==== 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 18-FEB-11 3QRU . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.BETZI,R.ALAM,H.HAN,A.BECKER,E.SCHONBRUNN . 295 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14741.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 63.7 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 . 43 14.6 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 . 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 . 24 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 24.4 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 1 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 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 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 71 0, 0.0 69,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.5 -66.8 102.8 -73.2 2 2 A E + 0 0 163 3,-0.0 0, 0.0 0, 0.0 0, 0.0 0.391 360.0 66.7-132.3 -9.4 -66.6 103.1 -77.0 3 3 A N S S+ 0 0 87 21,-0.0 21,-0.6 20,-0.0 22,-0.5 0.054 94.0 78.4-101.2 22.6 -64.2 106.0 -77.3 4 4 A F E -A 23 0A 33 19,-0.2 2,-0.5 20,-0.1 19,-0.2 -0.992 61.4-155.7-136.5 141.6 -61.4 103.9 -75.8 5 5 A Q E -A 22 0A 80 17,-1.5 17,-1.6 -2,-0.4 -3,-0.0 -0.963 25.3-128.1-118.3 115.9 -59.1 101.2 -77.2 6 6 A K E -A 21 0A 122 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.342 24.7-179.9 -61.3 140.0 -57.6 98.8 -74.7 7 7 A V E - 0 0 56 13,-3.1 2,-0.3 1,-0.5 14,-0.2 0.719 67.5 -32.9-106.1 -42.5 -53.9 98.5 -75.0 8 8 A E E -A 20 0A 117 12,-1.2 12,-3.2 3,-0.0 2,-0.5 -0.940 66.8 -89.9-173.6 155.4 -53.5 95.9 -72.2 9 9 A K E -A 19 0A 113 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.658 27.1-165.5 -78.4 121.3 -55.0 95.0 -68.9 10 10 A I E - 0 0 71 8,-2.4 2,-0.3 -2,-0.5 9,-0.2 0.712 60.5 -73.6 -77.3 -21.9 -53.2 96.9 -66.1 11 11 A G E -A 18 0A 21 7,-1.7 7,-3.4 -3,-0.1 2,-0.9 -0.909 49.5 -67.5 153.2 179.6 -54.8 94.5 -63.6 12 12 A E E -A 17 0A 64 -2,-0.3 5,-0.2 5,-0.2 146,-0.2 -0.778 57.3-154.7-104.8 85.1 -57.9 93.4 -61.8 13 13 A G - 0 0 18 -2,-0.9 145,-0.4 3,-0.8 144,-0.3 0.263 32.6 -90.8 -47.8-179.9 -58.5 96.3 -59.5 14 14 A T S S+ 0 0 21 142,-0.2 143,-0.3 1,-0.2 -1,-0.1 0.663 124.3 19.8 -73.5 -16.3 -60.4 96.1 -56.2 15 15 A Y S S- 0 0 27 1,-0.4 21,-0.7 141,-0.2 2,-0.3 0.608 132.8 -16.0-123.4 -27.6 -63.8 96.8 -57.9 16 16 A G E S- B 0 35A 0 19,-0.2 -3,-0.8 142,-0.0 -1,-0.4 -0.928 82.7 -60.1-162.4-175.5 -63.3 96.0 -61.5 17 17 A V E -AB 12 34A 24 17,-0.7 17,-2.9 -2,-0.3 2,-0.5 -0.515 43.5-145.9 -80.4 150.2 -60.7 95.4 -64.3 18 18 A V E -AB 11 33A 21 -7,-3.4 -8,-2.4 15,-0.2 -7,-1.7 -0.966 15.6-173.0-120.8 128.8 -58.2 98.1 -65.2 19 19 A Y E -AB 9 32A 24 13,-2.5 13,-3.3 -2,-0.5 2,-0.6 -0.895 28.7-127.9-120.9 150.9 -57.0 98.7 -68.7 20 20 A K E +AB 8 31A 36 -12,-3.2 -13,-3.1 -2,-0.3 -12,-1.2 -0.860 48.8 178.2 -89.3 127.7 -54.4 100.9 -70.2 21 21 A A E -AB 6 30A 1 9,-2.8 9,-3.2 -2,-0.6 2,-0.5 -0.943 31.6-132.3-137.3 159.2 -56.4 102.6 -72.9 22 22 A R E -AB 5 29A 97 -17,-1.6 2,-2.1 -2,-0.3 -17,-1.5 -0.939 25.3-125.8-112.7 126.7 -56.1 105.3 -75.5 23 23 A N E > -A 4 0A 27 5,-3.7 4,-3.4 -2,-0.5 5,-0.5 -0.516 24.1-151.0 -71.3 84.4 -58.7 108.0 -75.8 24 24 A K T 4 S+ 0 0 129 -2,-2.1 -1,-0.2 -21,-0.6 -20,-0.1 0.681 91.4 41.3 -28.8 -34.5 -59.4 107.3 -79.5 25 25 A L T 4 S+ 0 0 151 -22,-0.5 -1,-0.2 1,-0.1 -2,-0.1 0.966 125.8 27.9 -83.0 -61.5 -60.3 111.0 -80.0 26 26 A T T 4 S- 0 0 87 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.609 93.4-129.4 -77.4 -14.0 -57.7 112.9 -77.9 27 27 A G < + 0 0 48 -4,-3.4 2,-0.2 1,-0.3 -3,-0.1 0.536 56.7 152.4 75.7 2.8 -54.9 110.3 -78.2 28 28 A E - 0 0 83 -5,-0.5 -5,-3.7 -6,-0.1 2,-0.5 -0.476 42.4-137.4 -69.2 133.9 -54.6 110.6 -74.4 29 29 A V E +B 22 0A 55 -7,-0.2 51,-0.9 -2,-0.2 2,-0.3 -0.848 35.9 166.3 -95.7 125.1 -53.3 107.5 -72.7 30 30 A V E -BC 21 79A 0 -9,-3.2 -9,-2.8 -2,-0.5 2,-0.6 -0.811 42.0-115.6-134.7 172.5 -55.2 106.6 -69.5 31 31 A A E -BC 20 78A 13 47,-2.5 47,-3.4 -2,-0.3 2,-0.6 -0.974 34.8-160.8-110.8 119.9 -55.9 104.0 -66.9 32 32 A L E -BC 19 77A 7 -13,-3.3 -13,-2.5 -2,-0.6 2,-0.5 -0.913 5.6-163.9-112.4 115.0 -59.5 102.9 -67.2 33 33 A K E -BC 18 76A 2 43,-2.8 43,-2.6 -2,-0.6 2,-0.6 -0.834 5.0-159.3 -98.3 128.9 -61.2 101.1 -64.3 34 34 A K E -BC 17 75A 46 -17,-2.9 -17,-0.7 -2,-0.5 2,-0.5 -0.944 5.1-168.3-109.9 118.6 -64.4 99.3 -65.0 35 35 A I E -BC 16 74A 6 39,-3.1 39,-2.4 -2,-0.6 2,-0.4 -0.933 16.2-139.1-109.8 122.7 -66.7 98.6 -62.1 36 36 A R E C 0 73A 142 -21,-0.7 37,-0.2 -2,-0.5 36,-0.1 -0.670 360.0 360.0 -80.8 127.1 -69.6 96.2 -62.6 37 37 A L 0 0 33 35,-2.2 -1,-0.2 -2,-0.4 3,-0.1 0.789 360.0 360.0 -97.1 360.0 -72.8 97.4 -60.9 38 ! 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 39 41 A T 0 0 138 0, 0.0 -2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -43.5 -76.1 94.3 -59.1 40 42 A E + 0 0 160 -3,-0.1 2,-0.5 1,-0.1 32,-0.0 0.811 360.0 87.9-106.2 -48.4 -79.3 96.3 -59.8 41 43 A G S S- 0 0 58 -4,-0.1 -1,-0.1 1,-0.1 0, 0.0 -0.411 79.0-128.7 -61.5 111.3 -79.6 98.9 -57.0 42 44 A V - 0 0 78 -2,-0.5 2,-2.0 1,-0.1 3,-0.2 -0.435 8.9-135.4 -66.7 123.4 -77.7 102.0 -58.2 43 45 A P > + 0 0 32 0, 0.0 4,-3.5 0, 0.0 5,-0.2 -0.446 37.1 163.6 -78.4 66.7 -75.2 103.3 -55.6 44 46 A S H > S+ 0 0 64 -2,-2.0 4,-2.5 2,-0.2 5,-0.2 0.925 76.5 46.0 -50.4 -52.3 -76.0 107.0 -55.9 45 47 A T H > S+ 0 0 82 -3,-0.2 4,-2.2 2,-0.2 3,-0.4 0.975 114.8 46.0 -56.1 -57.9 -74.3 107.8 -52.7 46 48 A A H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.894 113.4 52.1 -52.0 -43.0 -71.2 105.7 -53.5 47 49 A I H X S+ 0 0 22 -4,-3.5 4,-1.9 1,-0.2 -1,-0.2 0.865 108.5 48.7 -64.7 -37.8 -71.2 107.3 -57.0 48 50 A R H X S+ 0 0 144 -4,-2.5 4,-1.6 -3,-0.4 -1,-0.2 0.858 108.7 53.7 -71.9 -33.4 -71.3 110.9 -55.7 49 51 A E H >X S+ 0 0 44 -4,-2.2 4,-0.8 2,-0.2 3,-0.6 0.971 110.1 47.0 -61.4 -54.6 -68.5 110.3 -53.3 50 52 A I H >< S+ 0 0 8 -4,-2.0 3,-1.1 1,-0.2 4,-0.2 0.884 109.0 55.6 -53.3 -45.1 -66.2 109.0 -56.1 51 53 A S H >< S+ 0 0 34 -4,-1.9 3,-1.7 1,-0.3 -1,-0.2 0.832 99.0 59.4 -60.4 -35.8 -67.2 111.9 -58.3 52 54 A L H X< S+ 0 0 123 -4,-1.6 3,-1.6 -3,-0.6 4,-0.3 0.765 90.1 73.6 -65.3 -22.5 -66.1 114.5 -55.7 53 55 A L G X< S+ 0 0 34 -3,-1.1 3,-0.9 -4,-0.8 11,-0.4 0.644 78.1 77.5 -65.1 -13.9 -62.6 112.9 -55.9 54 56 A K G < S+ 0 0 65 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.718 90.4 52.5 -68.7 -22.9 -62.3 114.6 -59.3 55 57 A E G < S+ 0 0 135 -3,-1.6 2,-1.9 -4,-0.2 -1,-0.2 0.553 81.5 103.4 -88.2 -8.9 -61.5 118.0 -57.6 56 58 A L < + 0 0 15 -3,-0.9 2,-0.5 -4,-0.3 8,-0.3 -0.544 51.5 165.6 -75.0 83.7 -58.8 116.3 -55.5 57 59 A N + 0 0 82 -2,-1.9 5,-0.1 6,-0.1 -3,-0.0 -0.910 6.0 135.7-112.4 123.7 -55.8 117.7 -57.5 58 60 A H > - 0 0 41 -2,-0.5 3,-2.1 3,-0.4 54,-0.0 -0.981 60.8-110.0-158.3 148.3 -52.3 117.5 -56.2 59 61 A P T 3 S+ 0 0 88 0, 0.0 80,-0.1 0, 0.0 4,-0.1 0.731 118.6 47.4 -57.0 -21.4 -48.8 116.6 -57.6 60 62 A N T 3 S+ 0 0 7 80,-0.1 81,-3.0 48,-0.1 2,-0.4 0.074 98.9 80.3-109.5 24.2 -48.8 113.4 -55.5 61 63 A I B < S-e 141 0B 5 -3,-2.1 -3,-0.4 79,-0.3 2,-0.3 -0.998 83.9-120.0-129.3 128.2 -52.2 112.3 -56.3 62 64 A V - 0 0 10 79,-3.3 2,-0.2 -2,-0.4 81,-0.2 -0.517 41.4-112.1 -66.2 128.6 -53.1 110.4 -59.5 63 65 A K - 0 0 100 -2,-0.3 16,-2.2 1,-0.1 2,-1.0 -0.422 16.1-143.6 -68.4 131.9 -55.7 112.6 -61.3 64 66 A L E -D 78 0A 10 -11,-0.4 14,-0.2 -8,-0.3 3,-0.1 -0.860 21.8-177.0 -95.0 101.5 -59.2 111.2 -61.6 65 67 A L E - 0 0 31 12,-2.0 2,-0.3 -2,-1.0 -1,-0.2 0.916 56.6 -7.1 -68.4 -48.1 -60.1 112.5 -65.0 66 68 A D E -D 77 0A 83 11,-1.3 11,-2.7 2,-0.0 2,-0.4 -0.989 45.8-150.4-152.1 159.0 -63.7 111.3 -65.3 67 69 A V E -D 76 0A 22 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.947 22.0-172.7-132.3 108.2 -66.3 109.2 -63.7 68 70 A I E -D 75 0A 45 7,-2.5 7,-3.1 -2,-0.4 2,-0.7 -0.908 9.5-170.5-112.4 117.9 -68.9 107.7 -66.1 69 71 A H E +D 74 0A 82 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.908 32.6 134.7-104.2 112.1 -71.9 105.8 -64.9 70 72 A T E > +D 73 0A 51 3,-2.2 3,-1.1 -2,-0.7 -2,-0.1 -0.974 58.3 7.8-160.2 144.2 -73.6 104.1 -67.9 71 73 A E T 3 S- 0 0 158 -2,-0.3 -34,-0.1 1,-0.3 3,-0.1 0.839 127.1 -57.2 52.7 40.8 -75.2 100.7 -68.8 72 74 A N T 3 S+ 0 0 109 1,-0.2 -35,-2.2 -36,-0.1 2,-0.3 0.774 118.2 108.1 63.4 28.2 -74.9 99.4 -65.2 73 75 A K E < -CD 36 70A 65 -3,-1.1 -3,-2.2 -37,-0.2 2,-0.5 -0.948 58.7-147.7-132.7 151.2 -71.2 100.1 -65.2 74 76 A L E -CD 35 69A 0 -39,-2.4 -39,-3.1 -2,-0.3 2,-0.5 -0.984 15.4-163.7-123.0 118.8 -69.0 102.7 -63.5 75 77 A Y E -CD 34 68A 23 -7,-3.1 -7,-2.5 -2,-0.5 2,-0.5 -0.885 5.4-165.1-106.2 132.2 -65.9 103.8 -65.3 76 78 A L E -CD 33 67A 7 -43,-2.6 -43,-2.8 -2,-0.5 2,-0.7 -0.973 8.0-157.7-114.6 120.1 -63.1 105.7 -63.6 77 79 A V E -CD 32 66A 4 -11,-2.7 -12,-2.0 -2,-0.5 -11,-1.3 -0.887 16.0-175.1-102.1 116.7 -60.7 107.3 -66.0 78 80 A F E -CD 31 64A 24 -47,-3.4 -47,-2.5 -2,-0.7 -14,-0.2 -0.796 33.2-103.9-110.3 152.4 -57.3 108.0 -64.4 79 81 A E E -C 30 0A 51 -16,-2.2 2,-0.4 -2,-0.3 -49,-0.2 -0.496 48.7-115.6 -67.7 144.7 -54.2 109.8 -65.7 80 82 A F - 0 0 42 -51,-0.9 2,-0.3 -2,-0.1 -51,-0.1 -0.704 31.5-175.3 -91.0 133.7 -51.7 107.1 -66.6 81 83 A L - 0 0 15 -2,-0.4 53,-0.1 53,-0.1 3,-0.1 -0.897 29.3-123.6-119.9 154.4 -48.4 106.6 -64.9 82 84 A H S S+ 0 0 99 -2,-0.3 2,-0.3 51,-0.3 52,-0.1 0.693 79.4 13.0 -80.2 -16.7 -45.9 104.1 -66.1 83 85 A Q E -F 133 0B 27 50,-1.3 50,-3.2 211,-0.0 2,-0.2 -0.994 61.6-131.9-156.8 149.3 -45.2 101.8 -63.2 84 86 A D E > -F 132 0B 23 -2,-0.3 4,-2.0 48,-0.2 48,-0.3 -0.624 32.0-113.2 -97.8 162.3 -46.5 101.0 -59.7 85 87 A L H > S+ 0 0 0 46,-3.0 4,-3.0 43,-1.0 44,-0.2 0.790 112.7 61.9 -64.4 -29.3 -44.3 100.8 -56.6 86 88 A K H > S+ 0 0 45 42,-0.9 4,-2.3 45,-0.3 -1,-0.2 0.949 108.2 41.5 -61.8 -49.8 -44.9 97.1 -56.3 87 89 A K H > S+ 0 0 117 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.909 115.6 51.0 -64.6 -40.9 -43.3 96.3 -59.6 88 90 A F H X S+ 0 0 9 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.919 110.7 48.9 -63.0 -43.6 -40.5 98.8 -58.9 89 91 A M H < S+ 0 0 17 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.907 112.2 48.2 -63.3 -40.2 -39.8 97.2 -55.5 90 92 A D H >< S+ 0 0 101 -4,-2.3 3,-1.5 1,-0.2 4,-0.2 0.927 111.7 49.7 -65.1 -42.9 -39.7 93.7 -57.1 91 93 A A H 3< S+ 0 0 80 -4,-2.7 3,-0.2 1,-0.3 -1,-0.2 0.712 114.1 46.6 -67.2 -21.0 -37.4 95.0 -59.8 92 94 A S T 3X S+ 0 0 13 -4,-1.2 4,-3.8 -3,-0.2 -1,-0.3 0.240 81.8 106.8-102.9 9.9 -35.2 96.6 -57.1 93 95 A A T <4 S+ 0 0 46 -3,-1.5 -1,-0.1 1,-0.2 -2,-0.1 0.789 77.3 47.5 -61.9 -33.2 -35.2 93.5 -54.9 94 96 A L T 4 S+ 0 0 172 -4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.871 130.2 20.8 -77.3 -35.6 -31.6 92.4 -55.5 95 97 A T T 4 S- 0 0 112 -4,-0.2 -2,-0.2 -3,-0.1 -1,-0.1 0.683 102.6-131.9-105.0 -24.2 -30.1 95.8 -55.0 96 98 A G < - 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0 0 75 -28,-2.7 2,-0.1 1,-0.1 5,-0.1 -0.566 32.6 -93.5 -83.5 147.8 -39.7 93.4 -30.2 245 247 A D > - 0 0 106 -2,-0.2 3,-1.4 1,-0.2 4,-0.4 -0.406 36.5-137.5 -57.1 128.4 -36.6 95.5 -30.0 246 248 A F G >> S+ 0 0 32 1,-0.3 3,-1.5 2,-0.2 4,-0.9 0.788 96.4 69.6 -64.3 -29.1 -37.2 98.0 -32.8 247 249 A S G 34 S+ 0 0 55 1,-0.3 -1,-0.3 2,-0.2 6,-0.1 0.651 96.7 56.9 -63.0 -14.1 -33.6 97.8 -34.2 248 250 A K G <4 S+ 0 0 147 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.669 97.3 64.9 -88.6 -20.1 -34.5 94.3 -35.3 249 251 A V T <4 S+ 0 0 22 -3,-1.5 -2,-0.2 -4,-0.4 -1,-0.1 0.930 121.6 6.5 -71.3 -51.1 -37.4 95.5 -37.4 250 252 A V S >< S+ 0 0 0 -4,-0.9 3,-2.6 1,-0.1 -1,-0.2 -0.440 74.5 176.4-134.9 60.5 -35.8 97.7 -40.1 251 253 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.747 74.0 55.4 -33.0 -55.0 -32.0 97.1 -39.6 252 254 A P T 3 S+ 0 0 91 0, 0.0 2,-0.4 0, 0.0 -5,-0.0 0.639 89.8 101.4 -63.8 -7.0 -30.6 99.2 -42.5 253 255 A L S < S- 0 0 3 -3,-2.6 -3,-0.1 -6,-0.1 -61,-0.0 -0.626 70.6-131.0 -87.2 131.5 -32.5 102.2 -41.3 254 256 A D > - 0 0 60 -2,-0.4 4,-2.5 1,-0.1 3,-0.3 -0.172 35.8 -94.9 -67.9 169.5 -30.8 105.0 -39.3 255 257 A E H > S+ 0 0 115 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.806 123.8 55.3 -59.6 -34.4 -32.2 106.3 -36.0 256 258 A D H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 27,-0.3 0.921 111.1 45.5 -65.2 -43.2 -34.1 109.2 -37.7 257 259 A G H > S+ 0 0 0 -3,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.922 114.0 49.0 -64.6 -43.2 -35.9 106.7 -40.0 258 260 A R H X S+ 0 0 54 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.882 110.2 50.0 -66.0 -37.8 -36.6 104.3 -37.1 259 261 A S H X S+ 0 0 40 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.937 112.4 47.3 -67.5 -43.4 -38.0 107.1 -34.9 260 262 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.943 112.9 49.7 -61.4 -45.2 -40.3 108.3 -37.7 261 263 A L H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 3,-0.3 0.927 107.6 53.2 -60.4 -43.6 -41.4 104.8 -38.5 262 264 A S H < S+ 0 0 27 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.870 109.3 50.1 -60.4 -33.7 -42.2 104.1 -34.8 263 265 A Q H >< S+ 0 0 75 -4,-1.7 10,-2.1 1,-0.2 3,-0.7 0.795 109.1 50.4 -73.9 -28.5 -44.4 107.2 -34.7 264 266 A M H 3< S+ 0 0 0 -4,-1.6 -76,-0.2 -3,-0.3 -1,-0.2 0.703 113.0 49.0 -79.6 -19.5 -46.2 106.1 -37.9 265 267 A L T 3< S+ 0 0 0 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.083 74.5 137.4-108.6 22.6 -46.8 102.7 -36.3 266 268 A H < - 0 0 63 -3,-0.7 6,-0.2 1,-0.1 -3,-0.1 -0.466 53.9-136.0 -66.4 141.2 -48.2 103.7 -32.8 267 269 A Y S S+ 0 0 12 -2,-0.1 -97,-0.2 -50,-0.1 -1,-0.1 0.952 87.4 76.1 -62.2 -51.5 -51.1 101.5 -31.9 268 270 A D S >> S- 0 0 16 -44,-0.5 4,-2.1 1,-0.2 3,-1.9 -0.500 75.0-147.8 -67.6 115.5 -53.2 104.4 -30.6 269 271 A P T 34 S+ 0 0 29 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.814 100.8 56.3 -51.8 -30.5 -54.6 106.3 -33.7 270 272 A N T 34 S+ 0 0 151 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.712 109.3 42.9 -75.4 -24.2 -54.4 109.4 -31.5 271 273 A K T <4 S+ 0 0 106 -3,-1.9 -1,-0.2 2,-0.1 3,-0.1 0.695 90.0 105.9 -91.9 -23.2 -50.7 108.9 -30.8 272 274 A R S < S- 0 0 14 -4,-2.1 -8,-0.2 -6,-0.2 -9,-0.1 -0.339 81.6-108.0 -61.0 134.1 -49.9 108.0 -34.4 273 275 A I - 0 0 22 -10,-2.1 2,-0.1 -13,-0.2 -1,-0.1 -0.232 29.6-122.2 -64.4 148.4 -48.2 110.9 -36.2 274 276 A S > - 0 0 58 1,-0.1 4,-2.4 -3,-0.1 5,-0.1 -0.482 22.0-113.3 -86.8 164.9 -50.1 113.0 -38.8 275 277 A A H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -161,-0.1 0.924 117.5 52.6 -61.5 -44.6 -48.8 113.4 -42.3 276 278 A K H > S+ 0 0 168 1,-0.2 4,-0.6 2,-0.2 3,-0.2 0.935 112.4 42.3 -57.9 -50.8 -48.2 117.1 -41.6 277 279 A A H >4 S+ 0 0 49 1,-0.2 3,-1.2 2,-0.2 4,-0.4 0.888 109.9 59.2 -66.1 -36.0 -46.2 116.5 -38.5 278 280 A A H >< S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.870 97.1 60.7 -60.3 -36.3 -44.3 113.7 -40.2 279 281 A L H 3< S+ 0 0 43 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.765 103.3 51.8 -63.4 -22.4 -43.1 116.1 -43.0 280 282 A A T << S+ 0 0 85 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.484 83.2 122.9 -92.2 -3.2 -41.4 118.1 -40.3 281 283 A H S X S- 0 0 16 -3,-1.5 3,-2.2 -4,-0.4 4,-0.1 -0.266 73.8-120.1 -61.1 142.0 -39.6 115.0 -38.9 282 284 A P G > S+ 0 0 67 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.695 106.2 78.8 -56.7 -18.7 -35.7 115.3 -38.8 283 285 A F G 3 S+ 0 0 1 -27,-0.3 3,-0.4 1,-0.3 -26,-0.1 0.836 93.5 50.9 -59.6 -29.8 -35.6 112.2 -41.1 284 286 A F G X S+ 0 0 12 -3,-2.2 3,-1.4 -6,-0.2 -1,-0.3 0.285 75.2 105.6 -93.1 11.9 -36.4 114.6 -43.9 285 287 A Q T < S+ 0 0 177 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.906 93.2 31.1 -57.0 -42.9 -33.7 117.2 -43.2 286 288 A D T 3 S+ 0 0 104 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.096 87.4 148.2-103.7 23.2 -31.6 116.0 -46.1 287 289 A V < + 0 0 39 -3,-1.4 2,-0.2 -184,-0.1 -186,-0.1 -0.305 17.0 168.8 -62.0 139.5 -34.5 114.9 -48.4 288 290 A T - 0 0 82 -188,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.737 38.2-109.5-135.4-176.8 -33.8 115.3 -52.2 289 291 A K - 0 0 127 -2,-0.2 -188,-0.1 -185,-0.1 -151,-0.1 -0.721 37.9-175.1-126.2 83.6 -35.6 114.2 -55.3 290 292 A P - 0 0 35 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.246 27.1-114.6 -73.1 165.5 -33.6 111.5 -57.1 291 293 A V - 0 0 111 -154,-0.0 2,-0.2 3,-0.0 -155,-0.1 -0.862 29.0-135.9 -99.2 129.3 -34.5 110.0 -60.5 292 294 A P - 0 0 8 0, 0.0 2,-0.9 0, 0.0 -155,-0.1 -0.519 15.5-119.6 -84.8 157.0 -35.3 106.3 -60.4 293 295 A H - 0 0 133 -2,-0.2 2,-0.4 2,-0.0 -158,-0.0 -0.845 41.1-174.0 -94.3 107.7 -34.0 103.9 -63.0 294 296 A L - 0 0 24 -2,-0.9 2,-0.7 -159,-0.1 -206,-0.0 -0.888 22.0-156.9-110.4 136.4 -37.1 102.5 -64.6 295 297 A R 0 0 198 -2,-0.4 -204,-0.0 1,-0.2 -2,-0.0 -0.948 360.0 360.0-108.5 109.5 -37.4 99.8 -67.1 296 298 A L 0 0 139 -2,-0.7 -1,-0.2 -213,-0.0 0, 0.0 0.755 360.0 360.0-106.2 360.0 -40.7 100.3 -69.0