72 78 A L E -CD 33 63A 1 -39,-2.6 -39,-3.4 -2,-0.5 2,-0.5 -0.957 9.4-154.0-107.6 132.6 36.1 32.7 29.4 73 79 A V E +CD 32 62A 3 -11,-3.2 -12,-1.9 -2,-0.5 -11,-1.6 -0.930 19.0 178.0-113.4 117.9 33.5 34.3 31.8 74 80 A F E -CD 31 60A 25 -43,-2.3 -43,-2.3 -2,-0.5 -14,-0.2 -0.832 39.7 -94.1-123.2 151.6 30.1 35.1 30.2 75 81 A E E -C 30 0A 45 -16,-1.7 2,-0.4 -2,-0.3 -45,-0.2 -0.324 53.6-114.8 -57.9 148.3 26.8 36.6 31.5 76 82 A F - 0 0 32 -47,-0.7 2,-0.4 -46,-0.1 -1,-0.1 -0.789 32.7-173.2 -92.8 132.3 24.7 33.6 32.4 77 83 A L - 0 0 14 -2,-0.4 53,-0.1 53,-0.1 3,-0.1 -0.941 28.1-126.7-117.6 150.6 21.6 33.0 30.3 78 84 A H S S+ 0 0 115 -2,-0.4 2,-0.3 51,-0.3 52,-0.1 0.644 74.3 3.6 -85.4 -6.1 19.3 30.2 31.4 79 85 A Q E -F 129 0B 88 50,-1.1 50,-3.3 211,-0.0 2,-0.2 -0.994 59.8-116.4-167.3 166.0 19.0 28.2 28.3 80 86 A D E > -F 128 0B 24 -2,-0.3 4,-1.8 48,-0.3 48,-0.3 -0.588 31.3-113.2 -97.6 162.1 19.8 27.5 24.7 81 87 A L H > S+ 0 0 0 46,-3.1 4,-2.4 43,-0.8 5,-0.2 0.841 111.7 58.6 -59.8 -36.7 17.8 27.4 21.5 82 88 A K H > S+ 0 0 88 42,-0.9 4,-2.7 45,-0.3 -1,-0.2 0.960 108.4 42.9 -63.7 -40.5 18.2 23.7 21.0 83 89 A K H > S+ 0 0 93 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.856 114.1 51.8 -69.8 -42.3 16.6 22.7 24.4 84 90 A F H < S+ 0 0 19 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.863 111.5 47.5 -59.0 -42.6 13.8 25.3 23.9 85 91 A M H >< S+ 0 0 21 -4,-2.4 3,-1.2 -5,-0.2 -2,-0.2 0.919 113.0 47.4 -70.4 -36.9 13.2 23.8 20.4 86 92 A D H >< S+ 0 0 111 -4,-2.7 3,-1.9 1,-0.2 4,-0.3 0.948 107.0 59.0 -62.1 -43.6 13.2 20.3 21.9 87 93 A A T 3< S+ 0 0 78 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.536 111.7 42.6 -58.4 -8.7 10.9 21.7 24.6 88 94 A S T <> S+ 0 0 14 -3,-1.2 4,-3.5 -4,-0.2 -1,-0.3 0.085 71.2 114.4-131.9 27.5 8.5 22.6 21.7 89 95 A A T <4 S+ 0 0 56 -3,-1.9 -2,-0.1 2,-0.2 -3,-0.1 0.923 77.1 59.8 -40.2 -48.3 8.6 19.6 19.5 90 96 A L T 4 S+ 0 0 176 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.921 131.7 0.0 -67.3 -36.7 4.9 19.0 20.3 91 97 A T T 4 S- 0 0 108 3,-0.0 -1,-0.2 1,-0.0 -2,-0.2 0.552 95.6-130.3-120.5 -21.6 3.7 22.4 19.0 92 98 A G < - 0 0 11 -4,-3.5 -3,-0.1 -7,-0.2 99,-0.1 0.220 41.0 -60.9 81.0 153.5 6.7 24.3 17.7 93 99 A I - 0 0 13 97,-0.4 5,-0.1 1,-0.1 100,-0.0 -0.548 64.9-107.7 -63.4 131.3 7.8 27.8 18.5 94 100 A P > - 0 0 81 0, 0.0 4,-2.0 0, 0.0 3,-0.3 -0.236 27.1-113.6 -60.2 172.1 5.0 30.2 17.3 95 101 A L H > S+ 0 0 63 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.858 112.3 58.5 -84.5 -39.1 5.8 32.2 14.3 96 102 A P H > S+ 0 0 64 0, 0.0 4,-1.1 0, 0.0 188,-0.4 0.880 109.9 43.8 -60.3 -42.6 5.9 35.6 16.0 97 103 A L H > S+ 0 0 5 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.845 111.6 55.0 -63.0 -42.8 8.6 34.4 18.4 98 104 A I H X S+ 0 0 5 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.940 110.1 46.3 -52.0 -54.2 10.5 32.8 15.5 99 105 A K H X S+ 0 0 8 -4,-3.2 4,-2.5 2,-0.2 -1,-0.2 0.811 111.6 51.0 -54.6 -39.2 10.4 36.1 13.7 100 106 A S H X S+ 0 0 3 -4,-1.1 4,-2.4 -5,-0.2 5,-0.3 0.964 112.2 46.8 -74.0 -45.3 11.6 38.1 16.8 101 107 A Y H X S+ 0 0 0 -4,-2.7 4,-3.4 2,-0.2 5,-0.3 0.957 112.5 48.1 -56.9 -46.4 14.5 35.7 17.3 102 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.3 -1,-0.2 0.948 113.0 50.9 -67.4 -41.1 15.6 35.8 13.7 103 109 A F H X S+ 0 0 54 -4,-2.5 4,-1.4 2,-0.2 -1,-0.3 0.868 112.8 44.4 -55.0 -41.1 15.3 39.6 13.9 104 110 A Q H X S+ 0 0 13 -4,-2.4 4,-2.9 -3,-0.2 5,-0.2 0.914 112.3 52.4 -76.6 -40.3 17.4 39.8 17.0 105 111 A L H X S+ 0 0 0 -4,-3.4 4,-2.3 -5,-0.3 -2,-0.2 0.937 107.8 51.4 -64.9 -42.9 19.9 37.4 15.6 106 112 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.3 -1,-0.2 0.877 108.7 51.7 -60.8 -36.4 20.3 39.5 12.5 107 113 A Q H X S+ 0 0 65 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.961 108.6 51.2 -62.3 -47.8 20.9 42.5 14.6 108 114 A G H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.899 115.4 42.3 -48.1 -46.0 23.6 40.6 16.5 109 115 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.861 107.1 58.8 -79.3 -42.5 25.2 39.7 13.2 110 116 A A H X S+ 0 0 10 -4,-3.0 4,-1.4 -5,-0.2 -1,-0.2 0.946 111.8 45.2 -48.3 -45.8 24.8 43.1 11.6 111 117 A F H < S+ 0 0 45 -4,-2.4 4,-0.4 2,-0.2 3,-0.3 0.942 114.5 43.8 -59.9 -60.6 26.8 44.4 14.5 112 118 A C H ><>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 3,-1.6 0.939 114.4 51.9 -48.6 -48.9 29.6 41.7 14.5 113 119 A H H ><5S+ 0 0 27 -4,-2.8 3,-1.0 1,-0.3 -1,-0.2 0.763 103.2 57.0 -66.4 -31.2 29.9 41.9 10.8 114 120 A S T 3<5S+ 0 0 64 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.525 108.0 48.7 -70.1 -7.5 30.3 45.7 10.8 115 121 A H T < 5S- 0 0 89 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.104 122.8-110.3-118.5 17.3 33.3 45.2 13.1 116 122 A R T < 5S+ 0 0 208 -3,-1.0 2,-0.5 1,-0.2 -3,-0.2 0.705 75.9 132.7 51.8 36.2 34.6 42.6 10.7 117 123 A V < - 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0 0 15 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.470 28.4-137.7 -65.7 151.9 16.9 20.3 10.7 196 202 A L S S+ 0 0 29 -11,-0.3 -1,-0.1 1,-0.3 -34,-0.1 0.925 90.4 15.6 -83.2 -45.0 17.1 21.3 7.1 197 203 A F + 0 0 3 -36,-0.3 2,-2.2 2,-0.1 -1,-0.3 -0.604 69.7 179.6-127.7 73.9 20.3 19.7 6.0 198 204 A P - 0 0 37 0, 0.0 -37,-0.1 0, 0.0 7,-0.1 -0.316 15.1-178.8 -78.9 64.1 21.4 17.1 8.7 199 205 A G - 0 0 2 -2,-2.2 -39,-0.5 1,-0.1 -38,-0.1 -0.295 23.4-161.8 -56.3 140.8 24.6 15.8 7.1 200 206 A D S S+ 0 0 136 1,-0.2 2,-0.3 -41,-0.1 -1,-0.1 0.276 78.3 9.5-105.6 10.4 26.6 13.1 8.8 201 207 A S S > S- 0 0 50 1,-0.1 4,-3.4 -41,-0.0 5,-0.2 -0.925 90.7 -91.5-158.6 177.3 29.8 13.7 6.9 202 208 A E H > S+ 0 0 85 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.868 124.4 41.9 -57.8 -48.9 31.1 16.4 4.6 203 209 A I H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.860 115.8 51.0 -75.1 -37.2 30.0 14.8 1.3 204 210 A D H > S+ 0 0 33 2,-0.2 4,-2.6 3,-0.2 -2,-0.2 0.923 111.1 49.4 -57.1 -44.5 26.7 13.8 2.9 205 211 A Q H X S+ 0 0 0 -4,-3.4 4,-2.2 1,-0.2 -2,-0.2 0.959 112.9 46.5 -56.0 -49.3 26.3 17.4 4.0 206 212 A L H X S+ 0 0 6 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.915 112.9 49.6 -61.5 -41.5 27.0 18.8 0.6 207 213 A F H X S+ 0 0 43 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.911 107.0 52.3 -71.8 -39.9 24.7 16.3 -1.1 208 214 A R H X S+ 0 0 76 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.933 112.7 49.2 -54.7 -40.5 21.8 17.0 1.2 209 215 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.895 112.3 45.4 -59.3 -56.3 22.4 20.6 0.2 210 216 A F H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.834 108.3 59.1 -54.1 -38.0 22.5 19.9 -3.5 211 217 A R H < S+ 0 0 92 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.945 115.9 31.7 -64.6 -38.2 19.4 17.7 -3.3 212 218 A T H < S+ 0 0 21 -4,-1.5 28,-1.9 -5,-0.2 -2,-0.2 0.966 131.7 29.7 -84.3 -55.8 17.3 20.5 -1.9 213 219 A L H < S- 0 0 3 -4,-2.6 26,-0.3 26,-0.2 -3,-0.2 0.438 114.4 -98.5 -88.5 1.0 18.8 23.6 -3.6 214 220 A G < - 0 0 6 -4,-1.7 24,-0.2 24,-0.4 -3,-0.2 0.312 44.8 -74.7 90.3 128.4 20.1 22.1 -6.9 215 221 A T - 0 0 13 22,-1.6 24,-0.1 -5,-0.2 21,-0.0 -0.478 61.9-118.1 -46.5 119.6 23.7 21.1 -7.7 216 222 A P + 0 0 2 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.362 39.6 171.1 -70.4 151.7 25.4 24.4 -8.1 217 223 A D > - 0 0 65 -3,-0.0 4,-1.6 -2,-0.0 3,-0.2 -0.730 54.9 -80.0-140.3 178.5 27.1 25.3 -11.5 218 224 A E T 4 S+ 0 0 79 -2,-0.2 0, 0.0 1,-0.2 0, 0.0 0.663 123.6 67.5 -54.3 -22.1 28.7 28.4 -13.0 219 225 A V T 4 S+ 0 0 121 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 0.987 114.9 24.0 -58.3 -52.5 25.1 29.7 -13.7 220 226 A V T 4 S+ 0 0 60 1,-0.3 44,-0.5 -3,-0.2 -2,-0.2 0.736 137.9 23.4 -95.0 -13.0 24.3 30.1 -10.1 221 227 A W S >< S- 0 0 9 -4,-1.6 3,-1.5 42,-0.1 -1,-0.3 -0.781 74.8-147.2-159.2 87.2 27.7 30.5 -8.6 222 228 A P T 3 S+ 0 0 76 0, 0.0 -4,-0.1 0, 0.0 -3,-0.0 -0.517 87.4 25.7 -57.8 122.9 30.5 31.8 -10.8 223 229 A G T 3 S+ 0 0 38 -2,-0.3 3,-0.3 4,-0.0 4,-0.1 0.397 85.8 115.8 113.2 -4.5 33.8 30.3 -9.7 224 230 A V X + 0 0 0 -3,-1.5 3,-1.1 1,-0.2 6,-0.1 0.837 68.4 57.0 -74.2 -33.0 32.3 27.2 -8.1 225 231 A T T 3 S+ 0 0 63 1,-0.2 -1,-0.2 -4,-0.2 5,-0.1 0.751 106.0 55.3 -72.1 -14.3 33.8 24.5 -10.5 226 232 A S T 3 S+ 0 0 106 -3,-0.3 -1,-0.2 3,-0.1 -2,-0.2 0.383 80.1 118.8 -93.7 -2.2 37.3 25.9 -9.5 227 233 A M S X S- 0 0 25 -3,-1.1 3,-1.6 -4,-0.1 -57,-0.1 -0.466 78.1-110.4 -58.6 143.9 36.7 25.5 -5.8 228 234 A P T 3 S+ 0 0 82 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.723 112.6 29.8 -42.3 -46.5 39.3 23.1 -4.1 229 235 A D T 3 S+ 0 0 77 -60,-2.8 2,-0.3 2,-0.0 -59,-0.1 0.198 88.5 123.0-108.4 12.1 36.9 20.2 -3.3 230 236 A Y < - 0 0 25 -3,-1.6 3,-0.1 -61,-0.4 -5,-0.0 -0.585 44.4-163.4 -61.1 135.2 34.5 20.7 -6.2 231 237 A K > - 0 0 104 -2,-0.3 3,-2.5 1,-0.1 -5,-0.1 -0.983 26.0-143.9-124.8 132.3 34.3 17.6 -8.4 232 238 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.849 102.9 65.8 -46.8 -32.8 32.9 17.4 -11.9 233 239 A S T 3 + 0 0 102 -3,-0.1 3,-0.1 2,-0.0 -3,-0.0 0.376 69.2 126.4 -76.4 5.1 31.6 14.0 -10.9 234 240 A F S < S- 0 0 9 -3,-2.5 -19,-0.0 1,-0.1 -4,-0.0 -0.408 73.3-106.3 -63.1 134.4 29.1 15.5 -8.3 235 241 A P - 0 0 55 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.357 31.7-120.2 -59.7 151.4 25.7 14.1 -9.2 236 242 A K - 0 0 127 -3,-0.1 2,-0.2 -22,-0.1 -25,-0.0 -0.711 34.9-176.2 -98.9 93.2 23.4 16.8 -10.9 237 243 A W - 0 0 81 -2,-1.0 -22,-1.6 -21,-0.1 2,-0.3 -0.596 23.3-123.4 -96.8 153.7 20.3 17.4 -8.8 238 244 A A - 0 0 77 -24,-0.2 -24,-0.4 -2,-0.2 -1,-0.0 -0.730 34.5-103.5 -89.3 139.8 17.5 19.7 -9.9 239 245 A R - 0 0 115 -2,-0.3 2,-0.3 -26,-0.3 -26,-0.2 -0.147 33.4-137.1 -67.4 160.6 16.5 22.4 -7.5 240 246 A Q - 0 0 74 -28,-1.9 2,-0.5 -26,-0.0 -1,-0.1 -0.868 18.5-105.4-123.0 157.9 13.4 22.2 -5.3 241 247 A D >> - 0 0 122 -2,-0.3 3,-2.2 1,-0.1 4,-0.7 -0.697 20.2-140.5 -92.2 125.7 10.6 24.7 -4.5 242 248 A F H 3> S+ 0 0 18 -2,-0.5 4,-2.6 1,-0.3 -1,-0.1 0.483 97.4 77.0 -51.2 -20.5 10.8 26.1 -1.0 243 249 A S H 34 S+ 0 0 64 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.867 102.4 41.9 -68.7 -29.2 7.1 25.9 -0.7 244 250 A K H <4 S+ 0 0 118 -3,-2.2 -2,-0.2 2,-0.1 -1,-0.2 0.869 114.8 50.3 -76.2 -41.2 7.9 22.3 -0.1 245 251 A V H < S+ 0 0 28 -4,-0.7 -2,-0.2 1,-0.2 -3,-0.1 0.844 122.6 23.1 -63.9 -44.9 10.9 22.8 2.1 246 252 A V S >< S- 0 0 0 -4,-2.6 3,-3.0 3,-0.1 -1,-0.2 -0.231 83.4-173.0-127.4 55.7 9.5 25.3 4.7 247 253 A P T 3 + 0 0 70 0, 0.0 3,-0.1 0, 0.0 -4,-0.0 -0.624 69.9 29.1 -80.6 137.9 5.7 25.0 4.8 248 254 A P T 3 S+ 0 0 114 0, 0.0 -5,-0.1 0, 0.0 -4,-0.1 -0.727 84.4 118.7-111.0 38.8 4.1 26.8 6.3 249 255 A L < - 0 0 4 -3,-3.0 -3,-0.1 -6,-0.1 -61,-0.0 -0.380 65.2-119.1 -54.1 135.2 6.3 29.8 6.2 250 256 A D > - 0 0 64 1,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.190 34.1 -90.6 -65.0 170.5 4.5 32.7 4.4 251 257 A E H > S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.774 124.4 52.3 -53.6 -35.8 5.9 34.2 1.1 252 258 A D H > S+ 0 0 71 2,-0.2 4,-2.6 3,-0.2 27,-0.3 0.904 111.1 47.5 -72.7 -40.9 8.0 36.9 2.7 253 259 A G H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.909 113.1 47.6 -72.5 -34.4 9.7 34.4 5.0 254 260 A R H X S+ 0 0 53 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.884 111.4 52.0 -66.5 -40.3 10.4 32.0 2.1 255 261 A S H X S+ 0 0 37 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.927 112.6 44.4 -60.6 -46.9 11.7 34.9 0.0 256 262 A L H X S+ 0 0 0 -4,-2.6 4,-1.1 2,-0.2 3,-0.2 0.973 113.1 50.4 -65.9 -47.8 14.0 35.9 2.8 257 263 A L H >X S+ 0 0 1 -4,-3.1 3,-1.3 1,-0.2 4,-1.2 0.954 107.2 55.6 -48.8 -43.7 15.1 32.3 3.5 258 264 A S H >< S+ 0 0 26 -4,-3.0 3,-0.5 1,-0.3 -1,-0.2 0.906 109.2 47.6 -60.6 -35.4 15.8 31.8 -0.3 259 265 A Q H >< S+ 0 0 64 -4,-1.8 10,-2.2 1,-0.2 3,-0.6 0.712 107.7 52.7 -77.0 -25.6 18.1 34.8 -0.1 260 266 A M H << S+ 0 0 0 -3,-1.3 -76,-0.3 -4,-1.1 -1,-0.2 0.543 112.4 49.7 -82.2 -15.4 20.0 33.7 3.0 261 267 A L T << S+ 0 0 2 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.048 73.3 137.5-108.0 18.3 20.6 30.4 1.2 262 268 A H < - 0 0 66 -3,-0.6 6,-0.1 1,-0.1 -3,-0.0 -0.486 55.3-134.9 -61.4 140.8 21.9 31.8 -2.2 263 269 A Y S S+ 0 0 10 -2,-0.1 -97,-0.2 -50,-0.1 -1,-0.1 0.957 90.0 75.9 -66.5 -41.4 24.9 29.5 -3.2 264 270 A D S >> S- 0 0 20 -44,-0.5 3,-1.9 1,-0.2 4,-1.7 -0.491 73.6-152.9 -82.0 113.5 27.0 32.5 -4.1 265 271 A P T 34 S+ 0 0 25 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.805 95.6 61.4 -54.1 -27.5 28.2 34.2 -0.9 266 272 A N T 34 S+ 0 0 149 1,-0.2 -2,-0.1 -3,-0.0 -45,-0.0 0.707 110.3 36.2 -73.5 -24.3 28.3 37.4 -2.9 267 273 A K T <4 S+ 0 0 112 -3,-1.9 -1,-0.2 2,-0.1 3,-0.1 0.504 89.1 112.0 -93.3 -19.3 24.6 37.3 -3.7 268 274 A R S < S- 0 0 11 -4,-1.7 -8,-0.2 -6,-0.1 -9,-0.1 -0.394 82.6-101.7 -64.6 133.0 23.6 35.9 -0.3 269 275 A I - 0 0 19 -10,-2.2 2,-0.2 -13,-0.2 -1,-0.1 -0.134 34.9-126.1 -53.3 135.6 21.7 38.7 1.5 270 276 A S > - 0 0 57 -3,-0.1 4,-2.4 1,-0.1 5,-0.1 -0.510 21.1-111.2 -73.3 166.9 23.7 40.5 4.2 271 277 A A H > S+ 0 0 2 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.976 119.1 52.9 -61.9 -48.5 22.4 40.9 7.8 272 278 A K H >> S+ 0 0 144 1,-0.2 4,-0.9 2,-0.2 3,-0.7 0.909 112.3 44.0 -48.6 -56.9 21.9 44.6 7.3 273 279 A A H >4 S+ 0 0 48 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.881 109.1 58.6 -58.1 -30.5 19.8 44.0 4.2 274 280 A A H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.797 97.3 60.5 -67.1 -34.0 17.9 41.2 5.9 275 281 A L H << S+ 0 0 39 -4,-1.6 -1,-0.2 -3,-0.7 -2,-0.2 0.808 104.1 50.7 -71.2 -31.0 16.8 43.6 8.6 276 282 A A T << S+ 0 0 83 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.218 83.2 121.4 -77.6 5.0 15.0 45.7 6.0 277 283 A H S X S- 0 0 18 -3,-1.6 3,-2.3 1,-0.1 4,-0.2 -0.488 73.9-118.0 -82.2 149.5 13.1 42.7 4.4 278 284 A P G > S+ 0 0 55 0, 0.0 3,-2.1 0, 0.0 4,-0.4 0.750 106.0 76.4 -51.3 -16.3 9.3 42.8 4.4 279 285 A F G 3 S+ 0 0 0 1,-0.3 3,-0.3 -27,-0.3 -26,-0.1 0.729 97.3 48.6 -70.2 -25.6 9.0 39.7 6.6 280 286 A F G X S+ 0 0 9 -3,-2.3 3,-1.8 -6,-0.2 -1,-0.3 0.417 76.9 100.6 -93.9 -1.3 9.9 41.9 9.5 281 287 A Q T < S+ 0 0 165 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.889 95.9 35.0 -50.4 -37.3 7.5 44.8 8.8 282 288 A D T 3 S+ 0 0 101 -4,-0.4 -1,-0.3 -3,-0.3 2,-0.1 -0.048 85.1 145.7-108.0 37.9 5.3 43.3 11.5 283 289 A V < + 0 0 40 -3,-1.8 2,-0.3 -184,-0.1 -186,-0.1 -0.493 19.3 175.1 -88.1 144.8 7.9 42.0 14.0 284 290 A T - 0 0 82 -188,-0.4 -184,-0.1 -2,-0.1 -2,-0.0 -0.913 34.8-114.6-140.0 159.7 7.0 42.1 17.7 285 291 A K - 0 0 123 -2,-0.3 -188,-0.1 -185,-0.1 -151,-0.1 -0.746 37.3-172.4-103.4 86.7 8.9 40.8 20.8 286 292 A P - 0 0 36 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.252 28.1-107.7 -67.2 170.7 6.7 38.0 22.3 287 293 A V - 0 0 107 -154,-0.0 -155,-0.1 3,-0.0 -190,-0.1 -0.893 33.3-128.6 -94.1 129.0 7.5 36.4 25.7 288 294 A P - 0 0 9 0, 0.0 2,-1.2 0, 0.0 -154,-0.0 -0.320 19.9-114.6 -69.7 147.3 8.8 32.8 25.4 289 295 A H - 0 0 158 -205,-0.1 2,-0.4 2,-0.0 -158,-0.0 -0.788 45.1-171.7 -73.4 101.6 7.2 30.2 27.4 290 296 A L 0 0 51 -2,-1.2 -159,-0.0 -159,-0.1 -206,-0.0 -0.836 360.0 360.0-103.7 130.8 10.2 29.4 29.6 291 297 A R 0 0 264 -2,-0.4 -2,-0.0 0, 0.0 -204,-0.0 -0.687 360.0 360.0-113.6 360.0 10.2 26.4 32.0