==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-DEC-11 4ACM . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.BERG,R.BHAT,M.ANDERSON,M.BERGH,C.BRASSINGTON,S.HELLBERG,E. . 277 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13507.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 64.6 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 . 40 14.4 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 . 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 . 18 6.5 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 . 74 26.7 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 2 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 1 1 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 54 0, 0.0 3,-2.4 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0 -22.4 -13.3 31.4 -2.7 2 2 A E T 3 + 0 0 84 1,-0.3 22,-0.0 3,-0.0 0, 0.0 0.691 360.0 63.0 -59.0 -20.3 -13.2 31.5 -6.6 3 3 A N T 3 S+ 0 0 94 20,-0.1 21,-4.0 21,-0.1 2,-0.5 0.569 94.9 74.7 -79.9 -13.9 -10.6 34.3 -6.1 4 4 A F E < -A 23 0A 24 -3,-2.4 2,-0.6 19,-0.2 19,-0.2 -0.921 59.8-162.8-114.5 127.2 -8.1 31.9 -4.3 5 5 A Q E -A 22 0A 57 17,-2.7 17,-2.7 -2,-0.5 2,-0.2 -0.918 25.6-133.6-100.3 113.0 -5.9 29.2 -5.9 6 6 A K E -A 21 0A 103 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.523 24.4-179.1 -68.6 134.1 -4.7 26.8 -3.1 7 7 A V E - 0 0 62 13,-3.4 2,-0.3 1,-0.4 14,-0.2 0.839 59.4 -30.8 -99.5 -56.6 -1.0 26.1 -3.5 8 8 A E E -A 20 0A 114 12,-1.2 12,-3.4 0, 0.0 -1,-0.4 -0.978 61.9 -94.3-161.0 159.2 -0.3 23.6 -0.6 9 9 A K E +A 19 0A 72 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.596 33.5 179.6 -77.0 134.5 -1.5 22.7 3.0 10 10 A I E - 0 0 65 8,-3.0 2,-0.2 1,-0.4 9,-0.2 0.259 60.1 -19.2-121.6 8.9 0.7 24.5 5.6 11 11 A G E -A 18 0A 31 7,-0.9 7,-2.9 2,-0.0 2,-0.4 -0.807 44.5-126.6 159.7 159.2 -0.9 23.2 8.8 12 12 A E E -A 17 0A 93 5,-0.2 5,-0.2 -2,-0.2 7,-0.0 -0.862 43.4-171.4-127.7 85.5 -3.9 21.6 10.5 13 13 A G E > -A 16 0A 39 3,-1.5 3,-0.8 -2,-0.4 -2,-0.0 0.031 38.0 -88.2 -70.5-177.7 -4.7 24.0 13.4 14 14 A T T 3 S+ 0 0 83 1,-0.2 3,-0.1 3,-0.0 132,-0.0 0.900 123.5 24.7 -60.5 -49.6 -7.1 23.8 16.3 15 15 A Y T 3 S- 0 0 41 1,-0.2 21,-1.2 21,-0.1 -1,-0.2 -0.286 130.3 -20.3-117.2 46.7 -10.1 25.2 14.6 16 16 A G E < S-AB 13 35A 14 -3,-0.8 -3,-1.5 19,-0.2 2,-0.3 -0.540 73.1 -70.5 135.2 162.4 -9.4 24.5 10.9 17 17 A V E -AB 12 34A 46 17,-0.7 17,-2.3 -5,-0.2 2,-0.4 -0.598 39.1-142.6 -86.5 136.9 -6.9 23.7 8.1 18 18 A V E -AB 11 33A 31 -7,-2.9 -8,-3.0 -2,-0.3 -7,-0.9 -0.907 18.8-174.1-107.7 128.7 -4.3 26.3 6.9 19 19 A Y E -AB 9 32A 70 13,-3.0 13,-3.6 -2,-0.4 2,-0.4 -0.955 28.1-127.9-122.5 144.7 -3.4 26.6 3.2 20 20 A K E +AB 8 31A 53 -12,-3.4 -13,-3.4 -2,-0.4 -12,-1.2 -0.744 47.1 175.9 -82.4 129.4 -0.8 28.6 1.3 21 21 A A E -AB 6 30A 0 9,-3.2 9,-2.9 -2,-0.4 2,-0.4 -0.943 31.1-132.2-140.2 161.2 -2.9 30.3 -1.5 22 22 A R E -AB 5 29A 113 -17,-2.7 -17,-2.7 -2,-0.3 2,-0.6 -0.976 21.4-130.4-116.2 127.0 -2.7 32.8 -4.4 23 23 A N E > -A 4 0A 24 5,-3.2 4,-2.4 -2,-0.4 -19,-0.2 -0.668 17.0-149.7 -73.4 114.6 -5.2 35.6 -4.9 24 24 A K T 4 S+ 0 0 138 -21,-4.0 -1,-0.1 -2,-0.6 -20,-0.1 0.656 91.9 43.0 -62.4 -19.4 -6.2 35.2 -8.6 25 25 A L T 4 S+ 0 0 81 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.907 127.2 23.6 -91.7 -53.9 -6.9 39.0 -8.9 26 26 A T T 4 S- 0 0 99 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.661 93.4-127.5 -88.0 -22.7 -3.9 40.7 -7.1 27 27 A G < + 0 0 44 -4,-2.4 -3,-0.1 1,-0.3 2,-0.0 0.421 54.8 157.3 83.6 2.1 -1.4 37.8 -7.3 28 28 A E - 0 0 92 -5,-0.1 -5,-3.2 -6,-0.1 2,-0.5 -0.318 40.0-137.8 -62.7 134.0 -1.0 38.1 -3.5 29 29 A V E +B 22 0A 51 -7,-0.2 46,-0.6 -3,-0.1 2,-0.3 -0.878 38.0 164.3 -95.5 122.4 0.4 35.0 -1.8 30 30 A V E -BC 21 74A 0 -9,-2.9 -9,-3.2 -2,-0.5 2,-0.5 -0.862 42.8-110.4-133.8 172.1 -1.6 34.5 1.5 31 31 A A E -BC 20 73A 12 42,-2.3 42,-3.0 -2,-0.3 2,-0.5 -0.941 32.2-158.5-105.4 123.3 -2.4 31.9 4.2 32 32 A L E -BC 19 72A 2 -13,-3.6 -13,-3.0 -2,-0.5 2,-0.6 -0.938 4.6-166.0-107.7 118.0 -6.0 30.8 4.0 33 33 A K E -BC 18 71A 2 38,-2.7 38,-2.5 -2,-0.5 2,-0.7 -0.934 8.3-153.5-105.2 114.7 -7.5 29.3 7.1 34 34 A K E -BC 17 70A 25 -17,-2.3 -17,-0.7 -2,-0.6 2,-0.3 -0.830 22.2-131.7 -89.7 112.2 -10.9 27.4 6.6 35 35 A I E BC 16 69A 41 34,-3.6 34,-0.7 -2,-0.7 -19,-0.2 -0.532 360.0 360.0 -72.3 128.6 -12.8 27.6 9.9 36 36 A R 0 0 119 -21,-1.2 -1,-0.1 -2,-0.3 -20,-0.1 0.877 360.0 360.0 -68.9 360.0 -14.2 24.2 11.2 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 79 0, 0.0 5,-0.0 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 126.9 -21.4 30.2 11.6 39 45 A P > - 0 0 83 0, 0.0 4,-1.7 0, 0.0 3,-0.1 -0.271 360.0-128.2 -65.5 153.8 -22.7 32.0 14.8 40 46 A S H > S+ 0 0 105 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.838 109.9 58.3 -66.0 -36.9 -23.2 35.8 14.9 41 47 A T H > S+ 0 0 116 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.849 106.9 47.6 -60.7 -40.3 -21.0 36.1 18.1 42 48 A A H > S+ 0 0 32 2,-0.2 4,-2.9 3,-0.2 5,-0.2 0.917 110.3 51.4 -69.1 -45.5 -18.1 34.5 16.2 43 49 A I H X S+ 0 0 42 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.928 114.8 43.2 -56.2 -49.2 -18.5 36.8 13.1 44 50 A R H X S+ 0 0 57 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.929 115.9 47.4 -63.4 -47.7 -18.5 39.9 15.4 45 51 A E H X S+ 0 0 30 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.879 114.3 46.9 -61.6 -42.3 -15.6 38.6 17.6 46 52 A I H >X S+ 0 0 15 -4,-2.9 3,-0.8 1,-0.2 4,-0.5 0.858 107.4 57.5 -69.4 -36.5 -13.5 37.7 14.5 47 53 A S H >< S+ 0 0 47 -4,-2.1 3,-0.7 1,-0.2 4,-0.4 0.801 99.9 58.2 -63.8 -31.9 -14.3 41.2 12.8 48 54 A L H >< S+ 0 0 105 -4,-1.3 3,-0.7 1,-0.2 4,-0.4 0.734 96.8 63.8 -70.2 -22.9 -12.7 43.0 15.9 49 55 A L H X< S+ 0 0 19 -3,-0.8 3,-0.6 -4,-0.5 11,-0.3 0.753 87.3 69.0 -73.3 -23.4 -9.5 41.1 15.2 50 56 A K T << S+ 0 0 81 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.782 102.3 47.3 -62.7 -28.3 -9.1 42.9 11.8 51 57 A E T < S+ 0 0 146 -3,-0.7 2,-1.9 -4,-0.4 -1,-0.2 0.619 86.3 92.6 -86.6 -19.5 -8.5 46.1 13.8 52 58 A L < + 0 0 16 -3,-0.6 2,-0.4 -4,-0.4 8,-0.2 -0.556 60.3 164.9 -79.8 74.8 -5.9 44.4 16.2 53 59 A N + 0 0 72 -2,-1.9 5,-0.1 6,-0.1 6,-0.1 -0.848 4.5 145.7-102.7 130.1 -2.9 45.4 14.0 54 60 A H > - 0 0 45 -2,-0.4 3,-2.0 3,-0.4 53,-0.0 -0.971 56.6-113.1-156.7 148.9 0.8 45.2 15.3 55 61 A P T 3 S+ 0 0 91 0, 0.0 4,-0.1 0, 0.0 52,-0.0 0.766 119.2 48.4 -60.7 -20.7 4.2 44.4 13.7 56 62 A N T 3 S+ 0 0 9 79,-0.1 80,-2.8 47,-0.1 2,-0.4 0.153 98.3 80.7-105.1 18.8 4.4 41.2 15.9 57 63 A I B < S-e 136 0B 9 -3,-2.0 -3,-0.4 78,-0.3 80,-0.2 -0.992 89.6-112.6-122.2 128.6 0.8 40.0 15.1 58 64 A V - 0 0 8 78,-3.0 2,-0.3 -2,-0.4 81,-0.1 -0.397 43.1-112.2 -59.3 124.6 0.1 38.1 11.8 59 65 A K - 0 0 94 -4,-0.1 15,-2.5 -2,-0.1 2,-0.9 -0.522 18.2-145.8 -66.6 126.0 -2.1 40.5 9.8 60 66 A L E -D 73 0A 12 -2,-0.3 13,-0.3 -11,-0.3 3,-0.1 -0.860 21.7-179.5 -90.2 102.7 -5.7 39.3 9.3 61 67 A L E - 0 0 38 11,-2.1 2,-0.3 -2,-0.9 12,-0.2 0.902 57.3 -4.4 -72.6 -48.8 -6.3 40.7 5.8 62 68 A D E -D 72 0A 90 10,-1.6 10,-3.3 2,-0.0 2,-0.5 -0.994 49.2-144.2-151.5 153.5 -9.9 39.5 5.3 63 69 A V E -D 71 0A 25 -2,-0.3 2,-0.6 8,-0.2 8,-0.2 -0.989 21.1-161.0-118.9 119.5 -12.8 37.5 6.8 64 70 A I E -D 70 0A 39 6,-3.3 6,-2.8 -2,-0.5 2,-0.6 -0.947 8.4-175.3-110.7 116.7 -14.8 35.6 4.1 65 71 A H E D 69 0A 106 -2,-0.6 4,-0.2 4,-0.2 -2,-0.0 -0.943 360.0 360.0-114.2 99.2 -18.3 34.5 5.2 66 72 A T 0 0 116 2,-1.7 -2,-0.1 -2,-0.6 0, 0.0 -0.996 360.0 360.0-138.3 360.0 -19.9 32.4 2.4 67 ! 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 68 75 A K 0 0 72 0, 0.0 -2,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -46.3 -18.2 28.2 5.7 69 76 A L E -CD 35 65A 4 -34,-0.7 -34,-3.6 -4,-0.2 2,-0.4 -0.971 360.0-172.2-119.4 129.6 -15.8 30.8 7.3 70 77 A Y E -CD 34 64A 48 -6,-2.8 -6,-3.3 -2,-0.4 2,-0.5 -0.983 9.6-158.1-122.4 133.6 -12.4 31.7 5.8 71 78 A L E -CD 33 63A 0 -38,-2.5 -38,-2.7 -2,-0.4 2,-0.6 -0.937 8.9-154.0-109.3 125.9 -9.7 33.9 7.4 72 79 A V E +CD 32 62A 3 -10,-3.3 -11,-2.1 -2,-0.5 -10,-1.6 -0.927 21.2 179.5-102.8 113.1 -7.2 35.4 4.9 73 80 A F E -CD 31 60A 20 -42,-3.0 -42,-2.3 -2,-0.6 -13,-0.2 -0.787 35.5 -95.4-112.3 158.7 -3.9 36.2 6.7 74 81 A E E -C 30 0A 48 -15,-2.5 2,-0.6 -2,-0.3 -44,-0.2 -0.376 48.2-111.5 -66.3 149.0 -0.6 37.6 5.5 75 82 A F - 0 0 57 -46,-0.6 2,-0.2 -45,-0.1 -1,-0.1 -0.780 31.4-164.4 -90.7 120.9 1.9 34.9 4.5 76 83 A L - 0 0 13 -2,-0.6 53,-0.2 1,-0.1 3,-0.1 -0.673 25.1-119.8-100.5 164.8 5.0 34.4 6.6 77 84 A H S S- 0 0 75 51,-0.7 2,-0.3 -2,-0.2 52,-0.2 0.706 79.4 -14.9 -75.3 -34.8 8.1 32.5 5.6 78 85 A Q E -F 128 0B 17 50,-1.4 50,-3.1 200,-0.0 2,-0.2 -0.959 62.3-112.5-166.1 157.8 8.3 29.7 8.3 79 86 A D E > -F 127 0B 39 -2,-0.3 4,-1.9 48,-0.2 48,-0.2 -0.660 30.6-116.2 -98.5 160.4 7.0 28.6 11.7 80 87 A L H > S+ 0 0 0 46,-2.9 4,-3.0 43,-1.0 44,-0.2 0.819 113.2 60.9 -65.5 -28.9 9.1 28.5 14.9 81 88 A K H > S+ 0 0 93 42,-0.8 4,-2.3 45,-0.3 -1,-0.2 0.954 108.3 43.0 -62.1 -49.2 8.6 24.7 15.2 82 89 A K H > S+ 0 0 122 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.884 115.4 50.3 -62.3 -40.0 10.2 24.1 11.7 83 90 A F H X S+ 0 0 6 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.912 110.0 49.2 -65.9 -42.9 13.0 26.7 12.6 84 91 A M H < S+ 0 0 19 -4,-3.0 -2,-0.2 2,-0.2 -1,-0.2 0.925 113.4 47.3 -59.9 -44.6 13.7 25.0 16.0 85 92 A D H >< S+ 0 0 107 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.914 112.5 48.7 -64.5 -43.5 13.9 21.5 14.3 86 93 A A H 3< S+ 0 0 78 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.759 115.9 44.6 -65.9 -28.0 16.2 23.0 11.6 87 94 A S T 3X S+ 0 0 15 -4,-1.7 4,-3.1 -3,-0.2 3,-0.3 0.220 81.6 109.1 -97.2 7.3 18.4 24.6 14.3 88 95 A A T <4 S+ 0 0 52 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.699 73.6 53.3 -62.0 -26.4 18.4 21.4 16.6 89 96 A L T 4 S+ 0 0 97 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.876 128.9 15.0 -77.0 -38.5 22.2 20.5 16.0 90 97 A T T 4 S- 0 0 120 -3,-0.3 -2,-0.2 1,-0.1 -1,-0.1 0.621 104.9-125.9-108.2 -23.8 23.7 23.9 16.9 91 98 A G < - 0 0 12 -4,-3.1 -3,-0.1 -7,-0.2 88,-0.1 0.121 36.2 -68.0 85.6 154.1 20.8 25.6 18.7 92 99 A I - 0 0 14 86,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.644 65.9-102.1 -71.9 130.4 19.2 29.0 17.9 93 100 A P >> - 0 0 81 0, 0.0 4,-2.1 0, 0.0 3,-1.1 -0.331 27.5-120.0 -58.6 137.4 21.9 31.6 18.8 94 101 A L H 3> S+ 0 0 68 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.856 111.9 56.4 -45.8 -48.1 21.1 33.3 22.2 95 102 A P H 3> S+ 0 0 67 0, 0.0 4,-2.1 0, 0.0 177,-0.4 0.850 110.2 46.1 -54.4 -37.0 20.9 36.8 20.6 96 103 A L H <> S+ 0 0 6 -3,-1.1 4,-2.8 2,-0.2 5,-0.2 0.889 110.7 51.9 -73.1 -40.7 18.2 35.5 18.2 97 104 A I H X S+ 0 0 6 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.943 112.4 47.0 -56.7 -48.6 16.3 33.8 21.1 98 105 A K H X S+ 0 0 10 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.909 112.1 49.4 -62.8 -41.3 16.3 37.1 23.0 99 106 A S H X S+ 0 0 4 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.936 113.3 46.7 -61.5 -48.5 15.2 39.1 19.9 100 107 A Y H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.909 113.7 47.8 -60.4 -45.8 12.3 36.6 19.3 101 108 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.937 112.5 49.6 -61.7 -45.0 11.3 36.6 23.0 102 109 A F H X S+ 0 0 53 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.898 112.7 46.5 -60.4 -45.1 11.4 40.5 23.1 103 110 A Q H X S+ 0 0 12 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.874 112.1 49.9 -68.4 -41.0 9.2 40.8 20.0 104 111 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.906 109.9 51.5 -64.8 -38.8 6.7 38.2 21.2 105 112 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.898 109.1 51.8 -62.5 -36.7 6.5 40.1 24.6 106 113 A Q H X S+ 0 0 65 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.935 110.9 46.6 -64.4 -45.8 5.8 43.3 22.5 107 114 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.895 114.5 47.5 -60.7 -43.5 3.0 41.5 20.6 108 115 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.931 108.8 53.5 -65.7 -42.7 1.6 40.2 23.9 109 116 A A H X S+ 0 0 27 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.907 111.6 47.7 -56.8 -41.2 1.8 43.6 25.6 110 117 A F H X S+ 0 0 48 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.954 115.5 42.1 -62.3 -56.4 -0.2 45.1 22.7 111 118 A C H ><>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 3,-0.8 0.900 115.0 50.3 -56.8 -49.4 -3.0 42.4 22.7 112 119 A H H ><5S+ 0 0 27 -4,-3.0 3,-1.6 1,-0.3 -1,-0.2 0.828 104.9 57.1 -63.2 -34.1 -3.2 42.3 26.5 113 120 A S H 3<5S+ 0 0 72 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.753 108.4 48.3 -68.8 -22.8 -3.6 46.2 26.6 114 121 A H T <<5S- 0 0 90 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.207 121.7-112.3 -97.7 13.6 -6.6 45.6 24.2 115 122 A R T < 5S+ 0 0 195 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.784 73.6 138.1 59.0 32.8 -8.0 42.9 26.6 116 123 A V < - 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0 0 30 -3,-1.6 3,-0.0 -61,-0.4 -5,-0.0 -0.586 45.4-164.7 -77.6 140.3 -7.3 20.5 42.6 219 237 A K > - 0 0 104 -2,-0.3 3,-2.3 1,-0.1 -5,-0.1 -0.997 25.2-141.7-125.5 131.8 -7.2 17.3 44.7 220 238 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.784 103.0 69.3 -57.8 -22.7 -5.6 17.0 48.2 221 239 A S T 3 + 0 0 105 -3,-0.0 3,-0.1 2,-0.0 -3,-0.0 0.420 69.1 123.2 -76.1 -1.8 -4.4 13.6 46.9 222 240 A F S < S- 0 0 9 -3,-2.3 -19,-0.0 1,-0.1 -4,-0.0 -0.405 73.7-105.4 -59.0 136.4 -1.9 15.2 44.4 223 241 A P - 0 0 54 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.292 29.1-124.2 -63.7 148.6 1.6 13.9 45.2 224 242 A K + 0 0 167 -3,-0.1 2,-0.3 -22,-0.1 -25,-0.0 -0.834 35.0 178.5-100.8 99.5 3.9 16.5 46.9 225 243 A W - 0 0 92 -2,-0.9 -22,-2.4 -27,-0.0 2,-0.1 -0.775 26.4-119.7 -98.6 146.7 7.1 17.0 44.9 226 244 A A - 0 0 87 -2,-0.3 -24,-0.5 -24,-0.2 2,-0.1 -0.454 33.9-102.1 -81.0 153.0 9.9 19.5 45.8 227 245 A R - 0 0 111 -26,-0.3 2,-0.3 -2,-0.1 -26,-0.2 -0.499 31.3-137.0 -74.2 148.0 10.9 22.3 43.4 228 246 A Q - 0 0 58 -28,-2.9 2,-0.2 -2,-0.1 -1,-0.0 -0.723 24.3-103.7-100.3 156.1 14.1 22.0 41.2 229 247 A D >> - 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