==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-NOV-01 1KE6 . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.N.BRAMSON,J.CORONA,S.T.DAVIS,S.H.DICKERSON,M.EDELSTEIN, . 280 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14374.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 65.0 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 . 39 13.9 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 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 27.1 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 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 1 1 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 63 0, 0.0 3,-0.4 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0 -32.8 16.1 13.4 26.5 2 2 A E + 0 0 157 1,-0.2 22,-0.0 3,-0.1 0, 0.0 0.695 360.0 61.4 -85.6 -22.4 12.4 13.8 26.7 3 3 A N S S+ 0 0 104 20,-0.1 21,-2.7 21,-0.0 22,-0.4 0.379 98.2 71.4 -86.0 3.7 12.4 16.9 24.4 4 4 A F E -A 23 0A 18 -3,-0.4 2,-0.7 19,-0.2 19,-0.2 -0.948 66.0-148.0-126.5 145.0 13.8 14.8 21.5 5 5 A Q E -A 22 0A 117 17,-2.1 17,-1.5 -2,-0.4 2,-0.4 -0.913 24.3-136.7-110.4 104.0 12.4 12.2 19.2 6 6 A K E +A 21 0A 107 -2,-0.7 15,-0.3 15,-0.2 3,-0.1 -0.462 25.5 177.9 -64.3 118.0 15.1 9.7 18.2 7 7 A V E - 0 0 74 13,-3.1 2,-0.3 -2,-0.4 14,-0.2 0.937 59.8 -16.2 -85.9 -57.8 14.7 9.0 14.5 8 8 A E E -A 20 0A 128 12,-1.1 12,-2.9 0, 0.0 2,-0.6 -0.982 64.9-104.5-148.7 157.9 17.6 6.7 13.7 9 9 A K E -A 19 0A 105 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.760 26.7-168.9 -86.5 121.1 20.9 5.5 15.2 10 10 A I E - 0 0 83 8,-2.7 9,-0.2 -2,-0.6 -1,-0.2 0.667 56.3 -69.0 -83.8 -19.7 23.7 7.2 13.3 11 11 A G E -A 18 0A 21 7,-1.2 7,-1.8 2,-0.0 2,-0.3 -0.428 45.4 -84.9 138.9 147.0 26.4 5.0 14.8 12 12 A E E -A 17 0A 118 5,-0.2 5,-0.3 -2,-0.1 2,-0.2 -0.590 46.9-168.8 -79.2 136.9 28.3 4.1 18.0 13 13 A G - 0 0 41 3,-3.2 -1,-0.0 -2,-0.3 -2,-0.0 -0.486 38.2 -91.0-115.7-172.6 31.3 6.3 18.7 14 14 A T S S+ 0 0 95 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.875 126.4 26.1 -67.7 -38.7 34.3 6.4 21.1 15 15 A Y S S- 0 0 67 1,-0.2 21,-3.1 21,-0.1 2,-0.3 0.342 130.8 -42.2-108.3 5.6 32.4 8.4 23.7 16 16 A G E - B 0 35A 6 19,-0.3 -3,-3.2 20,-0.2 2,-0.3 -0.942 67.5 -56.9 158.7 179.3 28.9 7.4 23.0 17 17 A V E -AB 12 34A 23 17,-1.0 17,-2.4 -2,-0.3 2,-0.4 -0.705 41.3-147.6 -93.0 142.0 26.0 6.6 20.6 18 18 A V E -AB 11 33A 30 -7,-1.8 -8,-2.7 -2,-0.3 -7,-1.2 -0.936 15.2-174.4-114.5 132.2 24.8 9.2 18.1 19 19 A Y E -AB 9 32A 56 13,-3.0 13,-3.4 -2,-0.4 2,-0.5 -0.929 28.8-125.3-124.4 148.8 21.2 9.5 17.0 20 20 A K E +AB 8 31A 46 -12,-2.9 -13,-3.1 -2,-0.3 -12,-1.1 -0.801 48.4 175.6 -85.9 129.7 19.5 11.6 14.4 21 21 A A E -AB 6 30A 0 9,-3.0 9,-3.2 -2,-0.5 2,-0.5 -0.947 32.1-132.7-140.1 160.9 16.8 13.4 16.5 22 22 A R E -AB 5 29A 106 -17,-1.5 -17,-2.1 -2,-0.3 2,-0.9 -0.958 26.7-123.4-116.0 128.4 14.0 16.0 16.2 23 23 A N E > -A 4 0A 25 5,-2.8 4,-2.7 -2,-0.5 -19,-0.2 -0.593 18.8-146.0 -70.4 106.5 13.7 18.7 18.8 24 24 A K T 4 S+ 0 0 135 -21,-2.7 -1,-0.2 -2,-0.9 -20,-0.1 0.612 93.9 37.5 -50.8 -13.2 10.1 18.2 19.9 25 25 A L T 4 S+ 0 0 152 -22,-0.4 -1,-0.1 3,-0.1 -21,-0.0 0.823 125.1 28.3-101.2 -76.3 9.9 21.9 20.4 26 26 A T T 4 S- 0 0 83 1,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.733 93.4-135.4 -60.1 -25.1 11.8 23.9 17.7 27 27 A G < + 0 0 31 -4,-2.7 -3,-0.1 1,-0.3 -1,-0.1 0.447 53.7 145.7 81.8 -0.9 11.2 21.0 15.3 28 28 A E - 0 0 88 -5,-0.1 -5,-2.8 -6,-0.1 2,-0.5 -0.369 50.5-123.3 -71.8 148.5 14.8 21.2 14.1 29 29 A V E +B 22 0A 53 -7,-0.2 47,-0.6 -3,-0.1 2,-0.2 -0.816 42.5 164.3 -94.1 128.3 16.7 18.0 13.1 30 30 A V E -BC 21 75A 2 -9,-3.2 -9,-3.0 -2,-0.5 2,-0.6 -0.807 42.8-105.8-137.0 176.5 19.9 17.5 15.1 31 31 A A E -BC 20 74A 12 43,-2.7 43,-3.0 -2,-0.2 2,-0.6 -0.942 34.2-159.2-108.6 113.0 22.5 14.9 16.0 32 32 A L E -BC 19 73A 4 -13,-3.4 -13,-3.0 -2,-0.6 2,-0.6 -0.845 5.1-166.6 -99.1 119.1 22.0 13.8 19.6 33 33 A K E -BC 18 72A 5 39,-3.2 39,-2.9 -2,-0.6 2,-0.8 -0.917 7.5-156.9-110.2 116.6 25.1 12.2 21.2 34 34 A K E -BC 17 71A 72 -17,-2.4 -17,-1.0 -2,-0.6 2,-0.4 -0.827 21.4-134.3 -91.3 112.3 24.6 10.3 24.5 35 35 A I E B 16 0A 30 35,-2.3 35,-0.4 -2,-0.8 -19,-0.3 -0.547 360.0 360.0 -71.8 121.9 27.9 10.3 26.3 36 36 A R 0 0 115 -21,-3.1 -1,-0.2 -2,-0.4 -20,-0.2 0.993 360.0 360.0 -73.5 360.0 28.7 6.9 27.6 37 ! 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 38 44 A V 0 0 68 0, 0.0 5,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 117.0 30.0 13.5 35.2 39 45 A P >> - 0 0 87 0, 0.0 4,-1.7 0, 0.0 3,-0.6 -0.269 360.0-135.3 -55.8 133.4 33.4 15.0 36.0 40 46 A S H 3> S+ 0 0 71 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.838 104.9 59.2 -59.7 -34.6 33.2 18.8 36.6 41 47 A T H 3> S+ 0 0 97 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.867 103.9 51.1 -63.2 -36.4 36.4 19.2 34.4 42 48 A A H <> S+ 0 0 2 -3,-0.6 4,-2.8 2,-0.2 5,-0.3 0.921 107.3 52.8 -66.2 -45.2 34.6 17.6 31.5 43 49 A I H X S+ 0 0 36 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.912 112.4 45.1 -56.9 -45.1 31.6 20.0 31.9 44 50 A R H X S+ 0 0 155 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.944 113.8 48.4 -65.8 -48.3 33.9 23.0 31.8 45 51 A E H X S+ 0 0 83 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.883 113.1 47.8 -59.6 -41.0 35.9 21.7 28.8 46 52 A I H >X S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.2 4,-0.8 0.918 105.9 59.5 -65.8 -43.0 32.8 20.9 26.8 47 53 A S H >< S+ 0 0 44 -4,-2.2 3,-0.7 1,-0.3 4,-0.2 0.849 100.2 55.3 -54.2 -38.6 31.3 24.3 27.6 48 54 A L H >< S+ 0 0 118 -4,-1.6 3,-0.8 1,-0.2 -1,-0.3 0.750 100.3 63.1 -67.5 -23.5 34.2 26.1 26.0 49 55 A L H X< S+ 0 0 11 -3,-1.4 3,-1.3 -4,-0.7 11,-0.3 0.780 88.9 64.4 -74.1 -28.3 33.5 24.1 22.8 50 56 A K T << S+ 0 0 65 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.1 0.562 100.0 54.8 -74.7 -2.9 30.1 25.5 22.1 51 57 A E T < S+ 0 0 141 -3,-0.8 2,-1.3 -4,-0.2 -1,-0.3 0.508 83.3 97.8-100.7 -8.7 31.7 28.9 21.6 52 58 A L < + 0 0 11 -3,-1.3 2,-0.5 -4,-0.2 8,-0.3 -0.672 56.3 172.0 -82.9 93.6 34.1 27.4 19.0 53 59 A N + 0 0 86 -2,-1.3 5,-0.1 6,-0.1 -3,-0.0 -0.913 9.3 141.9-114.0 129.9 32.2 28.4 15.8 54 60 A H > - 0 0 41 -2,-0.5 3,-1.9 3,-0.4 5,-0.1 -0.970 55.4-115.4-159.5 145.3 33.6 28.0 12.3 55 61 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 80,-0.1 0.711 115.3 47.4 -59.5 -19.1 32.0 27.0 8.9 56 62 A N T 3 S+ 0 0 8 80,-0.1 81,-2.3 48,-0.1 2,-0.4 0.205 98.0 80.5-108.9 17.5 34.1 23.8 8.7 57 63 A I B < S-e 137 0B 2 -3,-1.9 2,-0.5 79,-0.3 -3,-0.4 -0.973 87.8-112.3-121.8 134.2 33.5 22.6 12.3 58 64 A V - 0 0 3 79,-2.9 2,-0.2 -2,-0.4 81,-0.2 -0.536 42.7-118.6 -67.4 119.6 30.3 20.7 13.2 59 65 A K - 0 0 54 -2,-0.5 16,-2.1 1,-0.1 2,-1.0 -0.392 11.8-141.3 -66.9 127.7 28.5 23.1 15.5 60 66 A L E -D 74 0A 2 -11,-0.3 14,-0.3 -8,-0.3 3,-0.1 -0.808 23.1-177.1 -88.4 104.5 27.8 22.0 19.1 61 67 A L E - 0 0 55 12,-1.8 2,-0.3 -2,-1.0 13,-0.2 0.898 55.2 -9.2 -72.7 -46.0 24.3 23.5 19.7 62 68 A D E -D 73 0A 94 11,-1.5 11,-2.6 2,-0.0 2,-0.5 -0.979 50.4-138.7-153.4 162.2 23.6 22.6 23.3 63 69 A V E -D 72 0A 31 -2,-0.3 2,-0.7 9,-0.2 9,-0.2 -0.988 17.9-162.1-127.5 116.8 24.9 20.6 26.3 64 70 A I E +D 71 0A 36 7,-2.8 7,-2.6 -2,-0.5 2,-0.6 -0.897 12.8 174.0-106.8 112.2 22.3 18.8 28.3 65 71 A H E +D 70 0A 84 -2,-0.7 2,-0.3 5,-0.2 5,-0.2 -0.879 24.0 138.4-118.2 94.9 23.4 17.7 31.8 66 72 A T E > +D 69 0A 69 3,-1.1 3,-2.0 -2,-0.6 -2,-0.0 -0.984 62.3 11.5-139.0 149.8 20.4 16.3 33.7 67 73 A E T 3 S- 0 0 145 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.865 128.9 -64.3 51.7 38.7 19.9 13.3 36.0 68 74 A N T 3 S+ 0 0 136 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.734 113.2 119.5 58.3 24.5 23.7 13.0 36.1 69 75 A K E < - D 0 66A 107 -3,-2.0 -3,-1.1 -31,-0.1 2,-0.5 -0.833 54.5-143.1-117.1 156.8 23.7 12.2 32.4 70 76 A L E + D 0 65A 6 -35,-0.4 -35,-2.3 -2,-0.3 2,-0.4 -0.979 17.4 177.1-127.2 122.9 25.4 14.2 29.5 71 77 A Y E -CD 34 64A 9 -7,-2.6 -7,-2.8 -2,-0.5 2,-0.5 -0.970 14.5-153.3-122.6 137.5 23.9 14.6 26.1 72 78 A L E -CD 33 63A 0 -39,-2.9 -39,-3.2 -2,-0.4 2,-0.6 -0.951 5.2-154.1-113.4 129.0 25.5 16.7 23.3 73 79 A V E +CD 32 62A 5 -11,-2.6 -12,-1.8 -2,-0.5 -11,-1.5 -0.911 20.3 178.4-105.8 115.9 23.4 18.3 20.7 74 80 A F E -CD 31 60A 18 -43,-3.0 -43,-2.7 -2,-0.6 -14,-0.2 -0.732 36.7 -94.3-113.0 162.5 25.2 18.9 17.4 75 81 A E E -C 30 0A 47 -16,-2.1 2,-0.4 -2,-0.2 -45,-0.2 -0.423 49.2-119.7 -69.5 152.8 24.1 20.3 14.0 76 82 A F - 0 0 44 -47,-0.6 2,-0.4 -2,-0.1 -47,-0.1 -0.826 29.3-179.0-105.4 136.4 23.1 17.5 11.6 77 83 A L - 0 0 16 -2,-0.4 53,-0.1 53,-0.1 52,-0.0 -0.976 27.2-131.7-128.0 143.5 24.7 16.6 8.2 78 84 A H S S+ 0 0 113 -2,-0.4 2,-0.3 51,-0.1 52,-0.1 0.653 77.6 25.1 -72.6 -19.6 23.4 13.7 6.0 79 85 A Q E -F 129 0B 23 50,-1.1 50,-2.6 4,-0.0 2,-0.2 -0.995 60.3-139.1-149.1 151.4 26.6 11.8 5.1 80 86 A D E > -F 128 0B 48 -2,-0.3 4,-1.8 48,-0.2 48,-0.3 -0.686 33.1-111.9-103.8 163.0 30.1 11.1 6.2 81 87 A L H > S+ 0 0 0 46,-2.9 4,-2.9 43,-0.9 5,-0.2 0.859 114.5 60.5 -61.1 -36.8 33.2 11.0 4.0 82 88 A K H > S+ 0 0 71 42,-0.9 4,-2.1 45,-0.3 -1,-0.2 0.945 107.4 44.6 -56.3 -49.4 33.6 7.2 4.6 83 89 A K H > S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.883 113.1 52.0 -63.1 -38.2 30.2 6.6 3.0 84 90 A F H X S+ 0 0 13 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.900 108.5 50.6 -65.7 -40.4 31.0 9.0 0.2 85 91 A M H < S+ 0 0 21 -4,-2.9 3,-0.4 2,-0.2 4,-0.3 0.901 109.5 50.6 -64.3 -41.4 34.3 7.2 -0.6 86 92 A D H >< S+ 0 0 90 -4,-2.1 3,-1.6 1,-0.2 4,-0.3 0.945 109.9 50.5 -60.2 -48.5 32.5 3.9 -0.7 87 93 A A H 3< S+ 0 0 69 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.700 115.8 43.0 -62.8 -20.9 29.9 5.3 -3.1 88 94 A S T 3X S+ 0 0 16 -4,-1.0 4,-4.1 -3,-0.4 3,-0.4 0.284 79.9 111.9-107.7 7.4 32.8 6.6 -5.2 89 95 A A T <4 S+ 0 0 51 -3,-1.6 -1,-0.1 -4,-0.3 -2,-0.1 0.835 76.6 50.1 -48.9 -42.4 35.0 3.5 -5.0 90 96 A L T 4 S+ 0 0 171 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.868 128.3 18.7 -68.5 -40.3 34.5 2.7 -8.7 91 97 A T T 4 S- 0 0 110 -3,-0.4 -2,-0.2 -4,-0.1 -1,-0.2 0.618 101.3-134.0-106.1 -19.2 35.3 6.1 -10.2 92 98 A G < - 0 0 8 -4,-4.1 89,-0.1 -7,-0.2 -3,-0.1 0.088 37.2 -63.1 79.8 159.0 37.2 7.7 -7.3 93 99 A I - 0 0 14 87,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.652 61.6-103.2 -81.0 133.3 36.6 11.2 -6.1 94 100 A P >> - 0 0 79 0, 0.0 4,-2.1 0, 0.0 3,-1.0 -0.286 27.2-122.9 -55.5 136.7 37.3 13.9 -8.7 95 101 A L H 3> S+ 0 0 72 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.872 110.8 56.7 -50.0 -44.4 40.7 15.7 -7.9 96 102 A P H 3> S+ 0 0 69 0, 0.0 4,-2.0 0, 0.0 178,-0.4 0.870 109.1 46.7 -57.7 -35.7 39.0 19.1 -7.8 97 103 A L H <> S+ 0 0 8 -3,-1.0 4,-2.8 2,-0.2 -2,-0.2 0.877 110.4 52.1 -73.4 -38.5 36.7 17.8 -5.1 98 104 A I H X S+ 0 0 5 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.940 111.5 47.5 -61.3 -45.5 39.6 16.2 -3.2 99 105 A K H X S+ 0 0 15 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.904 112.1 49.8 -62.7 -42.3 41.5 19.5 -3.3 100 106 A S H X S+ 0 0 4 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.947 112.6 46.3 -61.4 -49.7 38.4 21.4 -2.1 101 107 A Y H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.911 113.5 48.0 -61.1 -44.2 37.7 19.1 0.8 102 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.907 110.8 52.5 -63.4 -40.9 41.4 19.1 1.9 103 109 A F H X S+ 0 0 54 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.919 112.3 44.2 -61.2 -44.7 41.5 22.9 1.7 104 110 A Q H X S+ 0 0 12 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.871 111.4 53.2 -68.7 -39.0 38.4 23.3 3.9 105 111 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.905 108.3 50.8 -63.4 -40.3 39.6 20.7 6.4 106 112 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.850 107.9 52.8 -65.9 -33.9 42.8 22.6 6.8 107 113 A Q H X S+ 0 0 66 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.932 110.6 48.2 -65.9 -43.5 40.9 25.8 7.4 108 114 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.909 113.9 45.7 -61.8 -44.3 39.0 24.0 10.1 109 115 A L H X S+ 0 0 4 -4,-2.6 4,-3.7 2,-0.2 5,-0.3 0.912 108.9 54.9 -66.3 -43.4 42.1 22.6 11.7 110 116 A A H X S+ 0 0 2 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.877 110.4 48.5 -57.4 -38.2 44.0 25.9 11.5 111 117 A F H X S+ 0 0 48 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.953 114.9 42.5 -67.1 -50.8 41.1 27.5 13.4 112 118 A C H ><>S+ 0 0 7 -4,-2.3 5,-2.5 1,-0.2 3,-0.7 0.922 113.7 52.4 -61.7 -45.0 41.0 24.8 16.1 113 119 A H H ><5S+ 0 0 26 -4,-3.7 3,-1.5 1,-0.3 -1,-0.2 0.834 102.7 59.0 -61.6 -33.8 44.8 24.8 16.4 114 120 A S H 3<5S+ 0 0 79 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.829 107.7 46.5 -63.7 -32.2 44.8 28.5 16.9 115 121 A H T <<5S- 0 0 105 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.254 120.2-112.9 -92.5 11.8 42.6 28.1 19.9 116 122 A R T < 5S+ 0 0 230 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.845 71.5 140.0 60.6 36.3 44.9 25.2 21.1 117 123 A V < - 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0 0 40 -3,-1.6 -5,-0.0 -61,-0.4 3,-0.0 -0.548 44.0-163.0 -74.1 139.0 61.0 2.6 21.0 221 237 A K > - 0 0 109 -2,-0.2 3,-2.1 1,-0.1 -2,-0.1 -0.990 23.4-143.7-126.8 130.0 62.9 -0.7 20.8 222 238 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.719 101.1 69.0 -61.5 -18.3 66.5 -1.0 19.4 223 239 A S T 3 + 0 0 103 2,-0.0 3,-0.1 -3,-0.0 -3,-0.0 0.391 68.3 125.3 -82.8 3.4 65.2 -4.3 18.0 224 240 A F S < S- 0 0 17 -3,-2.1 -19,-0.0 1,-0.1 -4,-0.0 -0.395 71.7-107.0 -61.3 138.9 62.9 -2.7 15.5 225 241 A P - 0 0 55 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.370 29.9-123.1 -66.5 149.0 63.6 -4.0 12.0 226 242 A K + 0 0 189 -3,-0.1 2,-0.3 -22,-0.1 -25,-0.0 -0.843 35.6 177.6-100.9 107.3 65.3 -1.4 9.8 227 243 A W - 0 0 77 -2,-0.8 -22,-2.2 -27,-0.1 2,-0.2 -0.788 25.6-120.7-107.1 150.2 63.4 -0.8 6.6 228 244 A A - 0 0 84 -2,-0.3 -24,-0.5 -24,-0.2 2,-0.2 -0.538 32.6-101.4 -87.8 156.0 64.2 1.6 3.8 229 245 A R - 0 0 122 -26,-0.3 -26,-0.2 -2,-0.2 2,-0.2 -0.498 33.7-137.6 -75.8 142.6 62.0 4.5 2.7 230 246 A Q - 0 0 76 -28,-2.9 2,-0.3 -2,-0.2 -1,-0.0 -0.640 26.1 -97.5 -98.7 158.8 59.9 4.0 -0.5 231 247 A D >> - 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0 0 84 -178,-0.4 -2,-0.0 -2,-0.1 -1,-0.0 -0.767 36.7-112.9-136.2-178.6 37.7 25.7 -6.4 275 291 A K - 0 0 132 -2,-0.2 -178,-0.1 -175,-0.0 -141,-0.1 -0.719 37.9-179.3-125.7 81.9 34.5 24.7 -4.6 276 292 A P - 0 0 40 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.300 27.6-118.5 -75.6 164.2 32.7 22.1 -6.8 277 293 A V - 0 0 112 -2,-0.0 -145,-0.1 -144,-0.0 2,-0.1 -0.924 26.4-136.5-108.0 125.5 29.4 20.5 -5.7 278 294 A P - 0 0 19 0, 0.0 2,-1.0 0, 0.0 -145,-0.1 -0.384 16.3-117.0 -77.8 156.9 29.3 16.7 -5.2 279 295 A H - 0 0 142 -2,-0.1 2,-0.3 2,-0.0 -148,-0.0 -0.814 40.9-171.4 -95.0 98.4 26.6 14.4 -6.5 280 296 A L - 0 0 27 -2,-1.0 2,-0.7 -149,-0.1 -149,-0.0 -0.743 18.7-153.9 -97.0 141.2 25.2 13.0 -3.2 281 297 A R 0 0 205 -2,-0.3 -2,-0.0 1,-0.2 -194,-0.0 -0.913 360.0 360.0-113.3 100.9 22.7 10.2 -3.0 282 298 A L 0 0 152 -2,-0.7 -1,-0.2 -203,-0.0 0, 0.0 0.905 360.0 360.0 -90.8 360.0 20.8 10.6 0.2