==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 15-FEB-11 3QQG . 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) . 14758.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 61.2 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 . 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 . 16 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.9 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 . 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 3 1 0 1 0 1 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 1 0 1 3 0 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 0 112 0, 0.0 3,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.8 -106.3 -20.6 -48.9 2 2 A E T 3 + 0 0 149 1,-0.2 22,-0.1 3,-0.1 0, 0.0 0.295 360.0 87.5 -90.0 8.2 -105.5 -24.3 -49.6 3 3 A N T 3 S+ 0 0 81 21,-0.1 21,-2.4 20,-0.1 22,-0.5 0.667 90.4 50.4 -79.0 -17.1 -103.8 -23.4 -52.9 4 4 A F B < -A 23 0A 26 -3,-0.7 19,-0.2 19,-0.2 17,-0.0 -0.519 66.9-140.9-115.5-178.3 -100.5 -22.8 -51.0 5 5 A Q - 0 0 99 17,-1.0 18,-0.1 -2,-0.2 -3,-0.1 -0.130 40.9-139.3-132.1 30.7 -98.2 -24.4 -48.5 6 6 A K - 0 0 92 16,-0.1 15,-0.3 1,-0.1 3,-0.1 0.564 14.8-162.7 2.3 109.7 -97.4 -21.1 -46.6 7 7 A V - 0 0 53 13,-1.7 2,-0.3 1,-0.3 14,-0.2 0.955 59.0 -40.1 -73.0 -52.5 -93.7 -21.1 -45.8 8 8 A E E -B 20 0B 143 12,-1.4 12,-2.5 0, 0.0 2,-0.4 -0.986 59.0 -87.2-169.1 163.9 -93.8 -18.3 -43.1 9 9 A K E -B 19 0B 106 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.720 39.4-167.3 -80.4 131.4 -95.3 -15.0 -42.0 10 10 A I E - 0 0 86 8,-2.8 2,-0.3 -2,-0.4 9,-0.2 0.868 46.9 -52.8 -89.9 -44.0 -93.0 -12.4 -43.6 11 11 A G E -B 18 0B 22 7,-1.5 7,-2.7 2,-0.0 2,-0.5 -0.984 48.4 -87.9 180.0 178.8 -93.9 -9.1 -41.9 12 12 A E E -B 17 0B 76 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.949 38.6-169.4-113.7 121.0 -96.6 -6.6 -40.9 13 13 A G E > -B 16 0B 12 3,-1.7 3,-0.7 -2,-0.5 148,-0.0 -0.624 37.4-108.7-106.8 167.7 -97.5 -3.8 -43.3 14 14 A T T 3 S+ 0 0 11 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 0.898 123.7 33.8 -58.0 -39.7 -99.6 -0.7 -42.8 15 15 A Y T 3 S- 0 0 19 1,-0.3 21,-0.4 20,-0.0 -1,-0.2 0.394 131.9 -45.8 -98.9 3.2 -102.3 -2.3 -45.0 16 16 A G E < -B 13 0B 2 -3,-0.7 -3,-1.7 19,-0.1 -1,-0.3 -0.777 65.9 -60.0 150.6 165.6 -101.8 -5.9 -43.9 17 17 A V E -BC 12 34B 6 17,-0.6 17,-2.5 -5,-0.2 2,-0.4 -0.459 42.8-144.2 -75.2 144.4 -99.6 -8.9 -43.1 18 18 A V E -BC 11 33B 28 -7,-2.7 -8,-2.8 15,-0.2 -7,-1.5 -0.899 15.4-169.0-113.3 142.1 -97.3 -10.4 -45.8 19 19 A Y E -BC 9 32B 44 13,-2.7 13,-3.5 -2,-0.4 2,-0.5 -0.917 21.6-133.7-127.8 153.5 -96.6 -14.1 -46.2 20 20 A K E +BC 8 31B 54 -12,-2.5 -13,-1.7 -2,-0.3 -12,-1.4 -0.913 41.1 169.2-102.3 130.3 -94.1 -16.2 -48.2 21 21 A A E - C 0 30B 0 9,-2.8 9,-3.1 -2,-0.5 2,-0.4 -0.988 30.1-139.7-146.0 155.1 -96.0 -19.1 -49.8 22 22 A R E - C 0 29B 95 -2,-0.3 -17,-1.0 7,-0.2 2,-0.5 -0.957 26.0-121.1-118.6 133.2 -95.6 -21.8 -52.4 23 23 A N B > -A 4 0A 23 5,-2.3 4,-2.3 -2,-0.4 -19,-0.2 -0.565 17.0-147.6 -70.2 118.4 -98.3 -22.9 -54.9 24 24 A K T 4 S+ 0 0 105 -21,-2.4 -1,-0.2 -2,-0.5 -20,-0.1 0.846 96.3 36.6 -55.6 -35.7 -99.0 -26.6 -54.2 25 25 A L T 4 S+ 0 0 147 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.901 130.5 25.4 -87.4 -45.9 -99.7 -27.1 -57.9 26 26 A T T 4 S- 0 0 73 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.724 90.1-139.7 -91.5 -23.4 -97.2 -24.8 -59.8 27 27 A G < + 0 0 37 -4,-2.3 2,-0.2 1,-0.3 -3,-0.1 0.512 47.7 149.5 78.1 3.7 -94.6 -24.8 -57.0 28 28 A E - 0 0 99 -6,-0.1 -5,-2.3 1,-0.1 2,-0.5 -0.486 44.8-131.9 -74.2 141.1 -93.9 -21.1 -57.5 29 29 A V E +C 22 0B 56 -7,-0.2 50,-0.7 -2,-0.2 2,-0.3 -0.820 37.8 165.2 -94.2 125.7 -92.8 -19.1 -54.5 30 30 A V E -CD 21 78B 3 -9,-3.1 -9,-2.8 -2,-0.5 2,-0.5 -0.820 38.8-111.9-134.9 171.4 -94.7 -15.9 -54.0 31 31 A A E -CD 20 77B 11 46,-2.9 46,-3.2 -2,-0.3 2,-0.5 -0.935 29.6-159.9-108.4 131.0 -95.5 -13.2 -51.5 32 32 A L E -CD 19 76B 4 -13,-3.5 -13,-2.7 -2,-0.5 2,-0.5 -0.948 3.9-166.2-117.8 117.4 -99.0 -13.1 -50.2 33 33 A K E -CD 18 75B 2 42,-2.8 42,-2.8 -2,-0.5 2,-0.6 -0.889 7.6-152.9-104.9 130.6 -100.4 -9.9 -48.6 34 34 A K E -CD 17 74B 39 -17,-2.5 -17,-0.6 -2,-0.5 40,-0.2 -0.898 9.6-161.9-105.7 120.6 -103.7 -10.1 -46.7 35 35 A I E D 0 73B 13 38,-3.6 38,-0.6 -2,-0.6 -19,-0.1 -0.491 360.0 360.0 -93.0 166.3 -105.8 -6.9 -46.5 36 36 A R 0 0 83 -21,-0.4 4,-0.3 119,-0.2 3,-0.3 -0.362 360.0 360.0 -63.7 360.0 -108.6 -6.3 -44.0 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 67 0, 0.0 34,-0.0 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 59.2 -113.1 -7.2 -42.9 39 42 A E - 0 0 159 -3,-0.3 33,-0.1 0, 0.0 32,-0.1 0.191 360.0 -51.2-110.8 15.1 -116.7 -6.3 -43.4 40 43 A G - 0 0 22 31,-0.5 31,-0.1 -4,-0.3 0, 0.0 -0.279 63.9-136.6 154.0 -64.0 -116.6 -5.8 -47.2 41 44 A V - 0 0 20 4,-0.0 5,-0.1 108,-0.0 2,-0.1 0.560 44.3 -67.6 78.6 130.6 -113.9 -3.4 -48.5 42 45 A P >> - 0 0 59 0, 0.0 4,-1.1 0, 0.0 3,-1.0 -0.264 38.4-155.8 -52.1 117.2 -114.6 -0.8 -51.2 43 46 A S H 3> S+ 0 0 82 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.749 95.3 63.4 -67.1 -24.2 -115.4 -2.6 -54.5 44 47 A T H 3> S+ 0 0 78 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.782 101.7 54.1 -68.8 -24.7 -114.3 0.5 -56.3 45 48 A A H <> S+ 0 0 2 -3,-1.0 4,-3.3 2,-0.2 5,-0.3 0.858 100.5 55.4 -76.5 -39.0 -110.9 -0.2 -54.7 46 49 A I H X S+ 0 0 46 -4,-1.1 4,-2.7 1,-0.2 -2,-0.2 0.887 108.9 50.6 -63.4 -35.1 -110.7 -3.8 -56.0 47 50 A R H X S+ 0 0 163 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.950 113.0 44.5 -65.0 -48.4 -111.1 -2.3 -59.5 48 51 A E H X S+ 0 0 77 -4,-1.6 4,-0.7 2,-0.2 -2,-0.2 0.920 116.4 46.0 -62.1 -44.6 -108.4 0.2 -59.0 49 52 A I H >< S+ 0 0 6 -4,-3.3 3,-1.4 1,-0.2 4,-0.4 0.915 107.5 57.4 -65.3 -42.5 -106.0 -2.3 -57.4 50 53 A S H >< S+ 0 0 34 -4,-2.7 3,-1.4 -5,-0.3 -1,-0.2 0.842 98.3 62.4 -57.7 -31.2 -106.8 -4.8 -60.1 51 54 A L H >< S+ 0 0 100 -4,-1.5 3,-1.8 1,-0.3 4,-0.3 0.820 90.3 68.2 -63.7 -29.7 -105.6 -2.2 -62.6 52 55 A L G X< S+ 0 0 21 -3,-1.4 3,-1.2 -4,-0.7 11,-0.3 0.700 79.4 77.4 -63.7 -19.6 -102.2 -2.3 -60.9 53 56 A K G < S+ 0 0 76 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.739 88.1 61.3 -62.8 -19.7 -101.7 -5.8 -62.3 54 57 A E G < S+ 0 0 147 -3,-1.8 -1,-0.3 -4,-0.2 2,-0.2 0.766 77.9 105.3 -78.4 -24.7 -100.9 -4.1 -65.6 55 58 A L < + 0 0 24 -3,-1.2 2,-0.4 -4,-0.3 8,-0.4 -0.373 45.5 175.9 -60.5 121.1 -97.9 -2.3 -64.2 56 59 A N + 0 0 122 -2,-0.2 5,-0.1 6,-0.1 -3,-0.0 -0.965 15.5 137.2-131.6 116.1 -94.7 -3.8 -65.5 57 60 A H > - 0 0 34 -2,-0.4 3,-2.1 3,-0.4 54,-0.0 -0.961 57.1-120.8-156.7 139.7 -91.4 -2.3 -64.6 58 61 A P T 3 S+ 0 0 88 0, 0.0 80,-0.1 0, 0.0 4,-0.1 0.703 113.5 46.5 -54.4 -21.2 -88.0 -3.7 -63.5 59 62 A N T 3 S+ 0 0 7 80,-0.1 81,-2.7 48,-0.1 2,-0.4 0.209 97.5 78.6-112.0 17.6 -88.1 -1.7 -60.3 60 63 A I B < S-f 140 0C 11 -3,-2.1 -3,-0.4 79,-0.3 2,-0.2 -0.991 86.3-116.3-123.1 129.1 -91.7 -2.4 -59.3 61 64 A V - 0 0 7 79,-2.7 81,-0.2 -2,-0.4 2,-0.2 -0.487 41.5-110.2 -64.6 127.8 -92.5 -5.7 -57.6 62 65 A K - 0 0 61 -2,-0.2 16,-2.2 -4,-0.1 2,-0.8 -0.412 19.4-143.3 -67.1 129.5 -94.9 -7.5 -59.9 63 66 A L E +E 77 0B 13 -8,-0.4 14,-0.2 -11,-0.3 3,-0.1 -0.854 22.2 179.3 -92.5 109.9 -98.5 -7.8 -58.7 64 67 A L E - 0 0 57 12,-2.8 2,-0.3 -2,-0.8 13,-0.2 0.850 57.2 -2.9 -83.2 -39.6 -99.6 -11.2 -60.0 65 68 A D E -E 76 0B 81 11,-1.5 11,-2.9 2,-0.0 2,-0.5 -0.991 47.3-148.9-154.4 157.1 -103.1 -11.5 -58.7 66 69 A V E -E 75 0B 24 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.981 25.4-168.6-129.6 112.8 -105.8 -9.8 -56.7 67 70 A I E -E 74 0B 41 7,-3.1 7,-3.0 -2,-0.5 2,-0.6 -0.918 12.2-167.4-114.0 129.8 -108.1 -12.2 -54.9 68 71 A H E +E 73 0B 102 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.958 27.5 147.5-113.5 115.0 -111.4 -11.3 -53.2 69 72 A T E > -E 72 0B 48 3,-2.1 3,-3.0 -2,-0.6 -2,-0.0 -0.990 62.8 -0.9-151.0 143.4 -112.7 -14.2 -51.0 70 73 A E T 3 S- 0 0 175 -2,-0.3 3,-0.1 1,-0.3 -30,-0.1 0.847 127.6 -60.0 44.9 41.0 -114.7 -14.4 -47.8 71 74 A N T 3 S+ 0 0 93 1,-0.2 -31,-0.5 -32,-0.1 2,-0.3 0.615 114.9 117.1 66.4 13.6 -114.7 -10.6 -47.7 72 75 A K E < - E 0 69B 76 -3,-3.0 -3,-2.1 -33,-0.1 2,-0.5 -0.796 57.6-140.0-110.8 155.1 -110.9 -10.6 -47.5 73 76 A L E -DE 35 68B 10 -38,-0.6 -38,-3.6 -2,-0.3 2,-0.4 -0.964 17.3-172.5-117.9 124.6 -108.5 -9.1 -50.1 74 77 A Y E -DE 34 67B 24 -7,-3.0 -7,-3.1 -2,-0.5 2,-0.5 -0.964 8.3-159.3-119.4 131.9 -105.3 -11.0 -51.0 75 78 A L E -DE 33 66B 4 -42,-2.8 -42,-2.8 -2,-0.4 2,-0.6 -0.928 8.0-153.8-108.3 129.4 -102.6 -9.5 -53.2 76 79 A V E +DE 32 65B 15 -11,-2.9 -12,-2.8 -2,-0.5 -11,-1.5 -0.923 20.5 179.9-106.8 117.1 -100.2 -12.1 -54.8 77 80 A F E -DE 31 63B 16 -46,-3.2 -46,-2.9 -2,-0.6 -14,-0.2 -0.819 36.4-100.3-116.2 155.2 -96.8 -10.6 -55.6 78 81 A E E -D 30 0B 51 -16,-2.2 2,-0.4 -2,-0.3 -48,-0.2 -0.411 52.7-115.1 -64.2 150.3 -93.6 -11.9 -57.1 79 82 A F - 0 0 38 -50,-0.7 2,-0.4 -18,-0.0 -1,-0.1 -0.748 30.3-174.4-100.4 138.1 -91.3 -12.7 -54.2 80 83 A L - 0 0 16 -2,-0.4 53,-0.1 53,-0.1 3,-0.0 -0.956 25.8-131.2-123.1 145.6 -87.9 -11.1 -53.3 81 84 A H S S+ 0 0 107 -2,-0.4 2,-0.4 51,-0.2 52,-0.1 0.703 78.2 28.5 -74.7 -23.0 -85.7 -12.4 -50.5 82 85 A Q E -G 132 0C 12 50,-1.3 50,-3.0 4,-0.0 2,-0.2 -0.997 61.2-141.2-146.2 145.0 -84.8 -9.4 -48.5 83 86 A D E > -G 131 0C 47 -2,-0.4 4,-2.0 48,-0.2 48,-0.2 -0.634 32.4-113.5 -97.0 157.4 -86.2 -5.9 -47.6 84 87 A L H > S+ 0 0 0 46,-2.6 4,-2.9 43,-1.0 5,-0.2 0.815 113.0 59.4 -62.5 -30.0 -84.1 -2.8 -47.4 85 88 A K H > S+ 0 0 43 42,-0.7 4,-2.5 45,-0.3 -1,-0.2 0.968 108.2 44.9 -63.1 -49.0 -84.6 -2.4 -43.6 86 89 A K H > S+ 0 0 124 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.909 114.2 50.4 -59.6 -41.6 -83.2 -5.9 -43.0 87 90 A F H X S+ 0 0 9 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.908 109.5 49.4 -65.1 -42.0 -80.3 -5.1 -45.4 88 91 A M H < S+ 0 0 16 -4,-2.9 3,-0.5 2,-0.2 4,-0.2 0.926 111.4 49.5 -63.9 -42.2 -79.5 -1.8 -43.7 89 92 A D H >< S+ 0 0 98 -4,-2.5 3,-1.0 1,-0.2 4,-0.2 0.893 111.4 49.4 -61.8 -39.4 -79.5 -3.4 -40.3 90 93 A A H 3< S+ 0 0 78 -4,-2.2 -1,-0.2 1,-0.2 3,-0.2 0.694 114.1 46.5 -71.8 -19.2 -77.2 -6.1 -41.6 91 94 A S T 3X S+ 0 0 14 -4,-1.2 4,-3.8 -3,-0.5 -1,-0.2 0.271 80.5 107.4-106.0 10.1 -74.9 -3.5 -43.1 92 95 A A T <4 S+ 0 0 49 -3,-1.0 -1,-0.1 -4,-0.2 -2,-0.1 0.782 75.9 50.5 -60.7 -33.4 -74.8 -1.3 -40.0 93 96 A L T 4 S+ 0 0 174 -3,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.892 129.7 17.9 -73.4 -39.1 -71.2 -2.0 -38.9 94 97 A T T 4 S- 0 0 113 -3,-0.2 -2,-0.2 -4,-0.2 -1,-0.1 0.745 102.2-133.3-102.8 -31.9 -69.7 -1.3 -42.3 95 98 A G < - 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0 0 73 -28,-2.3 2,-0.2 1,-0.1 -1,-0.1 -0.590 30.9 -92.2 -93.6 159.4 -79.1 23.6 -40.1 244 247 A D >> - 0 0 115 -2,-0.2 3,-1.3 1,-0.1 4,-0.8 -0.482 27.9-134.2 -69.8 140.9 -76.3 23.2 -42.6 245 248 A F H >> S+ 0 0 27 1,-0.3 3,-1.7 2,-0.2 4,-1.5 0.900 102.8 70.2 -63.0 -37.7 -76.9 20.1 -44.8 246 249 A S H 34 S+ 0 0 59 1,-0.3 -1,-0.3 2,-0.2 6,-0.1 0.709 101.2 47.6 -51.9 -20.8 -73.2 19.1 -44.3 247 250 A K H <4 S+ 0 0 136 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.715 107.0 60.3 -90.4 -24.1 -74.2 18.4 -40.7 248 251 A V H << S+ 0 0 22 -3,-1.7 -2,-0.2 -4,-0.8 -3,-0.1 0.959 120.4 12.4 -70.7 -55.2 -77.3 16.4 -41.9 249 252 A V S >< S- 0 0 0 -4,-1.5 3,-2.7 3,-0.1 -1,-0.2 -0.271 89.0-157.7-122.4 51.7 -75.8 13.6 -44.0 250 253 A P T 3 S+ 0 0 68 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.429 70.5 21.3 -67.4 147.8 -72.0 13.5 -43.4 251 254 A P T 3 S+ 0 0 125 0, 0.0 -5,-0.1 0, 0.0 -4,-0.0 -0.751 87.8 121.9-104.1 40.4 -69.9 12.4 -45.1 252 255 A L < - 0 0 8 -3,-2.7 -3,-0.1 1,-0.1 5,-0.0 -0.307 63.3-114.9 -60.0 137.0 -72.0 12.5 -48.4 253 256 A D > - 0 0 60 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.130 31.2 -95.7 -68.2 170.9 -70.4 14.6 -51.2 254 257 A E H > S+ 0 0 114 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.791 122.2 55.8 -60.5 -32.8 -71.9 17.8 -52.5 255 258 A D H > S+ 0 0 77 2,-0.2 4,-2.6 1,-0.2 27,-0.3 0.947 112.8 43.2 -64.5 -46.7 -73.7 16.2 -55.5 256 259 A G H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.926 115.3 47.7 -62.9 -46.2 -75.4 13.9 -53.1 257 260 A R H X S+ 0 0 59 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.897 111.7 51.6 -62.1 -40.0 -76.2 16.6 -50.6 258 261 A S H X S+ 0 0 42 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.953 111.5 46.3 -61.9 -49.4 -77.5 18.8 -53.4 259 262 A L H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 3,-0.3 0.944 112.6 50.2 -59.5 -47.3 -79.8 16.1 -54.7 260 263 A L H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 3,-0.3 0.921 106.3 54.9 -59.1 -43.6 -81.1 15.3 -51.2 261 264 A S H < S+ 0 0 29 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.864 108.3 49.5 -59.8 -34.0 -81.8 19.0 -50.5 262 265 A Q H >< S+ 0 0 66 -4,-1.6 10,-2.2 -3,-0.3 3,-0.7 0.801 109.4 51.8 -73.8 -28.0 -84.0 19.1 -53.7 263 266 A M H 3< S+ 0 0 0 -4,-1.7 -76,-0.2 -3,-0.3 -2,-0.2 0.734 111.8 48.7 -77.8 -20.6 -85.8 15.9 -52.6 264 267 A L T 3< S+ 0 0 1 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.100 74.4 138.7-107.8 22.3 -86.5 17.6 -49.2 265 268 A H < - 0 0 65 -3,-0.7 6,-0.2 1,-0.1 -3,-0.1 -0.441 52.8-135.9 -64.9 141.1 -87.8 20.9 -50.2 266 269 A Y S S+ 0 0 17 -2,-0.1 -97,-0.2 -50,-0.1 -1,-0.1 0.945 87.5 75.0 -64.0 -49.4 -90.8 22.0 -48.1 267 270 A D S >> S- 0 0 14 -44,-0.5 4,-2.1 1,-0.2 3,-1.9 -0.538 74.0-149.3 -70.7 113.7 -93.0 23.2 -50.9 268 271 A P T 34 S+ 0 0 25 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.825 100.0 58.7 -50.3 -32.4 -94.3 20.1 -52.8 269 272 A N T 34 S+ 0 0 146 1,-0.2 -2,-0.1 -3,-0.0 -45,-0.0 0.765 109.9 39.7 -68.9 -28.9 -94.2 22.4 -55.9 270 273 A K T <4 S+ 0 0 99 -3,-1.9 -1,-0.2 2,-0.1 3,-0.1 0.707 89.9 108.5 -93.0 -22.3 -90.5 23.0 -55.5 271 274 A R S < S- 0 0 12 -4,-2.1 -8,-0.2 -6,-0.2 -9,-0.1 -0.277 80.7-104.3 -57.4 133.4 -89.6 19.4 -54.5 272 275 A I - 0 0 21 -10,-2.2 2,-0.2 -13,-0.2 -1,-0.1 -0.216 30.9-123.8 -62.5 147.0 -87.7 17.7 -57.4 273 276 A S > - 0 0 63 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.497 21.7-113.6 -86.1 162.6 -89.6 15.1 -59.5 274 277 A A H > S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -161,-0.1 0.918 117.6 50.8 -61.3 -42.5 -88.3 11.6 -59.9 275 278 A K H > S+ 0 0 171 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.928 112.2 45.3 -63.0 -43.3 -87.6 12.2 -63.6 276 279 A A H >4 S+ 0 0 47 1,-0.2 3,-1.0 2,-0.2 4,-0.2 0.875 109.1 56.9 -67.5 -35.6 -85.6 15.4 -63.0 277 280 A A H >< S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.3 6,-0.2 0.867 97.2 62.4 -64.4 -34.0 -83.7 13.7 -60.1 278 281 A L H 3< S+ 0 0 43 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.758 102.6 52.2 -62.2 -22.9 -82.5 11.0 -62.6 279 282 A A T << S+ 0 0 83 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.449 82.9 121.4 -92.7 -2.5 -80.8 13.7 -64.5 280 283 A H S X S- 0 0 18 -3,-1.8 3,-2.2 -4,-0.2 4,-0.2 -0.344 75.2-118.0 -65.2 142.9 -79.0 15.1 -61.4 281 284 A P G > S+ 0 0 70 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.691 106.6 78.3 -52.9 -22.9 -75.1 15.1 -61.6 282 285 A F G 3 S+ 0 0 0 -27,-0.3 3,-0.5 1,-0.3 -26,-0.1 0.833 94.4 49.8 -57.0 -30.9 -75.0 12.7 -58.7 283 286 A F G X S+ 0 0 10 -3,-2.2 3,-1.6 -6,-0.2 -1,-0.3 0.370 76.1 104.2 -92.5 6.2 -75.8 9.9 -61.1 284 287 A Q T < S+ 0 0 180 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.850 93.3 31.8 -56.2 -34.2 -73.2 10.7 -63.7 285 288 A D T 3 S+ 0 0 104 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.100 86.7 147.4-111.2 21.9 -71.1 7.8 -62.6 286 289 A V < + 0 0 37 -3,-1.6 2,-0.2 -184,-0.1 -186,-0.1 -0.263 17.7 171.3 -61.0 141.9 -73.8 5.4 -61.4 287 290 A T - 0 0 84 -188,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.707 37.4-108.8-135.2-174.7 -73.2 1.6 -61.9 288 291 A K - 0 0 131 -2,-0.2 -188,-0.1 -185,-0.0 -151,-0.1 -0.687 37.6-175.9-127.0 80.4 -75.0 -1.6 -60.8 289 292 A P - 0 0 35 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.249 27.1-117.8 -70.1 160.3 -72.9 -3.3 -58.0 290 293 A V - 0 0 113 -154,-0.0 2,-0.1 1,-0.0 -155,-0.1 -0.846 30.0-130.4 -99.3 137.1 -74.0 -6.7 -56.6 291 294 A P - 0 0 13 0, 0.0 2,-1.0 0, 0.0 -155,-0.1 -0.458 15.0-116.4 -84.2 160.5 -74.8 -6.7 -52.9 292 295 A H - 0 0 164 -2,-0.1 2,-0.5 2,-0.0 -158,-0.0 -0.836 43.3-174.0 -95.5 99.6 -73.5 -9.1 -50.3 293 296 A L - 0 0 27 -2,-1.0 2,-0.8 -159,-0.1 -159,-0.0 -0.876 19.9-160.6-104.2 126.3 -76.7 -10.8 -49.3 294 297 A R 0 0 211 -2,-0.5 -2,-0.0 1,-0.2 -204,-0.0 -0.906 360.0 360.0-103.1 104.6 -76.9 -13.3 -46.5 295 298 A L 0 0 140 -2,-0.8 -1,-0.2 -213,-0.0 0, 0.0 0.782 360.0 360.0 -99.9 360.0 -80.1 -15.2 -47.0