==== 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 02-MAY-06 2CLX . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.KRYSTOF,P.CANKAR,I.FRYSOVA,J.SLOUKA,G.KONTOPIDIS,P.DZUBAK, . 293 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14226.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 63.5 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 . 42 14.3 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 . 21 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 25.6 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 3 1 0 1 0 1 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 . 1 1 1 0 1 0 3 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 45 0, 0.0 2,-2.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 166.1 13.8 30.6 -2.6 2 2 A E + 0 0 148 2,-0.3 22,-0.0 1,-0.2 0, 0.0 -0.236 360.0 66.2 67.6 -51.4 13.6 30.7 -6.4 3 3 A N S S+ 0 0 91 -2,-2.1 21,-3.8 20,-0.1 22,-0.5 0.455 92.2 75.7 -82.6 -3.6 16.1 33.5 -6.4 4 4 A F E -A 23 0A 14 19,-0.3 2,-0.7 20,-0.1 -2,-0.3 -0.949 62.2-152.9-123.0 122.2 18.9 31.2 -5.0 5 5 A Q E -A 22 0A 96 17,-3.0 17,-3.1 -2,-0.5 2,-0.3 -0.843 25.1-137.5 -80.4 113.4 21.1 28.6 -6.7 6 6 A K E +A 21 0A 69 -2,-0.7 15,-0.3 15,-0.3 3,-0.1 -0.541 26.1 176.0 -69.6 129.6 22.1 26.1 -4.0 7 7 A V E - 0 0 60 13,-3.4 2,-0.3 1,-0.4 14,-0.2 0.714 58.2 -23.1-114.3 -29.4 25.8 25.2 -4.5 8 8 A E E -A 20 0A 105 12,-1.9 12,-3.1 0, 0.0 -1,-0.4 -0.914 60.3-101.8-170.9 159.8 26.5 23.0 -1.5 9 9 A K E +A 19 0A 85 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.622 35.8 166.8 -82.2 141.0 25.5 22.0 1.9 10 10 A I E + 0 0 52 8,-3.0 2,-0.3 1,-0.3 9,-0.2 0.270 59.4 10.9-132.1 5.3 27.7 23.5 4.6 11 11 A G E -A 18 0A 22 7,-1.2 7,-2.5 2,-0.0 -1,-0.3 -0.980 37.9-157.3 175.7 149.9 25.7 22.9 7.7 12 12 A E E -A 17 0A 79 -2,-0.3 5,-0.2 5,-0.3 144,-0.1 -0.642 32.6-175.8-147.6 76.1 22.8 21.2 9.5 13 13 A G - 0 0 22 3,-1.4 142,-0.3 -2,-0.1 -2,-0.0 0.108 48.5 -84.3 -63.2-170.9 22.2 23.5 12.5 14 14 A T S S+ 0 0 8 1,-0.2 141,-1.5 140,-0.2 143,-0.1 0.841 128.6 42.9 -67.4 -29.2 19.5 22.4 15.0 15 15 A Y S S- 0 0 13 1,-0.2 21,-1.7 139,-0.2 2,-0.3 0.665 122.9 -51.7 -98.2 -20.7 16.7 24.0 13.0 16 16 A G E S- B 0 35A 1 19,-0.2 -3,-1.4 17,-0.0 -1,-0.2 -0.989 71.4 -39.1 170.7-171.0 17.6 22.9 9.5 17 17 A V E -AB 12 34A 19 17,-0.5 17,-2.4 -2,-0.3 2,-0.5 -0.476 41.1-150.1 -77.3 139.8 20.0 22.6 6.6 18 18 A V E -AB 11 33A 25 -7,-2.5 -8,-3.0 15,-0.2 -7,-1.2 -0.966 18.3-172.8-103.6 128.4 22.5 25.4 5.8 19 19 A Y E -AB 9 32A 51 13,-2.4 13,-3.2 -2,-0.5 2,-0.4 -0.967 28.9-126.3-118.7 140.3 23.5 25.7 2.1 20 20 A K E +AB 8 31A 49 -12,-3.1 -13,-3.4 -2,-0.4 -12,-1.9 -0.734 47.7 175.1 -70.8 131.6 26.0 27.8 0.4 21 21 A A E -AB 6 30A 0 9,-2.4 9,-2.7 -2,-0.4 2,-0.4 -0.951 30.3-133.7-144.1 152.3 23.9 29.5 -2.3 22 22 A R E -AB 5 29A 118 -17,-3.1 -17,-3.0 -2,-0.3 2,-0.6 -0.940 24.1-124.9-111.0 130.6 24.2 32.1 -5.0 23 23 A N E > -A 4 0A 20 5,-3.1 4,-1.9 -2,-0.4 -19,-0.3 -0.691 15.4-145.9 -74.4 120.6 21.6 34.8 -5.5 24 24 A K T 4 S+ 0 0 130 -21,-3.8 -1,-0.1 -2,-0.6 -20,-0.1 0.749 93.9 32.9 -70.6 -29.8 20.4 34.6 -9.1 25 25 A L T 4 S+ 0 0 144 -22,-0.5 2,-0.5 3,-0.1 -2,-0.0 0.706 121.1 37.6 -72.9 -99.0 20.1 38.3 -9.2 26 26 A T T 4 S- 0 0 86 1,-0.2 -2,-0.2 -4,-0.0 3,-0.1 0.369 91.9-126.9 -47.5 -16.0 22.6 40.1 -7.1 27 27 A G < + 0 0 44 -4,-1.9 -1,-0.2 -2,-0.5 -3,-0.1 -0.099 62.5 142.9 95.2 -27.4 25.6 37.8 -7.8 28 28 A E - 0 0 77 -6,-0.2 -5,-3.1 1,-0.1 2,-0.4 0.040 47.3-140.6 -73.4 141.4 26.0 37.4 -4.1 29 29 A V E +B 22 0A 60 -7,-0.2 49,-0.6 -3,-0.1 2,-0.3 -0.843 34.1 163.8 -99.6 130.5 27.0 34.2 -2.3 30 30 A V E -BC 21 77A 0 -9,-2.7 -9,-2.4 -2,-0.4 2,-0.6 -0.894 43.3-107.7-134.8 168.0 25.2 33.6 0.9 31 31 A A E -BC 20 76A 10 45,-2.9 45,-3.4 -2,-0.3 2,-0.6 -0.966 35.0-160.0-105.3 125.4 24.4 30.9 3.5 32 32 A L E -BC 19 75A 2 -13,-3.2 -13,-2.4 -2,-0.6 2,-0.5 -0.901 3.2-163.4-111.6 113.3 20.8 30.0 3.1 33 33 A K E -BC 18 74A 2 41,-3.2 41,-2.3 -2,-0.6 2,-0.7 -0.893 4.8-157.0-103.7 123.2 19.2 28.2 6.1 34 34 A K E -BC 17 73A 79 -17,-2.4 2,-0.5 -2,-0.5 -17,-0.5 -0.930 12.2-153.0-104.0 108.5 16.0 26.5 5.3 35 35 A I E -BC 16 72A 6 37,-3.5 37,-1.1 -2,-0.7 2,-0.6 -0.849 16.9-123.2 -95.3 123.3 14.1 26.2 8.6 36 36 A R E C 0 71A 98 -21,-1.7 35,-0.1 -2,-0.5 37,-0.0 -0.545 360.0 360.0 -77.6 107.6 11.8 23.2 8.8 37 37 A L 0 0 111 33,-1.2 -2,-0.1 -2,-0.6 -1,-0.0 0.113 360.0 360.0 150.4 360.0 8.2 24.3 9.5 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 43 A G 0 0 75 0, 0.0 31,-0.1 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 -98.8 2.6 27.5 8.5 40 44 A V - 0 0 20 29,-0.1 2,-0.2 31,-0.1 5,-0.1 -0.982 360.0-112.1-109.4 130.1 5.2 29.5 10.4 41 45 A P >> - 0 0 68 0, 0.0 4,-1.6 0, 0.0 3,-1.1 -0.385 21.7-136.3 -67.2 131.6 4.3 30.7 13.9 42 46 A S H 3> S+ 0 0 58 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.713 98.1 59.5 -64.3 -34.5 4.0 34.4 13.9 43 47 A T H 3> S+ 0 0 84 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.895 108.3 47.6 -62.1 -35.4 5.9 35.1 17.2 44 48 A A H <> S+ 0 0 2 -3,-1.1 4,-3.0 2,-0.2 5,-0.2 0.908 111.5 49.9 -73.8 -41.2 8.9 33.5 15.6 45 49 A I H X S+ 0 0 38 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.946 113.7 46.0 -56.1 -48.0 8.5 35.5 12.5 46 50 A R H X S+ 0 0 150 -4,-3.1 4,-1.3 1,-0.2 -2,-0.2 0.892 115.5 46.9 -65.8 -36.0 8.2 38.7 14.6 47 51 A E H X S+ 0 0 62 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.890 110.5 50.5 -72.1 -46.1 11.2 37.6 16.6 48 52 A I H < S+ 0 0 0 -4,-3.0 4,-0.5 1,-0.2 3,-0.3 0.869 106.3 56.5 -60.7 -36.7 13.4 36.7 13.7 49 53 A S H >< S+ 0 0 37 -4,-2.0 3,-1.5 1,-0.3 4,-0.3 0.870 97.4 61.3 -69.6 -34.0 12.7 40.1 12.0 50 54 A L H >< S+ 0 0 129 -4,-1.3 3,-1.8 1,-0.3 4,-0.3 0.904 96.9 63.7 -52.5 -41.0 13.9 41.9 15.1 51 55 A L G >< S+ 0 0 20 -4,-1.1 3,-1.4 -3,-0.3 11,-0.3 0.751 83.0 75.1 -59.7 -21.8 17.2 40.2 14.3 52 56 A K G < S+ 0 0 59 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.690 100.6 43.6 -68.1 -18.3 17.5 42.0 10.9 53 57 A E G < S+ 0 0 139 -3,-1.8 2,-1.7 -4,-0.3 -1,-0.3 0.504 86.2 94.1-101.2 -3.5 18.5 45.2 12.8 54 58 A L < + 0 0 17 -3,-1.4 2,-0.4 -4,-0.3 8,-0.2 -0.624 59.3 163.7 -93.0 76.8 20.9 43.6 15.3 55 59 A N + 0 0 67 -2,-1.7 5,-0.1 6,-0.1 6,-0.1 -0.865 8.6 149.6-105.9 133.8 24.0 44.2 13.2 56 60 A H > - 0 0 43 -2,-0.4 3,-2.0 3,-0.4 54,-0.1 -0.963 53.8-115.0-156.0 146.2 27.6 44.1 14.5 57 61 A P T 3 S+ 0 0 88 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.757 118.9 50.8 -63.7 -17.6 30.9 43.2 12.7 58 62 A N T 3 S+ 0 0 10 80,-0.1 81,-2.4 48,-0.1 2,-0.4 0.133 96.9 78.6-101.5 17.3 31.1 40.2 15.1 59 63 A I B < S-e 139 0B 10 -3,-2.0 -3,-0.4 79,-0.3 81,-0.2 -0.996 93.2-109.8-122.3 130.0 27.6 38.9 14.4 60 64 A V - 0 0 9 79,-2.9 2,-0.3 -2,-0.4 82,-0.1 -0.414 45.9-109.8 -63.0 122.4 27.0 37.0 11.2 61 65 A K - 0 0 88 -2,-0.1 16,-2.4 -4,-0.1 2,-0.9 -0.483 18.9-142.8 -67.2 127.8 24.9 39.4 9.1 62 66 A L E -D 76 0A 12 -2,-0.3 14,-0.2 -11,-0.3 3,-0.1 -0.787 22.1-178.6 -84.2 107.3 21.3 38.4 8.6 63 67 A L E - 0 0 41 12,-2.1 2,-0.3 -2,-0.9 13,-0.2 0.892 56.9 -16.1 -76.8 -45.9 20.7 39.6 5.0 64 68 A D E -D 75 0A 88 11,-1.6 11,-3.1 2,-0.0 2,-0.4 -0.988 47.0-140.3-160.4 159.5 17.0 38.6 4.6 65 69 A V E -D 74 0A 28 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.975 20.5-167.4-125.6 124.3 14.2 36.6 6.0 66 70 A I E -D 73 0A 38 7,-2.8 7,-2.3 -2,-0.4 2,-0.6 -0.965 4.5-174.9-120.5 109.4 11.9 34.9 3.4 67 71 A H E +D 72 0A 88 -2,-0.5 5,-0.2 5,-0.2 3,-0.1 -0.953 22.7 142.6-103.0 127.9 8.7 33.5 4.6 68 72 A T - 0 0 84 3,-2.2 -1,-0.1 -2,-0.6 4,-0.1 0.703 65.3 -25.7-128.9 -66.4 6.7 31.6 1.8 69 73 A E S S- 0 0 150 -30,-0.1 2,-0.3 2,-0.1 -29,-0.1 0.023 120.9 -28.7-114.0-126.0 4.8 28.4 2.8 70 74 A N S S+ 0 0 93 -31,-0.1 -33,-1.2 -2,-0.1 2,-0.5 -0.125 121.6 118.0 -65.7 34.6 5.6 26.2 5.7 71 75 A K E +C 36 0A 49 -2,-0.3 -3,-2.2 -35,-0.1 2,-0.5 -0.929 42.6 170.7-132.7 111.2 8.8 27.7 4.6 72 76 A L E -CD 35 67A 1 -37,-1.1 -37,-3.5 -2,-0.5 2,-0.4 -0.986 10.0-179.0-123.4 116.8 11.2 30.0 6.5 73 77 A Y E -CD 34 66A 13 -7,-2.3 -7,-2.8 -2,-0.5 2,-0.5 -0.964 10.2-161.5-114.5 137.1 14.6 30.8 4.9 74 78 A L E -CD 33 65A 0 -41,-2.3 -41,-3.2 -2,-0.4 2,-0.6 -0.976 8.9-152.1-117.8 130.4 17.1 32.9 6.5 75 79 A V E -CD 32 64A 2 -11,-3.1 -12,-2.1 -2,-0.5 -11,-1.6 -0.924 21.8-178.5-111.5 114.9 19.8 34.4 4.2 76 80 A F E -CD 31 62A 19 -45,-3.4 -45,-2.9 -2,-0.6 -14,-0.2 -0.861 35.7 -87.9-111.7 157.3 23.1 35.0 6.0 77 81 A E E -C 30 0A 45 -16,-2.4 2,-0.5 -2,-0.3 -47,-0.2 -0.238 49.4-121.2 -46.8 133.4 26.5 36.4 5.2 78 82 A F + 0 0 37 -49,-0.6 2,-0.3 -48,-0.1 -1,-0.1 -0.847 31.5 179.8 -90.3 129.0 28.8 33.6 4.0 79 83 A L - 0 0 13 -2,-0.5 53,-0.1 53,-0.1 52,-0.0 -0.944 30.2-127.0-121.0 156.3 32.0 32.9 5.9 80 84 A H S S+ 0 0 99 -2,-0.3 2,-0.3 51,-0.2 52,-0.1 0.559 76.2 6.9 -97.4 -2.7 34.3 30.2 4.8 81 85 A Q E -F 131 0B 55 50,-1.2 50,-2.9 211,-0.0 2,-0.2 -0.989 59.9-124.4-161.4 167.2 34.8 28.1 7.9 82 86 A D E > -F 130 0B 19 -2,-0.3 4,-2.1 48,-0.2 48,-0.2 -0.609 33.6-110.9-106.6 161.8 33.7 27.5 11.5 83 87 A L H > S+ 0 0 0 46,-2.7 4,-3.1 43,-1.1 44,-0.2 0.813 114.4 58.3 -62.7 -31.4 35.9 27.4 14.6 84 88 A K H > S+ 0 0 88 42,-0.6 4,-2.6 45,-0.3 -1,-0.2 0.931 108.5 44.8 -67.2 -46.1 35.5 23.7 15.1 85 89 A K H > S+ 0 0 103 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.914 115.2 49.1 -56.3 -43.1 36.9 23.0 11.7 86 90 A F H X S+ 0 0 6 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.896 111.8 48.8 -65.4 -42.6 39.7 25.5 12.3 87 91 A M H < S+ 0 0 19 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.934 112.7 47.3 -60.6 -48.5 40.4 23.9 15.7 88 92 A D H >< S+ 0 0 93 -4,-2.6 3,-1.9 1,-0.2 4,-0.2 0.980 113.6 48.2 -55.6 -54.4 40.5 20.4 14.2 89 93 A A H 3< S+ 0 0 81 -4,-3.1 3,-0.3 1,-0.3 -1,-0.2 0.748 114.6 47.4 -48.9 -31.9 42.7 21.7 11.4 90 94 A S T >X S+ 0 0 22 -4,-1.5 4,-2.9 1,-0.2 3,-0.7 0.225 79.7 110.6 -98.3 10.8 45.0 23.4 14.0 91 95 A A T <4 + 0 0 51 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.819 65.1 62.0 -64.2 -34.6 45.2 20.4 16.4 92 96 A L T 34 S+ 0 0 163 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.864 129.9 7.4 -64.9 -37.7 48.8 19.4 15.9 93 97 A T T <4 S- 0 0 117 -3,-0.7 -1,-0.2 1,-0.1 -2,-0.2 0.493 103.3-127.8-116.6 -11.5 50.1 22.8 17.2 94 98 A G < - 0 0 13 -4,-2.9 -1,-0.1 -7,-0.2 99,-0.1 -0.014 42.1 -58.5 76.7 162.8 46.9 24.5 18.5 95 99 A I - 0 0 13 97,-0.5 5,-0.1 1,-0.1 100,-0.0 -0.720 68.2-104.7 -67.9 129.3 45.7 27.9 17.6 96 100 A P >> - 0 0 81 0, 0.0 4,-2.1 0, 0.0 3,-1.2 -0.318 28.1-117.6 -55.6 144.2 48.5 30.4 18.6 97 101 A L H 3> S+ 0 0 60 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.808 111.8 58.1 -59.5 -42.7 47.6 32.3 21.8 98 102 A P H 3> S+ 0 0 68 0, 0.0 4,-1.9 0, 0.0 188,-0.4 0.835 110.7 44.3 -54.2 -37.4 47.6 35.7 20.2 99 103 A L H <> S+ 0 0 5 -3,-1.2 4,-2.8 2,-0.2 -2,-0.2 0.834 112.0 52.0 -72.7 -40.4 44.9 34.5 17.8 100 104 A I H X S+ 0 0 5 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.913 112.0 47.8 -58.0 -46.4 43.0 32.8 20.6 101 105 A K H X S+ 0 0 11 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.919 111.4 49.3 -64.3 -44.5 43.1 36.1 22.4 102 106 A S H X S+ 0 0 4 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.910 112.1 49.1 -59.5 -46.9 41.9 38.1 19.4 103 107 A Y H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.934 111.7 47.6 -60.3 -45.5 39.0 35.7 18.8 104 108 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.907 111.6 51.4 -62.0 -45.4 37.9 35.8 22.5 105 109 A F H X S+ 0 0 56 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.917 112.4 46.2 -54.2 -47.9 38.1 39.7 22.4 106 110 A Q H X S+ 0 0 11 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.909 111.5 50.1 -69.3 -42.6 36.0 39.8 19.3 107 111 A L H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 -1,-0.2 0.902 108.8 53.0 -60.2 -43.8 33.4 37.4 20.5 108 112 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.847 107.8 51.6 -56.3 -41.3 33.1 39.3 23.7 109 113 A Q H X S+ 0 0 66 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.922 109.8 49.3 -58.6 -48.8 32.5 42.5 21.7 110 114 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.950 114.9 45.2 -54.3 -47.3 29.8 40.6 19.8 111 115 A L H X S+ 0 0 0 -4,-3.1 4,-3.3 1,-0.2 5,-0.3 0.916 108.5 54.3 -66.3 -45.4 28.3 39.5 23.1 112 116 A A H X S+ 0 0 6 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.909 111.7 48.1 -51.6 -46.9 28.5 42.9 24.7 113 117 A F H X S+ 0 0 42 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.969 115.9 40.5 -58.7 -56.5 26.6 44.3 21.7 114 118 A C H ><>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 3,-0.8 0.901 115.4 52.1 -61.0 -49.3 23.8 41.7 21.7 115 119 A H H ><5S+ 0 0 25 -4,-3.3 3,-2.1 3,-0.2 -1,-0.2 0.842 101.9 60.2 -56.6 -35.7 23.6 41.7 25.5 116 120 A S H 3<5S+ 0 0 58 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.763 107.5 46.4 -71.0 -21.6 23.2 45.6 25.6 117 121 A H T <<5S- 0 0 89 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.117 121.5-112.3 -97.9 16.1 20.1 45.1 23.5 118 122 A R T < 5S+ 0 0 199 -3,-2.1 2,-0.5 1,-0.2 -3,-0.2 0.832 71.9 139.6 58.3 35.3 19.0 42.3 25.9 119 123 A V < - 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0 0 30 -3,-1.6 3,-0.0 -61,-0.4 -5,-0.0 -0.594 44.4-166.0 -74.0 133.6 19.0 20.5 42.3 233 237 A K > - 0 0 101 -2,-0.3 3,-2.4 1,-0.1 -5,-0.1 -0.989 26.2-141.5-119.3 135.6 19.2 17.4 44.5 234 238 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.724 102.5 68.6 -53.9 -25.7 20.8 17.2 48.0 235 239 A S T 3 + 0 0 99 2,-0.0 3,-0.1 -3,-0.0 -3,-0.0 0.402 68.4 122.7 -80.1 1.7 22.0 13.8 46.9 236 240 A F S < S- 0 0 14 -3,-2.4 -19,-0.0 1,-0.1 -4,-0.0 -0.374 74.3-105.2 -56.1 138.1 24.5 15.3 44.3 237 241 A P - 0 0 56 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.362 28.6-127.9 -62.0 154.2 28.0 14.1 45.1 238 242 A K + 0 0 122 -3,-0.1 2,-0.3 -22,-0.1 -25,-0.0 -0.871 33.7 178.9-111.0 101.3 30.1 16.7 46.7 239 243 A W - 0 0 84 -2,-0.8 -22,-1.9 -27,-0.1 2,-0.2 -0.712 27.8-110.6-103.2 156.5 33.5 17.0 44.8 240 244 A A - 0 0 82 -2,-0.3 -24,-0.5 -24,-0.2 2,-0.2 -0.586 32.8-104.1 -86.5 150.5 36.3 19.4 45.5 241 245 A R - 0 0 114 -26,-0.3 2,-0.2 -2,-0.2 -26,-0.2 -0.445 33.5-141.9 -67.7 136.1 37.3 22.3 43.3 242 246 A Q - 0 0 73 -28,-2.7 2,-0.3 -2,-0.2 -1,-0.0 -0.667 24.5-100.0 -84.2 159.0 40.4 21.8 41.2 243 247 A D >> - 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0 0 62 -3,-0.7 6,-0.1 1,-0.1 -81,-0.1 -0.347 51.7-137.7 -57.4 131.0 31.6 31.6 38.2 265 269 A Y S S+ 0 0 11 -50,-0.1 -97,-0.2 -43,-0.1 -1,-0.1 0.958 88.4 73.1 -54.9 -51.2 28.7 29.4 39.4 266 270 A D S >> S- 0 0 14 -44,-0.4 3,-1.8 1,-0.2 4,-1.8 -0.560 74.4-151.5 -75.7 114.2 26.5 32.3 40.4 267 271 A P T 34 S+ 0 0 22 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.825 96.8 58.5 -60.7 -23.3 25.3 33.9 37.2 268 272 A N T 34 S+ 0 0 146 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.685 110.4 39.4 -71.7 -30.2 25.1 37.1 39.2 269 273 A K T <4 S+ 0 0 102 -3,-1.8 -1,-0.2 2,-0.1 3,-0.1 0.627 90.7 109.4 -93.3 -20.6 28.8 37.1 40.0 270 274 A R S < S- 0 0 12 -4,-1.8 -8,-0.2 -6,-0.1 -9,-0.1 -0.308 82.6 -97.5 -61.0 141.4 29.9 35.8 36.6 271 275 A I - 0 0 19 -10,-2.2 2,-0.1 -13,-0.2 -1,-0.1 -0.218 35.0-128.0 -63.1 141.8 31.8 38.5 34.6 272 276 A S > - 0 0 62 -3,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.464 22.1-112.6 -75.7 167.3 29.8 40.5 32.0 273 277 A A H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -161,-0.1 0.929 118.6 51.9 -67.1 -40.6 31.0 40.8 28.4 274 278 A K H > S+ 0 0 131 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.918 112.6 44.1 -64.5 -47.0 31.6 44.5 28.9 275 279 A A H >4 S+ 0 0 47 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.872 109.3 57.1 -64.6 -36.1 33.7 43.9 32.1 276 280 A A H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.2 6,-0.2 0.877 99.6 60.1 -61.0 -39.2 35.6 41.0 30.4 277 281 A L H 3< S+ 0 0 38 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.828 104.3 50.2 -63.6 -24.2 36.7 43.4 27.6 278 282 A A T << S+ 0 0 80 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.384 84.1 120.6 -88.1 -1.9 38.4 45.5 30.2 279 283 A H S X S- 0 0 15 -3,-2.0 3,-2.3 1,-0.1 4,-0.2 -0.429 75.6-118.2 -67.4 143.7 40.3 42.6 31.8 280 284 A P G > S+ 0 0 69 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.661 105.9 79.7 -51.8 -25.1 44.1 42.9 31.8 281 285 A F G 3 S+ 0 0 0 -27,-0.3 3,-0.4 1,-0.2 -26,-0.1 0.783 94.4 48.9 -43.8 -35.4 44.2 39.7 29.6 282 286 A F G X S+ 0 0 11 -3,-2.3 3,-1.9 -6,-0.2 -1,-0.2 0.348 77.9 103.5 -95.2 3.1 43.4 41.9 26.7 283 287 A Q T < S+ 0 0 163 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.857 93.7 31.4 -53.5 -37.3 46.0 44.6 27.4 284 288 A D T 3 S+ 0 0 109 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 -0.007 87.8 148.0-113.3 29.8 48.3 43.3 24.6 285 289 A V < + 0 0 41 -3,-1.9 2,-0.2 -184,-0.1 -186,-0.1 -0.323 18.7 174.4 -72.4 149.2 45.6 42.0 22.3 286 290 A T - 0 0 81 -188,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.724 35.0-113.6-140.1 178.8 46.3 42.2 18.5 287 291 A K - 0 0 118 -2,-0.2 -188,-0.1 -185,-0.0 -151,-0.1 -0.662 38.6-178.7-126.4 73.6 44.5 41.0 15.4 288 292 A P - 0 0 37 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.277 28.3-115.1 -67.7 161.1 46.6 38.3 13.7 289 293 A V - 0 0 109 -154,-0.0 2,-0.1 -2,-0.0 -155,-0.1 -0.835 28.4-132.9 -94.3 131.8 45.7 36.5 10.5 290 294 A P - 0 0 8 0, 0.0 2,-0.7 0, 0.0 -155,-0.1 -0.504 19.2-115.1 -73.3 149.6 44.9 32.8 10.7 291 295 A H - 0 0 178 -2,-0.1 2,-0.4 2,-0.0 -158,-0.0 -0.867 43.8-178.1 -87.2 122.5 46.5 30.4 8.3 292 296 A L - 0 0 22 -2,-0.7 -206,-0.0 -159,-0.1 -211,-0.0 -0.948 22.4-157.5-133.3 122.3 43.4 29.1 6.6 293 297 A R 0 0 237 -2,-0.4 -2,-0.0 1,-0.2 -1,-0.0 -0.275 360.0 360.0-115.2 46.1 43.6 26.4 3.9 294 298 A L 0 0 116 -213,-0.0 -1,-0.2 -2,-0.0 -213,-0.0 0.265 360.0 360.0 -89.7 360.0 40.4 27.0 1.9