==== 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 28-FEB-11 3QWJ . 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) . 14767.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 64.6 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 . 41 13.9 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 . 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 . 24 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 24.8 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 1 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 . 1 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 69 0, 0.0 3,-0.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-137.4 -52.8 -92.6 -48.1 2 2 A E + 0 0 160 1,-0.2 22,-0.0 3,-0.1 3,-0.0 0.528 360.0 66.4 -93.0 -9.6 -52.5 -96.4 -48.8 3 3 A N S S+ 0 0 100 1,-0.1 21,-1.7 20,-0.1 2,-0.5 0.480 96.9 66.4 -88.2 -3.9 -50.8 -95.7 -52.2 4 4 A F E S-A 23 0A 19 -3,-0.3 2,-0.8 19,-0.2 19,-0.2 -0.966 71.4-150.2-125.0 119.2 -47.8 -94.3 -50.3 5 5 A Q E -A 22 0A 89 17,-2.4 17,-2.1 -2,-0.5 2,-0.2 -0.784 28.9-128.9 -86.8 113.1 -45.6 -96.3 -48.0 6 6 A K E -A 21 0A 116 -2,-0.8 15,-0.3 15,-0.2 3,-0.1 -0.425 26.3-177.0 -64.1 131.7 -44.4 -93.8 -45.4 7 7 A V E - 0 0 68 13,-3.3 2,-0.3 1,-0.4 14,-0.2 0.800 63.8 -31.6 -97.5 -39.8 -40.6 -93.8 -45.0 8 8 A E E -A 20 0A 114 12,-1.4 12,-3.3 3,-0.0 2,-0.7 -0.922 61.8 -97.1-175.7 152.8 -40.3 -91.2 -42.2 9 9 A K E -A 19 0A 108 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.718 29.1-167.2 -81.6 117.2 -42.0 -88.1 -40.7 10 10 A I E - 0 0 77 8,-2.2 2,-0.3 -2,-0.7 9,-0.2 0.896 52.2 -80.9 -71.8 -40.9 -40.1 -85.1 -42.1 11 11 A G E -A 18 0A 23 7,-1.6 7,-2.6 -3,-0.1 2,-1.1 -0.992 49.9 -55.0 166.1-172.4 -41.7 -82.7 -39.7 12 12 A E - 0 0 68 -2,-0.3 5,-0.2 5,-0.2 145,-0.1 -0.574 64.1-156.2 -96.5 66.7 -44.6 -80.5 -38.6 13 13 A G - 0 0 16 -2,-1.1 143,-0.3 3,-0.4 -2,-0.0 0.196 32.0 -90.3 -39.9 161.5 -44.7 -78.4 -41.8 14 14 A T S S+ 0 0 33 1,-0.2 142,-0.2 141,-0.1 -1,-0.1 0.870 126.6 21.6 -42.9 -50.8 -46.2 -74.9 -41.9 15 15 A Y S S- 0 0 26 1,-0.2 21,-0.7 140,-0.1 2,-0.3 0.772 132.6 -41.0 -93.1 -30.3 -49.7 -76.2 -42.7 16 16 A G E S- B 0 35A 2 19,-0.2 -3,-0.4 139,-0.1 19,-0.2 -0.900 83.3 -28.0-170.0-161.4 -49.4 -79.8 -41.5 17 17 A V E - B 0 34A 24 17,-0.6 17,-3.1 -2,-0.3 2,-0.4 -0.471 49.1-155.7 -74.7 142.7 -47.5 -83.1 -41.1 18 18 A V E -AB 11 33A 18 -7,-2.6 -8,-2.2 15,-0.2 -7,-1.6 -0.978 10.5-175.0-124.5 130.9 -44.9 -84.0 -43.7 19 19 A Y E -AB 9 32A 37 13,-3.0 13,-3.3 -2,-0.4 2,-0.6 -0.907 28.5-129.4-122.8 149.9 -43.7 -87.4 -44.6 20 20 A K E +AB 8 31A 42 -12,-3.3 -13,-3.3 -2,-0.3 -12,-1.4 -0.867 47.6 177.5 -89.8 129.2 -41.1 -88.8 -46.9 21 21 A A E -AB 6 30A 0 9,-3.2 9,-3.4 -2,-0.6 2,-0.4 -0.953 28.8-138.0-138.1 158.0 -43.0 -91.4 -48.8 22 22 A R E -AB 5 29A 92 -17,-2.1 -17,-2.4 -2,-0.3 2,-0.7 -0.956 21.8-126.4-118.0 134.6 -42.6 -93.8 -51.6 23 23 A N E > -A 4 0A 29 5,-3.1 4,-3.4 -2,-0.4 -19,-0.2 -0.674 16.2-151.0 -77.1 113.0 -45.2 -94.5 -54.3 24 24 A K T 4 S+ 0 0 118 -21,-1.7 -1,-0.2 -2,-0.7 -20,-0.1 0.812 94.2 44.5 -54.9 -30.9 -45.7 -98.2 -54.2 25 25 A L T 4 S+ 0 0 156 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.970 127.3 22.9 -77.9 -60.1 -46.5 -98.1 -57.9 26 26 A T T 4 S- 0 0 87 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.693 91.6-132.8 -82.7 -21.5 -43.8 -95.9 -59.4 27 27 A G < + 0 0 28 -4,-3.4 -3,-0.1 1,-0.3 2,-0.1 0.474 54.0 153.9 79.2 0.3 -41.3 -96.4 -56.6 28 28 A E - 0 0 84 -5,-0.2 -5,-3.1 -6,-0.1 2,-0.5 -0.388 41.1-137.9 -64.3 135.2 -40.9 -92.6 -56.7 29 29 A V E +B 22 0A 46 -7,-0.2 50,-0.6 -3,-0.1 2,-0.3 -0.860 36.1 163.0 -98.2 128.0 -39.8 -91.1 -53.4 30 30 A V E -BC 21 78A 0 -9,-3.4 -9,-3.2 -2,-0.5 2,-0.5 -0.837 42.5-108.7-138.3 172.8 -41.7 -87.9 -52.6 31 31 A A E -BC 20 77A 13 46,-2.3 46,-2.8 -2,-0.3 2,-0.5 -0.932 33.1-161.5-105.0 130.7 -42.5 -85.5 -49.8 32 32 A L E -BC 19 76A 3 -13,-3.3 -13,-3.0 -2,-0.5 2,-0.5 -0.964 3.3-165.8-119.5 120.6 -46.2 -85.8 -48.7 33 33 A K E -BC 18 75A 8 42,-2.7 42,-2.4 -2,-0.5 2,-0.6 -0.926 6.9-153.7-109.5 125.8 -47.7 -82.9 -46.8 34 34 A K E -BC 17 74A 53 -17,-3.1 -17,-0.6 -2,-0.5 2,-0.3 -0.867 15.9-165.1 -98.0 122.7 -51.1 -83.5 -45.0 35 35 A I E BC 16 73A 9 38,-3.5 38,-2.1 -2,-0.6 -19,-0.2 -0.855 360.0 360.0-112.5 146.3 -53.1 -80.3 -44.6 36 36 A R 0 0 130 -21,-0.7 4,-0.2 -2,-0.3 -1,-0.1 0.974 360.0 360.0 -60.9 360.0 -56.1 -79.6 -42.3 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 0 111 0, 0.0 34,-0.0 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 130.3 -61.5 -77.3 -40.9 39 42 A E - 0 0 148 0, 0.0 32,-0.1 0, 0.0 0, 0.0 0.108 360.0 -46.1-120.2 18.0 -65.0 -77.7 -42.3 40 43 A G S S- 0 0 18 31,-0.2 31,-0.2 -4,-0.2 32,-0.1 0.446 90.9 -84.7 129.7 7.9 -64.0 -79.7 -45.4 41 44 A V - 0 0 7 30,-0.2 30,-0.1 32,-0.0 5,-0.1 0.864 59.3 -83.8 61.0 110.7 -61.0 -77.8 -46.8 42 45 A P > - 0 0 57 0, 0.0 4,-0.6 0, 0.0 -2,-0.0 0.048 24.2-148.2 -41.7 141.6 -61.9 -74.9 -49.1 43 46 A S H > S+ 0 0 84 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.673 96.5 68.2 -86.2 -20.7 -62.7 -75.6 -52.8 44 47 A T H > S+ 0 0 100 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.908 98.2 50.8 -63.2 -42.2 -61.3 -72.1 -53.6 45 48 A A H > S+ 0 0 1 1,-0.2 4,-3.8 2,-0.2 5,-0.3 0.838 101.5 63.9 -64.7 -34.0 -57.8 -73.4 -52.6 46 49 A I H X S+ 0 0 47 -4,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.941 105.0 42.9 -56.3 -51.5 -58.2 -76.4 -54.8 47 50 A R H X S+ 0 0 201 -4,-1.4 4,-1.1 2,-0.2 -1,-0.2 0.915 118.3 48.0 -61.6 -42.1 -58.4 -74.4 -58.0 48 51 A E H >X S+ 0 0 19 -4,-1.7 4,-1.2 2,-0.2 3,-1.1 0.980 113.3 43.9 -61.7 -60.9 -55.5 -72.2 -56.7 49 52 A I H >X S+ 0 0 1 -4,-3.8 3,-1.2 1,-0.3 4,-0.6 0.928 109.4 58.3 -50.7 -50.5 -53.2 -75.1 -55.7 50 53 A S H >< S+ 0 0 37 -4,-2.6 3,-0.8 -5,-0.3 4,-0.3 0.798 100.8 57.6 -50.7 -33.3 -54.0 -76.9 -58.9 51 54 A L H X< S+ 0 0 95 -4,-1.1 3,-1.6 -3,-1.1 -1,-0.3 0.861 96.9 61.5 -67.8 -35.6 -52.7 -73.9 -60.8 52 55 A L H X< S+ 0 0 23 -3,-1.2 3,-1.0 -4,-1.2 11,-0.4 0.656 86.1 76.3 -65.9 -15.1 -49.3 -74.2 -59.1 53 56 A K T << S+ 0 0 79 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.813 94.5 50.2 -66.1 -27.0 -48.9 -77.6 -60.6 54 57 A E T < S+ 0 0 139 -3,-1.6 2,-2.0 -4,-0.3 -1,-0.3 0.530 82.6 99.5 -88.1 -5.5 -48.0 -75.9 -63.9 55 58 A L < + 0 0 15 -3,-1.0 2,-0.5 -4,-0.3 8,-0.2 -0.563 55.9 165.5 -81.3 78.8 -45.5 -73.6 -62.2 56 59 A N + 0 0 79 -2,-2.0 5,-0.1 6,-0.1 -3,-0.0 -0.870 5.2 142.0-106.6 125.0 -42.5 -75.7 -63.2 57 60 A H > - 0 0 39 -2,-0.5 3,-2.2 3,-0.5 54,-0.0 -0.979 57.3-112.9-155.3 147.4 -38.9 -74.4 -63.0 58 61 A P T 3 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.751 118.2 46.9 -56.6 -25.6 -35.6 -75.9 -62.1 59 62 A N T 3 S+ 0 0 9 80,-0.1 81,-2.9 48,-0.1 2,-0.4 0.123 99.1 81.3-105.7 22.0 -35.3 -73.8 -59.0 60 63 A I B < S-e 140 0B 8 -3,-2.2 -3,-0.5 79,-0.3 2,-0.2 -0.993 86.8-117.1-126.1 123.7 -38.9 -74.5 -57.8 61 64 A V - 0 0 10 79,-2.6 82,-0.2 -2,-0.4 81,-0.2 -0.401 42.0-115.0 -57.9 120.3 -39.8 -77.6 -55.9 62 65 A K - 0 0 101 -2,-0.2 16,-2.4 -4,-0.1 2,-0.9 -0.390 15.1-142.5 -66.9 130.8 -42.2 -79.4 -58.3 63 66 A L E -D 77 0A 13 -11,-0.4 14,-0.2 -8,-0.2 3,-0.1 -0.845 22.0-178.2 -90.6 107.4 -45.7 -79.8 -57.0 64 67 A L E - 0 0 33 12,-2.3 2,-0.3 -2,-0.9 13,-0.2 0.873 57.4 -7.2 -77.7 -40.1 -46.6 -83.2 -58.3 65 68 A D E -D 76 0A 84 11,-1.6 11,-2.9 2,-0.0 2,-0.5 -0.995 46.6-148.3-160.1 152.4 -50.2 -83.6 -57.1 66 69 A V E -D 75 0A 21 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.992 21.4-172.8-122.2 125.9 -52.9 -82.0 -55.0 67 70 A I E -D 74 0A 45 7,-3.1 7,-3.6 -2,-0.5 2,-0.6 -0.937 7.7-172.3-129.1 111.9 -55.3 -84.5 -53.4 68 71 A H E +D 73 0A 68 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.890 27.9 141.5-101.2 122.1 -58.4 -83.3 -51.6 69 72 A T E > -D 72 0A 36 3,-3.2 3,-2.2 -2,-0.6 -2,-0.1 -0.942 57.7 -4.0-164.8 139.7 -60.2 -86.2 -49.8 70 73 A E T 3 S- 0 0 149 -2,-0.3 3,-0.1 1,-0.3 -30,-0.1 0.882 125.6 -51.8 42.2 58.4 -62.0 -86.9 -46.5 71 74 A N T 3 S+ 0 0 105 -31,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.588 120.5 108.5 60.2 10.7 -61.5 -83.5 -45.0 72 75 A K E < - D 0 69A 51 -3,-2.2 -3,-3.2 -32,-0.1 2,-0.5 -0.921 56.1-154.7-118.8 144.3 -57.7 -83.9 -45.7 73 76 A L E -CD 35 68A 2 -38,-2.1 -38,-3.5 -2,-0.4 2,-0.5 -0.980 12.6-163.7-119.1 121.2 -55.7 -82.1 -48.3 74 77 A Y E -CD 34 67A 27 -7,-3.6 -7,-3.1 -2,-0.5 2,-0.5 -0.907 5.2-166.7-110.2 131.0 -52.5 -83.8 -49.6 75 78 A L E -CD 33 66A 3 -42,-2.4 -42,-2.7 -2,-0.5 2,-0.6 -0.966 7.3-157.9-115.3 126.9 -49.7 -82.1 -51.4 76 79 A V E -CD 32 65A 4 -11,-2.9 -12,-2.3 -2,-0.5 -11,-1.6 -0.935 17.6-177.1-109.9 122.2 -47.2 -84.3 -53.2 77 80 A F E -CD 31 63A 19 -46,-2.8 -46,-2.3 -2,-0.6 -14,-0.2 -0.842 35.9 -96.2-120.5 155.8 -43.9 -82.7 -53.9 78 81 A E E -C 30 0A 51 -16,-2.4 2,-0.4 -2,-0.3 -48,-0.2 -0.375 53.5-118.3 -58.7 140.7 -40.6 -83.6 -55.6 79 82 A F + 0 0 41 -50,-0.6 2,-0.4 -49,-0.0 -1,-0.1 -0.743 33.5 177.7 -96.0 137.3 -38.3 -84.8 -52.8 80 83 A L - 0 0 15 -2,-0.4 53,-0.1 53,-0.1 52,-0.0 -0.991 27.3-134.8-132.3 139.4 -35.0 -83.1 -51.8 81 84 A H S S+ 0 0 107 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.674 76.0 23.0 -70.7 -22.9 -32.9 -84.4 -48.9 82 85 A Q E -F 132 0B 31 50,-1.1 50,-2.7 4,-0.0 2,-0.2 -0.983 61.0-138.0-147.6 156.0 -32.0 -81.2 -47.0 83 86 A D E > -F 131 0B 20 -2,-0.3 4,-1.8 48,-0.3 48,-0.2 -0.690 32.2-111.5-109.1 166.0 -33.1 -77.6 -46.5 84 87 A L H > S+ 0 0 0 46,-2.8 4,-2.8 43,-1.2 44,-0.2 0.766 113.1 62.0 -68.0 -26.5 -30.9 -74.5 -46.3 85 88 A K H > S+ 0 0 81 42,-0.7 4,-2.0 45,-0.3 -1,-0.2 0.945 107.5 43.0 -64.6 -46.9 -31.5 -74.0 -42.6 86 89 A K H > S+ 0 0 117 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.904 114.8 51.5 -63.9 -40.3 -29.9 -77.4 -41.7 87 90 A F H X S+ 0 0 8 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.905 109.2 49.2 -64.6 -42.1 -27.1 -76.7 -44.2 88 91 A M H < S+ 0 0 17 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.892 111.5 49.4 -65.4 -37.3 -26.4 -73.3 -42.7 89 92 A D H >< S+ 0 0 105 -4,-2.0 3,-1.2 1,-0.2 4,-0.3 0.918 111.9 49.1 -65.0 -41.9 -26.3 -74.8 -39.2 90 93 A A H 3< S+ 0 0 80 -4,-2.4 3,-0.2 1,-0.3 -1,-0.2 0.717 114.1 45.2 -68.3 -24.4 -23.9 -77.5 -40.5 91 94 A S T 3X S+ 0 0 15 -4,-1.4 4,-3.3 1,-0.2 -1,-0.3 0.185 82.6 110.1-103.1 13.4 -21.7 -74.9 -42.1 92 95 A A T <4 S+ 0 0 45 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.871 75.8 46.7 -56.5 -44.1 -21.8 -72.7 -39.0 93 96 A L T 4 S+ 0 0 170 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.864 129.9 20.3 -70.2 -37.9 -18.2 -73.2 -37.9 94 97 A T T 4 S- 0 0 115 -4,-0.2 -2,-0.2 -3,-0.0 -1,-0.2 0.672 103.8-131.5-104.9 -23.4 -16.6 -72.7 -41.3 95 98 A G < - 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0 0 69 -28,-2.7 2,-0.1 1,-0.1 5,-0.1 -0.543 34.0 -90.7 -82.4 149.8 -26.4 -48.0 -39.2 244 247 A D > - 0 0 110 -2,-0.2 3,-1.4 1,-0.2 4,-0.3 -0.423 37.9-135.3 -58.0 129.3 -23.4 -47.9 -41.4 245 248 A F G >> S+ 0 0 31 1,-0.3 3,-1.7 2,-0.2 4,-0.9 0.790 98.0 68.6 -61.1 -32.6 -24.0 -50.7 -43.9 246 249 A S G 34 S+ 0 0 57 1,-0.3 -1,-0.3 2,-0.2 6,-0.1 0.625 96.9 58.1 -63.0 -11.4 -20.4 -52.1 -43.7 247 250 A K G <4 S+ 0 0 136 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.678 97.0 63.5 -90.8 -19.3 -21.3 -53.1 -40.2 248 251 A V T <4 S+ 0 0 22 -3,-1.7 -2,-0.2 -4,-0.3 -1,-0.1 0.910 118.2 11.4 -75.6 -47.0 -24.3 -55.3 -41.2 249 252 A V S >< S- 0 0 0 -4,-0.9 3,-2.6 3,-0.1 -1,-0.2 -0.266 89.9-158.5-130.3 50.1 -22.7 -58.0 -43.3 250 253 A P T 3 + 0 0 70 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.428 69.6 21.7 -67.2 149.6 -19.0 -57.9 -42.8 251 254 A P T 3 S+ 0 0 125 0, 0.0 -4,-0.1 0, 0.0 -5,-0.0 -0.737 87.9 124.1-102.1 39.2 -16.8 -59.0 -44.5 252 255 A L < - 0 0 8 -3,-2.6 -3,-0.1 1,-0.1 -61,-0.0 -0.303 63.2-114.3 -57.6 138.3 -19.0 -59.1 -47.6 253 256 A D > - 0 0 59 1,-0.1 4,-2.9 -3,-0.1 3,-0.3 -0.211 29.0 -98.7 -71.3 166.1 -17.5 -57.1 -50.5 254 257 A E H > S+ 0 0 112 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.777 122.3 57.4 -58.3 -31.4 -19.1 -53.9 -52.0 255 258 A D H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 27,-0.3 0.957 113.1 41.4 -63.0 -47.8 -20.7 -55.8 -54.9 256 259 A G H > S+ 0 0 0 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.922 115.8 48.7 -63.2 -46.3 -22.5 -58.0 -52.3 257 260 A R H X S+ 0 0 67 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.901 110.3 52.9 -61.8 -40.4 -23.3 -55.1 -50.0 258 261 A S H X S+ 0 0 37 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.939 111.7 44.5 -60.1 -48.3 -24.6 -53.1 -52.9 259 262 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.945 113.6 50.3 -63.8 -44.7 -27.0 -55.8 -54.0 260 263 A L H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 3,-0.4 0.923 106.8 54.8 -60.6 -42.7 -28.1 -56.5 -50.4 261 264 A S H < S+ 0 0 30 -4,-2.8 -1,-0.2 1,-0.2 3,-0.2 0.880 109.3 48.4 -59.1 -36.0 -28.8 -52.8 -49.9 262 265 A Q H >< S+ 0 0 64 -4,-1.7 10,-2.4 1,-0.2 3,-0.6 0.784 109.3 52.1 -75.2 -24.1 -31.0 -52.8 -53.0 263 266 A M H 3< S+ 0 0 0 -4,-1.6 -76,-0.3 -3,-0.4 -1,-0.2 0.687 113.2 46.5 -81.9 -17.7 -32.9 -56.0 -51.8 264 267 A L T 3< S+ 0 0 1 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.128 74.7 137.2-111.2 17.9 -33.5 -54.3 -48.4 265 268 A H < - 0 0 63 -3,-0.6 6,-0.2 1,-0.1 -3,-0.1 -0.415 54.6-134.4 -62.1 141.7 -34.7 -50.9 -49.5 266 269 A Y S S+ 0 0 14 -50,-0.1 -97,-0.2 4,-0.1 -1,-0.1 0.945 87.4 76.8 -62.7 -50.5 -37.7 -49.9 -47.4 267 270 A D S >> S- 0 0 26 -44,-0.5 3,-2.1 1,-0.2 4,-1.9 -0.502 75.5-147.5 -66.3 115.2 -39.9 -48.7 -50.2 268 271 A P T 34 S+ 0 0 25 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.842 99.7 56.1 -53.1 -31.0 -41.3 -51.9 -51.9 269 272 A N T 34 S+ 0 0 150 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.668 108.5 44.3 -76.6 -16.8 -41.2 -49.9 -55.2 270 273 A K T <4 S+ 0 0 136 -3,-2.1 -1,-0.2 2,-0.1 3,-0.1 0.690 89.3 108.0 -95.8 -22.6 -37.5 -49.0 -54.8 271 274 A R S < S- 0 0 13 -4,-1.9 -8,-0.2 -6,-0.2 -9,-0.1 -0.267 81.7-104.1 -57.7 135.0 -36.6 -52.6 -53.8 272 275 A I - 0 0 21 -10,-2.4 2,-0.1 -13,-0.2 -1,-0.1 -0.252 31.9-123.6 -62.7 145.7 -34.8 -54.4 -56.6 273 276 A S > - 0 0 60 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.474 21.6-113.7 -83.9 165.3 -36.7 -56.9 -58.7 274 277 A A H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -161,-0.1 0.937 118.4 51.4 -63.6 -44.3 -35.4 -60.5 -59.0 275 278 A K H > S+ 0 0 168 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.906 112.3 44.9 -58.6 -45.1 -34.8 -59.9 -62.8 276 279 A A H >4 S+ 0 0 46 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.898 109.0 56.5 -67.5 -39.8 -32.8 -56.8 -62.1 277 280 A A H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.3 6,-0.2 0.854 97.8 62.9 -60.9 -34.5 -30.8 -58.4 -59.3 278 281 A L H 3< S+ 0 0 41 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.815 103.1 50.2 -60.4 -28.2 -29.7 -61.2 -61.7 279 282 A A T << S+ 0 0 82 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.442 83.1 122.8 -89.6 -1.5 -27.9 -58.5 -63.7 280 283 A H S X S- 0 0 18 -3,-1.6 3,-2.5 -4,-0.3 4,-0.1 -0.350 74.6-118.8 -64.7 139.1 -26.1 -57.0 -60.6 281 284 A P G > S+ 0 0 70 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.709 106.7 79.5 -50.6 -23.1 -22.3 -57.0 -60.9 282 285 A F G 3 S+ 0 0 1 -27,-0.3 3,-0.5 1,-0.3 -26,-0.1 0.849 92.8 50.1 -56.5 -30.5 -22.2 -59.2 -57.9 283 286 A F G X S+ 0 0 12 -3,-2.5 3,-1.9 -6,-0.2 -1,-0.3 0.363 75.6 106.5 -92.1 8.9 -23.0 -62.1 -60.2 284 287 A Q T < S+ 0 0 182 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.864 92.4 31.5 -55.6 -36.8 -20.3 -61.4 -62.8 285 288 A D T 3 S+ 0 0 107 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.044 87.0 148.5-110.6 27.9 -18.2 -64.3 -61.6 286 289 A V < + 0 0 40 -3,-1.9 2,-0.2 -184,-0.1 -186,-0.1 -0.294 16.2 168.6 -64.9 145.2 -21.0 -66.7 -60.5 287 290 A T - 0 0 80 -188,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.781 39.1-109.3-141.2-177.7 -20.4 -70.4 -60.8 288 291 A K - 0 0 132 -2,-0.2 -188,-0.1 -185,-0.1 -151,-0.1 -0.724 38.7-172.6-126.5 81.6 -22.2 -73.5 -59.6 289 292 A P - 0 0 34 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.181 27.5-111.7 -68.4 164.5 -20.1 -75.2 -56.9 290 293 A V - 0 0 116 -154,-0.0 -155,-0.1 2,-0.0 2,-0.1 -0.874 32.1-137.4 -98.4 123.6 -20.8 -78.6 -55.4 291 294 A P - 0 0 10 0, 0.0 2,-1.0 0, 0.0 -155,-0.1 -0.438 16.8-115.8 -80.1 159.7 -21.9 -78.4 -51.8 292 295 A H + 0 0 141 -2,-0.1 2,-0.5 2,-0.0 -158,-0.0 -0.821 43.2 179.5 -96.1 97.2 -20.6 -80.9 -49.2 293 296 A L - 0 0 10 -2,-1.0 2,-0.7 -159,-0.1 -159,-0.0 -0.889 19.5-165.1-105.2 127.8 -23.8 -82.7 -48.1 294 297 A R 0 0 189 -2,-0.5 -2,-0.0 1,-0.2 -1,-0.0 -0.810 360.0 360.0-111.7 89.6 -23.7 -85.4 -45.5 295 298 A L 0 0 134 -2,-0.7 -1,-0.2 -213,-0.0 -2,-0.0 0.799 360.0 360.0 -81.2 360.0 -27.1 -87.2 -45.9