==== 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 17-APR-11 3RK9 . 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) . 14668.0 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 . 39 13.3 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 . 1 0.3 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 . 20 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.9 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 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 . 0 1 1 0 0 3 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 53 0, 0.0 5,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-172.3 -51.8 -92.6 -84.1 2 2 A E + 0 0 159 1,-0.2 22,-0.0 3,-0.1 0, 0.0 0.965 360.0 27.5 -69.0 -57.1 -53.3 -95.5 -86.0 3 3 A N S S+ 0 0 74 20,-0.0 21,-1.2 21,-0.0 2,-0.4 0.304 116.8 77.9 -89.6 8.9 -51.0 -95.7 -89.0 4 4 A F E -A 23 0A 17 19,-0.2 2,-0.9 20,-0.1 19,-0.2 -0.977 65.1-154.5-126.1 126.1 -48.2 -94.2 -87.0 5 5 A Q E -A 22 0A 88 17,-1.9 17,-1.3 -2,-0.4 2,-0.4 -0.849 27.4-134.3 -98.0 102.4 -46.0 -95.9 -84.4 6 6 A K E -A 21 0A 95 -2,-0.9 15,-0.3 15,-0.2 3,-0.1 -0.415 23.4-175.9 -61.6 113.0 -44.9 -93.1 -82.1 7 7 A V E - 0 0 61 13,-2.0 2,-0.3 -2,-0.4 14,-0.2 0.951 62.0 -28.7 -74.9 -52.7 -41.1 -93.4 -81.5 8 8 A E E -A 20 0A 126 12,-1.4 12,-2.9 0, 0.0 2,-0.7 -0.965 63.3 -92.7-157.2 171.0 -40.8 -90.5 -79.0 9 9 A K E -A 19 0A 119 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.844 32.2-172.1 -93.8 114.2 -42.1 -87.2 -77.9 10 10 A I E - 0 0 81 8,-1.9 2,-0.3 -2,-0.7 9,-0.2 0.853 57.7 -55.0 -74.7 -38.5 -40.1 -84.5 -79.8 11 11 A G E -A 18 0A 26 7,-2.0 7,-2.4 2,-0.0 -1,-0.2 -0.971 44.5 -96.0-178.1-168.8 -41.5 -81.6 -77.9 12 12 A E - 0 0 93 -2,-0.3 5,-0.2 5,-0.3 144,-0.0 -0.612 44.2-160.3-137.0 73.5 -44.6 -79.7 -76.8 13 13 A G - 0 0 20 -2,-0.2 -2,-0.0 1,-0.1 129,-0.0 0.173 37.1 -94.5 -49.0 168.0 -45.1 -76.9 -79.2 14 14 A T S S+ 0 0 11 1,-0.2 140,-0.2 128,-0.1 -1,-0.1 0.439 127.3 36.1 -68.1 1.7 -47.2 -73.7 -78.5 15 15 A Y S S- 0 0 23 1,-0.2 21,-1.8 19,-0.1 2,-0.2 0.603 129.1 -48.6-123.3 -30.2 -50.1 -75.5 -80.2 16 16 A G E S- B 0 35A 2 19,-0.2 2,-0.4 20,-0.1 -1,-0.2 -0.772 74.8 -43.5-170.9-143.4 -49.7 -79.1 -79.1 17 17 A V E - B 0 34A 12 17,-1.4 17,-2.5 -5,-0.2 2,-0.5 -0.916 39.8-149.5-117.7 143.0 -47.4 -82.0 -78.8 18 18 A V E -AB 11 33A 25 -7,-2.4 -7,-2.0 -2,-0.4 -8,-1.9 -0.941 15.1-173.0-115.0 132.4 -44.8 -83.2 -81.4 19 19 A Y E -AB 9 32A 37 13,-2.7 13,-3.1 -2,-0.5 2,-0.5 -0.890 27.1-127.7-122.0 152.2 -43.8 -86.8 -81.8 20 20 A K E +AB 8 31A 45 -12,-2.9 -13,-2.0 -2,-0.3 -12,-1.4 -0.845 47.4 171.4 -91.1 133.9 -41.1 -88.5 -83.9 21 21 A A E -AB 6 30A 0 9,-2.8 9,-3.3 -2,-0.5 2,-0.4 -0.976 32.2-135.7-146.6 160.1 -43.1 -91.3 -85.7 22 22 A R E -AB 5 29A 91 -17,-1.3 -17,-1.9 -2,-0.3 2,-1.4 -0.968 26.0-122.6-120.5 131.0 -42.7 -93.9 -88.4 23 23 A N E > -A 4 0A 25 5,-3.2 4,-4.0 -2,-0.4 5,-0.3 -0.582 22.4-149.3 -72.1 95.0 -45.4 -94.5 -91.1 24 24 A K T 4 S+ 0 0 120 -2,-1.4 -1,-0.2 -21,-1.2 -20,-0.1 0.626 94.2 40.8 -39.3 -19.9 -46.0 -98.2 -90.3 25 25 A L T 4 S+ 0 0 136 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.868 125.7 27.3 -99.2 -50.9 -46.7 -98.6 -94.0 26 26 A T T 4 S- 0 0 85 2,-0.1 -2,-0.2 -3,-0.1 3,-0.1 0.611 92.4-134.4 -88.6 -14.4 -44.2 -96.5 -95.9 27 27 A G < + 0 0 42 -4,-4.0 -3,-0.1 1,-0.3 2,-0.1 0.407 54.2 147.1 75.8 -5.6 -41.5 -96.8 -93.2 28 28 A E - 0 0 79 -5,-0.3 -5,-3.2 -6,-0.1 2,-0.5 -0.375 46.1-132.4 -67.0 143.8 -40.9 -93.0 -93.5 29 29 A V E +B 22 0A 61 -7,-0.2 50,-0.8 -3,-0.1 2,-0.3 -0.839 37.1 165.6 -98.6 127.6 -39.9 -91.2 -90.3 30 30 A V E -BC 21 78A 1 -9,-3.3 -9,-2.8 -2,-0.5 2,-0.6 -0.832 42.2-109.8-137.4 173.1 -41.7 -88.0 -89.7 31 31 A A E -BC 20 77A 13 46,-2.7 46,-3.1 -2,-0.3 2,-0.6 -0.953 35.4-162.3-105.9 119.4 -42.6 -85.4 -87.1 32 32 A L E -BC 19 76A 0 -13,-3.1 -13,-2.7 -2,-0.6 2,-0.6 -0.906 3.0-164.3-109.3 119.0 -46.2 -85.7 -86.1 33 33 A K E -BC 18 75A 9 42,-3.1 42,-2.5 -2,-0.6 2,-0.6 -0.901 5.8-155.3-107.3 123.7 -47.9 -82.8 -84.4 34 34 A K E -BC 17 74A 29 -17,-2.5 -17,-1.4 -2,-0.6 2,-0.3 -0.841 19.5-137.9 -93.4 122.5 -51.2 -83.3 -82.6 35 35 A I E BC 16 73A 6 38,-4.1 38,-0.9 -2,-0.6 -19,-0.2 -0.635 360.0 360.0 -88.9 140.8 -53.2 -80.0 -82.3 36 36 A R 0 0 151 -21,-1.8 -1,-0.1 -2,-0.3 -20,-0.1 -0.205 360.0 360.0 -50.1 360.0 -55.0 -79.0 -79.2 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 82 0, 0.0 2,-0.1 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 129.9 -61.7 -78.3 -78.9 39 42 A E - 0 0 165 33,-0.0 33,-0.0 0, 0.0 31,-0.0 -0.509 360.0 -7.8-154.6 77.2 -65.1 -79.3 -80.3 40 43 A G S S- 0 0 46 -2,-0.1 31,-0.1 2,-0.1 30,-0.0 -0.184 87.5-132.3 129.6 -42.6 -65.4 -78.9 -84.0 41 44 A V - 0 0 29 30,-0.1 31,-0.0 2,-0.0 30,-0.0 0.675 34.3 -73.2 63.2 132.4 -62.2 -77.2 -85.0 42 45 A P > - 0 0 60 0, 0.0 4,-0.6 0, 0.0 -2,-0.1 -0.185 29.7-158.1 -54.7 141.1 -62.1 -74.1 -87.4 43 46 A S T 4 S+ 0 0 62 2,-0.1 4,-0.0 3,-0.1 -2,-0.0 0.476 94.6 51.9 -97.6 -7.2 -62.8 -74.8 -91.1 44 47 A T T >> S+ 0 0 89 2,-0.2 3,-1.0 3,-0.1 4,-0.7 0.804 104.0 53.4 -94.9 -39.9 -61.0 -71.5 -92.0 45 48 A A H >> S+ 0 0 2 1,-0.3 4,-2.3 2,-0.2 3,-1.2 0.888 103.2 59.4 -62.1 -39.0 -57.8 -72.2 -90.0 46 49 A I H 3X S+ 0 0 42 -4,-0.6 4,-3.3 1,-0.3 -1,-0.3 0.717 102.0 53.8 -62.6 -20.9 -57.5 -75.5 -91.9 47 50 A R H <> S+ 0 0 165 -3,-1.0 4,-0.8 2,-0.2 -1,-0.3 0.659 105.0 53.0 -86.2 -17.9 -57.4 -73.5 -95.1 48 51 A E H X S+ 0 0 2 -4,-2.3 3,-1.6 2,-0.2 4,-1.3 0.979 109.6 53.5 -65.3 -59.4 -53.0 -74.8 -93.0 50 53 A S H 3X S+ 0 0 53 -4,-3.3 4,-0.5 1,-0.3 -1,-0.2 0.784 106.6 56.2 -48.3 -29.6 -53.9 -76.2 -96.4 51 54 A L H >< S+ 0 0 109 -4,-0.8 3,-0.8 1,-0.2 -1,-0.3 0.858 101.1 56.6 -71.8 -34.8 -52.2 -73.1 -97.8 52 55 A L H X< S+ 0 0 28 -3,-1.6 3,-1.4 -4,-1.1 11,-0.3 0.794 94.0 67.5 -66.8 -28.4 -49.0 -74.0 -96.0 53 56 A K H 3< S+ 0 0 56 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.813 101.5 47.8 -61.9 -30.3 -48.8 -77.4 -97.7 54 57 A E T << S+ 0 0 121 -3,-0.8 2,-1.6 -4,-0.5 -1,-0.3 0.463 87.1 96.5 -88.7 -2.3 -48.2 -75.6 -101.0 55 58 A L < + 0 0 14 -3,-1.4 2,-0.5 -4,-0.2 8,-0.2 -0.635 56.2 166.3 -88.5 80.4 -45.5 -73.5 -99.4 56 59 A N + 0 0 84 -2,-1.6 5,-0.1 6,-0.1 6,-0.1 -0.874 4.7 142.8-107.5 124.4 -42.5 -75.5 -100.4 57 60 A H > - 0 0 40 -2,-0.5 3,-2.0 3,-0.5 54,-0.0 -0.988 57.7-112.0-153.1 147.8 -39.0 -74.2 -100.2 58 61 A P T 3 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 80,-0.1 0.734 118.3 47.5 -57.7 -20.6 -35.6 -75.7 -99.2 59 62 A N T 3 S+ 0 0 7 80,-0.1 81,-2.6 48,-0.1 2,-0.4 0.077 99.2 78.3-110.0 23.5 -35.5 -73.6 -96.0 60 63 A I B < S-e 140 0B 8 -3,-2.0 -3,-0.5 79,-0.3 81,-0.2 -0.998 89.3-112.0-130.3 126.0 -39.0 -74.4 -94.9 61 64 A V - 0 0 11 79,-2.9 2,-0.2 -2,-0.4 -2,-0.1 -0.362 41.5-113.8 -58.2 125.2 -39.9 -77.7 -93.2 62 65 A K - 0 0 105 -2,-0.1 16,-2.2 -4,-0.1 2,-0.8 -0.461 17.9-144.9 -67.9 128.3 -42.1 -79.6 -95.6 63 66 A L E +D 77 0A 9 -11,-0.3 14,-0.2 -2,-0.2 3,-0.1 -0.853 21.7 179.9 -92.4 110.0 -45.7 -80.1 -94.4 64 67 A L E - 0 0 32 12,-2.5 2,-0.3 -2,-0.8 13,-0.2 0.897 57.0 -0.7 -79.9 -46.4 -46.5 -83.5 -95.8 65 68 A D E -D 76 0A 76 11,-1.5 11,-2.9 2,-0.0 2,-0.4 -0.984 49.8-152.6-147.4 156.5 -50.1 -84.1 -94.6 66 69 A V E -D 75 0A 42 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.987 19.1-174.9-132.3 118.3 -52.8 -82.5 -92.6 67 70 A I E -D 74 0A 51 7,-3.1 7,-3.5 -2,-0.4 2,-0.6 -0.965 9.0-167.8-123.4 123.5 -55.4 -84.8 -90.9 68 71 A H E +D 73 0A 85 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.934 29.4 136.4-109.9 116.8 -58.5 -83.7 -89.0 69 72 A T E > +D 72 0A 61 3,-2.6 3,-1.3 -2,-0.6 -2,-0.1 -0.947 59.9 5.3-160.8 139.4 -60.2 -86.3 -86.9 70 73 A E T 3 S- 0 0 159 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.927 124.3 -57.6 52.8 55.8 -61.8 -86.6 -83.4 71 74 A N T 3 S+ 0 0 82 1,-0.2 2,-0.4 -31,-0.1 -1,-0.3 0.655 118.9 115.3 53.0 13.2 -61.4 -83.0 -82.4 72 75 A K E < - D 0 69A 78 -3,-1.3 -3,-2.6 -31,-0.0 2,-0.5 -0.908 54.4-157.4-114.6 140.8 -57.8 -83.6 -83.1 73 76 A L E -CD 35 68A 4 -38,-0.9 -38,-4.1 -2,-0.4 2,-0.5 -0.977 10.9-165.0-120.0 118.5 -55.7 -81.9 -85.8 74 77 A Y E -CD 34 67A 25 -7,-3.5 -7,-3.1 -2,-0.5 2,-0.5 -0.896 5.2-166.8-108.7 133.0 -52.6 -83.8 -86.9 75 78 A L E -CD 33 66A 11 -42,-2.5 -42,-3.1 -2,-0.5 2,-0.6 -0.972 8.5-155.2-116.9 126.0 -49.8 -82.2 -89.0 76 79 A V E +CD 32 65A 2 -11,-2.9 -12,-2.5 -2,-0.5 -11,-1.5 -0.909 18.6 179.6-107.5 116.5 -47.3 -84.5 -90.6 77 80 A F E -CD 31 63A 40 -46,-3.1 -46,-2.7 -2,-0.6 -14,-0.2 -0.785 37.0 -97.5-114.8 157.0 -43.9 -82.9 -91.3 78 81 A E E -C 30 0A 48 -16,-2.2 2,-0.3 -2,-0.3 -48,-0.2 -0.432 51.4-114.4 -65.4 145.6 -40.7 -84.1 -92.7 79 82 A F - 0 0 39 -50,-0.8 2,-0.3 -2,-0.1 -1,-0.1 -0.692 30.3-173.0 -90.9 136.5 -38.3 -85.0 -89.8 80 83 A L - 0 0 18 -2,-0.3 53,-0.1 1,-0.1 3,-0.0 -0.957 24.0-132.5-122.2 146.1 -35.1 -83.1 -89.0 81 84 A H S S+ 0 0 101 -2,-0.3 2,-0.3 51,-0.3 52,-0.1 0.697 76.6 17.9 -77.6 -18.0 -32.7 -84.4 -86.4 82 85 A Q E -F 132 0B 15 50,-1.3 50,-3.0 211,-0.0 2,-0.3 -0.991 60.6-137.4-151.3 156.4 -31.9 -81.3 -84.4 83 86 A D E > -F 131 0B 50 -2,-0.3 4,-2.1 48,-0.3 48,-0.3 -0.726 32.0-111.7-109.6 163.6 -33.1 -77.8 -83.6 84 87 A L H > S+ 0 0 0 46,-3.0 4,-2.8 43,-1.1 44,-0.2 0.799 113.0 61.0 -65.8 -28.9 -31.0 -74.6 -83.3 85 88 A K H > S+ 0 0 80 42,-0.8 4,-2.2 45,-0.3 -1,-0.2 0.954 109.7 41.8 -63.2 -45.7 -31.6 -74.3 -79.6 86 89 A K H > S+ 0 0 128 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.910 114.8 50.7 -66.3 -42.4 -30.0 -77.6 -78.9 87 90 A F H X S+ 0 0 8 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.909 110.6 49.7 -62.8 -42.1 -27.2 -77.0 -81.4 88 91 A M H < S+ 0 0 20 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.904 112.3 47.5 -62.9 -40.8 -26.5 -73.6 -79.8 89 92 A D H >< S+ 0 0 99 -4,-2.2 3,-1.4 1,-0.2 4,-0.2 0.937 112.2 49.8 -65.4 -44.2 -26.4 -75.2 -76.4 90 93 A A H 3< S+ 0 0 76 -4,-3.0 3,-0.3 1,-0.3 -1,-0.2 0.761 114.0 46.0 -64.1 -25.2 -24.1 -77.9 -77.7 91 94 A S T 3X S+ 0 0 16 -4,-1.6 4,-3.3 -5,-0.2 -1,-0.3 0.239 80.9 108.5-102.3 12.7 -21.8 -75.2 -79.3 92 95 A A T <4 S+ 0 0 47 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.796 73.4 51.9 -60.5 -37.1 -21.7 -73.0 -76.2 93 96 A L T 4 S+ 0 0 171 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.901 129.8 16.1 -68.9 -41.1 -18.1 -73.6 -75.1 94 97 A T T 4 S- 0 0 112 -3,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.678 104.1-128.5-105.9 -25.2 -16.6 -72.8 -78.5 95 98 A G < - 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0 0 71 -28,-2.3 5,-0.1 -2,-0.2 -1,-0.1 -0.556 34.0 -87.5 -86.3 151.8 -26.3 -48.2 -75.9 244 247 A D >> - 0 0 107 -2,-0.2 3,-1.4 1,-0.2 4,-0.5 -0.380 35.8-138.1 -57.1 129.8 -23.2 -48.2 -78.2 245 248 A F H >> S+ 0 0 32 1,-0.3 4,-1.1 2,-0.2 3,-0.6 0.749 98.0 68.3 -64.9 -24.3 -24.0 -51.0 -80.7 246 249 A S H 34 S+ 0 0 51 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.663 97.8 53.7 -69.4 -16.1 -20.4 -52.3 -80.5 247 250 A K H <4 S+ 0 0 127 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.694 99.9 63.2 -90.1 -20.9 -21.1 -53.4 -76.9 248 251 A V H << S+ 0 0 27 -3,-0.6 -2,-0.2 -4,-0.5 -1,-0.1 0.909 117.8 14.6 -73.1 -46.1 -24.1 -55.4 -77.8 249 252 A V S >< S- 0 0 0 -4,-1.1 3,-2.7 3,-0.1 -1,-0.2 -0.260 89.2-160.7-127.8 50.0 -22.7 -58.1 -80.1 250 253 A P T 3 + 0 0 68 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.466 68.9 19.6 -70.0 148.0 -18.9 -58.1 -79.7 251 254 A P T 3 S+ 0 0 126 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 -0.667 86.7 124.7-106.5 46.5 -16.8 -59.2 -81.5 252 255 A L < - 0 0 6 -3,-2.7 -3,-0.1 1,-0.1 5,-0.1 -0.398 64.2-111.9 -61.9 136.1 -19.1 -59.3 -84.6 253 256 A D > - 0 0 58 1,-0.1 4,-2.5 -2,-0.1 3,-0.3 -0.099 29.0 -99.3 -66.4 167.3 -17.5 -57.4 -87.5 254 257 A E H > S+ 0 0 116 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.810 121.8 56.9 -60.5 -32.3 -18.9 -54.1 -88.8 255 258 A D H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 27,-0.3 0.928 111.9 43.9 -63.6 -43.2 -20.7 -55.8 -91.8 256 259 A G H > S+ 0 0 0 -3,-0.3 4,-3.0 2,-0.2 -2,-0.2 0.911 114.0 48.0 -66.8 -44.6 -22.5 -58.0 -89.3 257 260 A R H X S+ 0 0 59 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.902 110.9 52.7 -64.1 -40.6 -23.3 -55.2 -86.8 258 261 A S H X S+ 0 0 42 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.947 112.4 43.8 -60.7 -48.1 -24.6 -53.0 -89.7 259 262 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 3,-0.3 0.954 113.9 51.1 -62.1 -46.9 -27.0 -55.8 -90.9 260 263 A L H X S+ 0 0 0 -4,-3.0 4,-1.4 1,-0.2 3,-0.4 0.921 106.5 54.6 -57.4 -43.5 -28.1 -56.5 -87.3 261 264 A S H < S+ 0 0 30 -4,-2.9 -1,-0.2 1,-0.3 3,-0.2 0.878 108.7 48.4 -59.5 -37.7 -28.8 -52.8 -86.8 262 265 A Q H >< S+ 0 0 67 -4,-1.7 10,-2.2 -3,-0.3 3,-0.6 0.779 109.6 52.0 -74.2 -25.5 -31.1 -52.8 -89.8 263 266 A M H 3< S+ 0 0 0 -4,-1.7 -76,-0.3 -3,-0.4 -1,-0.2 0.705 112.8 47.1 -80.3 -18.3 -32.9 -55.9 -88.6 264 267 A L T 3< S+ 0 0 1 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.125 74.9 137.4-110.3 20.3 -33.5 -54.3 -85.2 265 268 A H < - 0 0 65 -3,-0.6 6,-0.2 1,-0.1 -3,-0.1 -0.426 54.2-135.5 -62.9 139.1 -34.8 -50.9 -86.3 266 269 A Y S S+ 0 0 13 -50,-0.1 -97,-0.2 -2,-0.1 -1,-0.1 0.947 86.6 77.7 -62.7 -48.9 -37.7 -49.9 -84.1 267 270 A D S >> S- 0 0 16 -44,-0.5 3,-2.6 1,-0.2 4,-2.1 -0.514 75.3-146.9 -69.4 112.4 -39.9 -48.7 -87.0 268 271 A P T 34 S+ 0 0 27 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.795 100.5 54.0 -47.6 -33.0 -41.4 -51.7 -88.8 269 272 A N T 34 S+ 0 0 149 1,-0.2 -2,-0.1 -89,-0.0 -3,-0.0 0.675 109.3 44.7 -79.5 -18.1 -41.2 -49.7 -92.0 270 273 A K T <4 S+ 0 0 95 -3,-2.6 -1,-0.2 2,-0.1 3,-0.1 0.726 89.6 106.4 -93.2 -24.6 -37.5 -48.9 -91.6 271 274 A R S < S- 0 0 13 -4,-2.1 -8,-0.2 -6,-0.2 -9,-0.1 -0.260 82.4-104.6 -56.5 132.8 -36.6 -52.5 -90.7 272 275 A I - 0 0 22 -10,-2.2 2,-0.1 -13,-0.2 -1,-0.1 -0.225 31.1-122.8 -61.7 146.7 -34.8 -54.2 -93.5 273 276 A S > - 0 0 60 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.481 21.5-114.5 -83.8 163.3 -36.8 -56.8 -95.6 274 277 A A H > S+ 0 0 3 2,-0.2 4,-1.8 1,-0.2 -161,-0.1 0.931 118.0 51.9 -62.1 -44.3 -35.5 -60.3 -96.0 275 278 A K H > S+ 0 0 171 1,-0.2 4,-0.6 2,-0.2 3,-0.2 0.939 112.7 43.0 -57.7 -50.5 -35.0 -59.7 -99.7 276 279 A A H >4 S+ 0 0 46 1,-0.2 3,-1.2 2,-0.2 4,-0.4 0.894 109.6 58.1 -64.3 -39.6 -32.9 -56.6 -99.1 277 280 A A H >< S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.3 -1,-0.2 0.847 98.1 60.9 -60.0 -33.7 -31.0 -58.3 -96.2 278 281 A L H 3< S+ 0 0 42 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.776 102.6 52.1 -64.7 -24.9 -29.9 -61.0 -98.6 279 282 A A T << S+ 0 0 85 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.474 83.7 122.6 -89.6 -2.3 -28.1 -58.3 -100.7 280 283 A H S X S- 0 0 18 -3,-1.4 3,-2.4 -4,-0.4 4,-0.1 -0.319 74.6-118.5 -64.9 140.6 -26.2 -56.9 -97.7 281 284 A P G > S+ 0 0 76 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.717 106.8 78.0 -48.7 -27.0 -22.4 -56.9 -97.9 282 285 A F G 3 S+ 0 0 0 -27,-0.3 3,-0.4 1,-0.3 -26,-0.1 0.832 94.3 49.3 -54.7 -31.6 -22.2 -59.2 -94.9 283 286 A F G X S+ 0 0 11 -3,-2.4 3,-1.8 -6,-0.2 -1,-0.3 0.295 75.4 106.4 -93.1 8.5 -23.1 -62.1 -97.2 284 287 A Q T < S+ 0 0 168 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.863 92.3 32.3 -55.6 -37.8 -20.5 -61.3 -99.9 285 288 A D T 3 S+ 0 0 104 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 -0.018 87.4 148.3-109.9 30.5 -18.4 -64.3 -98.8 286 289 A V < + 0 0 40 -3,-1.8 2,-0.2 -184,-0.1 -186,-0.1 -0.364 16.2 167.0 -67.9 143.2 -21.2 -66.6 -97.7 287 290 A T - 0 0 82 -188,-0.4 -2,-0.0 -2,-0.1 -1,-0.0 -0.782 39.9-107.3-141.1-177.9 -20.7 -70.3 -98.1 288 291 A K - 0 0 131 -2,-0.2 -188,-0.1 -185,-0.0 -151,-0.1 -0.761 38.1-172.5-124.8 86.7 -22.4 -73.5 -96.9 289 292 A P - 0 0 35 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.295 27.3-113.4 -73.1 160.1 -20.3 -75.2 -94.2 290 293 A V - 0 0 117 -2,-0.0 -155,-0.1 -154,-0.0 2,-0.1 -0.833 32.2-135.3 -94.2 125.3 -21.1 -78.7 -92.8 291 294 A P - 0 0 9 0, 0.0 2,-1.1 0, 0.0 -155,-0.1 -0.445 15.0-117.7 -80.9 158.1 -22.0 -78.5 -89.1 292 295 A H - 0 0 161 -2,-0.1 2,-0.5 2,-0.0 -158,-0.0 -0.811 42.3-176.3 -94.8 98.8 -20.7 -80.9 -86.5 293 296 A L - 0 0 25 -2,-1.1 2,-0.6 -159,-0.1 -159,-0.0 -0.857 18.3-163.0-102.8 129.3 -23.9 -82.6 -85.4 294 297 A R 0 0 181 -2,-0.5 -2,-0.0 1,-0.2 -204,-0.0 -0.955 360.0 360.0-109.3 113.4 -23.9 -85.2 -82.7 295 298 A L 0 0 117 -2,-0.6 -1,-0.2 -213,-0.0 -2,-0.0 0.737 360.0 360.0-107.2 360.0 -27.2 -87.1 -82.9