==== 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 20-APR-11 3RM7 . 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) . 14842.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 62.9 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 . 36 12.2 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 . 21 7.1 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 . 76 25.9 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 3 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 1 1 2 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 67 0, 0.0 3,-0.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-176.6 -79.7 -57.7 -48.5 2 2 A E T 3 + 0 0 172 1,-0.2 3,-0.1 3,-0.1 22,-0.0 0.385 360.0 67.6 -88.8 2.7 -79.3 -61.3 -49.6 3 3 A N T 3 S+ 0 0 94 1,-0.1 21,-2.3 21,-0.1 2,-0.4 0.475 101.2 54.7 -96.5 -7.1 -77.5 -60.1 -52.8 4 4 A F B < -A 23 0A 20 -3,-0.7 2,-0.9 19,-0.2 19,-0.2 -0.987 67.5-148.8-132.5 139.1 -74.6 -58.9 -50.7 5 5 A Q - 0 0 93 17,-1.6 17,-0.4 -2,-0.4 -3,-0.1 -0.805 32.6-128.4-106.9 89.0 -72.3 -60.6 -48.1 6 6 A K - 0 0 121 -2,-0.9 15,-0.3 -5,-0.2 3,-0.1 -0.088 25.2-172.4 -38.0 109.7 -71.4 -57.8 -45.7 7 7 A V - 0 0 66 13,-2.5 2,-0.3 1,-0.3 14,-0.2 0.950 61.5 -35.4 -74.0 -51.4 -67.6 -58.1 -45.6 8 8 A E E -B 20 0B 133 12,-1.1 12,-2.2 -3,-0.0 2,-0.9 -0.941 63.8 -88.4-159.6 176.4 -67.3 -55.5 -42.8 9 9 A K E -B 19 0B 114 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.837 31.2-168.4 -99.0 97.5 -68.7 -52.3 -41.4 10 10 A I E - 0 0 83 -2,-0.9 2,-0.3 8,-0.6 9,-0.2 0.790 55.6 -89.7 -56.2 -27.5 -66.7 -49.6 -43.2 11 11 A G E -B 18 0B 25 7,-1.7 7,-2.7 -3,-0.1 2,-0.3 -0.991 41.6 -67.1 152.5-159.5 -68.2 -47.2 -40.7 12 12 A E E -B 17 0B 100 -2,-0.3 5,-0.2 5,-0.2 21,-0.0 -0.788 46.0-168.5-138.4 92.6 -71.1 -44.9 -39.9 13 13 A G - 0 0 15 3,-1.3 142,-0.1 -2,-0.3 143,-0.0 0.202 44.1 -86.9 -65.6-169.8 -71.4 -41.8 -42.1 14 14 A T S S+ 0 0 26 1,-0.2 -1,-0.1 142,-0.1 3,-0.1 0.342 127.8 41.9 -85.2 6.7 -73.7 -38.8 -41.6 15 15 A Y S S- 0 0 32 1,-0.5 21,-1.5 136,-0.1 2,-0.3 0.668 124.5 -60.8-117.0 -41.6 -76.5 -40.6 -43.4 16 16 A G S S- 0 0 2 19,-0.2 -3,-1.3 20,-0.1 -1,-0.5 -0.971 74.6 -32.6 177.6-168.7 -76.3 -44.1 -42.1 17 17 A V E -B 12 0B 28 -2,-0.3 17,-2.3 -5,-0.2 2,-0.4 -0.431 50.3-151.7 -72.6 144.3 -74.2 -47.2 -41.7 18 18 A V E -BC 11 33B 18 -7,-2.7 -7,-1.7 15,-0.2 -8,-0.6 -0.974 12.1-171.0-121.2 133.4 -71.8 -48.1 -44.5 19 19 A Y E -BC 9 32B 41 13,-3.0 13,-3.5 -2,-0.4 2,-0.5 -0.895 25.8-131.1-123.6 150.7 -70.7 -51.6 -45.3 20 20 A K E -BC 8 31B 47 -12,-2.2 -13,-2.5 -2,-0.3 -12,-1.1 -0.869 44.4-179.0 -92.8 131.1 -68.1 -53.1 -47.6 21 21 A A E - C 0 30B 0 9,-2.9 9,-3.1 -2,-0.5 2,-0.5 -0.968 28.1-139.3-138.6 155.1 -70.0 -55.7 -49.5 22 22 A R E - C 0 29B 100 -17,-0.4 -17,-1.6 -2,-0.3 2,-0.6 -0.958 25.8-123.7-116.6 123.0 -69.5 -58.4 -52.1 23 23 A N B > -A 4 0A 32 5,-3.2 4,-2.5 -2,-0.5 -19,-0.2 -0.517 17.4-144.9 -64.9 111.4 -72.0 -58.9 -54.8 24 24 A K T 4 S+ 0 0 100 -21,-2.3 -1,-0.2 -2,-0.6 -20,-0.1 0.855 95.4 32.9 -45.4 -43.2 -72.9 -62.7 -54.5 25 25 A L T 4 S+ 0 0 162 -22,-0.4 -1,-0.1 1,-0.1 -2,-0.0 0.978 126.6 31.9 -78.9 -75.9 -73.3 -62.8 -58.3 26 26 A T T 4 S- 0 0 95 1,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.747 92.0-134.3 -56.5 -27.9 -70.8 -60.4 -60.0 27 27 A G < + 0 0 20 -4,-2.5 -1,-0.1 1,-0.3 -3,-0.1 0.431 52.6 153.3 84.1 -2.7 -68.3 -60.9 -57.2 28 28 A E - 0 0 88 -5,-0.1 -5,-3.2 -6,-0.1 2,-0.5 -0.327 41.7-138.3 -61.3 137.2 -67.9 -57.1 -57.3 29 29 A V E +C 22 0B 53 -7,-0.2 50,-0.7 -3,-0.1 2,-0.2 -0.900 36.6 163.3-101.5 126.2 -66.7 -55.5 -54.0 30 30 A V E -CD 21 78B 0 -9,-3.1 -9,-2.9 -2,-0.5 2,-0.5 -0.794 42.2-108.1-136.1 175.0 -68.6 -52.3 -53.3 31 31 A A E -CD 20 77B 14 46,-2.7 46,-3.0 -2,-0.2 2,-0.6 -0.954 32.9-160.2-109.8 124.2 -69.5 -49.8 -50.6 32 32 A L E -CD 19 76B 4 -13,-3.5 -13,-3.0 -2,-0.5 2,-0.5 -0.927 4.6-167.1-112.6 121.8 -73.1 -50.1 -49.5 33 33 A K E -CD 18 75B 12 42,-2.7 42,-2.6 -2,-0.6 2,-0.7 -0.939 9.7-153.3-112.5 121.8 -74.7 -47.2 -47.7 34 34 A K E - D 0 74B 46 -17,-2.3 2,-0.3 -2,-0.5 40,-0.2 -0.846 22.2-139.0 -91.5 114.5 -78.0 -47.7 -45.9 35 35 A I E D 0 73B 12 38,-3.9 38,-0.8 -2,-0.7 -19,-0.2 -0.618 360.0 360.0 -82.4 133.5 -79.7 -44.2 -45.9 36 36 A R 0 0 130 -21,-1.5 -1,-0.1 -2,-0.3 -20,-0.1 0.918 360.0 360.0 -46.7 360.0 -81.5 -43.2 -42.7 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 95 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 -53.4 -86.8 -43.0 -42.3 39 42 A E - 0 0 178 33,-0.0 33,-0.1 0, 0.0 32,-0.1 -0.299 360.0 -8.7-150.0 59.5 -90.4 -43.7 -43.0 40 43 A G S S- 0 0 41 31,-0.2 31,-0.2 2,-0.1 32,-0.1 -0.043 82.5-122.6 145.9 -40.5 -91.4 -43.4 -46.7 41 44 A V - 0 0 21 30,-0.2 5,-0.1 1,-0.0 30,-0.1 0.922 33.0-102.2 65.7 100.0 -88.4 -42.0 -48.6 42 45 A P > - 0 0 81 0, 0.0 4,-1.8 0, 0.0 3,-0.2 -0.228 18.8-142.2 -52.3 129.9 -89.3 -38.8 -50.6 43 46 A S H > S+ 0 0 60 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.770 103.7 60.6 -65.9 -25.4 -89.8 -39.5 -54.3 44 47 A T H > S+ 0 0 90 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.910 104.5 50.0 -66.5 -40.1 -88.1 -36.1 -54.9 45 48 A A H > S+ 0 0 3 -3,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.916 108.3 50.3 -64.6 -46.2 -85.1 -37.5 -53.2 46 49 A I H X S+ 0 0 39 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.861 111.2 49.3 -63.7 -33.8 -85.0 -40.7 -55.2 47 50 A R H X S+ 0 0 138 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.924 112.3 47.6 -70.0 -44.4 -85.2 -38.8 -58.5 48 51 A E H >X S+ 0 0 69 -4,-2.1 4,-0.9 2,-0.2 3,-0.5 0.957 114.5 46.6 -57.4 -54.6 -82.4 -36.4 -57.5 49 52 A I H >X S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.2 4,-0.5 0.928 107.3 56.6 -55.0 -50.8 -80.2 -39.3 -56.4 50 53 A S H >< S+ 0 0 50 -4,-2.5 3,-1.2 1,-0.3 4,-0.3 0.818 99.7 60.2 -53.1 -34.5 -80.9 -41.3 -59.6 51 54 A L H X< S+ 0 0 119 -4,-1.5 3,-1.6 -3,-0.5 4,-0.3 0.849 95.5 63.9 -63.3 -32.7 -79.7 -38.4 -61.7 52 55 A L H X< S+ 0 0 18 -3,-1.4 3,-1.1 -4,-0.9 11,-0.4 0.669 81.8 76.6 -66.6 -18.0 -76.3 -38.8 -59.9 53 56 A K T << S+ 0 0 62 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.720 96.0 51.2 -65.2 -17.7 -75.8 -42.2 -61.4 54 57 A E T < S+ 0 0 144 -3,-1.6 2,-1.9 -4,-0.3 -1,-0.3 0.592 82.1 96.8 -94.0 -12.1 -74.9 -40.4 -64.6 55 58 A L < + 0 0 17 -3,-1.1 2,-0.5 -4,-0.3 8,-0.2 -0.534 56.9 164.6 -78.5 77.5 -72.4 -38.0 -63.0 56 59 A N + 0 0 71 -2,-1.9 5,-0.1 6,-0.1 -3,-0.0 -0.855 5.6 141.4-107.6 130.9 -69.3 -40.1 -63.9 57 60 A H > - 0 0 44 3,-0.5 3,-2.1 -2,-0.5 5,-0.1 -0.968 57.7-109.7-159.7 147.0 -65.7 -38.8 -63.8 58 61 A P T 3 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.722 118.7 47.1 -55.1 -24.6 -62.3 -40.3 -62.7 59 62 A N T 3 S+ 0 0 8 80,-0.1 81,-2.7 48,-0.1 2,-0.4 0.161 99.0 80.3-106.4 19.4 -62.1 -38.2 -59.6 60 63 A I B < S-f 140 0C 7 -3,-2.1 -3,-0.5 79,-0.3 2,-0.4 -0.994 87.0-116.2-126.0 125.3 -65.7 -38.8 -58.5 61 64 A V - 0 0 9 79,-2.5 81,-0.2 -2,-0.4 82,-0.2 -0.452 41.2-115.3 -61.3 118.4 -66.6 -42.0 -56.6 62 65 A K - 0 0 97 -2,-0.4 16,-2.5 1,-0.1 2,-0.9 -0.345 14.7-143.5 -64.3 129.3 -69.0 -43.8 -58.9 63 66 A L E -E 77 0B 10 -11,-0.4 14,-0.3 14,-0.2 3,-0.1 -0.828 21.8-178.0 -90.6 104.7 -72.6 -44.3 -57.7 64 67 A L E - 0 0 32 12,-1.9 2,-0.3 -2,-0.9 13,-0.2 0.903 56.4 -5.1 -73.7 -44.5 -73.4 -47.7 -59.1 65 68 A D E -E 76 0B 80 11,-1.6 11,-3.1 2,-0.0 2,-0.5 -0.999 46.8-147.3-154.7 153.7 -77.0 -48.2 -58.0 66 69 A V E -E 75 0B 29 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.993 22.0-169.9-121.0 122.1 -79.8 -46.7 -56.0 67 70 A I E -E 74 0B 45 7,-3.1 7,-3.0 -2,-0.5 2,-0.6 -0.945 4.9-167.5-121.8 114.8 -82.1 -49.2 -54.4 68 71 A H E +E 73 0B 92 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.880 25.1 146.3-102.7 116.7 -85.4 -48.2 -52.8 69 72 A T E > -E 72 0B 37 3,-3.4 3,-2.0 -2,-0.6 -2,-0.1 -0.960 58.8 -12.2-155.7 135.0 -87.0 -50.8 -50.6 70 73 A E T 3 S- 0 0 148 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.887 122.6 -51.2 43.9 62.2 -89.2 -51.0 -47.4 71 74 A N T 3 S+ 0 0 88 -31,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.568 122.2 111.0 58.4 4.7 -88.7 -47.4 -46.2 72 75 A K E < - E 0 69B 91 -3,-2.0 -3,-3.4 -32,-0.1 2,-0.5 -0.911 52.9-162.8-113.3 138.8 -85.0 -48.2 -46.6 73 76 A L E -DE 35 68B 3 -38,-0.8 -38,-3.9 -2,-0.4 2,-0.4 -0.985 5.7-167.1-122.5 126.4 -82.8 -46.6 -49.3 74 77 A Y E -DE 34 67B 29 -7,-3.0 -7,-3.1 -2,-0.5 2,-0.5 -0.942 4.8-161.1-116.5 135.6 -79.4 -48.2 -50.2 75 78 A L E -DE 33 66B 0 -42,-2.6 -42,-2.7 -2,-0.4 2,-0.6 -0.962 8.0-153.9-114.5 128.3 -76.7 -46.5 -52.3 76 79 A V E -DE 32 65B 7 -11,-3.1 -12,-1.9 -2,-0.5 -11,-1.6 -0.924 19.0-179.0-106.8 124.7 -74.1 -48.7 -53.9 77 80 A F E -DE 31 63B 17 -46,-3.0 -46,-2.7 -2,-0.6 -14,-0.2 -0.862 36.4 -95.4-121.9 154.0 -70.8 -47.1 -54.6 78 81 A E E -D 30 0B 48 -16,-2.5 2,-0.4 -2,-0.3 -48,-0.2 -0.370 51.6-118.6 -61.1 145.8 -67.5 -48.1 -56.1 79 82 A F - 0 0 43 -50,-0.7 2,-0.4 -18,-0.0 -1,-0.1 -0.747 30.8-178.1 -97.4 136.3 -65.2 -49.2 -53.3 80 83 A L - 0 0 16 -2,-0.4 53,-0.1 53,-0.1 52,-0.0 -0.976 26.5-132.0-127.7 144.2 -61.8 -47.5 -52.4 81 84 A H S S+ 0 0 110 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.662 77.2 21.5 -73.8 -19.9 -59.6 -48.8 -49.6 82 85 A Q E -G 132 0C 18 50,-1.2 50,-2.9 4,-0.0 2,-0.2 -0.997 60.4-138.3-150.8 152.4 -58.7 -45.6 -47.7 83 86 A D E > -G 131 0C 48 -2,-0.3 4,-1.9 48,-0.3 48,-0.2 -0.654 32.3-112.2-104.6 165.7 -59.9 -42.1 -47.0 84 87 A L H > S+ 0 0 0 46,-2.6 4,-2.8 43,-1.1 5,-0.2 0.801 113.2 62.5 -68.0 -27.9 -57.7 -39.0 -46.7 85 88 A K H > S+ 0 0 100 42,-0.8 4,-2.0 45,-0.3 -1,-0.2 0.957 107.9 42.6 -61.9 -48.1 -58.3 -38.6 -43.0 86 89 A K H > S+ 0 0 129 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.923 114.2 51.5 -63.5 -42.8 -56.7 -41.9 -42.3 87 90 A F H X S+ 0 0 9 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.888 108.6 51.0 -61.8 -41.5 -53.8 -41.2 -44.8 88 91 A M H < S+ 0 0 19 -4,-2.8 4,-0.4 2,-0.2 3,-0.3 0.929 110.8 48.5 -63.4 -42.6 -53.1 -37.9 -43.2 89 92 A D H >< S+ 0 0 101 -4,-2.0 3,-1.3 1,-0.2 4,-0.3 0.933 111.9 49.4 -61.5 -45.2 -53.0 -39.5 -39.7 90 93 A A H 3< S+ 0 0 80 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.743 115.7 44.3 -64.5 -23.3 -50.7 -42.2 -41.1 91 94 A S T 3X S+ 0 0 16 -4,-1.4 4,-3.4 -3,-0.3 3,-0.4 0.357 82.0 108.7-102.4 4.0 -48.5 -39.5 -42.6 92 95 A A T <4 S+ 0 0 47 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.1 0.750 73.2 54.1 -51.8 -35.2 -48.5 -37.2 -39.5 93 96 A L T 4 S+ 0 0 164 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.905 128.0 14.0 -70.7 -43.6 -44.9 -37.8 -38.6 94 97 A T T 4 S- 0 0 124 -3,-0.4 -2,-0.2 1,-0.1 -1,-0.1 0.621 105.2-126.8-106.7 -18.8 -43.2 -36.9 -41.8 95 98 A G < - 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0 0 66 -28,-2.7 2,-0.3 -2,-0.1 -1,-0.1 -0.595 27.1 -93.9 -95.1 161.0 -53.2 -12.5 -39.9 244 247 A D >> - 0 0 106 -2,-0.2 3,-2.0 1,-0.1 4,-0.9 -0.550 24.2-136.9 -74.7 130.6 -50.4 -13.0 -42.5 245 248 A F H >> S+ 0 0 19 -2,-0.3 4,-1.9 1,-0.3 3,-0.5 0.821 102.9 70.5 -57.5 -28.7 -50.8 -16.1 -44.6 246 249 A S H 34 S+ 0 0 54 1,-0.3 -1,-0.3 2,-0.2 6,-0.1 0.817 103.2 42.7 -59.0 -27.6 -47.1 -16.7 -44.1 247 250 A K H <4 S+ 0 0 132 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.668 109.7 60.1 -91.3 -17.2 -48.0 -17.6 -40.5 248 251 A V H << S+ 0 0 24 -4,-0.9 -2,-0.2 -3,-0.5 -3,-0.1 0.929 121.4 12.0 -77.8 -48.4 -51.1 -19.6 -41.4 249 252 A V S >< S- 0 0 0 -4,-1.9 3,-2.3 3,-0.1 -1,-0.2 -0.199 91.3-161.2-126.6 48.1 -49.7 -22.4 -43.6 250 253 A P T 3 + 0 0 66 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.393 67.8 24.3 -65.3 149.6 -45.9 -22.3 -43.2 251 254 A P T 3 S+ 0 0 127 0, 0.0 -5,-0.1 0, 0.0 -4,-0.1 -0.800 87.4 122.9-100.6 34.0 -43.7 -23.4 -44.9 252 255 A L < - 0 0 8 -3,-2.3 -3,-0.1 1,-0.1 5,-0.0 -0.244 63.2-115.1 -54.3 135.5 -45.9 -23.4 -48.0 253 256 A D > - 0 0 60 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.139 29.4 -97.2 -68.4 167.6 -44.3 -21.4 -50.9 254 257 A E H > S+ 0 0 111 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.781 122.4 56.1 -60.3 -30.7 -45.9 -18.2 -52.4 255 258 A D H > S+ 0 0 74 2,-0.2 4,-2.5 1,-0.2 27,-0.3 0.953 112.8 43.6 -63.2 -47.4 -47.6 -20.1 -55.3 256 259 A G H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.918 114.5 47.8 -61.3 -48.1 -49.3 -22.3 -52.7 257 260 A R H X S+ 0 0 63 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.884 110.9 53.2 -61.8 -40.2 -50.2 -19.4 -50.4 258 261 A S H X S+ 0 0 37 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.960 110.7 45.4 -60.4 -51.9 -51.5 -17.4 -53.3 259 262 A L H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 3,-0.3 0.940 113.3 50.6 -57.9 -46.3 -53.8 -20.2 -54.4 260 263 A L H >X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 3,-0.5 0.919 106.2 54.3 -59.0 -44.6 -55.0 -20.8 -50.9 261 264 A S H 3< S+ 0 0 29 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.862 109.1 49.2 -59.9 -33.4 -55.8 -17.1 -50.3 262 265 A Q H 3< S+ 0 0 66 -4,-1.7 10,-2.5 -3,-0.3 3,-0.5 0.762 109.7 50.9 -75.8 -25.6 -58.0 -17.2 -53.4 263 266 A M H << S+ 0 0 0 -4,-1.4 -76,-0.2 -3,-0.5 -1,-0.2 0.691 113.7 47.1 -81.1 -18.9 -59.8 -20.3 -52.3 264 267 A L S < S+ 0 0 1 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.163 75.3 137.3-109.5 15.8 -60.4 -18.6 -48.9 265 268 A H - 0 0 67 -3,-0.5 6,-0.2 1,-0.1 -3,-0.1 -0.378 54.6-134.3 -59.7 140.8 -61.7 -15.3 -50.0 266 269 A Y S S+ 0 0 15 -50,-0.1 -97,-0.2 4,-0.1 -1,-0.1 0.952 87.9 75.2 -63.3 -49.7 -64.7 -14.3 -47.9 267 270 A D S >> S- 0 0 16 -44,-0.5 3,-1.9 1,-0.2 4,-1.9 -0.524 75.0-148.2 -69.6 115.9 -66.9 -13.1 -50.7 268 271 A P T 34 S+ 0 0 22 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.855 99.4 57.5 -52.0 -34.0 -68.2 -16.3 -52.5 269 272 A N T 34 S+ 0 0 150 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.722 108.7 42.3 -71.3 -22.5 -68.2 -14.2 -55.6 270 273 A K T <4 S+ 0 0 105 -3,-1.9 -1,-0.2 2,-0.1 3,-0.1 0.696 89.9 108.3 -94.8 -20.4 -64.5 -13.4 -55.4 271 274 A R S < S- 0 0 13 -4,-1.9 -8,-0.2 -6,-0.2 -9,-0.1 -0.262 81.9-102.8 -57.6 136.8 -63.6 -16.9 -54.3 272 275 A I - 0 0 22 -10,-2.5 2,-0.1 -13,-0.2 -1,-0.1 -0.278 32.0-123.9 -64.7 145.6 -61.7 -18.7 -57.2 273 276 A S > - 0 0 59 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.482 21.5-114.3 -83.7 161.8 -63.6 -21.3 -59.3 274 277 A A H > S+ 0 0 3 1,-0.2 4,-1.7 2,-0.2 -161,-0.1 0.934 118.1 52.0 -60.5 -44.0 -62.3 -24.9 -59.6 275 278 A K H > S+ 0 0 167 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.922 112.1 44.5 -58.4 -45.9 -61.7 -24.3 -63.3 276 279 A A H >4 S+ 0 0 48 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.871 108.6 57.4 -67.8 -36.6 -59.7 -21.1 -62.6 277 280 A A H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 6,-0.2 0.843 97.1 63.2 -63.6 -33.0 -57.7 -22.8 -59.8 278 281 A L H 3< S+ 0 0 40 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.816 102.6 50.2 -60.7 -29.8 -56.5 -25.5 -62.2 279 282 A A T << S+ 0 0 84 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.405 83.3 123.3 -88.6 0.9 -54.7 -22.8 -64.2 280 283 A H S X S- 0 0 17 -3,-1.6 3,-2.4 -4,-0.2 4,-0.1 -0.376 74.8-117.7 -66.2 140.4 -53.0 -21.3 -61.1 281 284 A P G > S+ 0 0 79 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.683 107.2 78.7 -50.0 -21.7 -49.1 -21.2 -61.4 282 285 A F G > S+ 0 0 0 -27,-0.3 3,-0.5 1,-0.3 -26,-0.1 0.849 93.3 50.0 -58.0 -32.3 -49.0 -23.6 -58.3 283 286 A F G X S+ 0 0 11 -3,-2.4 3,-1.5 -6,-0.2 -1,-0.3 0.274 75.8 107.7 -91.3 12.4 -49.8 -26.5 -60.7 284 287 A Q G < S+ 0 0 161 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.883 92.2 29.7 -59.0 -36.2 -47.1 -25.6 -63.2 285 288 A D G < S+ 0 0 98 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.097 87.5 149.5-111.3 25.1 -45.0 -28.6 -62.1 286 289 A V < + 0 0 40 -3,-1.5 2,-0.2 -184,-0.1 -186,-0.1 -0.233 15.6 169.1 -62.2 145.1 -47.8 -30.9 -61.0 287 290 A T - 0 0 82 -188,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.755 38.4-108.7-140.3-176.4 -47.2 -34.7 -61.4 288 291 A K - 0 0 132 -2,-0.2 -188,-0.1 -185,-0.0 -151,-0.1 -0.735 37.4-177.2-127.1 82.5 -48.9 -37.9 -60.2 289 292 A P - 0 0 37 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.293 27.1-119.5 -72.3 160.4 -46.8 -39.6 -57.5 290 293 A V - 0 0 107 -2,-0.0 -155,-0.1 -154,-0.0 -156,-0.1 -0.908 27.9-131.3-105.7 129.6 -47.9 -42.9 -56.0 291 294 A P - 0 0 16 0, 0.0 2,-1.1 0, 0.0 -155,-0.1 -0.368 17.1-114.1 -76.4 158.0 -48.5 -42.9 -52.3 292 295 A H - 0 0 165 -2,-0.1 2,-0.5 2,-0.0 -158,-0.0 -0.819 44.5-175.2 -92.5 100.2 -47.2 -45.4 -49.8 293 296 A L - 0 0 25 -2,-1.1 2,-0.7 -159,-0.1 -159,-0.0 -0.885 17.9-162.0-105.4 128.4 -50.4 -47.1 -48.8 294 297 A R 0 0 186 -2,-0.5 -2,-0.0 1,-0.2 0, 0.0 -0.935 360.0 360.0-108.0 110.2 -50.5 -49.7 -46.1 295 298 A L 0 0 117 -2,-0.7 -1,-0.2 -213,-0.0 -2,-0.0 0.716 360.0 360.0-106.2 360.0 -53.8 -51.6 -46.4