==== 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 23-FEB-11 3QTW . 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) . 14655.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 60.2 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 . 34 11.6 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 . 0 0.0 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 . 24 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 1 0 1 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 . 1 1 2 1 1 0 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 55 0, 0.0 3,-0.4 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 165.5 106.3 21.7 -84.2 2 2 A E + 0 0 163 1,-0.2 3,-0.1 3,-0.1 22,-0.0 0.516 360.0 62.0 -80.7 -6.1 106.3 25.2 -85.6 3 3 A N S S+ 0 0 94 1,-0.2 21,-1.0 21,-0.1 2,-0.4 0.695 107.8 45.2 -89.0 -23.3 104.8 23.7 -88.8 4 4 A F B -A 23 0A 16 -3,-0.4 2,-0.8 19,-0.2 19,-0.2 -0.971 68.4-147.9-125.9 137.2 101.7 22.5 -86.9 5 5 A Q - 0 0 87 17,-1.8 -3,-0.1 -2,-0.4 18,-0.1 -0.451 33.8-138.2 -99.3 58.7 99.6 24.4 -84.4 6 6 A K - 0 0 85 -2,-0.8 15,-0.3 -5,-0.3 3,-0.1 0.246 19.2-167.8 -18.0 115.0 98.7 21.3 -82.4 7 7 A V - 0 0 56 13,-2.5 2,-0.3 1,-0.3 14,-0.2 0.973 56.1 -33.3 -77.9 -66.9 95.0 21.7 -81.6 8 8 A E E -B 20 0B 136 12,-0.9 12,-3.0 0, 0.0 2,-0.3 -0.954 60.0 -94.1-151.7 167.6 94.5 18.9 -79.0 9 9 A K E +B 19 0B 137 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.683 34.3 175.0 -84.3 139.3 95.6 15.4 -78.0 10 10 A I E - 0 0 72 8,-2.7 2,-0.3 -2,-0.3 9,-0.2 0.242 55.5 -11.4-129.6 11.5 93.3 12.7 -79.3 11 11 A G E -B 18 0B 23 7,-0.8 7,-1.7 1,-0.0 -1,-0.3 -0.947 38.8-132.4 169.1 169.5 95.1 9.5 -78.2 12 12 A E + 0 0 45 -2,-0.3 5,-0.2 5,-0.2 143,-0.1 -0.665 36.9 178.0-144.1 76.9 97.9 7.5 -76.8 13 13 A G - 0 0 6 3,-0.3 142,-0.2 -2,-0.1 -1,-0.1 0.847 48.5 -81.4 -50.4-118.9 98.3 4.5 -79.2 14 14 A T S S+ 0 0 18 140,-0.2 139,-0.2 141,-0.1 3,-0.1 0.237 122.3 35.3-141.7 7.3 101.1 2.0 -78.6 15 15 A Y S S- 0 0 15 1,-0.3 21,-1.2 19,-0.1 2,-0.3 0.365 124.7 -38.7-139.6 -8.6 104.1 3.7 -80.1 16 16 A G E S- C 0 35B 3 19,-0.2 -3,-0.3 20,-0.0 2,-0.3 -0.960 74.6 -51.6 175.3-157.5 103.4 7.4 -79.2 17 17 A V E - C 0 34B 8 17,-1.0 17,-2.5 -2,-0.3 2,-0.5 -0.843 37.6-144.7-112.1 148.5 100.9 10.2 -78.9 18 18 A V E -BC 11 33B 26 -7,-1.7 -8,-2.7 -2,-0.3 -7,-0.8 -0.947 17.8-172.4-115.6 131.3 98.4 11.3 -81.5 19 19 A Y E -BC 9 32B 44 13,-2.6 13,-3.2 -2,-0.5 2,-0.5 -0.879 26.3-130.3-121.5 153.8 97.5 15.0 -82.0 20 20 A K E +BC 8 31B 56 -12,-3.0 -13,-2.5 -2,-0.3 -12,-0.9 -0.871 46.3 169.5 -94.3 132.4 94.9 16.8 -84.0 21 21 A A E - C 0 30B 0 9,-2.7 9,-3.2 -2,-0.5 2,-0.4 -0.986 31.8-133.5-147.6 158.0 96.8 19.6 -85.7 22 22 A R E - C 0 29B 85 -2,-0.3 -17,-1.8 7,-0.2 2,-1.3 -0.932 21.8-126.9-115.9 136.4 96.5 22.2 -88.4 23 23 A N B > -A 4 0A 19 5,-2.9 4,-4.5 -2,-0.4 5,-0.4 -0.672 22.6-148.0 -81.0 95.0 99.1 22.9 -91.2 24 24 A K T 4 S+ 0 0 101 -2,-1.3 -1,-0.2 -21,-1.0 -20,-0.1 0.692 92.6 36.6 -35.1 -35.3 99.6 26.6 -90.6 25 25 A L T 4 S+ 0 0 142 -22,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.897 127.3 32.1 -90.9 -44.4 100.3 27.2 -94.3 26 26 A T T 4 S- 0 0 76 -3,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.722 93.1-138.1 -83.7 -23.2 97.8 24.8 -96.0 27 27 A G < + 0 0 39 -4,-4.5 2,-0.1 1,-0.3 -3,-0.1 0.542 50.0 150.1 77.1 5.1 95.2 25.1 -93.3 28 28 A E - 0 0 73 -5,-0.4 -5,-2.9 -6,-0.1 2,-0.5 -0.469 43.4-135.7 -73.4 142.9 94.7 21.3 -93.5 29 29 A V E +C 22 0B 57 -7,-0.2 50,-0.7 -2,-0.1 2,-0.3 -0.867 36.3 165.2-100.1 127.7 93.6 19.5 -90.3 30 30 A V E -CD 21 78B 2 -9,-3.2 -9,-2.7 -2,-0.5 2,-0.6 -0.834 42.7-109.3-136.8 172.9 95.5 16.3 -89.7 31 31 A A E -CD 20 77B 12 46,-2.6 46,-2.9 -2,-0.3 2,-0.6 -0.949 34.6-161.1-105.0 122.5 96.3 13.6 -87.1 32 32 A L E -CD 19 76B 0 -13,-3.2 -13,-2.6 -2,-0.6 2,-0.6 -0.923 3.5-165.4-111.9 113.6 99.9 13.9 -86.1 33 33 A K E -CD 18 75B 7 42,-3.2 42,-3.1 -2,-0.6 2,-0.4 -0.877 3.9-158.0-103.0 122.4 101.5 10.9 -84.5 34 34 A K E -CD 17 74B 68 -17,-2.5 -17,-1.0 -2,-0.6 2,-0.3 -0.810 9.1-158.3 -97.0 136.5 104.8 11.4 -82.7 35 35 A I E C 16 0B 13 38,-2.2 -19,-0.2 37,-0.5 121,-0.1 -0.883 360.0 360.0-116.6 149.0 107.0 8.3 -82.1 36 36 A R 0 0 94 -21,-1.2 36,-0.1 -2,-0.3 -1,-0.0 -0.205 360.0 360.0 -45.7 360.0 109.7 7.8 -79.6 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 41 A T 0 0 74 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 80.6 115.7 4.9 -79.5 39 42 A E - 0 0 158 1,-0.1 32,-0.0 0, 0.0 0, 0.0 -0.162 360.0 -31.1 -98.6 37.0 119.4 5.8 -79.8 40 43 A G S S- 0 0 28 31,-0.1 32,-0.1 2,-0.0 -1,-0.1 0.416 105.9 -84.2 124.8 10.5 118.5 8.1 -82.7 41 44 A V - 0 0 12 30,-0.1 31,-0.1 31,-0.1 32,-0.1 0.878 53.6-104.2 58.8 108.9 115.5 6.2 -83.9 42 45 A P - 0 0 55 0, 0.0 4,-0.2 0, 0.0 -2,-0.0 0.119 15.8-144.5 -51.3 172.3 116.5 3.4 -86.4 43 46 A S S > S+ 0 0 74 2,-0.1 4,-0.7 1,-0.1 -2,-0.0 0.315 82.6 87.1-124.2 2.6 116.0 3.6 -90.1 44 47 A T T 4 S+ 0 0 72 1,-0.2 4,-0.3 2,-0.2 -1,-0.1 0.445 90.1 55.1 -81.4 -0.6 115.1 -0.0 -90.9 45 48 A A T >> S+ 0 0 14 2,-0.1 4,-2.4 3,-0.1 3,-1.0 0.819 92.8 63.9 -97.6 -42.9 111.5 1.0 -90.1 46 49 A I H 3> S+ 0 0 57 1,-0.3 4,-4.5 2,-0.2 5,-0.3 0.820 96.0 63.4 -52.0 -32.9 111.1 3.9 -92.5 47 50 A R H 3< S+ 0 0 162 -4,-0.7 4,-0.5 1,-0.2 -1,-0.3 0.908 112.1 33.2 -60.8 -42.7 111.6 1.4 -95.3 48 51 A E H <> S+ 0 0 64 -3,-1.0 4,-1.3 -4,-0.3 -1,-0.2 0.735 121.0 52.6 -84.4 -22.9 108.4 -0.5 -94.4 49 52 A I H X S+ 0 0 5 -4,-2.4 4,-1.1 2,-0.2 3,-0.4 0.948 104.7 53.1 -73.3 -51.7 106.8 2.7 -93.2 50 53 A S H X S+ 0 0 37 -4,-4.5 4,-0.5 1,-0.3 -1,-0.2 0.766 106.3 57.4 -54.7 -25.7 107.5 4.5 -96.5 51 54 A L H >4 S+ 0 0 112 -4,-0.5 3,-1.8 -5,-0.3 -1,-0.3 0.932 97.4 57.8 -71.6 -45.6 105.8 1.5 -98.1 52 55 A L H >< S+ 0 0 29 -4,-1.3 3,-1.1 -3,-0.4 11,-0.3 0.760 98.3 65.1 -54.6 -24.3 102.6 2.0 -96.1 53 56 A K H 3< S+ 0 0 58 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.810 98.6 50.1 -69.8 -31.4 102.5 5.5 -97.7 54 57 A E T << S+ 0 0 132 -3,-1.8 2,-0.9 -4,-0.5 -1,-0.3 0.225 89.0 98.0 -90.4 14.0 102.0 4.0 -101.2 55 58 A L < + 0 0 12 -3,-1.1 2,-0.5 -4,-0.1 8,-0.2 -0.761 51.7 167.1-104.9 85.9 99.2 1.9 -99.8 56 59 A N + 0 0 92 -2,-0.9 5,-0.1 6,-0.1 6,-0.0 -0.888 6.9 142.5-108.3 125.9 96.0 3.9 -100.7 57 60 A H > - 0 0 38 -2,-0.5 3,-1.9 3,-0.4 54,-0.0 -0.974 58.0-112.0-153.0 148.4 92.5 2.4 -100.4 58 61 A P T 3 S+ 0 0 88 0, 0.0 80,-0.1 0, 0.0 4,-0.1 0.695 117.8 49.2 -60.1 -16.9 89.2 4.0 -99.3 59 62 A N T 3 S+ 0 0 6 80,-0.1 81,-2.9 48,-0.1 2,-0.4 0.122 98.2 79.3-110.9 20.7 89.2 1.9 -96.2 60 63 A I B < S-f 140 0C 8 -3,-1.9 -3,-0.4 79,-0.3 81,-0.2 -0.998 87.3-115.0-128.1 127.6 92.8 2.6 -95.1 61 64 A V - 0 0 9 79,-2.8 2,-0.3 -2,-0.4 -2,-0.1 -0.439 40.3-115.5 -62.9 127.6 93.7 5.9 -93.4 62 65 A K - 0 0 103 -2,-0.2 16,-2.1 -4,-0.1 2,-0.8 -0.522 16.6-143.5 -72.4 129.3 96.0 7.8 -95.7 63 66 A L E +E 77 0B 8 -11,-0.3 14,-0.2 -2,-0.3 3,-0.1 -0.851 22.4 179.5 -92.7 108.5 99.5 8.3 -94.5 64 67 A L E + 0 0 40 12,-2.4 2,-0.3 -2,-0.8 13,-0.2 0.902 56.5 1.2 -78.2 -47.7 100.4 11.8 -95.9 65 68 A D E -E 76 0B 74 11,-1.4 11,-2.7 2,-0.0 2,-0.4 -0.984 49.2-155.3-146.2 154.8 103.9 12.5 -94.6 66 69 A V E -E 75 0B 35 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -1.000 16.4-175.4-130.9 126.6 106.7 10.8 -92.7 67 70 A I E +E 74 0B 41 7,-2.5 7,-3.0 -2,-0.4 6,-0.2 -0.930 17.0 169.3-132.8 112.7 109.3 13.1 -91.0 68 71 A H >> + 0 0 55 -2,-0.4 4,-1.9 5,-0.3 5,-0.9 0.840 32.5 136.6 -85.4 -38.7 112.3 11.7 -89.1 69 72 A T T 45S+ 0 0 68 1,-0.3 4,-0.4 2,-0.2 3,-0.3 0.389 72.6 20.7 -13.1 133.1 114.2 15.0 -88.6 70 73 A E T 45S- 0 0 128 1,-0.2 -1,-0.3 2,-0.1 -30,-0.0 0.583 124.7 -86.2 72.0 11.5 115.7 15.5 -85.2 71 74 A N T 45S+ 0 0 96 -3,-0.4 -1,-0.2 -31,-0.1 -2,-0.2 0.980 106.9 104.2 52.1 68.3 115.5 11.7 -84.8 72 75 A K T <5 - 0 0 92 -4,-1.9 -37,-0.5 -3,-0.3 -3,-0.1 0.468 69.9-135.8-141.6 -39.1 111.9 11.6 -83.5 73 76 A L < - 0 0 17 -5,-0.9 -38,-2.2 -4,-0.4 2,-0.4 0.909 15.4-159.3 71.5 103.1 109.7 10.4 -86.3 74 77 A Y E -DE 34 67B 13 -7,-3.0 -7,-2.5 -40,-0.2 2,-0.5 -0.919 1.4-157.2-112.2 135.0 106.4 12.1 -87.0 75 78 A L E -DE 33 66B 1 -42,-3.1 -42,-3.2 -2,-0.4 2,-0.6 -0.961 5.0-158.2-114.9 125.0 103.6 10.4 -89.0 76 79 A V E +DE 32 65B 1 -11,-2.7 -12,-2.4 -2,-0.5 -11,-1.4 -0.909 17.3 177.8-107.1 113.8 101.0 12.7 -90.6 77 80 A F E -DE 31 63B 28 -46,-2.9 -46,-2.6 -2,-0.6 -14,-0.2 -0.781 38.3 -96.5-113.9 156.9 97.7 11.1 -91.3 78 81 A E E -D 30 0B 46 -16,-2.1 2,-0.4 -2,-0.3 -48,-0.2 -0.426 51.4-115.5 -64.3 146.4 94.4 12.3 -92.8 79 82 A F - 0 0 38 -50,-0.7 2,-0.3 -2,-0.1 -1,-0.1 -0.727 30.1-173.6 -94.6 134.0 92.1 13.2 -89.9 80 83 A L - 0 0 17 -2,-0.4 53,-0.1 53,-0.1 3,-0.0 -0.925 26.0-128.9-118.2 149.5 88.8 11.4 -89.2 81 84 A H S S+ 0 0 105 -2,-0.3 2,-0.3 51,-0.3 52,-0.1 0.658 77.7 15.4 -78.3 -14.6 86.5 12.7 -86.5 82 85 A Q E -G 132 0C 30 50,-1.2 50,-2.7 4,-0.0 2,-0.2 -0.995 61.3-134.2-154.9 155.3 85.8 9.6 -84.4 83 86 A D E > -G 131 0C 12 -2,-0.3 4,-1.9 48,-0.2 48,-0.2 -0.682 32.3-111.4-106.3 165.9 87.0 6.1 -83.7 84 87 A L H > S+ 0 0 0 46,-2.8 4,-2.9 43,-1.1 44,-0.2 0.805 113.0 61.9 -66.8 -29.6 84.9 2.9 -83.4 85 88 A K H > S+ 0 0 92 42,-0.8 4,-2.2 45,-0.3 -1,-0.2 0.956 108.8 41.6 -61.1 -48.9 85.5 2.5 -79.7 86 89 A K H > S+ 0 0 108 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.917 115.0 50.7 -65.8 -40.5 83.8 5.9 -79.0 87 90 A F H X S+ 0 0 8 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.900 109.8 50.7 -63.4 -41.5 81.0 5.2 -81.4 88 91 A M H < S+ 0 0 21 -4,-2.9 3,-0.2 2,-0.2 -1,-0.2 0.927 111.5 48.4 -61.9 -42.4 80.4 1.8 -79.8 89 92 A D H >< S+ 0 0 100 -4,-2.2 3,-1.4 1,-0.2 4,-0.3 0.927 110.9 49.7 -63.3 -43.6 80.2 3.5 -76.4 90 93 A A H 3< S+ 0 0 80 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.742 113.7 47.2 -65.7 -24.2 77.9 6.1 -77.7 91 94 A S T 3X S+ 0 0 15 -4,-1.4 4,-3.5 -3,-0.2 3,-0.3 0.280 81.1 109.0-100.4 8.8 75.7 3.4 -79.2 92 95 A A T <4 S+ 0 0 47 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.826 77.1 45.0 -54.6 -42.7 75.7 1.2 -76.0 93 96 A L T 4 S+ 0 0 172 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.1 0.806 129.8 22.2 -76.8 -28.9 72.1 1.7 -75.0 94 97 A T T 4 S- 0 0 115 -3,-0.3 -2,-0.2 -4,-0.1 -1,-0.1 0.667 102.9-130.1-109.5 -26.4 70.5 1.3 -78.4 95 98 A G < - 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0 0 59 1,-0.1 4,-2.9 -3,-0.1 5,-0.2 -0.171 29.3 -99.8 -69.1 163.7 71.3 -14.3 -87.5 254 257 A E H > S+ 0 0 117 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.808 122.4 54.1 -54.1 -36.6 72.6 -17.6 -88.8 255 258 A D H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 27,-0.3 0.939 112.4 45.4 -63.2 -46.4 74.5 -16.0 -91.8 256 259 A G H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.925 114.2 47.3 -61.2 -46.8 76.2 -13.7 -89.3 257 260 A R H X S+ 0 0 51 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.872 110.3 53.2 -64.6 -36.5 77.0 -16.5 -86.9 258 261 A S H X S+ 0 0 43 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.935 111.6 45.1 -64.7 -44.2 78.3 -18.7 -89.7 259 262 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 3,-0.4 0.945 112.6 51.3 -64.0 -47.0 80.7 -16.0 -91.0 260 263 A L H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 3,-0.4 0.920 106.3 55.2 -56.8 -43.7 81.8 -15.3 -87.4 261 264 A S H < S+ 0 0 30 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.863 108.0 48.8 -60.2 -34.0 82.6 -19.0 -86.8 262 265 A Q H >< S+ 0 0 68 -4,-1.5 10,-2.0 -3,-0.4 3,-0.7 0.801 109.4 52.2 -76.0 -25.7 84.8 -19.0 -89.9 263 266 A M H 3< S+ 0 0 0 -4,-1.6 -76,-0.2 -3,-0.4 -1,-0.2 0.697 112.3 47.6 -78.7 -19.3 86.7 -15.9 -88.7 264 267 A L T 3< S+ 0 0 2 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.130 74.7 137.5-109.5 18.4 87.3 -17.5 -85.3 265 268 A H < - 0 0 67 -3,-0.7 6,-0.2 1,-0.1 -3,-0.1 -0.429 53.9-135.7 -62.1 139.8 88.6 -20.9 -86.4 266 269 A Y S S+ 0 0 16 -50,-0.1 -97,-0.2 -2,-0.1 -1,-0.1 0.950 86.6 77.0 -62.7 -51.3 91.5 -21.9 -84.2 267 270 A D S >> S- 0 0 16 -44,-0.5 3,-2.1 1,-0.2 4,-2.0 -0.487 74.4-148.4 -66.9 112.0 93.7 -23.2 -87.0 268 271 A P T 34 S+ 0 0 27 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.835 99.6 57.3 -48.0 -34.9 95.1 -20.1 -88.8 269 272 A N T 34 S+ 0 0 152 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.737 109.2 42.4 -69.8 -26.9 95.0 -22.2 -92.0 270 273 A K T <4 S+ 0 0 91 -3,-2.1 -1,-0.2 2,-0.1 3,-0.1 0.706 88.3 108.6 -92.5 -23.4 91.3 -22.9 -91.7 271 274 A R S < S- 0 0 13 -4,-2.0 -8,-0.2 -6,-0.2 -9,-0.1 -0.285 80.9-104.2 -55.9 133.7 90.4 -19.3 -90.7 272 275 A I - 0 0 22 -10,-2.0 2,-0.1 -13,-0.2 -1,-0.1 -0.211 31.5-123.0 -60.6 147.6 88.6 -17.6 -93.6 273 276 A S > - 0 0 59 1,-0.1 4,-2.3 -3,-0.1 5,-0.1 -0.477 22.0-113.4 -85.9 165.7 90.5 -15.0 -95.7 274 277 A A H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 -161,-0.1 0.916 118.2 52.1 -64.8 -42.5 89.2 -11.5 -96.1 275 278 A K H > S+ 0 0 168 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.938 111.9 44.2 -58.7 -49.5 88.6 -12.1 -99.8 276 279 A A H >4 S+ 0 0 45 1,-0.2 3,-1.1 2,-0.2 4,-0.4 0.885 109.4 57.4 -64.9 -36.9 86.6 -15.3 -99.1 277 280 A A H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.864 97.8 61.7 -63.0 -34.9 84.7 -13.5 -96.3 278 281 A L H 3< S+ 0 0 45 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.750 103.3 51.3 -62.8 -23.0 83.5 -10.8 -98.7 279 282 A A T << S+ 0 0 85 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.499 83.1 122.6 -90.9 -6.0 81.7 -13.5 -100.7 280 283 A H S X S- 0 0 18 -3,-1.5 3,-2.3 -4,-0.4 4,-0.1 -0.273 74.9-118.3 -60.5 141.5 79.9 -14.9 -97.7 281 284 A P G > S+ 0 0 78 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.638 106.9 79.0 -53.4 -18.6 76.0 -14.9 -97.9 282 285 A F G 3 S+ 0 0 0 -27,-0.3 3,-0.4 1,-0.3 -26,-0.1 0.823 92.5 50.2 -61.3 -31.2 76.0 -12.5 -94.9 283 286 A F G X S+ 0 0 11 -3,-2.3 3,-1.7 -6,-0.2 -1,-0.3 0.308 76.0 106.1 -91.9 9.1 76.8 -9.7 -97.3 284 287 A Q T < S+ 0 0 163 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.894 93.0 30.4 -54.2 -43.5 74.1 -10.5 -99.9 285 288 A D T 3 S+ 0 0 89 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.046 87.5 148.3-105.8 26.1 72.0 -7.5 -98.8 286 289 A V < + 0 0 42 -3,-1.7 2,-0.2 -184,-0.1 -186,-0.1 -0.311 17.5 170.6 -64.8 145.0 74.8 -5.2 -97.6 287 290 A T - 0 0 81 -188,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.747 37.7-108.0-138.2-177.4 74.3 -1.4 -98.0 288 291 A K - 0 0 126 -2,-0.2 -188,-0.1 -185,-0.0 -151,-0.1 -0.677 38.4-179.4-124.5 80.7 76.0 1.8 -96.9 289 292 A P - 0 0 36 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.211 27.9-118.5 -70.6 166.2 74.0 3.5 -94.2 290 293 A V - 0 0 107 -154,-0.0 -155,-0.1 3,-0.0 2,-0.1 -0.887 28.8-125.0-106.8 137.6 75.1 6.8 -92.6 291 294 A P - 0 0 12 0, 0.0 2,-1.3 0, 0.0 -155,-0.1 -0.427 16.4-116.0 -81.2 160.2 75.9 6.8 -88.9 292 295 A H - 0 0 159 -2,-0.1 2,-0.6 2,-0.0 -158,-0.0 -0.783 45.3-174.4 -92.3 92.7 74.3 9.1 -86.4 293 296 A L - 0 0 27 -2,-1.3 2,-0.8 -159,-0.1 -159,-0.0 -0.833 19.3-162.3-100.0 123.8 77.6 10.8 -85.4 294 297 A R 0 0 212 -2,-0.6 -2,-0.0 1,-0.2 -204,-0.0 -0.905 360.0 360.0-102.5 105.3 77.6 13.3 -82.5 295 298 A L 0 0 138 -2,-0.8 -1,-0.2 -213,-0.0 -2,-0.0 0.782 360.0 360.0-102.5 360.0 80.8 15.4 -83.0