==== 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 12-MAY-11 3S00 . 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) . 14833.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 61.9 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 . 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 . 18 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 25.5 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 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 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 46 0, 0.0 5,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.7 -92.9 101.9 -73.6 2 2 A E + 0 0 146 3,-0.1 22,-0.1 1,-0.1 0, 0.0 0.784 360.0 68.6-105.5 -45.2 -92.9 103.3 -77.1 3 3 A N S S+ 0 0 80 20,-0.1 21,-2.1 21,-0.1 22,-0.4 0.425 107.5 52.1 -57.5 3.7 -91.5 106.8 -76.5 4 4 A F E S-A 23 0A 12 19,-0.2 2,-0.4 20,-0.1 19,-0.2 -0.819 75.7-133.1-134.7 173.1 -88.3 104.9 -75.8 5 5 A Q E -A 22 0A 97 17,-0.6 17,-1.1 -2,-0.3 2,-1.0 -0.904 24.5-135.0-134.9 102.0 -86.0 102.3 -77.3 6 6 A K E +A 21 0A 113 -2,-0.4 15,-0.3 -5,-0.2 3,-0.1 -0.414 26.2 176.6 -62.1 97.2 -85.0 99.5 -74.9 7 7 A V E - 0 0 76 13,-1.9 2,-0.3 -2,-1.0 14,-0.2 0.939 63.6 -28.6 -67.2 -48.6 -81.2 99.1 -75.5 8 8 A E E -A 20 0A 119 12,-1.6 12,-2.5 3,-0.0 2,-0.9 -0.970 60.9 -97.2-160.2 171.5 -80.8 96.5 -72.8 9 9 A K E -A 19 0A 128 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.876 33.6-169.2 -99.7 104.1 -82.0 95.2 -69.5 10 10 A I E - 0 0 84 8,-1.0 2,-0.3 -2,-0.9 -1,-0.2 0.962 49.4 -78.2 -59.8 -53.8 -79.7 96.8 -67.0 11 11 A G E -A 18 0A 26 7,-1.4 7,-2.3 -3,-0.1 2,-0.6 -0.907 56.7 -45.6-177.1-154.9 -80.8 94.7 -64.1 12 12 A E E -A 17 0A 55 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.919 47.8-160.4-110.7 111.4 -83.4 94.0 -61.3 13 13 A G - 0 0 17 3,-2.4 5,-0.1 -2,-0.6 142,-0.0 -0.278 33.4-106.7 -81.4 174.0 -84.6 96.9 -59.4 14 14 A T S S+ 0 0 32 1,-0.2 -1,-0.1 141,-0.1 3,-0.1 0.846 121.8 28.4 -69.6 -32.0 -86.2 96.8 -56.0 15 15 A Y S S- 0 0 31 1,-0.3 21,-2.7 140,-0.1 2,-0.3 0.486 134.4 -38.8-106.7 -6.0 -89.6 97.6 -57.6 16 16 A G S S- 0 0 6 19,-0.2 -3,-2.4 20,-0.1 -1,-0.3 -0.970 82.5 -40.2 167.0-179.1 -89.1 96.1 -61.0 17 17 A V E -A 12 0A 4 -2,-0.3 17,-1.7 -5,-0.2 2,-0.4 -0.341 48.7-141.2 -69.4 150.5 -86.7 95.6 -63.9 18 18 A V E -AB 11 33A 17 -7,-2.3 -7,-1.4 15,-0.2 -8,-1.0 -0.947 18.2-166.0-114.9 134.6 -84.4 98.4 -65.0 19 19 A Y E -AB 9 32A 37 13,-2.9 13,-2.8 -2,-0.4 2,-0.7 -0.904 24.0-132.1-123.3 151.7 -83.7 99.1 -68.6 20 20 A K E +AB 8 31A 47 -12,-2.5 -13,-1.9 -2,-0.3 -12,-1.6 -0.903 46.5 171.5 -96.2 117.6 -81.1 101.2 -70.5 21 21 A A E -AB 6 30A 0 9,-2.3 9,-2.7 -2,-0.7 2,-0.5 -0.874 33.0-131.1-131.8 165.6 -83.3 103.1 -73.0 22 22 A R E -AB 5 29A 105 -17,-1.1 -17,-0.6 -2,-0.3 2,-0.3 -0.963 25.4-124.2-119.9 122.1 -83.1 105.9 -75.6 23 23 A N E > -A 4 0A 29 5,-3.1 4,-2.9 -2,-0.5 -19,-0.2 -0.482 18.9-147.0 -64.8 122.7 -85.6 108.8 -75.7 24 24 A K T 4 S+ 0 0 130 -21,-2.1 -1,-0.2 -2,-0.3 -20,-0.1 0.819 93.7 42.7 -63.2 -33.0 -87.0 108.7 -79.2 25 25 A L T 4 S+ 0 0 147 -22,-0.4 -1,-0.2 1,-0.1 -2,-0.1 0.712 128.8 25.1 -88.8 -18.5 -87.5 112.5 -79.4 26 26 A T T 4 S- 0 0 75 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.609 90.1-130.0-117.5 -18.9 -84.2 113.6 -77.9 27 27 A G < + 0 0 32 -4,-2.9 2,-0.2 1,-0.3 -3,-0.1 0.560 57.7 144.8 78.7 7.1 -81.8 110.7 -78.5 28 28 A E - 0 0 82 -5,-0.2 -5,-3.1 -6,-0.1 2,-0.5 -0.536 47.1-130.9 -81.7 144.1 -80.8 110.7 -74.8 29 29 A V E +B 22 0A 53 -7,-0.2 50,-0.8 -2,-0.2 2,-0.3 -0.811 35.3 168.6 -97.4 132.7 -79.9 107.5 -72.9 30 30 A V E -BC 21 78A 1 -9,-2.7 -9,-2.3 -2,-0.5 2,-0.7 -0.826 42.1-105.2-136.0 172.7 -81.6 107.0 -69.6 31 31 A A E -BC 20 77A 11 46,-2.9 46,-2.8 -2,-0.3 2,-0.5 -0.920 39.2-163.3-103.0 107.7 -82.3 104.5 -66.8 32 32 A L E -BC 19 76A 1 -13,-2.8 -13,-2.9 -2,-0.7 2,-0.5 -0.825 3.2-165.1 -98.6 123.5 -86.0 103.5 -67.3 33 33 A K E -BC 18 75A 28 42,-2.8 42,-2.3 -2,-0.5 2,-0.6 -0.933 9.1-152.0-115.9 120.7 -87.6 101.7 -64.3 34 34 A K E - C 0 74A 45 -17,-1.7 2,-0.6 -2,-0.5 40,-0.2 -0.780 18.1-139.2 -87.8 117.7 -90.9 99.8 -64.7 35 35 A I E C 0 73A 22 38,-2.2 38,-0.6 -2,-0.6 -19,-0.2 -0.697 360.0 360.0 -83.7 118.1 -92.7 99.8 -61.4 36 36 A R 0 0 138 -21,-2.7 -1,-0.1 -2,-0.6 -20,-0.1 -0.102 360.0 360.0 -39.8 360.0 -94.4 96.4 -60.7 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 0 129 0, 0.0 -2,-0.0 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 91.0 -101.0 95.9 -59.8 39 42 A E - 0 0 195 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.164 360.0 -49.7-133.0 15.4 -104.5 97.2 -59.1 40 43 A G S S- 0 0 42 31,-0.2 31,-0.0 2,-0.1 32,-0.0 0.222 81.0 -94.0 138.1 -18.7 -104.4 100.8 -60.5 41 44 A V - 0 0 41 32,-0.0 5,-0.0 4,-0.0 31,-0.0 0.796 47.7 -90.5 75.8 110.6 -101.3 102.5 -59.1 42 45 A P > - 0 0 79 0, 0.0 4,-1.7 0, 0.0 3,-0.2 -0.251 25.3-148.7 -52.3 125.7 -101.8 104.6 -55.9 43 46 A S H > S+ 0 0 55 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.775 100.6 59.9 -67.2 -25.7 -102.6 108.2 -56.7 44 47 A T H > S+ 0 0 87 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.887 103.4 51.3 -67.4 -39.2 -100.8 109.1 -53.5 45 48 A A H > S+ 0 0 0 2,-0.2 4,-3.3 -3,-0.2 5,-0.3 0.940 106.5 50.9 -64.0 -51.0 -97.6 107.5 -54.8 46 49 A I H X S+ 0 0 35 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.879 113.4 47.2 -56.6 -38.8 -97.6 109.3 -58.2 47 50 A R H X S+ 0 0 150 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.939 115.0 44.8 -67.6 -49.5 -98.0 112.6 -56.3 48 51 A E H >X S+ 0 0 68 -4,-2.4 3,-0.7 2,-0.2 4,-0.7 0.975 117.3 44.5 -57.6 -58.3 -95.2 111.8 -53.8 49 52 A I H >X S+ 0 0 1 -4,-3.3 3,-1.7 1,-0.2 4,-0.5 0.898 107.7 59.0 -53.7 -46.7 -92.8 110.5 -56.4 50 53 A S H >< S+ 0 0 40 -4,-2.5 3,-1.3 -5,-0.3 4,-0.3 0.845 97.2 60.5 -55.4 -35.2 -93.6 113.4 -58.8 51 54 A L H X< S+ 0 0 112 -4,-1.5 3,-1.4 -3,-0.7 4,-0.3 0.789 93.8 67.6 -63.5 -24.2 -92.4 115.9 -56.1 52 55 A L H X< S+ 0 0 20 -3,-1.7 3,-1.5 -4,-0.7 11,-0.3 0.756 79.9 73.9 -67.5 -25.0 -89.0 114.1 -56.3 53 56 A K T << S+ 0 0 54 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.719 91.4 63.0 -59.8 -18.2 -88.4 115.4 -59.8 54 57 A E T < S+ 0 0 113 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.736 78.2 99.0 -79.3 -26.0 -87.8 118.6 -58.0 55 58 A L < + 0 0 22 -3,-1.5 2,-0.4 -4,-0.3 8,-0.3 -0.430 49.8 176.3 -65.1 132.9 -84.7 117.4 -56.0 56 59 A N + 0 0 104 -2,-0.2 5,-0.1 6,-0.1 -3,-0.0 -0.940 13.9 136.4-145.7 119.9 -81.5 118.5 -57.6 57 60 A H > - 0 0 46 3,-0.4 3,-1.8 -2,-0.4 5,-0.1 -0.971 57.7-116.4-158.3 146.8 -78.0 117.8 -56.3 58 61 A P T 3 S+ 0 0 86 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.719 116.2 48.8 -61.0 -18.5 -74.7 116.7 -57.8 59 62 A N T 3 S+ 0 0 7 80,-0.1 81,-2.5 48,-0.1 2,-0.4 0.162 96.3 80.3-110.1 20.7 -74.8 113.6 -55.7 60 63 A I B < S-e 140 0B 11 -3,-1.8 2,-0.5 79,-0.3 -3,-0.4 -0.993 83.7-119.7-127.9 125.8 -78.4 112.5 -56.4 61 64 A V - 0 0 4 79,-2.4 81,-0.2 -2,-0.4 82,-0.2 -0.503 41.8-115.5 -64.3 116.8 -79.3 110.6 -59.6 62 65 A K - 0 0 95 -2,-0.5 16,-2.1 1,-0.1 2,-1.0 -0.318 12.9-140.7 -62.6 128.6 -81.8 113.0 -61.2 63 66 A L E -D 77 0A 10 -11,-0.3 14,-0.3 -8,-0.3 3,-0.1 -0.812 21.9-173.7 -86.9 105.5 -85.3 111.7 -61.6 64 67 A L E - 0 0 37 12,-2.2 2,-0.3 -2,-1.0 -1,-0.2 0.911 56.7 -16.2 -70.6 -45.5 -86.0 113.1 -65.0 65 68 A D E -D 76 0A 77 11,-1.7 11,-2.9 -3,-0.1 2,-0.5 -0.989 44.8-134.9-158.9 164.1 -89.7 112.2 -65.2 66 69 A V E -D 75 0A 20 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -1.000 29.5-163.1-122.0 119.5 -92.6 110.1 -63.8 67 70 A I E +D 74 0A 34 7,-2.8 7,-1.7 -2,-0.5 2,-0.7 -0.934 12.7 179.7-115.1 114.8 -94.5 108.6 -66.8 68 71 A H E +D 73 0A 85 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.892 27.1 136.4-114.9 98.6 -98.0 107.3 -66.1 69 72 A T E > +D 72 0A 55 3,-1.3 3,-2.1 -2,-0.7 -2,-0.1 -0.978 62.2 15.1-141.4 153.0 -99.5 106.0 -69.4 70 73 A E T 3 S- 0 0 165 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.800 126.2 -70.4 54.1 29.2 -101.5 102.9 -70.4 71 74 A N T 3 S+ 0 0 123 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.808 110.5 119.2 55.9 32.7 -102.0 102.4 -66.6 72 75 A K E < - D 0 69A 71 -3,-2.1 -3,-1.3 2,-0.0 2,-0.4 -0.908 58.7-133.9-122.6 150.8 -98.4 101.5 -66.2 73 76 A L E +CD 35 68A 5 -38,-0.6 -38,-2.2 -2,-0.3 2,-0.4 -0.922 24.5 175.4-111.7 134.0 -95.9 103.4 -64.0 74 77 A Y E -CD 34 67A 17 -7,-1.7 -7,-2.8 -2,-0.4 2,-0.5 -0.997 16.9-156.6-137.1 138.7 -92.4 104.3 -65.2 75 78 A L E -CD 33 66A 0 -42,-2.3 -42,-2.8 -2,-0.4 2,-0.6 -0.969 11.8-152.0-115.7 130.7 -89.6 106.4 -63.6 76 79 A V E -CD 32 65A 7 -11,-2.9 -12,-2.2 -2,-0.5 -11,-1.7 -0.925 19.0-179.0-107.4 117.6 -87.0 107.9 -65.9 77 80 A F E -CD 31 63A 8 -46,-2.8 -46,-2.9 -2,-0.6 -14,-0.2 -0.797 36.2 -97.5-114.2 152.5 -83.6 108.5 -64.3 78 81 A E E -C 30 0A 50 -16,-2.1 2,-0.4 -2,-0.3 -48,-0.2 -0.443 48.2-116.0 -64.8 142.2 -80.4 110.0 -65.6 79 82 A F - 0 0 41 -50,-0.8 2,-0.3 -2,-0.1 -1,-0.1 -0.698 31.1-172.0 -87.1 128.8 -78.1 107.1 -66.8 80 83 A L - 0 0 13 -2,-0.4 53,-0.1 1,-0.1 3,-0.1 -0.844 25.3-126.0-113.0 156.9 -74.8 106.6 -65.0 81 84 A H S S+ 0 0 103 51,-0.5 2,-0.3 -2,-0.3 52,-0.2 0.710 77.9 10.5 -84.0 -20.2 -72.3 104.1 -66.3 82 85 A Q E -F 132 0B 12 50,-1.3 50,-2.7 211,-0.0 2,-0.2 -0.995 62.9-131.4-152.9 153.7 -71.5 101.8 -63.4 83 86 A D E > -F 131 0B 43 -2,-0.3 4,-2.2 48,-0.2 48,-0.2 -0.667 29.6-113.5-102.7 163.8 -72.8 100.9 -59.9 84 87 A L H > S+ 0 0 0 46,-2.4 4,-2.6 43,-1.0 44,-0.2 0.765 113.3 60.8 -65.7 -27.5 -70.7 100.6 -56.7 85 88 A K H > S+ 0 0 72 42,-0.8 4,-2.3 45,-0.3 -1,-0.2 0.962 109.8 41.0 -63.1 -51.5 -71.3 96.9 -56.4 86 89 A K H > S+ 0 0 105 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.916 114.8 51.7 -62.6 -43.7 -69.7 96.2 -59.8 87 90 A F H X S+ 0 0 7 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.906 110.6 48.7 -61.3 -41.9 -66.9 98.7 -59.1 88 91 A M H < S+ 0 0 20 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.911 112.2 48.4 -64.5 -41.2 -66.1 97.0 -55.7 89 92 A D H >< S+ 0 0 94 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.901 112.6 48.7 -64.1 -40.8 -66.1 93.6 -57.4 90 93 A A H 3< S+ 0 0 70 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.778 113.3 47.9 -68.1 -26.1 -63.8 95.0 -60.1 91 94 A S T 3X S+ 0 0 15 -4,-1.6 4,-3.8 -5,-0.2 3,-0.4 0.296 80.2 111.4 -97.2 9.5 -61.6 96.4 -57.4 92 95 A A T <4 S+ 0 0 51 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.763 74.1 48.4 -55.7 -35.1 -61.5 93.2 -55.4 93 96 A L T 4 S+ 0 0 170 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.859 129.9 18.1 -77.6 -35.1 -57.9 92.3 -56.0 94 97 A T T 4 S- 0 0 112 -3,-0.4 -2,-0.2 -4,-0.2 -1,-0.1 0.653 101.9-131.2-109.4 -21.7 -56.4 95.7 -55.2 95 98 A G < - 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0 0 75 -28,-2.4 5,-0.1 1,-0.1 -1,-0.1 -0.683 32.9 -88.4 -95.0 148.7 -65.9 93.1 -30.1 244 247 A D > - 0 0 117 -2,-0.3 3,-1.3 1,-0.2 4,-0.4 -0.313 37.8-137.2 -51.1 129.7 -62.9 95.4 -30.1 245 248 A F G >> S+ 0 0 30 1,-0.2 4,-0.9 2,-0.2 3,-0.7 0.675 96.4 71.5 -68.8 -17.8 -63.6 97.9 -32.9 246 249 A S G 34 S+ 0 0 54 1,-0.2 -1,-0.2 2,-0.2 6,-0.1 0.694 95.1 55.0 -70.8 -18.0 -60.1 97.7 -34.3 247 250 A K G <4 S+ 0 0 132 -3,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.680 97.4 68.8 -86.1 -18.5 -60.8 94.2 -35.5 248 251 A V T <4 S+ 0 0 21 -3,-0.7 -2,-0.2 -4,-0.4 -1,-0.1 0.925 115.1 10.3 -67.4 -53.1 -63.9 95.4 -37.5 249 252 A V S >< S- 0 0 0 -4,-0.9 3,-2.9 3,-0.1 -1,-0.2 -0.298 87.8-159.5-128.9 52.8 -62.3 97.5 -40.3 250 253 A P T 3 S+ 0 0 69 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.526 70.5 22.3 -73.6 147.4 -58.6 97.0 -40.4 251 254 A P T 3 S+ 0 0 125 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 -0.597 88.0 119.1-108.1 58.4 -56.6 98.7 -41.6 252 255 A L < - 0 0 12 -3,-2.9 -3,-0.1 -6,-0.1 -61,-0.0 -0.516 65.1-112.2 -74.1 144.8 -58.7 101.9 -41.5 253 256 A D > - 0 0 65 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.178 30.2 -95.8 -74.3 169.2 -57.1 104.7 -39.4 254 257 A E H > S+ 0 0 112 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.802 122.8 54.1 -56.8 -35.1 -58.5 106.1 -36.1 255 258 A D H > S+ 0 0 77 2,-0.2 4,-2.5 1,-0.2 27,-0.3 0.940 113.1 43.7 -65.9 -44.2 -60.3 109.0 -37.7 256 259 A G H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.906 114.7 48.5 -65.9 -42.8 -62.1 106.6 -40.1 257 260 A R H X S+ 0 0 59 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.895 111.3 51.6 -64.6 -38.8 -62.8 104.1 -37.3 258 261 A S H X S+ 0 0 44 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.958 111.7 45.6 -61.3 -51.4 -64.1 106.9 -35.1 259 262 A L H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.923 112.9 51.4 -58.7 -45.0 -66.5 108.2 -37.8 260 263 A L H >X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 3,-0.6 0.926 106.3 52.9 -61.2 -44.2 -67.7 104.7 -38.6 261 264 A S H 3< S+ 0 0 28 -4,-2.6 -1,-0.2 1,-0.2 3,-0.2 0.872 108.2 52.0 -60.6 -33.5 -68.5 103.9 -35.0 262 265 A Q H >< S+ 0 0 66 -4,-1.8 10,-2.2 1,-0.2 3,-0.6 0.787 108.7 50.4 -72.2 -25.3 -70.6 107.1 -34.9 263 266 A M H << S+ 0 0 0 -4,-1.4 -76,-0.2 -3,-0.6 -1,-0.2 0.675 112.8 48.6 -82.4 -18.2 -72.5 106.0 -38.0 264 267 A L T 3< S+ 0 0 2 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.082 73.3 137.1-110.9 22.4 -73.1 102.6 -36.4 265 268 A H < - 0 0 70 -3,-0.6 6,-0.1 1,-0.1 -3,-0.0 -0.434 55.1-133.0 -64.3 142.6 -74.4 103.6 -32.9 266 269 A Y S S+ 0 0 14 -50,-0.1 -97,-0.2 -2,-0.1 -1,-0.1 0.952 89.3 74.0 -63.2 -49.8 -77.4 101.4 -32.0 267 270 A D S >> S- 0 0 14 -44,-0.5 3,-2.0 1,-0.2 4,-1.2 -0.544 76.8-146.7 -70.9 114.9 -79.7 104.2 -30.8 268 271 A P T 34 S+ 0 0 20 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.851 99.4 57.8 -48.0 -39.2 -80.8 106.0 -33.9 269 272 A N T 34 S+ 0 0 146 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.735 106.1 46.8 -65.9 -26.3 -80.8 109.2 -31.9 270 273 A K T <4 S+ 0 0 93 -3,-2.0 -1,-0.2 2,-0.1 2,-0.1 0.621 87.8 108.2 -89.3 -18.1 -77.1 108.8 -31.0 271 274 A R S < S- 0 0 15 -4,-1.2 -8,-0.2 -3,-0.4 -9,-0.1 -0.394 81.0-104.4 -63.4 132.6 -76.1 108.1 -34.6 272 275 A I - 0 0 19 -10,-2.2 2,-0.1 -13,-0.2 -1,-0.1 -0.200 32.4-121.1 -59.1 144.4 -74.2 110.9 -36.3 273 276 A S > - 0 0 59 1,-0.1 4,-2.3 -3,-0.1 5,-0.1 -0.447 20.1-116.1 -82.3 164.1 -76.1 113.1 -38.8 274 277 A A H > S+ 0 0 2 2,-0.2 4,-1.7 1,-0.2 -161,-0.1 0.909 117.8 51.6 -65.8 -41.1 -74.9 113.4 -42.4 275 278 A K H > S+ 0 0 172 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.927 112.3 44.6 -62.0 -45.3 -74.3 117.1 -41.8 276 279 A A H >4 S+ 0 0 47 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.874 109.1 57.2 -66.7 -37.2 -72.2 116.5 -38.7 277 280 A A H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.857 97.6 61.8 -61.2 -36.6 -70.3 113.7 -40.4 278 281 A L H 3< S+ 0 0 45 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.741 103.1 51.6 -61.8 -22.5 -69.2 116.1 -43.1 279 282 A A T << S+ 0 0 82 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.485 83.6 121.1 -93.2 -3.9 -67.4 118.0 -40.3 280 283 A H S X S- 0 0 15 -3,-1.6 3,-2.0 -4,-0.3 4,-0.1 -0.267 74.4-119.6 -61.5 144.0 -65.6 115.0 -39.0 281 284 A P G > S+ 0 0 71 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.679 106.1 78.4 -59.1 -17.9 -61.8 115.2 -39.0 282 285 A F G 3 S+ 0 0 0 -27,-0.3 3,-0.4 1,-0.3 -26,-0.1 0.812 94.3 50.6 -60.8 -26.1 -61.6 112.1 -41.3 283 286 A F G X S+ 0 0 11 -3,-2.0 3,-1.5 -6,-0.2 -1,-0.3 0.338 76.1 102.6 -96.3 9.9 -62.5 114.6 -44.1 284 287 A Q T < S+ 0 0 163 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.889 93.4 33.1 -59.6 -39.3 -59.8 117.2 -43.4 285 288 A D T 3 S+ 0 0 110 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.075 87.1 145.8-105.2 25.1 -57.7 115.9 -46.3 286 289 A V < + 0 0 39 -3,-1.5 2,-0.2 -184,-0.1 -186,-0.1 -0.325 18.2 169.3 -65.1 144.6 -60.5 114.8 -48.7 287 290 A T - 0 0 81 -188,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.781 38.2-108.4-140.5 179.6 -59.9 115.2 -52.4 288 291 A K - 0 0 126 -2,-0.2 -188,-0.1 -185,-0.0 -151,-0.1 -0.738 37.3-177.0-125.1 85.6 -61.7 114.1 -55.6 289 292 A P - 0 0 36 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.296 27.7-117.8 -73.1 160.0 -59.7 111.3 -57.4 290 293 A V - 0 0 110 -2,-0.0 -155,-0.1 -154,-0.0 2,-0.1 -0.833 29.7-131.6 -99.8 139.7 -60.8 109.9 -60.7 291 294 A P - 0 0 13 0, 0.0 2,-1.0 0, 0.0 -155,-0.0 -0.446 15.2-115.5 -86.2 165.6 -61.6 106.2 -60.6 292 295 A H - 0 0 146 -2,-0.1 2,-0.5 2,-0.0 -158,-0.0 -0.846 42.8-175.3-100.3 98.0 -60.4 103.6 -63.1 293 296 A L - 0 0 13 -2,-1.0 2,-0.7 -159,-0.1 -159,-0.0 -0.826 19.7-158.8-100.6 129.3 -63.6 102.5 -64.7 294 297 A R 0 0 174 -2,-0.5 -2,-0.0 1,-0.2 -204,-0.0 -0.931 360.0 360.0-105.5 110.0 -63.9 99.7 -67.3 295 298 A L 0 0 127 -2,-0.7 -1,-0.2 -213,-0.0 -2,-0.0 0.706 360.0 360.0-103.5 360.0 -67.1 100.2 -69.2