==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-NOV-99 1DI8 . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.SHEWCHUK,A.HASSELL,L.F.KUYPER . 283 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14372.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 64.3 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 13.8 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 . 23 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 26.5 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 4 0 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 58 0, 0.0 3,-0.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -20.3 -19.8 50.5 26.5 2 2 A E + 0 0 159 1,-0.2 22,-0.0 3,-0.1 0, 0.0 0.704 360.0 59.6 -85.7 -23.5 -23.6 51.0 26.9 3 3 A N S S+ 0 0 106 21,-0.1 21,-1.9 20,-0.0 22,-0.5 0.326 96.2 78.2 -87.2 6.9 -23.6 53.9 24.5 4 4 A F E -A 23 0A 20 -3,-0.5 2,-1.2 19,-0.2 19,-0.2 -0.970 63.3-153.4-126.3 131.2 -22.2 51.8 21.7 5 5 A Q E -A 22 0A 110 17,-2.4 17,-0.6 -2,-0.4 -3,-0.1 -0.694 28.9-140.0 -97.5 79.9 -24.0 49.4 19.4 6 6 A K E -A 21 0A 107 -2,-1.2 15,-0.3 -5,-0.2 3,-0.1 -0.126 22.1-176.2 -42.9 122.1 -21.0 47.1 18.5 7 7 A V E - 0 0 62 13,-3.0 2,-0.3 1,-0.4 14,-0.2 0.929 58.8 -18.0 -87.8 -61.5 -21.4 46.3 14.8 8 8 A E E -A 20 0A 119 12,-1.1 12,-2.7 3,-0.0 2,-0.8 -0.960 64.9-103.4-145.5 161.5 -18.6 43.9 14.1 9 9 A K E -A 19 0A 108 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.807 29.0-169.0 -90.1 113.3 -15.3 42.8 15.6 10 10 A I E - 0 0 89 8,-1.8 9,-0.2 -2,-0.8 2,-0.2 0.640 53.9 -75.2 -77.8 -16.2 -12.6 44.5 13.5 11 11 A G E -A 18 0A 18 7,-1.2 7,-3.0 -3,-0.1 2,-0.3 -0.548 43.2 -80.5 136.7 158.0 -9.8 42.5 15.1 12 12 A E E -A 17 0A 124 5,-0.2 5,-0.3 -2,-0.2 2,-0.2 -0.667 42.7-169.2 -91.1 145.7 -7.6 41.9 18.1 13 13 A G - 0 0 37 3,-3.0 3,-0.5 -2,-0.3 -2,-0.0 -0.637 42.0 -88.3-124.5-176.7 -4.5 44.0 18.7 14 14 A T S S+ 0 0 87 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.765 129.0 28.0 -64.5 -24.8 -1.4 44.1 20.9 15 15 A Y S S- 0 0 58 1,-0.3 21,-2.8 21,-0.1 2,-0.3 0.316 128.5 -46.1-120.4 7.7 -3.4 46.0 23.5 16 16 A G E - B 0 35A 7 -3,-0.5 -3,-3.0 19,-0.3 2,-0.4 -0.916 66.8 -54.3 153.9 179.3 -7.0 44.9 22.9 17 17 A V E -AB 12 34A 27 17,-1.0 17,-2.6 -2,-0.3 2,-0.4 -0.742 40.8-151.0 -94.5 137.9 -9.9 44.1 20.6 18 18 A V E -AB 11 33A 30 -7,-3.0 -8,-1.8 -2,-0.4 -7,-1.2 -0.906 13.7-172.2-110.4 134.2 -11.2 46.7 18.2 19 19 A Y E -AB 9 32A 43 13,-3.0 13,-3.3 -2,-0.4 2,-0.5 -0.923 28.8-123.6-124.7 152.1 -14.8 46.9 17.1 20 20 A K E +AB 8 31A 58 -12,-2.7 -13,-3.0 -2,-0.3 -12,-1.1 -0.819 49.2 175.5 -86.9 128.9 -16.7 48.9 14.5 21 21 A A E -AB 6 30A 0 9,-2.7 9,-3.2 -2,-0.5 2,-0.5 -0.969 31.9-133.1-140.9 157.0 -19.3 50.5 16.6 22 22 A R E -AB 5 29A 99 -17,-0.6 -17,-2.4 -2,-0.3 2,-1.0 -0.925 24.4-126.8-111.3 131.5 -22.1 53.1 16.3 23 23 A N E > -A 4 0A 22 5,-3.1 4,-3.5 -2,-0.5 5,-0.3 -0.674 16.3-151.1 -77.5 102.9 -22.5 55.8 18.9 24 24 A K T 4 S+ 0 0 137 -21,-1.9 -1,-0.2 -2,-1.0 -20,-0.1 0.796 92.6 43.7 -44.0 -34.3 -26.1 55.4 20.0 25 25 A L T 4 S+ 0 0 153 -22,-0.5 -1,-0.1 1,-0.1 -21,-0.0 0.966 126.1 23.6 -74.8 -82.4 -26.2 59.2 20.7 26 26 A T T 4 S- 0 0 82 1,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.732 94.2-135.1 -57.7 -26.5 -24.5 60.9 17.8 27 27 A G < + 0 0 35 -4,-3.5 -3,-0.1 1,-0.3 2,-0.1 0.540 56.1 142.6 80.1 5.4 -25.2 58.0 15.4 28 28 A E - 0 0 84 -5,-0.3 -5,-3.1 -6,-0.1 2,-0.5 -0.460 52.8-121.8 -80.2 151.6 -21.6 58.2 14.2 29 29 A V E +B 22 0A 47 -7,-0.2 48,-0.6 -2,-0.1 2,-0.3 -0.812 41.4 166.6 -94.7 131.4 -19.6 55.1 13.3 30 30 A V E -BC 21 76A 2 -9,-3.2 -9,-2.7 -2,-0.5 2,-0.6 -0.818 41.7-106.7-136.7 174.8 -16.3 54.7 15.2 31 31 A A E -BC 20 75A 14 44,-2.7 44,-2.9 -2,-0.3 2,-0.6 -0.947 35.7-159.3-107.1 113.7 -13.6 52.2 16.0 32 32 A L E -BC 19 74A 1 -13,-3.3 -13,-3.0 -2,-0.6 2,-0.5 -0.851 4.5-164.7-100.1 123.8 -14.0 51.1 19.6 33 33 A K E -BC 18 73A 6 40,-3.2 40,-2.5 -2,-0.6 2,-0.8 -0.921 7.3-157.9-113.3 119.9 -10.9 49.7 21.4 34 34 A K E -BC 17 72A 47 -17,-2.6 -17,-1.0 -2,-0.5 38,-0.2 -0.843 22.4-133.9 -95.9 109.9 -11.2 47.7 24.6 35 35 A I E B 16 0A 19 36,-2.5 36,-0.4 -2,-0.8 -19,-0.3 -0.438 360.0 360.0 -66.4 130.9 -7.8 47.8 26.4 36 36 A R 0 0 117 -21,-2.8 -1,-0.1 -2,-0.2 -20,-0.1 0.972 360.0 360.0 -70.4 360.0 -6.8 44.3 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 43 A G 0 0 96 0, 0.0 32,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 159.8 -7.5 49.1 38.2 39 44 A V - 0 0 32 1,-0.1 5,-0.1 2,-0.0 31,-0.1 -0.608 360.0-105.3 -75.2 124.3 -6.2 51.0 35.2 40 45 A P > - 0 0 78 0, 0.0 4,-2.1 0, 0.0 5,-0.1 -0.206 18.5-138.6 -50.6 133.4 -2.8 52.6 36.1 41 46 A S H > S+ 0 0 55 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.869 104.0 60.2 -61.7 -37.3 -3.1 56.3 36.6 42 47 A T H > S+ 0 0 87 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.920 106.5 45.4 -56.1 -46.9 0.1 56.8 34.7 43 48 A A H > S+ 0 0 2 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.910 109.1 56.7 -63.3 -43.8 -1.4 55.2 31.6 44 49 A I H X S+ 0 0 36 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.941 111.9 41.7 -51.8 -52.1 -4.6 57.3 32.1 45 50 A R H X S+ 0 0 166 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.870 113.6 53.0 -65.3 -38.8 -2.5 60.4 32.0 46 51 A E H X S+ 0 0 86 -4,-2.4 4,-1.4 -5,-0.2 3,-0.3 0.935 110.5 47.3 -62.3 -47.5 -0.3 59.1 29.1 47 52 A I H X S+ 0 0 0 -4,-3.3 4,-1.3 1,-0.2 3,-0.5 0.941 106.5 56.6 -58.8 -50.2 -3.4 58.4 27.0 48 53 A S H < S+ 0 0 53 -4,-2.3 4,-0.4 -5,-0.3 -1,-0.2 0.840 103.7 56.9 -50.9 -35.0 -4.9 61.8 27.7 49 54 A L H >< S+ 0 0 97 -4,-1.4 3,-1.7 -3,-0.3 -1,-0.3 0.929 101.4 53.9 -63.3 -47.1 -1.7 63.2 26.3 50 55 A L H >< S+ 0 0 10 -4,-1.4 3,-1.9 -3,-0.5 11,-0.3 0.775 94.7 71.7 -59.0 -27.5 -2.2 61.4 23.0 51 56 A K T 3< S+ 0 0 58 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.753 97.0 49.2 -62.5 -24.7 -5.7 62.9 22.7 52 57 A E T < S+ 0 0 139 -3,-1.7 2,-1.0 -4,-0.4 -1,-0.3 0.235 85.5 99.8 -98.3 12.9 -4.1 66.3 21.9 53 58 A L < + 0 0 8 -3,-1.9 2,-0.4 8,-0.1 8,-0.2 -0.710 53.6 171.8-100.6 82.2 -1.8 64.8 19.3 54 59 A N + 0 0 91 -2,-1.0 5,-0.1 6,-0.1 -3,-0.0 -0.787 7.4 146.1-100.0 134.7 -3.7 65.7 16.0 55 60 A H > - 0 0 45 -2,-0.4 3,-1.8 3,-0.4 -2,-0.0 -0.969 54.2-114.2-160.4 146.3 -2.3 65.3 12.5 56 61 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.756 115.4 47.2 -54.5 -28.7 -3.7 64.4 9.1 57 62 A N T 3 S+ 0 0 8 48,-0.1 81,-2.3 80,-0.1 2,-0.4 0.085 96.8 82.2-106.8 24.9 -1.8 61.1 9.0 58 63 A I B < S-e 138 0B 2 -3,-1.8 -3,-0.4 79,-0.3 2,-0.3 -0.997 87.3-110.0-129.7 129.5 -2.6 59.9 12.5 59 64 A V - 0 0 4 79,-2.7 2,-0.2 -2,-0.4 81,-0.1 -0.418 45.0-117.6 -58.7 117.6 -5.8 58.0 13.4 60 65 A K - 0 0 50 -2,-0.3 16,-2.2 -4,-0.1 2,-0.8 -0.404 14.5-140.1 -66.7 126.4 -7.7 60.5 15.6 61 66 A L E +D 75 0A 3 -11,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.794 24.4 178.9 -86.5 111.4 -8.3 59.5 19.1 62 67 A L E - 0 0 50 12,-2.6 2,-0.3 -2,-0.8 13,-0.2 0.915 56.1 -0.2 -82.3 -49.4 -11.8 60.8 19.8 63 68 A D E -D 74 0A 80 11,-1.5 11,-3.1 2,-0.0 2,-0.6 -0.998 49.1-146.8-148.0 150.2 -12.6 59.8 23.4 64 69 A V E -D 73 0A 36 -2,-0.3 2,-0.7 9,-0.2 9,-0.2 -0.970 19.6-162.4-116.9 112.4 -11.1 57.9 26.3 65 70 A I E +D 72 0A 36 7,-2.9 7,-2.6 -2,-0.6 2,-0.6 -0.869 13.6 173.6-103.1 111.2 -13.8 56.1 28.3 66 71 A H E +D 71 0A 83 -2,-0.7 2,-0.3 5,-0.2 5,-0.2 -0.866 24.2 135.9-117.8 93.7 -12.6 55.1 31.8 67 72 A T E > +D 70 0A 70 3,-1.2 3,-2.0 -2,-0.6 -2,-0.0 -0.974 62.0 12.2-139.4 153.8 -15.6 53.7 33.7 68 73 A E T 3 S- 0 0 172 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.863 128.3 -64.8 48.0 41.1 -16.1 50.7 36.0 69 74 A N T 3 S+ 0 0 116 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.826 112.5 123.0 51.8 34.9 -12.3 50.3 36.1 70 75 A K E < - D 0 67A 73 -3,-2.0 -3,-1.2 -32,-0.1 2,-0.5 -0.914 52.9-144.5-123.3 150.9 -12.4 49.6 32.4 71 76 A L E + D 0 66A 5 -36,-0.4 -36,-2.5 -2,-0.3 2,-0.4 -0.946 20.7 169.6-125.8 115.5 -10.6 51.4 29.6 72 77 A Y E -CD 34 65A 24 -7,-2.6 -7,-2.9 -2,-0.5 2,-0.4 -0.936 16.9-154.5-119.9 143.2 -12.1 51.9 26.1 73 78 A L E -CD 33 64A 0 -40,-2.5 -40,-3.2 -2,-0.4 2,-0.6 -0.968 6.0-150.6-119.1 133.7 -10.6 54.2 23.4 74 79 A V E +CD 32 63A 4 -11,-3.1 -12,-2.6 -2,-0.4 -11,-1.5 -0.928 20.4 179.8-107.1 118.1 -12.8 55.7 20.7 75 80 A F E -CD 31 61A 20 -44,-2.9 -44,-2.7 -2,-0.6 -14,-0.2 -0.803 36.6 -94.2-115.2 156.7 -11.0 56.3 17.4 76 81 A E E -C 30 0A 49 -16,-2.2 2,-0.4 -2,-0.3 -46,-0.2 -0.359 48.1-115.2 -64.0 152.6 -12.2 57.8 14.1 77 82 A F - 0 0 67 -48,-0.6 2,-0.3 -47,-0.0 -1,-0.1 -0.781 30.5-162.4 -96.8 132.9 -13.3 55.0 11.7 78 83 A L - 0 0 16 -2,-0.4 53,-0.1 1,-0.1 3,-0.1 -0.750 24.0-118.4-113.1 163.7 -11.4 54.4 8.4 79 84 A H S S- 0 0 76 51,-0.4 2,-0.3 -2,-0.3 52,-0.2 0.836 79.8 -16.9 -68.1 -41.4 -12.3 52.5 5.3 80 85 A Q E -F 130 0B 16 50,-1.8 50,-2.7 203,-0.0 2,-0.3 -0.980 59.7-113.4-161.1 163.0 -9.6 49.8 5.0 81 86 A D E > -F 129 0B 48 -2,-0.3 4,-1.9 48,-0.2 3,-0.3 -0.767 30.6-116.7-104.2 153.4 -6.2 48.6 6.3 82 87 A L H > S+ 0 0 0 46,-3.1 4,-3.1 43,-0.7 5,-0.2 0.817 111.0 58.8 -58.0 -35.1 -3.1 48.4 4.1 83 88 A K H > S+ 0 0 69 42,-0.8 4,-2.3 45,-0.3 -1,-0.2 0.941 108.8 44.3 -61.4 -46.3 -2.7 44.6 4.5 84 89 A K H > S+ 0 0 112 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.881 114.5 50.5 -65.3 -37.1 -6.1 44.0 3.1 85 90 A F H X S+ 0 0 9 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.917 109.6 49.7 -66.8 -44.2 -5.4 46.5 0.3 86 91 A M H < S+ 0 0 20 -4,-3.1 3,-0.4 1,-0.2 4,-0.2 0.906 110.4 51.1 -61.3 -41.1 -2.1 44.9 -0.5 87 92 A D H >< S+ 0 0 92 -4,-2.3 3,-1.5 1,-0.2 4,-0.3 0.924 108.4 50.9 -62.2 -43.2 -3.8 41.5 -0.7 88 93 A A H 3< S+ 0 0 73 -4,-2.1 -1,-0.2 1,-0.3 3,-0.2 0.726 114.0 45.9 -67.0 -19.2 -6.4 42.8 -3.0 89 94 A S T >X S+ 0 0 18 -4,-1.1 4,-3.8 -3,-0.4 3,-0.7 0.291 79.6 112.0-104.7 7.6 -3.6 44.2 -5.2 90 95 A A T <4 S+ 0 0 53 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.823 73.7 51.7 -49.7 -42.3 -1.5 41.0 -5.1 91 96 A L T 34 S+ 0 0 167 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.807 129.2 15.3 -71.0 -31.1 -2.0 40.1 -8.8 92 97 A T T <4 S- 0 0 119 -3,-0.7 -2,-0.2 1,-0.0 -1,-0.2 0.548 101.8-132.6-117.8 -14.6 -0.9 43.5 -10.3 93 98 A G < - 0 0 9 -4,-3.8 91,-0.1 -7,-0.2 -3,-0.1 0.095 36.9 -60.7 78.8 161.5 0.8 45.2 -7.3 94 99 A I - 0 0 14 89,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.651 61.4-107.1 -80.9 130.7 0.2 48.7 -6.0 95 100 A P >> - 0 0 77 0, 0.0 4,-1.9 0, 0.0 3,-1.4 -0.338 25.8-122.4 -59.8 136.7 1.1 51.4 -8.7 96 101 A L H 3> S+ 0 0 65 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.818 108.9 61.2 -49.9 -39.2 4.4 53.2 -7.8 97 102 A P H 3> S+ 0 0 69 0, 0.0 4,-1.3 0, 0.0 180,-0.4 0.874 109.8 43.0 -58.9 -33.8 2.7 56.6 -7.7 98 103 A L H <> S+ 0 0 6 -3,-1.4 4,-3.0 2,-0.2 5,-0.3 0.880 111.3 53.2 -77.5 -40.8 0.5 55.4 -4.9 99 104 A I H X S+ 0 0 5 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.948 111.3 47.7 -57.7 -47.0 3.3 53.6 -3.1 100 105 A K H X S+ 0 0 16 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.860 111.9 50.5 -63.0 -35.8 5.3 56.9 -3.2 101 106 A S H X S+ 0 0 3 -4,-1.3 4,-2.2 -5,-0.3 -2,-0.2 0.941 111.4 46.1 -68.6 -48.1 2.3 58.8 -2.0 102 107 A Y H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.902 113.2 49.8 -61.8 -41.7 1.6 56.5 1.0 103 108 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.933 109.9 51.2 -62.9 -44.9 5.3 56.5 2.0 104 109 A F H X S+ 0 0 54 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.913 113.3 44.8 -58.4 -45.3 5.5 60.3 1.8 105 110 A Q H X S+ 0 0 10 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.901 111.4 52.1 -67.6 -42.1 2.4 60.6 4.1 106 111 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.912 108.7 51.5 -61.0 -41.9 3.6 58.0 6.6 107 112 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.867 108.0 52.1 -63.5 -35.6 6.9 59.8 6.9 108 113 A Q H X S+ 0 0 67 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.925 110.7 49.1 -65.0 -42.4 5.0 63.1 7.6 109 114 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.909 114.1 44.1 -62.8 -43.3 3.1 61.2 10.3 110 115 A L H X S+ 0 0 2 -4,-2.6 4,-3.5 2,-0.2 5,-0.3 0.898 108.9 56.1 -69.6 -40.9 6.2 59.8 11.8 111 116 A A H X S+ 0 0 15 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.891 110.8 47.4 -57.3 -37.3 8.1 63.1 11.6 112 117 A F H X S+ 0 0 43 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.941 114.9 43.2 -68.3 -50.9 5.2 64.6 13.6 113 118 A C H ><>S+ 0 0 5 -4,-2.2 5,-2.9 1,-0.2 3,-0.6 0.937 114.8 50.5 -60.7 -47.3 5.1 61.9 16.2 114 119 A H H ><5S+ 0 0 28 -4,-3.5 3,-1.7 1,-0.2 -1,-0.2 0.841 104.1 57.2 -61.9 -34.3 8.9 61.8 16.5 115 120 A S H 3<5S+ 0 0 84 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.810 109.3 46.8 -67.1 -28.1 9.1 65.6 17.0 116 121 A H T <<5S- 0 0 101 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.131 121.5-113.4 -96.2 18.3 6.8 65.2 20.0 117 122 A R T < 5S+ 0 0 227 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.801 70.3 141.2 54.1 35.9 9.0 62.3 21.1 118 123 A V < - 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