==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-JAN-05 2BHH . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.SCHAEFER,R.JAUTELAT,T.BRUMBY,H.BRIEM,G.EISENBRAND, . 274 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13907.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 64.2 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 13.5 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 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 25.9 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 0 1 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 1 3 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 37 0, 0.0 3,-1.3 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 -32.8 -13.2 30.4 -3.9 2 2 A E T 3 + 0 0 142 1,-0.3 22,-0.0 3,-0.1 0, 0.0 0.382 360.0 74.9 -78.7 2.6 -12.9 30.2 -7.7 3 3 A N T 3 S+ 0 0 64 21,-0.1 21,-1.7 20,-0.1 22,-0.7 0.432 91.1 70.8 -91.3 -3.5 -10.4 33.0 -7.1 4 4 A F E < -A 23 0A 26 -3,-1.3 2,-0.4 19,-0.2 19,-0.2 -0.826 59.8-158.5-121.2 156.7 -7.9 30.5 -5.9 5 5 A Q E -A 22 0A 105 17,-1.1 17,-1.6 -2,-0.3 2,-0.4 -0.948 21.6-139.3-131.9 105.6 -5.7 27.7 -7.3 6 6 A K E -A 21 0A 86 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.541 19.3-177.8 -66.1 122.4 -4.6 25.2 -4.7 7 7 A V E - 0 0 62 13,-3.5 2,-0.2 -2,-0.4 14,-0.2 0.752 62.2 -35.4 -93.5 -26.6 -1.0 24.3 -5.6 8 8 A E E -A 20 0A 117 12,-1.3 12,-2.5 0, 0.0 2,-0.4 -0.827 61.4 -89.2 170.4 151.1 -0.6 21.7 -2.8 9 9 A K E +A 19 0A 113 10,-0.2 10,-0.3 -2,-0.2 3,-0.1 -0.573 34.9 177.1 -74.3 124.8 -1.5 20.6 0.7 10 10 A I E - 0 0 77 8,-2.3 2,-0.3 -2,-0.4 9,-0.2 0.405 54.0 -48.5-115.1 1.5 0.9 22.0 3.3 11 11 A G E -A 18 0A 26 7,-1.2 7,-2.3 2,-0.0 -1,-0.3 -0.938 47.6-114.0 161.6-172.7 -0.6 20.8 6.5 12 12 A E - 0 0 133 -2,-0.3 2,-0.2 5,-0.3 5,-0.2 -0.912 16.7-176.0-170.7-177.0 -3.5 20.3 8.9 13 13 A G - 0 0 38 3,-0.4 -2,-0.0 -2,-0.3 4,-0.0 -0.577 48.9 -70.6 177.7 154.4 -4.8 21.0 11.9 14 14 A T S S+ 0 0 75 -2,-0.2 3,-0.1 1,-0.1 21,-0.0 0.600 128.7 26.9 -79.7 -11.3 -7.5 20.6 14.5 15 15 A Y S S- 0 0 76 1,-0.3 2,-0.3 0, 0.0 -1,-0.1 0.715 124.3 -24.9-112.9 -36.5 -10.0 22.4 12.2 16 16 A G - 0 0 12 2,-0.0 2,-0.5 17,-0.0 -3,-0.4 -0.981 62.7 -78.0-175.2 165.2 -9.0 21.9 8.7 17 17 A V E - B 0 34A 28 17,-1.0 17,-1.3 -2,-0.3 2,-0.5 -0.808 39.7-143.7 -94.5 123.6 -6.4 21.2 5.9 18 18 A V E -AB 11 33A 29 -7,-2.3 -8,-2.3 -2,-0.5 -7,-1.2 -0.743 18.4-171.8 -90.9 127.9 -4.2 24.1 4.9 19 19 A Y E -AB 9 32A 65 13,-2.9 13,-3.2 -2,-0.5 2,-0.4 -0.766 23.6-125.9-114.5 160.0 -3.3 24.4 1.2 20 20 A K E +AB 8 31A 53 -12,-2.5 -13,-3.5 -2,-0.3 -12,-1.3 -0.896 41.9 168.8-101.2 135.2 -0.9 26.7 -0.5 21 21 A A E -AB 6 30A 0 9,-2.0 9,-3.2 -2,-0.4 2,-0.4 -0.983 32.0-133.2-155.1 142.8 -2.7 28.6 -3.3 22 22 A R E -AB 5 29A 136 -17,-1.6 -17,-1.1 -2,-0.3 2,-0.8 -0.776 32.7-113.8 -97.0 136.2 -2.1 31.5 -5.7 23 23 A N E > -A 4 0A 18 5,-2.4 4,-3.7 -2,-0.4 -19,-0.2 -0.559 21.4-148.5 -69.1 106.6 -4.8 34.1 -6.2 24 24 A K T 4 S+ 0 0 127 -21,-1.7 -1,-0.2 -2,-0.8 -20,-0.1 0.765 97.1 41.5 -46.7 -29.0 -5.8 33.5 -9.8 25 25 A L T 4 S+ 0 0 136 -22,-0.7 -1,-0.2 3,-0.1 -21,-0.1 0.955 129.7 20.8 -85.3 -58.7 -6.6 37.2 -10.0 26 26 A T T 4 S- 0 0 77 -23,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.443 90.1-127.5 -91.5 -5.5 -3.7 38.8 -8.1 27 27 A G < + 0 0 20 -4,-3.7 2,-0.2 1,-0.2 -3,-0.1 0.328 57.2 153.6 72.2 -11.0 -1.1 36.1 -8.2 28 28 A E - 0 0 98 -5,-0.2 -5,-2.4 -6,-0.2 2,-0.4 -0.309 41.7-137.5 -54.3 113.5 -0.9 36.6 -4.4 29 29 A V E +B 22 0A 52 -7,-0.3 45,-0.6 -2,-0.2 -7,-0.3 -0.652 34.0 171.9 -78.8 131.4 0.3 33.3 -2.9 30 30 A V E -BC 21 73A 0 -9,-3.2 -9,-2.0 -2,-0.4 2,-0.7 -0.729 40.8-109.4-131.4 178.6 -1.7 32.4 0.2 31 31 A A E -BC 20 72A 11 41,-2.6 41,-2.4 -2,-0.2 2,-0.9 -0.959 36.0-157.0-114.7 105.6 -2.3 29.7 2.8 32 32 A L E -BC 19 71A 2 -13,-3.2 -13,-2.9 -2,-0.7 2,-0.4 -0.769 8.6-168.8 -92.5 104.1 -5.8 28.4 2.1 33 33 A K E -BC 18 70A 11 37,-1.7 37,-1.9 -2,-0.9 2,-0.6 -0.723 9.8-158.8 -93.3 137.5 -7.4 26.7 5.1 34 34 A K E BC 17 69A 64 -17,-1.3 -17,-1.0 -2,-0.4 35,-0.2 -0.929 360.0 360.0-115.8 103.1 -10.6 24.7 4.7 35 35 A I 0 0 67 33,-1.9 -1,-0.1 -2,-0.6 34,-0.1 0.725 360.0 360.0 -65.9 360.0 -12.3 24.5 8.1 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 45 A P 0 0 130 0, 0.0 3,-0.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 90.7 -22.5 29.3 13.8 38 46 A S >> + 0 0 67 1,-0.2 4,-2.1 2,-0.2 3,-1.1 0.845 360.0 50.8 -56.8 -38.5 -23.1 33.0 13.4 39 47 A T H 3> S+ 0 0 93 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.850 101.3 61.8 -69.5 -33.7 -20.7 33.8 16.3 40 48 A A H 34 S+ 0 0 45 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.253 111.7 40.5 -75.9 12.2 -18.0 31.6 14.8 41 49 A I H <> S+ 0 0 44 -3,-1.1 4,-1.4 3,-0.1 -2,-0.2 0.542 113.5 49.8-123.1 -42.9 -18.1 34.0 11.8 42 50 A R H X S+ 0 0 158 -4,-2.1 4,-1.2 2,-0.2 3,-0.4 0.959 114.9 46.3 -63.2 -47.9 -18.4 37.3 13.7 43 51 A E H X S+ 0 0 94 -4,-2.8 4,-1.2 1,-0.2 3,-0.3 0.896 113.0 47.1 -62.0 -45.4 -15.5 36.3 15.9 44 52 A I H 4 S+ 0 0 9 -5,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.708 110.0 54.1 -72.4 -18.9 -13.2 35.2 13.2 45 53 A S H < S+ 0 0 36 -4,-1.4 4,-0.4 -3,-0.4 3,-0.3 0.714 99.9 61.6 -84.7 -23.0 -14.0 38.3 11.1 46 54 A L H >< S+ 0 0 95 -4,-1.2 3,-2.4 -3,-0.3 4,-0.4 0.931 96.8 58.8 -65.5 -44.8 -13.0 40.5 14.1 47 55 A L G >< S+ 0 0 25 -4,-1.2 3,-1.5 1,-0.3 11,-0.3 0.760 89.5 73.7 -55.1 -26.3 -9.5 39.0 13.9 48 56 A K G 3 S+ 0 0 56 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.2 0.843 99.0 45.8 -58.9 -30.3 -9.4 40.4 10.3 49 57 A E G < S+ 0 0 152 -3,-2.4 2,-1.6 -4,-0.4 -1,-0.3 0.510 90.0 92.1 -89.1 -7.4 -9.0 43.8 11.9 50 58 A L < + 0 0 13 -3,-1.5 2,-0.5 -4,-0.4 8,-0.2 -0.616 58.8 165.4 -88.3 76.7 -6.4 42.5 14.3 51 59 A N + 0 0 75 -2,-1.6 5,-0.1 6,-0.1 6,-0.1 -0.857 5.3 148.0-104.1 129.5 -3.3 43.3 12.2 52 60 A H > - 0 0 39 -2,-0.5 3,-2.0 3,-0.4 54,-0.1 -0.963 54.7-113.5-153.1 145.7 0.2 43.3 13.6 53 61 A P T 3 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 80,-0.1 0.725 117.1 50.0 -51.8 -29.1 3.6 42.5 11.9 54 62 A N T 3 S+ 0 0 9 48,-0.1 81,-2.4 80,-0.1 2,-0.4 0.112 96.3 79.9-103.8 21.4 3.9 39.5 14.2 55 63 A I B < S-e 135 0B 9 -3,-2.0 -3,-0.4 79,-0.3 81,-0.2 -0.998 89.3-113.9-127.1 126.0 0.5 38.0 13.6 56 64 A V - 0 0 8 79,-1.5 2,-0.4 -2,-0.4 -2,-0.1 -0.338 45.1-106.1 -56.6 141.3 -0.0 36.0 10.4 57 65 A K - 0 0 96 -4,-0.1 16,-2.5 -6,-0.1 2,-1.3 -0.639 16.9-148.2 -82.3 127.1 -2.4 38.0 8.4 58 66 A L E -D 72 0A 14 -2,-0.4 14,-0.2 -11,-0.3 3,-0.1 -0.812 22.5-179.8 -89.1 91.2 -6.0 36.9 8.1 59 67 A L E - 0 0 29 -2,-1.3 2,-0.3 12,-1.2 -1,-0.2 0.955 57.6 -26.8 -58.5 -52.7 -6.4 38.2 4.5 60 68 A D E -D 71 0A 87 11,-2.1 11,-1.1 -3,-0.2 2,-0.4 -0.936 48.5-129.0-156.7 175.7 -10.0 37.1 4.2 61 69 A V E -D 70 0A 25 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.999 17.6-166.7-134.8 128.9 -12.7 34.6 5.3 62 70 A I E -D 69 0A 37 7,-3.6 2,-1.4 -2,-0.4 7,-0.6 -0.759 7.1-179.4-125.9 88.6 -14.8 32.8 2.7 63 71 A H E +D 68 0A 98 -2,-0.5 2,-0.5 5,-0.2 5,-0.2 -0.681 23.1 163.7 -85.8 89.4 -17.9 31.1 4.0 64 72 A T E > -D 67 0A 51 3,-2.4 3,-2.2 -2,-1.4 -2,-0.1 -0.950 61.2 -15.4-118.1 129.2 -19.3 29.5 0.8 65 73 A E T 3 S- 0 0 179 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.898 125.5 -55.8 50.5 47.9 -21.9 26.8 0.6 66 74 A N T 3 S+ 0 0 150 1,-0.2 2,-0.5 -3,-0.2 -1,-0.3 0.525 116.5 118.6 64.5 6.4 -21.5 25.9 4.3 67 75 A K E < - D 0 64A 79 -3,-2.2 -3,-2.4 -32,-0.0 2,-0.4 -0.913 56.1-147.2-104.7 123.1 -17.7 25.4 3.5 68 76 A L E - D 0 63A 29 -2,-0.5 -33,-1.9 -5,-0.2 2,-0.4 -0.766 15.5-175.7 -97.3 133.7 -15.5 27.8 5.5 69 77 A Y E -CD 34 62A 28 -7,-0.6 -7,-3.6 -2,-0.4 2,-0.7 -0.993 12.8-159.7-129.7 131.3 -12.2 29.1 4.1 70 78 A L E -CD 33 61A 11 -37,-1.9 -37,-1.7 -2,-0.4 2,-0.9 -0.886 10.6-154.5-113.2 99.3 -9.6 31.2 5.8 71 79 A V E +CD 32 60A 3 -11,-1.1 -11,-2.1 -2,-0.7 -12,-1.2 -0.643 25.2 179.8 -75.7 105.6 -7.4 33.0 3.3 72 80 A F E -CD 31 58A 27 -41,-2.4 -41,-2.6 -2,-0.9 -14,-0.2 -0.736 34.8 -97.1-107.2 159.8 -4.2 33.6 5.3 73 81 A E E -C 30 0A 41 -16,-2.5 2,-0.5 -2,-0.3 -43,-0.2 -0.334 48.2-115.1 -68.2 154.1 -1.0 35.2 4.3 74 82 A F + 0 0 35 -45,-0.6 2,-0.4 -44,-0.1 -1,-0.1 -0.868 32.6 178.6-105.0 125.2 1.6 32.6 3.3 75 83 A L - 0 0 14 -2,-0.5 53,-0.1 1,-0.1 52,-0.0 -0.954 26.0-137.5-118.0 139.5 4.8 32.0 5.3 76 84 A H S S+ 0 0 101 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.785 76.3 30.5 -70.3 -31.2 7.2 29.2 4.0 77 85 A Q E -F 127 0B 23 50,-1.6 50,-2.6 4,-0.0 2,-0.2 -0.938 61.8-142.2-136.4 152.6 8.2 27.5 7.3 78 86 A D E > -F 126 0B 41 -2,-0.3 4,-1.4 48,-0.3 48,-0.2 -0.695 29.5-116.3-103.7 163.7 6.8 26.7 10.8 79 87 A L H > S+ 0 0 1 46,-2.5 4,-3.8 43,-1.3 5,-0.3 0.890 110.6 58.1 -67.0 -40.3 8.8 26.8 14.0 80 88 A K H > S+ 0 0 37 42,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.928 111.3 41.0 -56.5 -47.8 8.4 23.0 14.7 81 89 A K H > S+ 0 0 117 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.812 115.7 53.2 -70.7 -27.1 10.0 22.0 11.4 82 90 A F H < S+ 0 0 15 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.923 110.1 45.6 -71.3 -45.8 12.5 24.8 12.0 83 91 A M H >X S+ 0 0 16 -4,-3.8 3,-0.9 1,-0.2 4,-0.6 0.830 113.6 51.2 -64.5 -33.7 13.4 23.4 15.4 84 92 A D H >< S+ 0 0 106 -4,-1.9 3,-1.1 -5,-0.3 4,-0.3 0.934 106.4 52.9 -68.1 -44.2 13.5 20.0 13.9 85 93 A A T 3< S+ 0 0 65 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.400 116.2 42.9 -70.5 4.7 15.8 21.2 11.2 86 94 A S T X> S+ 0 0 13 -3,-0.9 4,-4.9 2,-0.1 3,-1.2 0.405 74.4 110.0-128.4 -3.7 18.0 22.5 14.0 87 95 A A T << S+ 0 0 51 -3,-1.1 -2,-0.1 -4,-0.6 -3,-0.1 0.780 82.3 51.9 -44.3 -33.6 18.0 19.7 16.6 88 96 A L T 34 S+ 0 0 174 -4,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.820 131.8 10.5 -75.6 -35.7 21.6 19.0 15.8 89 97 A T T <4 S- 0 0 113 -3,-1.2 -2,-0.2 -4,-0.1 -1,-0.1 0.681 100.1-134.0-111.3 -31.5 22.9 22.5 16.3 90 98 A G < - 0 0 8 -4,-4.9 -3,-0.1 -7,-0.2 85,-0.1 0.176 36.2 -65.1 80.2 149.7 19.9 24.3 17.9 91 99 A I - 0 0 9 83,-0.5 5,-0.1 1,-0.1 86,-0.0 -0.541 65.2-103.5 -68.4 129.4 18.5 27.7 16.9 92 100 A P > - 0 0 80 0, 0.0 4,-2.5 0, 0.0 3,-0.4 -0.140 27.9-116.3 -52.8 146.8 21.2 30.4 17.7 93 101 A L H > S+ 0 0 68 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.856 112.8 54.9 -56.7 -39.9 20.5 32.4 20.9 94 102 A P H > S+ 0 0 66 0, 0.0 4,-2.9 0, 0.0 174,-0.3 0.890 111.4 45.2 -63.5 -35.5 20.1 35.7 19.1 95 103 A L H > S+ 0 0 6 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.905 113.3 50.5 -72.2 -38.5 17.4 34.2 16.9 96 104 A I H X S+ 0 0 6 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.966 114.2 44.9 -61.6 -49.1 15.8 32.6 19.9 97 105 A K H X S+ 0 0 11 -4,-3.6 4,-2.8 2,-0.2 -2,-0.2 0.956 113.9 48.9 -58.4 -52.2 15.8 35.9 21.7 98 106 A S H X S+ 0 0 4 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.949 112.3 48.5 -50.8 -58.9 14.5 37.8 18.6 99 107 A Y H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.4 0.928 111.5 48.0 -47.9 -57.0 11.7 35.3 18.1 100 108 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.923 113.1 51.0 -53.3 -42.7 10.6 35.4 21.7 101 109 A F H X S+ 0 0 44 -4,-2.8 4,-1.0 -5,-0.2 -1,-0.2 0.879 112.1 44.8 -62.7 -41.7 10.7 39.2 21.5 102 110 A Q H >X S+ 0 0 10 -4,-2.5 4,-2.9 2,-0.2 3,-0.7 0.948 113.5 48.7 -68.5 -50.3 8.6 39.4 18.3 103 111 A L H 3X S+ 0 0 1 -4,-2.9 4,-3.7 1,-0.3 5,-0.2 0.888 110.1 53.3 -56.6 -40.6 6.0 36.8 19.5 104 112 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.4 -1,-0.3 0.777 108.7 49.4 -65.9 -28.4 5.8 38.8 22.7 105 113 A Q H <>S+ 0 0 0 -4,-2.3 5,-2.0 2,-0.2 3,-0.6 0.933 114.8 50.9 -66.4 -49.7 -3.5 40.9 20.9 111 119 A H H ><5S+ 0 0 27 -4,-3.8 3,-1.7 1,-0.3 -2,-0.2 0.840 104.8 57.1 -57.7 -35.4 -3.6 40.9 24.7 112 120 A S H 3<5S+ 0 0 75 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.840 108.6 48.5 -66.6 -27.9 -4.0 44.7 24.6 113 121 A H T <<5S- 0 0 105 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.236 120.2-111.6 -94.0 12.5 -7.1 44.0 22.4 114 122 A R T < 5S+ 0 0 226 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.876 74.9 132.5 60.9 39.0 -8.4 41.4 24.8 115 123 A V < - 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0 0 27 -3,-2.4 3,-0.1 -61,-0.5 -5,-0.0 -0.430 45.6-155.1 -66.8 137.1 -7.5 20.2 41.8 215 237 A K > - 0 0 103 -2,-0.1 3,-2.1 1,-0.1 -2,-0.1 -0.959 18.7-153.8-120.5 120.0 -6.9 17.0 43.8 216 238 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.764 99.7 64.7 -58.8 -20.4 -5.9 17.1 47.5 217 239 A S T 3 S+ 0 0 97 -3,-0.1 3,-0.1 2,-0.0 -3,-0.0 0.251 70.9 129.4 -85.6 6.2 -4.5 13.7 46.6 218 240 A F < - 0 0 14 -3,-2.1 -19,-0.0 1,-0.1 -4,-0.0 -0.443 69.1-106.4 -63.6 136.0 -1.9 15.0 44.2 219 241 A P - 0 0 57 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.239 33.3-118.8 -58.8 153.5 1.6 13.7 44.9 220 242 A K - 0 0 163 -3,-0.1 2,-0.3 -22,-0.1 -25,-0.0 -0.787 36.5-179.1-102.7 92.1 3.8 16.3 46.4 221 243 A W - 0 0 76 -2,-0.9 -22,-2.1 -21,-0.1 2,-0.3 -0.710 23.1-128.6 -90.1 140.8 6.8 16.9 44.2 222 244 A A - 0 0 74 -2,-0.3 -24,-0.4 -24,-0.2 -1,-0.0 -0.646 30.4-103.9 -87.8 144.0 9.4 19.5 45.1 223 245 A R - 0 0 100 -26,-0.4 2,-0.3 -2,-0.3 -26,-0.2 -0.002 30.7-143.3 -59.1 167.5 10.4 22.1 42.6 224 246 A Q - 0 0 87 -28,-1.5 -1,-0.1 -26,-0.1 5,-0.0 -0.964 26.1 -95.4-133.4 150.3 13.7 21.9 40.7 225 247 A D >> - 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0 0 57 -3,-0.5 6,-0.1 1,-0.1 -81,-0.1 -0.571 52.4-139.6 -75.7 132.4 4.6 31.0 37.4 247 269 A Y S S+ 0 0 8 -2,-0.3 -97,-0.1 -50,-0.1 -1,-0.1 0.936 87.7 76.2 -55.2 -51.9 1.7 28.9 38.6 248 270 A D S >> S- 0 0 17 -44,-0.5 4,-1.2 1,-0.2 3,-1.0 -0.525 72.6-155.5 -68.7 110.0 -0.2 31.9 39.8 249 271 A P T 34 S+ 0 0 26 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.815 91.9 56.8 -54.1 -37.9 -1.6 33.4 36.6 250 272 A N T 34 S+ 0 0 123 1,-0.2 4,-0.1 -3,-0.0 -2,-0.1 0.829 112.0 40.4 -66.2 -34.8 -1.9 36.8 38.2 251 273 A K T <4 S+ 0 0 118 -3,-1.0 -1,-0.2 2,-0.1 2,-0.1 0.582 88.6 111.8 -89.6 -10.7 1.8 36.9 39.1 252 274 A R S < S- 0 0 11 -4,-1.2 -8,-0.2 -6,-0.1 -9,-0.1 -0.446 82.5-105.8 -62.4 129.4 2.7 35.3 35.7 253 275 A I - 0 0 22 -10,-2.2 2,-0.1 -13,-0.2 -1,-0.1 -0.251 33.3-122.7 -60.2 145.0 4.6 38.1 33.9 254 276 A S > - 0 0 58 1,-0.1 4,-2.3 -3,-0.1 -1,-0.1 -0.393 16.7-117.2 -82.4 167.7 2.7 39.9 31.1 255 277 A A H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.950 117.1 52.6 -69.4 -47.3 3.9 40.1 27.5 256 278 A K H 4 S+ 0 0 137 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.912 114.1 42.8 -52.8 -46.5 4.1 43.9 27.8 257 279 A A H >4 S+ 0 0 44 1,-0.2 3,-1.7 2,-0.2 -1,-0.2 0.907 109.6 58.3 -68.4 -39.4 6.2 43.5 30.9 258 280 A A H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.3 6,-0.3 0.857 95.4 62.9 -59.3 -38.0 8.2 40.7 29.4 259 281 A L T 3< S+ 0 0 37 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.717 103.4 52.0 -60.9 -19.0 9.3 43.0 26.5 260 282 A A T < S+ 0 0 84 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.114 80.2 124.2-104.1 20.3 11.0 45.1 29.1 261 283 A H S X S- 0 0 18 -3,-2.0 3,-2.2 1,-0.1 4,-0.2 -0.608 74.4-118.1 -82.1 138.6 13.0 42.3 30.8 262 284 A P G > S+ 0 0 75 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.784 111.1 74.1 -44.5 -29.4 16.8 42.9 31.0 263 285 A F G > S+ 0 0 2 -27,-0.3 3,-0.6 1,-0.3 -26,-0.1 0.896 92.0 52.7 -52.8 -42.5 17.0 39.7 28.8 264 286 A F G X S+ 0 0 11 -3,-2.2 3,-1.3 -6,-0.3 -1,-0.3 0.314 80.1 102.8 -80.4 13.8 15.8 41.7 25.8 265 287 A Q G < S+ 0 0 165 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.958 88.1 34.7 -59.3 -55.0 18.5 44.3 26.3 266 288 A D G < S+ 0 0 106 -3,-0.6 -1,-0.3 -4,-0.3 2,-0.1 -0.024 87.8 150.5 -92.4 31.6 20.7 43.0 23.6 267 289 A V < + 0 0 45 -3,-1.3 2,-0.2 -170,-0.1 -172,-0.1 -0.417 15.2 168.2 -67.9 137.7 17.9 42.0 21.3 268 290 A T - 0 0 85 -174,-0.3 -2,-0.0 -2,-0.1 -1,-0.0 -0.733 40.0-111.4-134.5-177.4 18.5 42.1 17.5 269 291 A K + 0 0 121 -2,-0.2 2,-0.1 -171,-0.1 -174,-0.1 -0.712 41.1 174.7-123.4 76.8 16.8 40.9 14.4 270 292 A P - 0 0 36 0, 0.0 -2,-0.0 0, 0.0 -140,-0.0 -0.456 27.3-123.7 -78.5 157.5 18.9 38.1 13.0 271 293 A V - 0 0 97 -2,-0.1 -141,-0.1 1,-0.1 -142,-0.1 -0.784 18.8-127.8-104.0 145.4 17.7 36.1 10.0 272 294 A P - 0 0 13 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.276 20.4-116.1 -80.3 175.9 17.4 32.3 10.0 273 295 A H - 0 0 153 -2,-0.1 2,-0.2 -142,-0.0 -144,-0.1 -0.830 39.9-162.5-114.5 86.5 18.9 30.1 7.3 274 296 A L - 0 0 26 -2,-0.7 2,-0.8 -145,-0.1 -192,-0.0 -0.489 17.9-150.3 -78.5 139.8 15.7 28.6 5.7 275 297 A R 0 0 177 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 -0.866 360.0 360.0-107.3 91.2 15.8 25.5 3.6 276 298 A L 0 0 139 -2,-0.8 -1,-0.2 -199,-0.0 -2,-0.0 0.852 360.0 360.0 -97.2 360.0 12.8 26.1 1.2