==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 24-MAR-11 3R8U . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.BETZI,R.ALAM,H.HAN,A.BECKER,E.SCHONBRUNN . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14747.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 63.9 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 . 38 12.9 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 . 1 0.3 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 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 25.9 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 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 2 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 80 0, 0.0 5,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.4 -79.0 -129.7 -47.5 2 2 A E + 0 0 149 1,-0.1 22,-0.1 3,-0.1 3,-0.0 0.872 360.0 49.6 -91.9 -43.5 -79.5 -132.7 -49.8 3 3 A N S S+ 0 0 82 1,-0.1 21,-1.4 20,-0.1 22,-0.5 0.593 120.1 45.2 -69.5 -9.8 -78.2 -131.2 -53.1 4 4 A F E S-A 23 0A 11 19,-0.2 2,-0.9 20,-0.1 19,-0.2 -0.998 71.9-150.0-138.1 131.5 -75.2 -130.1 -51.1 5 5 A Q E -A 22 0A 95 17,-2.0 17,-0.7 -2,-0.4 -3,-0.1 -0.834 30.2-128.2-105.3 97.0 -73.1 -132.0 -48.6 6 6 A K E -A 21 0A 116 -2,-0.9 15,-0.3 -5,-0.2 3,-0.1 -0.072 24.9-175.5 -44.6 131.3 -71.7 -129.5 -46.1 7 7 A V E - 0 0 61 13,-3.3 2,-0.3 1,-0.4 14,-0.2 0.812 65.3 -32.8 -96.0 -45.7 -68.0 -129.7 -45.6 8 8 A E E -A 20 0A 120 12,-1.6 12,-3.0 3,-0.0 2,-0.5 -0.977 59.4 -96.4-169.2 160.9 -67.8 -127.1 -42.9 9 9 A K E -A 19 0A 133 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.764 29.1-164.7 -84.4 125.9 -69.2 -123.8 -41.6 10 10 A I E - 0 0 87 8,-2.8 2,-0.3 -2,-0.5 9,-0.2 0.791 51.1 -91.7 -81.8 -29.0 -67.0 -121.1 -42.9 11 11 A G E -A 18 0A 28 7,-1.3 7,-2.4 -3,-0.1 2,-0.5 -0.981 52.8 -48.4 151.4-159.2 -68.4 -118.6 -40.4 12 12 A E E -A 17 0A 83 -2,-0.3 5,-0.2 5,-0.2 2,-0.0 -0.941 49.5-165.8-118.7 118.7 -71.2 -116.0 -40.2 13 13 A G - 0 0 19 3,-2.7 5,-0.0 -2,-0.5 -2,-0.0 -0.149 41.4 -86.9 -89.2-172.6 -71.8 -113.5 -42.9 14 14 A T S S+ 0 0 17 1,-0.2 3,-0.1 142,-0.1 140,-0.1 0.929 127.5 28.7 -59.4 -45.8 -73.8 -110.3 -43.0 15 15 A Y S S- 0 0 36 1,-0.2 21,-3.4 141,-0.1 2,-0.3 0.487 128.7 -53.6 -98.6 -4.4 -76.9 -112.1 -44.1 16 16 A G S S- 0 0 4 19,-0.2 -3,-2.7 20,-0.1 -1,-0.2 -0.951 79.9 -27.7 157.1-176.7 -76.5 -115.5 -42.5 17 17 A V E -A 12 0A 18 -2,-0.3 17,-2.5 -5,-0.2 2,-0.4 -0.338 50.3-151.8 -66.3 147.4 -74.3 -118.6 -42.0 18 18 A V E -AB 11 33A 16 -7,-2.4 -8,-2.8 15,-0.2 -7,-1.3 -0.982 13.4-169.8-123.0 129.5 -71.9 -119.4 -44.9 19 19 A Y E -AB 9 32A 39 13,-2.8 13,-3.2 -2,-0.4 2,-0.6 -0.854 27.8-126.8-120.3 159.1 -70.8 -123.0 -45.5 20 20 A K E +AB 8 31A 58 -12,-3.0 -13,-3.3 -2,-0.3 -12,-1.6 -0.907 48.2 175.2 -96.3 122.9 -68.2 -124.7 -47.7 21 21 A A E -AB 6 30A 0 9,-2.6 9,-3.3 -2,-0.6 2,-0.5 -0.926 30.6-133.8-133.3 159.7 -70.3 -127.2 -49.5 22 22 A R E -AB 5 29A 87 -17,-0.7 -17,-2.0 -2,-0.3 2,-0.7 -0.960 20.8-130.9-116.4 129.9 -69.9 -129.8 -52.3 23 23 A N E >> -A 4 0A 26 5,-2.8 4,-4.5 -2,-0.5 3,-1.0 -0.679 12.9-155.2 -78.4 112.4 -72.4 -130.0 -55.1 24 24 A K T 34 S+ 0 0 119 -21,-1.4 -1,-0.2 -2,-0.7 -20,-0.1 0.735 92.4 56.1 -62.9 -19.2 -73.3 -133.7 -55.3 25 25 A L T 34 S+ 0 0 151 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.732 128.7 13.2 -84.1 -22.3 -74.3 -133.3 -58.9 26 26 A T T <4 S- 0 0 92 -3,-1.0 -2,-0.2 2,-0.2 3,-0.1 0.519 88.9-128.4-127.9 -15.8 -70.9 -131.9 -60.0 27 27 A G < + 0 0 42 -4,-4.5 2,-0.2 1,-0.3 -3,-0.2 0.569 59.3 149.8 73.8 5.4 -68.6 -132.5 -57.1 28 28 A E - 0 0 90 -5,-0.4 -5,-2.8 -6,-0.1 2,-0.4 -0.525 45.9-130.6 -75.4 135.9 -67.8 -128.8 -57.3 29 29 A V E +B 22 0A 49 -2,-0.2 50,-0.8 -7,-0.2 2,-0.3 -0.745 37.6 166.9 -89.5 131.3 -66.8 -127.1 -54.0 30 30 A V E -BC 21 78A 0 -9,-3.3 -9,-2.6 -2,-0.4 2,-0.6 -0.831 42.1-110.3-138.7 173.8 -68.6 -123.9 -53.3 31 31 A A E -BC 20 77A 11 46,-2.6 46,-2.7 -2,-0.3 2,-0.6 -0.953 35.3-161.4-107.1 115.2 -69.4 -121.2 -50.7 32 32 A L E -BC 19 76A 3 -13,-3.2 -13,-2.8 -2,-0.6 2,-0.5 -0.878 3.8-165.1-106.8 118.5 -73.1 -121.6 -49.8 33 33 A K E -BC 18 75A 32 42,-3.3 42,-3.0 -2,-0.6 2,-0.5 -0.885 8.3-150.4-108.6 124.1 -74.7 -118.6 -48.1 34 34 A K E - C 0 74A 44 -17,-2.5 2,-0.8 -2,-0.5 40,-0.2 -0.768 13.7-140.1 -89.1 128.7 -78.0 -118.8 -46.3 35 35 A I E C 0 73A 28 38,-3.1 38,-0.5 -2,-0.5 -19,-0.2 -0.826 360.0 360.0 -95.0 108.7 -80.0 -115.6 -46.4 36 36 A R 0 0 143 -21,-3.4 -20,-0.1 -2,-0.8 -1,-0.0 -0.116 360.0 360.0 -41.6 360.0 -81.6 -115.2 -42.9 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 41 A T 0 0 125 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 96.4 -87.7 -113.1 -42.6 39 42 A E - 0 0 197 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.018 360.0 -36.2-147.5 34.9 -91.4 -113.4 -43.6 40 43 A G S S- 0 0 43 31,-0.2 31,-0.1 2,-0.1 32,-0.0 0.234 88.5 -95.1 130.7 -15.1 -91.5 -114.9 -47.1 41 44 A V - 0 0 34 32,-0.0 5,-0.1 4,-0.0 31,-0.0 0.880 45.0-100.9 70.3 103.6 -88.5 -113.5 -48.9 42 45 A P > - 0 0 86 0, 0.0 4,-1.6 0, 0.0 3,-0.1 -0.211 18.7-144.1 -54.3 137.8 -89.2 -110.4 -51.1 43 46 A S H > S+ 0 0 54 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.829 101.1 62.8 -73.2 -32.4 -89.6 -111.1 -54.8 44 47 A T H > S+ 0 0 85 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.849 105.0 49.1 -60.0 -32.7 -87.9 -107.7 -55.6 45 48 A A H > S+ 0 0 2 2,-0.2 4,-3.1 3,-0.2 5,-0.4 0.951 108.4 51.0 -70.2 -50.6 -84.9 -109.3 -53.9 46 49 A I H X S+ 0 0 31 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.914 113.8 45.5 -52.8 -48.3 -85.0 -112.5 -55.8 47 50 A R H X S+ 0 0 158 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.934 115.1 46.3 -62.6 -48.7 -85.2 -110.6 -59.1 48 51 A E H >X S+ 0 0 61 -4,-2.1 4,-0.9 -5,-0.2 3,-0.8 0.968 114.9 45.6 -58.5 -57.4 -82.4 -108.2 -58.2 49 52 A I H >X S+ 0 0 0 -4,-3.1 3,-1.4 1,-0.3 4,-0.7 0.902 107.2 60.3 -52.7 -45.4 -80.1 -110.9 -56.9 50 53 A S H >< S+ 0 0 47 -4,-2.4 3,-1.1 -5,-0.4 4,-0.3 0.868 98.7 57.5 -52.7 -38.2 -80.9 -113.0 -60.0 51 54 A L H X< S+ 0 0 115 -4,-1.5 3,-1.4 -3,-0.8 -1,-0.3 0.809 95.7 65.8 -64.3 -26.8 -79.5 -110.1 -62.1 52 55 A L H X< S+ 0 0 25 -3,-1.4 3,-1.7 -4,-0.9 11,-0.3 0.769 82.5 74.7 -67.8 -23.3 -76.2 -110.4 -60.2 53 56 A K T << S+ 0 0 68 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.775 92.5 56.9 -58.9 -24.8 -75.6 -113.9 -61.6 54 57 A E T < S+ 0 0 153 -3,-1.4 2,-0.9 -4,-0.3 -1,-0.3 0.607 79.2 103.1 -83.9 -11.1 -74.7 -112.2 -64.9 55 58 A L < + 0 0 18 -3,-1.7 2,-0.5 -4,-0.3 8,-0.4 -0.595 49.1 168.7 -74.6 106.2 -72.0 -110.1 -63.4 56 59 A N + 0 0 99 -2,-0.9 5,-0.1 6,-0.1 -3,-0.0 -0.975 10.3 135.5-127.8 130.4 -68.7 -111.8 -64.5 57 60 A H > - 0 0 30 -2,-0.5 3,-2.1 3,-0.4 54,-0.0 -0.953 60.0-110.4-161.8 145.7 -65.2 -110.3 -64.2 58 61 A P T 3 S+ 0 0 87 0, 0.0 80,-0.1 0, 0.0 4,-0.1 0.657 117.4 48.8 -60.0 -14.7 -62.0 -111.9 -63.0 59 62 A N T 3 S+ 0 0 6 80,-0.1 81,-2.7 78,-0.1 2,-0.5 0.176 96.5 82.1-110.8 18.3 -62.0 -109.8 -59.8 60 63 A I B < S-e 140 0B 9 -3,-2.1 -3,-0.4 79,-0.3 2,-0.3 -0.987 85.3-118.3-122.9 126.4 -65.6 -110.5 -58.8 61 64 A V - 0 0 6 79,-2.5 81,-0.2 -2,-0.5 2,-0.2 -0.451 40.9-114.2 -60.3 123.1 -66.5 -113.7 -56.9 62 65 A K - 0 0 45 -2,-0.3 16,-2.4 1,-0.1 2,-1.0 -0.421 14.7-143.9 -69.4 131.0 -68.9 -115.5 -59.2 63 66 A L E -D 77 0A 8 -8,-0.4 14,-0.2 -11,-0.3 3,-0.1 -0.841 22.9-178.8 -91.8 101.0 -72.5 -115.9 -58.0 64 67 A L E - 0 0 45 12,-1.8 2,-0.3 -2,-1.0 13,-0.2 0.879 56.2 -0.9 -71.3 -42.0 -73.2 -119.3 -59.5 65 68 A D E -D 76 0A 78 11,-1.5 11,-2.8 2,-0.0 2,-0.5 -0.998 46.6-147.3-154.5 152.4 -76.8 -119.8 -58.4 66 69 A V E -D 75 0A 26 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.993 26.1-164.7-119.0 117.4 -79.7 -118.2 -56.5 67 70 A I E +D 74 0A 38 7,-3.1 7,-2.7 -2,-0.5 2,-0.7 -0.911 15.8 174.7-115.4 111.2 -81.8 -121.0 -54.8 68 71 A H E +D 73 0A 78 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.907 28.9 134.4-112.6 98.3 -85.2 -120.2 -53.6 69 72 A T E > +D 72 0A 62 3,-1.5 3,-2.2 -2,-0.7 -2,-0.1 -0.971 62.3 17.9-142.6 155.2 -86.7 -123.5 -52.4 70 73 A E T 3 S- 0 0 164 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.806 128.2 -70.1 51.6 30.0 -88.7 -124.5 -49.2 71 74 A N T 3 S+ 0 0 121 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.847 112.4 117.8 55.6 34.9 -89.2 -120.7 -48.8 72 75 A K E < - 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0 0 77 0, 0.0 4,-2.4 0, 0.0 3,-0.7 -0.247 26.8-120.1 -56.0 144.3 -44.8 -107.0 -49.9 98 101 A L H 3> S+ 0 0 76 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.864 111.6 56.9 -53.5 -41.6 -45.4 -103.7 -51.6 99 102 A P H 3> S+ 0 0 68 0, 0.0 4,-1.8 0, 0.0 188,-0.4 0.884 111.2 43.9 -61.0 -33.9 -45.6 -105.2 -55.1 100 103 A L H <> S+ 0 0 4 -3,-0.7 4,-3.1 2,-0.2 5,-0.2 0.885 110.9 52.8 -76.5 -40.3 -48.4 -107.5 -53.9 101 104 A I H X S+ 0 0 7 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.952 112.9 46.8 -56.5 -47.2 -50.2 -104.8 -52.0 102 105 A K H X S+ 0 0 13 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.861 111.7 49.8 -63.6 -40.3 -50.1 -102.8 -55.3 103 106 A S H X S+ 0 0 3 -4,-1.8 4,-2.6 -5,-0.2 5,-0.2 0.955 112.6 47.4 -63.5 -50.5 -51.2 -105.8 -57.4 104 107 A Y H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.940 112.6 48.4 -57.8 -47.9 -54.2 -106.4 -55.0 105 108 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.929 111.5 50.8 -58.1 -44.6 -55.2 -102.7 -55.0 106 109 A F H X S+ 0 0 56 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.942 112.9 45.3 -57.7 -50.0 -55.0 -102.6 -58.9 107 110 A Q H X S+ 0 0 12 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.892 110.8 52.9 -62.8 -40.1 -57.2 -105.7 -59.2 108 111 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.878 108.5 50.5 -63.3 -40.0 -59.7 -104.5 -56.6 109 112 A L H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.838 108.1 52.7 -65.0 -36.5 -60.1 -101.2 -58.5 110 113 A Q H X S+ 0 0 64 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.934 110.1 49.4 -63.9 -42.6 -60.7 -103.1 -61.7 111 114 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.945 114.3 43.6 -59.9 -50.9 -63.4 -105.1 -59.9 112 115 A L H X S+ 0 0 0 -4,-2.6 4,-3.5 1,-0.2 5,-0.3 0.905 110.6 55.2 -60.9 -45.8 -65.0 -101.9 -58.6 113 116 A A H X S+ 0 0 25 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.909 110.7 47.1 -54.6 -41.9 -64.6 -100.1 -62.0 114 117 A F H X S+ 0 0 42 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.969 115.6 42.3 -64.3 -56.1 -66.5 -103.0 -63.6 115 118 A C H ><>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 3,-0.5 0.917 115.0 51.2 -58.6 -44.3 -69.3 -103.2 -61.1 116 119 A H H ><5S+ 0 0 23 -4,-3.5 3,-1.7 1,-0.2 -1,-0.2 0.861 105.2 54.6 -63.9 -36.1 -69.6 -99.4 -61.0 117 120 A S H 3<5S+ 0 0 85 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.772 110.0 49.4 -68.2 -23.2 -69.9 -99.1 -64.8 118 121 A H T <<5S- 0 0 106 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.191 121.6-111.8 -97.4 15.3 -72.8 -101.6 -64.5 119 122 A R T < 5S+ 0 0 197 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.839 72.7 136.3 59.0 38.1 -74.4 -99.5 -61.7 120 123 A V < - 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0 0 15 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.310 29.5-141.0 -55.5 142.0 -56.7 -100.7 -39.3 199 202 A L S S+ 0 0 26 -11,-0.4 -1,-0.1 1,-0.2 -34,-0.1 0.930 90.2 13.6 -72.3 -49.0 -56.9 -97.0 -40.3 200 203 A F S S+ 0 0 3 -36,-0.3 2,-2.0 2,-0.1 -1,-0.2 -0.709 70.2 179.6-129.7 79.6 -60.1 -96.0 -38.5 201 204 A P + 0 0 33 0, 0.0 2,-0.1 0, 0.0 -37,-0.1 -0.404 15.9 176.3 -84.1 69.8 -61.0 -98.8 -36.0 202 205 A G - 0 0 4 -2,-2.0 -39,-0.5 1,-0.1 -38,-0.2 -0.357 26.0-160.0 -72.2 150.5 -64.2 -97.2 -34.6 203 206 A D S S+ 0 0 130 1,-0.1 2,-0.3 -40,-0.1 -1,-0.1 0.348 77.7 17.9-111.4 6.3 -66.2 -99.1 -32.1 204 207 A S S > S- 0 0 44 1,-0.1 4,-2.5 -41,-0.0 5,-0.2 -0.933 90.3 -96.1-162.0 165.5 -69.5 -97.1 -32.5 205 208 A E H > S+ 0 0 99 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.922 123.8 43.3 -60.4 -44.0 -70.8 -94.8 -35.2 206 209 A I H > S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.845 114.0 49.7 -71.7 -32.6 -69.7 -91.7 -33.4 207 210 A D H > S+ 0 0 33 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.881 111.2 51.3 -70.8 -35.1 -66.3 -93.1 -32.5 208 211 A Q H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.960 111.6 46.8 -63.8 -50.4 -65.9 -94.1 -36.1 209 212 A L H X S+ 0 0 5 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.894 113.1 47.8 -59.6 -43.3 -66.8 -90.6 -37.3 210 213 A F H X S+ 0 0 34 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.783 106.5 55.7 -73.1 -26.8 -64.5 -88.9 -34.8 211 214 A R H X S+ 0 0 90 -4,-1.8 4,-1.1 -3,-0.2 -1,-0.2 0.898 110.2 48.0 -68.0 -39.9 -61.5 -91.1 -35.5 212 215 A I H >X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 3,-0.7 0.964 113.5 47.1 -62.6 -49.9 -61.9 -90.0 -39.2 213 216 A F H 3X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.3 -2,-0.2 0.865 107.4 56.0 -61.4 -39.9 -62.2 -86.4 -38.1 214 217 A R H 3< S+ 0 0 100 -4,-2.5 -1,-0.3 2,-0.2 -2,-0.2 0.792 117.6 35.4 -64.9 -25.6 -59.1 -86.6 -35.9 215 218 A T H << S+ 0 0 32 -4,-1.1 28,-2.8 -3,-0.7 -2,-0.2 0.890 131.6 25.7 -93.1 -46.0 -57.0 -87.8 -38.8 216 219 A L H < S- 0 0 7 -4,-3.0 26,-0.3 26,-0.2 -3,-0.2 0.406 114.7-105.3 -98.9 0.3 -58.4 -85.9 -41.8 217 220 A G < - 0 0 5 -4,-1.8 24,-0.2 24,-0.5 -1,-0.2 0.225 44.6 -66.6 87.2 145.0 -59.7 -83.0 -39.9 218 221 A T - 0 0 19 22,-2.2 24,-0.1 -4,-0.1 -8,-0.0 -0.507 63.6-118.6 -65.3 126.3 -63.4 -82.1 -39.1 219 222 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.325 36.2-179.9 -69.7 153.1 -65.0 -81.4 -42.4 220 223 A D > - 0 0 72 7,-0.0 4,-2.7 8,-0.0 7,-0.2 -0.817 47.5 -85.2-138.6-178.7 -66.5 -78.1 -43.2 221 224 A E T 4 S+ 0 0 80 -2,-0.3 6,-0.0 1,-0.2 0, 0.0 0.712 122.0 60.9 -65.8 -18.9 -68.3 -76.4 -46.0 222 225 A V T 4 S+ 0 0 120 2,-0.2 -1,-0.2 1,-0.1 0, 0.0 0.977 117.8 25.5 -71.0 -55.2 -65.0 -75.4 -47.6 223 226 A V T 4 S+ 0 0 67 1,-0.2 44,-0.5 43,-0.0 -2,-0.2 0.740 138.2 29.8 -81.0 -22.4 -63.7 -79.0 -48.1 224 227 A W S >< S- 0 0 11 -4,-2.7 3,-2.5 42,-0.1 4,-0.3 -0.630 78.4-150.4-141.2 83.7 -67.2 -80.5 -48.2 225 228 A P T 3 S+ 0 0 72 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.255 86.5 16.5 -54.0 124.7 -70.0 -78.3 -49.6 226 229 A G T > S+ 0 0 35 41,-0.0 3,-1.8 4,-0.0 4,-0.2 0.293 86.0 121.1 96.1 -9.5 -73.2 -79.3 -48.0 227 230 A V G X + 0 0 0 -3,-2.5 3,-1.5 1,-0.3 6,-0.1 0.837 68.6 59.3 -58.6 -34.7 -71.8 -81.3 -45.1 228 231 A T G 3 S+ 0 0 62 -4,-0.3 -1,-0.3 1,-0.3 -7,-0.0 0.587 102.8 54.6 -73.6 -5.7 -73.4 -79.1 -42.5 229 232 A S G < S+ 0 0 103 -3,-1.8 -1,-0.3 5,-0.1 -2,-0.2 0.319 79.0 122.7-104.7 3.1 -76.9 -80.0 -43.8 230 233 A M S X S- 0 0 33 -3,-1.5 3,-1.7 -4,-0.2 -57,-0.1 -0.389 76.1-109.3 -66.0 146.9 -76.3 -83.8 -43.6 231 234 A P T 3 S+ 0 0 65 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.807 113.0 29.2 -45.1 -45.7 -79.0 -85.6 -41.5 232 235 A D T 3 S+ 0 0 76 -60,-3.0 2,-0.2 2,-0.1 -59,-0.2 0.196 87.8 124.5-107.1 17.3 -76.7 -86.5 -38.5 233 236 A Y < - 0 0 29 -3,-1.7 -5,-0.0 -61,-0.4 3,-0.0 -0.553 42.8-162.5 -74.7 141.9 -74.3 -83.6 -38.7 234 237 A K > - 0 0 107 -2,-0.2 3,-2.4 1,-0.1 -2,-0.1 -0.995 23.2-144.6-130.0 126.5 -74.1 -81.6 -35.5 235 238 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.768 101.6 68.6 -58.0 -23.7 -72.6 -78.1 -35.2 236 239 A S T 3 + 0 0 103 -3,-0.0 3,-0.1 2,-0.0 -3,-0.0 0.431 69.2 125.2 -76.9 2.0 -71.4 -79.3 -31.8 237 240 A F S < S- 0 0 9 -3,-2.4 -19,-0.0 1,-0.1 -4,-0.0 -0.378 72.9-107.1 -59.5 135.9 -68.9 -81.7 -33.5 238 241 A P - 0 0 59 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.325 29.7-123.1 -62.8 153.9 -65.4 -80.9 -32.1 239 242 A K - 0 0 126 -3,-0.1 2,-0.3 -22,-0.1 -25,-0.0 -0.848 33.8-177.2-103.0 103.5 -63.2 -79.2 -34.7 240 243 A W - 0 0 77 -2,-0.8 -22,-2.2 -21,-0.0 2,-0.2 -0.776 24.4-121.5-100.5 142.9 -60.0 -81.2 -35.2 241 244 A A - 0 0 76 -2,-0.3 -24,-0.5 -24,-0.2 2,-0.1 -0.499 34.9-102.4 -78.4 152.1 -57.1 -80.1 -37.5 242 245 A R - 0 0 116 -26,-0.3 2,-0.2 -2,-0.2 -26,-0.2 -0.454 34.5-135.5 -73.0 145.5 -56.1 -82.4 -40.3 243 246 A Q - 0 0 75 -28,-2.8 2,-0.3 -2,-0.1 -1,-0.1 -0.672 27.2 -93.4-100.3 160.4 -53.0 -84.5 -39.9 244 247 A D >> - 0 0 108 -2,-0.2 3,-1.8 1,-0.1 4,-0.7 -0.508 22.4-139.0 -73.8 130.7 -50.2 -85.0 -42.4 245 248 A F H >> S+ 0 0 21 1,-0.3 4,-1.9 -2,-0.3 3,-0.5 0.775 101.5 72.3 -59.8 -24.7 -50.6 -88.1 -44.6 246 249 A S H 34 S+ 0 0 44 1,-0.3 -1,-0.3 2,-0.2 6,-0.1 0.837 101.6 43.9 -59.9 -28.9 -46.9 -88.6 -44.2 247 250 A K H <4 S+ 0 0 135 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.659 110.1 58.0 -87.4 -17.4 -47.7 -89.6 -40.6 248 251 A V H << S+ 0 0 27 -4,-0.7 -2,-0.2 -3,-0.5 -3,-0.1 0.926 118.6 16.6 -82.2 -47.7 -50.7 -91.8 -41.6 249 252 A V S >< S- 0 0 0 -4,-1.9 3,-2.9 3,-0.1 -1,-0.2 -0.261 87.4-165.8-123.6 49.7 -49.3 -94.4 -43.9 250 253 A P T 3 + 0 0 68 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.530 69.1 25.1 -72.3 149.7 -45.6 -94.5 -43.6 251 254 A P T 3 S+ 0 0 121 0, 0.0 -5,-0.1 0, 0.0 -4,-0.0 -0.741 87.7 120.5-101.4 41.5 -43.6 -95.7 -45.3 252 255 A L < - 0 0 13 -3,-2.9 -3,-0.1 1,-0.1 5,-0.0 -0.366 65.4-117.1 -59.9 135.4 -45.9 -95.5 -48.3 253 256 A D > - 0 0 64 1,-0.1 4,-2.6 -3,-0.1 3,-0.3 -0.188 30.2 -94.4 -70.5 170.0 -44.2 -93.4 -51.1 254 257 A E H > S+ 0 0 111 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.797 123.4 54.2 -57.6 -36.1 -45.6 -90.2 -52.4 255 258 A D H > S+ 0 0 77 2,-0.2 4,-2.4 1,-0.2 27,-0.3 0.931 112.4 45.3 -64.8 -42.5 -47.5 -91.7 -55.3 256 259 A G H > S+ 0 0 0 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.930 114.3 47.5 -64.4 -45.1 -49.2 -94.1 -52.9 257 260 A R H X S+ 0 0 61 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.894 111.0 52.7 -61.7 -41.7 -50.0 -91.3 -50.4 258 261 A S H X S+ 0 0 42 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.946 111.6 45.4 -60.3 -48.8 -51.3 -89.1 -53.3 259 262 A L H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 3,-0.2 0.937 112.3 51.0 -61.6 -47.5 -53.6 -91.9 -54.5 260 263 A L H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 3,-0.4 0.924 106.7 54.6 -57.6 -43.2 -54.8 -92.7 -51.0 261 264 A S H < S+ 0 0 28 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.869 108.3 49.8 -59.2 -36.3 -55.6 -89.0 -50.3 262 265 A Q H >< S+ 0 0 67 -4,-1.6 10,-1.9 -3,-0.2 3,-0.6 0.798 109.7 50.1 -72.3 -28.8 -57.8 -89.0 -53.4 263 266 A M H 3< S+ 0 0 0 -4,-1.6 -76,-0.2 -3,-0.4 -2,-0.2 0.699 112.6 49.2 -80.0 -20.7 -59.6 -92.1 -52.3 264 267 A L T 3< S+ 0 0 2 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.110 75.8 138.2-107.1 22.3 -60.2 -90.5 -48.9 265 268 A H < - 0 0 66 -3,-0.6 6,-0.1 1,-0.1 -3,-0.1 -0.414 53.8-134.5 -64.6 142.2 -61.6 -87.1 -49.9 266 269 A Y S S+ 0 0 14 -50,-0.1 -97,-0.2 -43,-0.1 -1,-0.1 0.961 88.3 73.9 -64.2 -52.8 -64.5 -86.0 -47.8 267 270 A D S >> S- 0 0 12 -44,-0.5 3,-1.7 1,-0.2 4,-1.5 -0.512 74.7-149.0 -67.8 115.9 -66.8 -84.9 -50.6 268 271 A P T 34 S+ 0 0 21 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.824 99.3 56.6 -53.7 -33.2 -68.0 -88.1 -52.4 269 272 A N T 34 S+ 0 0 148 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.718 108.3 44.9 -72.8 -22.0 -68.1 -86.0 -55.6 270 273 A K T <4 S+ 0 0 96 -3,-1.7 -1,-0.2 2,-0.1 3,-0.1 0.641 88.4 108.6 -92.9 -18.4 -64.4 -85.1 -55.3 271 274 A R S < S- 0 0 13 -4,-1.5 -8,-0.2 -6,-0.1 -9,-0.1 -0.351 81.4-103.6 -61.7 137.3 -63.3 -88.7 -54.4 272 275 A I - 0 0 19 -10,-1.9 2,-0.2 -13,-0.2 -1,-0.1 -0.256 32.8-123.4 -62.3 145.1 -61.5 -90.4 -57.3 273 276 A S > - 0 0 60 1,-0.1 4,-2.6 -3,-0.1 5,-0.1 -0.494 21.7-112.8 -86.4 164.0 -63.4 -93.0 -59.3 274 277 A A H > S+ 0 0 3 2,-0.2 4,-1.5 1,-0.2 -161,-0.1 0.907 118.1 51.5 -63.2 -39.9 -62.1 -96.5 -59.7 275 278 A K H > S+ 0 0 169 1,-0.2 4,-0.7 2,-0.2 3,-0.3 0.943 111.5 45.2 -64.4 -47.2 -61.4 -95.9 -63.4 276 279 A A H >4 S+ 0 0 48 1,-0.2 3,-1.4 2,-0.2 4,-0.4 0.926 109.7 56.7 -63.3 -39.1 -59.4 -92.7 -62.8 277 280 A A H >< S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.832 97.3 62.3 -60.5 -33.7 -57.5 -94.5 -59.9 278 281 A L H 3< S+ 0 0 46 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.746 103.2 50.9 -64.1 -22.8 -56.4 -97.2 -62.3 279 282 A A T << S+ 0 0 76 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.475 83.0 122.3 -92.9 -2.2 -54.6 -94.5 -64.3 280 283 A H S X S- 0 0 16 -3,-1.4 3,-2.4 -4,-0.4 4,-0.1 -0.336 73.9-121.3 -62.4 138.0 -52.8 -93.1 -61.2 281 284 A P G > S+ 0 0 63 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.652 104.9 81.0 -55.7 -14.6 -49.0 -93.1 -61.5 282 285 A F G > S+ 0 0 1 -27,-0.3 3,-0.5 1,-0.3 -26,-0.1 0.863 93.5 49.7 -59.4 -30.4 -48.8 -95.3 -58.4 283 286 A F G X S+ 0 0 10 -3,-2.4 3,-1.6 -6,-0.2 -1,-0.3 0.308 76.0 106.7 -92.3 10.3 -49.6 -98.2 -60.8 284 287 A Q G < S+ 0 0 153 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.850 91.6 31.1 -58.5 -34.7 -47.0 -97.4 -63.4 285 288 A D G < S+ 0 0 107 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.026 87.0 149.3-113.0 27.9 -44.8 -100.4 -62.3 286 289 A V < + 0 0 39 -3,-1.6 2,-0.2 -184,-0.1 -186,-0.1 -0.351 17.1 172.0 -65.7 138.4 -47.6 -102.7 -61.2 287 290 A T - 0 0 81 -188,-0.4 -2,-0.0 -2,-0.1 -1,-0.0 -0.744 37.0-111.6-132.5-178.9 -46.9 -106.5 -61.6 288 291 A K - 0 0 128 -2,-0.2 -188,-0.1 -185,-0.1 -151,-0.1 -0.682 37.6-177.4-123.9 80.8 -48.7 -109.6 -60.5 289 292 A P - 0 0 37 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.248 27.6-119.4 -69.6 159.2 -46.7 -111.4 -57.8 290 293 A V - 0 0 111 -154,-0.0 2,-0.1 3,-0.0 -155,-0.1 -0.873 29.9-133.4-100.0 134.7 -47.8 -114.8 -56.4 291 294 A P - 0 0 12 0, 0.0 2,-1.1 0, 0.0 -155,-0.1 -0.458 16.7-111.6 -86.1 164.0 -48.4 -114.7 -52.7 292 295 A H - 0 0 171 -2,-0.1 2,-0.5 2,-0.0 -158,-0.0 -0.787 43.9-174.2 -95.1 97.5 -47.2 -117.2 -50.1 293 296 A L - 0 0 25 -2,-1.1 2,-0.7 -159,-0.1 -206,-0.0 -0.802 18.7-159.9 -98.1 131.4 -50.4 -118.9 -49.1 294 297 A R 0 0 178 -2,-0.5 -204,-0.0 1,-0.2 -2,-0.0 -0.951 360.0 360.0-108.3 113.6 -50.6 -121.4 -46.3 295 298 A L 0 0 148 -2,-0.7 -1,-0.2 -213,-0.0 -2,-0.0 0.733 360.0 360.0-106.8 360.0 -53.8 -123.3 -46.8