==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN KINASE 11-MAY-00 1E1V . COMPND 2 MOLECULE: CYCLIN-DEPENDENT PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.A.ENDICOTT,M.E.M.NOBLE,L.N.JOHNSON . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14067.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 66.2 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 . 41 14.1 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 . 22 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 26.9 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 2 2 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 . 2 1 1 0 2 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 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 47 0, 0.0 3,-2.8 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 -19.2 -12.9 31.3 -2.9 2 2 A E T 3 + 0 0 153 1,-0.3 22,-0.0 3,-0.0 0, 0.0 0.675 360.0 68.4 -59.9 -13.1 -12.7 31.4 -6.7 3 3 A N T 3 S+ 0 0 77 21,-0.1 21,-3.0 20,-0.1 22,-0.5 0.375 94.7 70.9 -81.5 -4.2 -10.4 34.3 -6.2 4 4 A F E < -A 23 0A 19 -3,-2.8 2,-0.6 19,-0.3 19,-0.2 -0.987 62.5-161.0-124.5 131.7 -7.8 32.0 -4.7 5 5 A Q E -A 22 0A 123 17,-2.2 17,-3.4 -2,-0.4 2,-0.2 -0.948 26.1-130.0-107.0 121.5 -5.7 29.3 -6.3 6 6 A K E -A 21 0A 119 -2,-0.6 15,-0.3 15,-0.3 3,-0.1 -0.560 24.0-176.2 -70.5 131.0 -4.4 26.8 -3.9 7 7 A V E - 0 0 79 13,-3.4 2,-0.3 1,-0.5 14,-0.2 0.828 62.5 -27.2 -95.2 -52.0 -0.7 26.3 -4.3 8 8 A E E -A 20 0A 105 12,-1.2 12,-2.8 3,-0.0 -1,-0.5 -0.955 64.4 -97.0-157.6 165.4 0.0 23.6 -1.8 9 9 A K E -A 19 0A 104 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.802 32.9-171.8 -86.2 126.9 -1.3 22.3 1.4 10 10 A I E - 0 0 53 8,-3.3 2,-0.3 -2,-0.5 9,-0.2 0.685 54.3 -67.6 -89.9 -38.3 0.9 23.9 4.1 11 11 A G E -A 18 0A 24 7,-1.7 7,-2.9 -3,-0.1 2,-0.6 -0.990 49.0 -69.8 175.1-171.6 -0.6 21.8 6.9 12 12 A E E -A 17 0A 80 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.951 50.7-169.4-112.4 105.6 -3.4 20.7 9.2 13 13 A G - 0 0 18 3,-2.0 139,-0.5 -2,-0.6 140,-0.2 -0.279 40.9 -88.8 -87.5-176.7 -4.1 23.5 11.6 14 14 A T S S+ 0 0 11 1,-0.2 138,-0.9 137,-0.1 139,-0.1 0.971 124.7 29.5 -53.7 -54.5 -6.3 23.5 14.7 15 15 A Y S S- 0 0 35 136,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.601 127.9 -41.3 -89.8 -12.7 -9.4 24.5 12.7 16 16 A G S S- 0 0 8 19,-0.2 -3,-2.0 -3,-0.1 -1,-0.1 -0.939 82.4 -40.9 167.7 179.6 -8.9 23.1 9.2 17 17 A V E -A 12 0A 13 -2,-0.3 17,-1.8 -5,-0.2 2,-0.5 -0.302 50.5-142.4 -68.2 145.7 -6.5 22.6 6.4 18 18 A V E -AB 11 33A 14 -7,-2.9 -8,-3.3 15,-0.2 -7,-1.7 -0.966 19.5-167.6-112.0 124.8 -4.1 25.5 5.8 19 19 A Y E -AB 9 32A 57 13,-3.1 13,-3.9 -2,-0.5 2,-0.5 -0.920 25.3-133.9-112.4 148.2 -3.3 26.2 2.2 20 20 A K E +AB 8 31A 41 -12,-2.8 -13,-3.4 -2,-0.4 -12,-1.2 -0.816 46.6 172.6 -86.3 130.0 -0.6 28.4 0.6 21 21 A A E -AB 6 30A 0 9,-2.8 9,-2.7 -2,-0.5 2,-0.5 -0.962 32.2-129.1-138.5 162.6 -2.8 30.1 -2.0 22 22 A R E -AB 5 29A 120 -17,-3.4 -17,-2.2 -2,-0.3 2,-0.7 -0.953 22.3-127.6-116.0 128.8 -2.4 32.9 -4.5 23 23 A N E > -A 4 0A 22 5,-3.5 4,-2.3 -2,-0.5 3,-0.4 -0.655 18.1-152.8 -71.3 111.6 -5.0 35.7 -4.7 24 24 A K T 4 S+ 0 0 112 -21,-3.0 -1,-0.2 -2,-0.7 -20,-0.1 0.887 90.6 37.2 -58.1 -39.1 -6.0 35.7 -8.4 25 25 A L T 4 S+ 0 0 150 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.627 124.8 36.3 -98.9 -3.7 -6.9 39.5 -8.4 26 26 A T T 4 S- 0 0 96 -3,-0.4 -2,-0.2 -23,-0.3 -1,-0.2 0.624 93.3-131.9-111.3 -15.4 -4.2 40.9 -6.1 27 27 A G < + 0 0 37 -4,-2.3 -3,-0.1 1,-0.2 -2,-0.1 0.296 58.9 144.7 81.6 -17.0 -1.3 38.6 -7.1 28 28 A E - 0 0 72 -5,-0.1 -5,-3.5 -6,-0.1 2,-0.5 -0.257 48.5-139.1 -60.9 139.9 -0.7 38.1 -3.3 29 29 A V E +B 22 0A 42 -7,-0.2 46,-0.6 -3,-0.1 2,-0.3 -0.883 37.9 168.2-103.1 124.0 0.6 34.8 -1.9 30 30 A V E -BC 21 74A 0 -9,-2.7 -9,-2.8 -2,-0.5 2,-0.5 -0.896 42.7-110.2-131.9 171.9 -1.3 34.1 1.2 31 31 A A E -BC 20 73A 9 42,-2.8 42,-2.8 -2,-0.3 2,-0.5 -0.957 35.3-157.2-105.4 123.0 -2.1 31.4 3.8 32 32 A L E -BC 19 72A 3 -13,-3.9 -13,-3.1 -2,-0.5 2,-0.6 -0.924 6.1-166.2-109.3 124.3 -5.7 30.3 3.4 33 33 A K E -BC 18 71A 25 38,-3.1 38,-2.1 -2,-0.5 2,-0.5 -0.939 9.0-155.4-114.0 117.5 -7.3 28.7 6.4 34 34 A K E C 0 70A 105 -17,-1.8 36,-0.2 -2,-0.6 -2,-0.0 -0.781 360.0 360.0 -86.9 124.9 -10.6 26.9 6.0 35 35 A I 0 0 53 34,-2.7 34,-0.6 -2,-0.5 -19,-0.2 -0.933 360.0 360.0 -91.9 360.0 -12.3 27.0 9.4 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 44 A V 0 0 57 0, 0.0 2,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 130.9 -20.8 30.2 10.7 38 45 A P > - 0 0 75 0, 0.0 4,-1.9 0, 0.0 3,-0.4 -0.320 360.0-129.7 -68.5 136.9 -22.1 31.7 14.0 39 46 A S H > S+ 0 0 60 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.853 108.9 58.6 -51.8 -39.3 -22.6 35.4 14.0 40 47 A T H > S+ 0 0 100 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.954 105.8 49.0 -59.2 -45.3 -20.6 35.7 17.2 41 48 A A H > S+ 0 0 1 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.868 110.5 52.0 -65.4 -34.9 -17.6 34.1 15.5 42 49 A I H X S+ 0 0 35 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.955 110.6 45.5 -69.2 -44.9 -17.9 36.5 12.6 43 50 A R H X S+ 0 0 156 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.915 114.4 49.2 -66.0 -36.2 -18.0 39.6 14.7 44 51 A E H X S+ 0 0 41 -4,-2.5 4,-1.6 2,-0.2 3,-0.3 0.958 112.2 47.8 -64.7 -49.6 -15.0 38.3 16.8 45 52 A I H >X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 3,-0.6 0.936 107.5 55.9 -55.9 -40.9 -13.0 37.5 13.7 46 53 A S H 3< S+ 0 0 41 -4,-2.8 4,-0.5 1,-0.3 -1,-0.2 0.882 103.7 55.4 -64.5 -30.8 -13.9 41.0 12.2 47 54 A L H >X S+ 0 0 100 -4,-1.6 3,-1.2 -3,-0.3 4,-0.6 0.902 101.8 58.3 -63.9 -35.0 -12.4 42.5 15.4 48 55 A L H X< S+ 0 0 13 -4,-1.6 3,-1.3 -3,-0.6 11,-0.3 0.891 90.9 70.8 -65.5 -32.4 -9.1 40.5 14.6 49 56 A K T 3< S+ 0 0 84 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.713 102.2 43.2 -59.8 -27.1 -8.9 42.2 11.2 50 57 A E T <4 S+ 0 0 157 -3,-1.2 2,-2.5 -4,-0.5 -1,-0.3 0.585 84.7 98.5 -91.5 -18.0 -8.0 45.5 12.9 51 58 A L << + 0 0 16 -3,-1.3 2,-0.5 -4,-0.6 8,-0.1 -0.432 59.6 169.0 -68.5 77.6 -5.5 44.0 15.5 52 59 A N + 0 0 69 -2,-2.5 5,-0.1 6,-0.1 6,-0.1 -0.779 8.5 142.2-105.2 129.2 -2.5 44.9 13.4 53 60 A H > - 0 0 44 3,-0.5 3,-1.9 -2,-0.5 54,-0.0 -0.967 56.4-114.3-159.4 147.4 1.0 44.7 14.6 54 61 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.689 117.2 48.8 -62.4 -16.3 4.3 43.7 13.0 55 62 A N T 3 S+ 0 0 9 48,-0.1 81,-2.5 80,-0.1 2,-0.4 0.118 98.2 85.3-111.0 23.5 4.7 40.6 15.2 56 63 A I B < S-e 136 0B 9 -3,-1.9 -3,-0.5 79,-0.3 81,-0.2 -0.987 91.0-114.9-122.3 120.9 1.1 39.6 14.4 57 64 A V - 0 0 6 79,-2.4 2,-0.1 -2,-0.4 82,-0.1 -0.387 45.1-111.8 -51.6 119.5 0.5 37.5 11.3 58 65 A K - 0 0 93 -2,-0.1 16,-2.9 -4,-0.1 2,-1.0 -0.389 17.4-140.0 -66.6 132.6 -1.6 40.0 9.3 59 66 A L E -D 73 0A 10 -11,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.816 24.3-178.2 -90.8 100.6 -5.2 38.9 8.9 60 67 A L E - 0 0 28 12,-1.6 2,-0.3 -2,-1.0 13,-0.2 0.919 57.5 -13.6 -71.3 -46.1 -5.7 40.0 5.3 61 68 A D E -D 72 0A 84 11,-1.8 11,-3.6 -3,-0.1 2,-0.6 -0.994 46.9-140.9-158.4 154.1 -9.3 39.0 4.8 62 69 A V E -D 71 0A 22 -2,-0.3 2,-0.7 9,-0.2 9,-0.2 -0.992 23.6-160.2-112.9 114.8 -12.1 37.1 6.3 63 70 A I E -D 70 0A 33 7,-4.1 7,-2.9 -2,-0.6 2,-0.7 -0.895 9.6-176.3-104.4 116.1 -14.2 35.4 3.6 64 71 A H E +D 69 0A 96 -2,-0.7 2,-0.3 5,-0.2 5,-0.2 -0.855 25.2 145.3-105.0 94.6 -17.6 34.4 4.7 65 72 A T E > +D 68 0A 54 3,-1.3 3,-3.0 -2,-0.7 -2,-0.0 -0.915 60.9 0.3-132.3 153.4 -19.2 32.5 1.7 66 73 A E T 3 S- 0 0 123 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.837 126.2 -59.7 45.6 47.6 -21.7 29.5 1.4 67 74 A N T 3 S+ 0 0 141 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.839 117.1 118.1 57.5 16.9 -21.9 29.2 5.2 68 75 A K E < - D 0 65A 91 -3,-3.0 -3,-1.3 -31,-0.1 2,-0.5 -0.862 56.1-145.6-129.4 146.1 -18.1 28.6 5.1 69 76 A L E + D 0 64A 3 -34,-0.6 -34,-2.7 -2,-0.3 2,-0.4 -0.969 15.8 179.8-124.7 123.6 -15.5 30.7 6.7 70 77 A Y E -CD 34 63A 25 -7,-2.9 -7,-4.1 -2,-0.5 2,-0.5 -0.991 11.1-158.9-122.0 125.3 -12.0 31.3 5.2 71 78 A L E -CD 33 62A 0 -38,-2.1 -38,-3.1 -2,-0.4 2,-0.5 -0.949 6.8-155.8-106.7 132.6 -9.4 33.4 6.8 72 79 A V E -CD 32 61A 2 -11,-3.6 -11,-1.8 -2,-0.5 -12,-1.6 -0.946 18.9-178.3-108.4 124.6 -6.7 34.8 4.5 73 80 A F E -CD 31 59A 9 -42,-2.8 -42,-2.8 -2,-0.5 -14,-0.2 -0.879 36.0 -88.6-119.1 163.5 -3.5 35.6 6.4 74 81 A E E -C 30 0A 44 -16,-2.9 2,-0.5 -2,-0.3 -44,-0.2 -0.227 48.5-120.7 -63.7 148.1 -0.2 37.0 5.4 75 82 A F - 0 0 39 -46,-0.6 2,-0.2 -45,-0.0 -46,-0.1 -0.860 29.6-177.0-100.2 129.3 2.2 34.2 4.3 76 83 A L - 0 0 10 -2,-0.5 53,-0.2 53,-0.1 3,-0.1 -0.647 30.9-122.7-108.7 174.2 5.4 33.7 6.1 77 84 A H S S+ 0 0 99 51,-0.9 2,-0.3 -2,-0.2 52,-0.2 0.801 80.5 16.1-104.7 -6.2 7.9 31.1 5.0 78 85 A Q E -F 128 0B 37 50,-1.5 50,-3.3 4,-0.0 2,-0.2 -0.994 60.0-132.8-155.1 152.6 8.3 28.9 8.0 79 86 A D E > -F 127 0B 17 -2,-0.3 4,-2.1 48,-0.3 48,-0.3 -0.627 35.0-113.1 -91.8 159.3 6.8 28.1 11.4 80 87 A L H > S+ 0 0 0 46,-3.2 4,-2.5 43,-1.2 44,-0.2 0.710 112.0 60.8 -66.4 -24.5 9.0 27.9 14.5 81 88 A K H > S+ 0 0 38 42,-0.6 4,-3.2 45,-0.2 5,-0.2 0.958 108.5 43.6 -67.0 -47.8 8.6 24.1 15.0 82 89 A K H > S+ 0 0 97 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.920 114.9 49.9 -57.4 -44.5 10.1 23.4 11.6 83 90 A F H X S+ 0 0 1 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.896 112.5 46.6 -65.8 -38.5 12.8 26.0 12.3 84 91 A M H < S+ 0 0 18 -4,-2.5 3,-0.4 2,-0.2 -2,-0.2 0.925 112.6 50.1 -65.5 -45.2 13.6 24.4 15.6 85 92 A D H >< S+ 0 0 108 -4,-3.2 3,-1.1 1,-0.3 -2,-0.2 0.900 113.1 47.1 -57.3 -46.9 13.6 20.9 14.1 86 93 A A H 3< S+ 0 0 68 -4,-2.9 -1,-0.3 1,-0.2 3,-0.2 0.642 115.0 46.0 -65.6 -26.7 15.9 22.1 11.4 87 94 A S T >X S+ 0 0 4 -4,-1.0 4,-2.5 -3,-0.4 3,-0.5 0.241 79.4 112.4 -99.6 10.0 18.2 23.8 14.0 88 95 A A T <4 + 0 0 52 -3,-1.1 -1,-0.1 1,-0.2 -2,-0.1 0.767 67.4 60.1 -53.6 -35.8 18.2 20.8 16.3 89 96 A L T 34 S+ 0 0 168 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.849 129.3 8.1 -68.4 -41.5 21.9 19.9 15.9 90 97 A T T <4 S- 0 0 120 -3,-0.5 -2,-0.2 1,-0.1 -1,-0.2 0.430 104.8-133.1-113.5 -6.8 23.4 23.2 17.1 91 98 A G < - 0 0 6 -4,-2.5 -3,-0.1 -7,-0.1 -1,-0.1 -0.017 41.4 -52.6 72.1 163.2 20.1 24.8 18.3 92 99 A I - 0 0 12 97,-0.6 5,-0.0 1,-0.1 -8,-0.0 -0.690 67.7-105.6 -74.0 125.0 19.0 28.3 17.6 93 100 A P >> - 0 0 71 0, 0.0 4,-2.2 0, 0.0 3,-1.1 -0.349 28.8-117.8 -55.9 144.9 21.7 30.8 18.5 94 101 A L H 3> S+ 0 0 60 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.791 111.6 55.2 -55.7 -46.5 20.9 32.7 21.7 95 102 A P H 3> S+ 0 0 68 0, 0.0 4,-2.0 0, 0.0 188,-0.4 0.835 110.8 47.7 -59.9 -29.0 20.7 36.2 20.1 96 103 A L H <> S+ 0 0 5 -3,-1.1 4,-3.4 2,-0.2 5,-0.3 0.941 111.1 49.1 -74.9 -44.2 18.1 34.8 17.7 97 104 A I H X S+ 0 0 4 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.939 113.0 49.2 -53.8 -46.7 16.1 33.2 20.5 98 105 A K H X S+ 0 0 10 -4,-3.0 4,-2.6 -5,-0.2 -1,-0.2 0.931 111.2 49.1 -63.1 -42.0 16.3 36.5 22.4 99 106 A S H X S+ 0 0 2 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.931 113.9 44.8 -66.0 -42.0 15.2 38.4 19.3 100 107 A Y H X S+ 0 0 0 -4,-3.4 4,-3.4 2,-0.2 5,-0.3 0.963 114.3 48.8 -64.8 -44.6 12.2 36.1 18.7 101 108 A L H X S+ 0 0 0 -4,-3.0 4,-2.7 -5,-0.3 5,-0.2 0.953 113.0 50.0 -57.9 -44.3 11.3 36.0 22.3 102 109 A F H X S+ 0 0 47 -4,-2.6 4,-1.6 -5,-0.3 -1,-0.2 0.921 113.5 42.9 -63.1 -40.7 11.5 39.8 22.3 103 110 A Q H X S+ 0 0 10 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.873 111.7 54.5 -76.1 -34.3 9.4 40.3 19.3 104 111 A L H X S+ 0 0 0 -4,-3.4 4,-3.4 1,-0.2 -2,-0.2 0.944 108.3 50.7 -62.4 -39.4 6.8 37.6 20.4 105 112 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.3 -1,-0.2 0.888 108.6 50.8 -64.7 -43.4 6.5 39.6 23.7 106 113 A Q H X S+ 0 0 61 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.924 111.0 49.0 -58.5 -48.7 5.9 42.8 21.6 107 114 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.966 114.7 45.5 -52.9 -50.7 3.2 40.9 19.7 108 115 A L H X S+ 0 0 0 -4,-3.4 4,-3.4 2,-0.2 5,-0.3 0.933 110.3 52.5 -56.4 -49.9 1.7 39.7 23.0 109 116 A A H X S+ 0 0 4 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.907 111.0 49.6 -57.6 -43.6 1.9 43.2 24.7 110 117 A F H X S+ 0 0 41 -4,-2.3 4,-0.9 -5,-0.2 -1,-0.2 0.977 116.3 38.6 -59.3 -59.0 0.1 44.6 21.7 111 118 A C H ><>S+ 0 0 0 -4,-2.5 3,-2.0 1,-0.2 5,-1.6 0.971 115.6 52.7 -62.5 -48.9 -2.7 42.0 21.7 112 119 A H H ><5S+ 0 0 14 -4,-3.4 3,-1.8 1,-0.3 -1,-0.2 0.791 101.9 59.7 -55.0 -35.4 -3.0 41.9 25.5 113 120 A S H 3<5S+ 0 0 59 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.806 108.7 45.3 -66.5 -19.8 -3.3 45.7 25.6 114 121 A H T <<5S- 0 0 106 -3,-2.0 -1,-0.3 -4,-0.9 -2,-0.2 0.152 122.1-110.9-102.2 12.3 -6.5 45.3 23.4 115 122 A R T < 5S+ 0 0 185 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.769 73.4 136.1 65.7 32.9 -7.6 42.4 25.7 116 123 A V < - 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