==== 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 27-APR-11 3RPV . 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) . 14839.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 60.5 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 . 33 11.2 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 . 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 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 0 107 0, 0.0 2,-4.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 143.3 79.5 127.5 -84.3 2 2 A E + 0 0 148 2,-0.3 22,-0.0 1,-0.3 0, 0.0 -0.104 360.0 59.4 56.4 -45.7 79.9 131.2 -85.1 3 3 A N S S+ 0 0 78 -2,-4.1 21,-1.3 20,-0.1 22,-0.4 0.467 106.4 58.4 -87.1 -1.4 78.0 130.7 -88.4 4 4 A F E -A 23 0A 27 19,-0.2 2,-0.7 20,-0.1 -2,-0.3 -0.976 68.7-147.1-133.1 144.0 75.0 129.5 -86.5 5 5 A Q E -A 22 0A 82 17,-1.6 17,-1.2 -2,-0.4 2,-0.1 -0.921 27.5-130.0-110.1 106.0 72.8 130.9 -83.8 6 6 A K E -A 21 0A 108 -2,-0.7 15,-0.2 15,-0.2 3,-0.1 -0.364 26.4-178.7 -55.8 123.6 71.6 128.2 -81.5 7 7 A V E - 0 0 61 13,-3.0 2,-0.3 1,-0.4 14,-0.2 0.811 63.9 -24.4 -93.0 -37.8 67.9 128.7 -81.2 8 8 A E E -A 20 0A 118 12,-1.6 12,-3.3 0, 0.0 2,-0.5 -0.938 62.4-103.4-173.3 147.2 67.3 125.8 -78.8 9 9 A K E -A 19 0A 108 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.698 29.6-172.4 -79.7 122.4 68.7 122.5 -77.6 10 10 A I E - 0 0 82 8,-2.5 2,-0.3 -2,-0.5 9,-0.2 0.805 58.0 -48.3 -84.7 -34.7 66.6 119.8 -79.2 11 11 A G E -A 18 0A 27 7,-1.8 7,-3.1 2,-0.0 2,-0.5 -0.975 45.3-100.2 177.0 175.4 68.2 116.9 -77.3 12 12 A E - 0 0 100 -2,-0.3 5,-0.2 5,-0.2 144,-0.1 -0.690 52.3-172.7-119.0 73.4 71.4 115.2 -76.2 13 13 A G - 0 0 22 -2,-0.5 143,-0.1 142,-0.1 142,-0.1 0.607 37.2 -76.9 -45.2-155.1 71.6 112.4 -78.7 14 14 A T S S+ 0 0 20 141,-0.1 143,-0.1 142,-0.1 145,-0.1 0.961 123.5 23.2 -81.6 -59.2 74.0 109.5 -78.9 15 15 A Y S S- 0 0 34 141,-0.1 21,-1.3 21,-0.1 2,-0.2 0.792 131.9 -37.1 -81.3 -27.5 77.3 111.0 -80.1 16 16 A G E S- B 0 35A 1 19,-0.2 2,-0.3 20,-0.1 19,-0.2 -0.755 79.9 -43.7-163.2-150.3 76.6 114.5 -79.1 17 17 A V E - B 0 34A 22 17,-1.4 17,-3.1 -5,-0.2 2,-0.5 -0.794 40.6-147.3-104.9 146.7 74.2 117.4 -78.6 18 18 A V E -AB 11 33A 31 -7,-3.1 -8,-2.5 -2,-0.3 -7,-1.8 -0.953 17.4-177.0-117.6 129.3 71.5 118.4 -81.1 19 19 A Y E -AB 9 32A 23 13,-2.6 13,-3.2 -2,-0.5 2,-0.5 -0.899 30.1-128.3-124.5 153.0 70.4 122.0 -81.5 20 20 A K E +AB 8 31A 44 -12,-3.3 -13,-3.0 -2,-0.3 -12,-1.6 -0.861 47.8 172.2 -92.1 131.1 67.8 123.8 -83.6 21 21 A A E -AB 6 30A 0 9,-2.7 9,-3.0 -2,-0.5 2,-0.5 -0.966 31.6-134.2-143.7 160.1 69.9 126.6 -85.2 22 22 A R E -AB 5 29A 83 -17,-1.2 -17,-1.6 -2,-0.3 2,-1.1 -0.962 27.7-119.2-119.2 128.3 69.6 129.3 -87.9 23 23 A N E > -A 4 0A 25 5,-3.2 4,-3.5 -2,-0.5 5,-0.3 -0.515 23.9-144.9 -65.8 100.8 72.2 129.9 -90.5 24 24 A K T 4 S+ 0 0 132 -21,-1.3 -1,-0.2 -2,-1.1 -20,-0.1 0.663 95.5 35.5 -40.9 -21.3 73.1 133.5 -89.6 25 25 A L T 4 S+ 0 0 144 -22,-0.4 -1,-0.2 3,-0.1 -2,-0.1 0.876 126.5 30.0-100.7 -59.4 73.6 134.1 -93.3 26 26 A T T 4 S- 0 0 95 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.706 91.7-136.6 -76.1 -20.1 71.1 132.1 -95.3 27 27 A G < + 0 0 41 -4,-3.5 2,-0.1 1,-0.3 -3,-0.1 0.526 51.9 150.2 75.4 3.4 68.5 132.3 -92.5 28 28 A E - 0 0 79 -5,-0.3 -5,-3.2 -6,-0.1 2,-0.5 -0.462 44.6-131.6 -70.5 141.8 67.8 128.6 -93.1 29 29 A V E +B 22 0A 56 -7,-0.2 50,-0.8 -2,-0.1 2,-0.3 -0.826 37.8 162.9 -97.9 132.2 66.7 126.7 -90.0 30 30 A V E -BC 21 78A 0 -9,-3.0 -9,-2.7 -2,-0.5 2,-0.5 -0.841 42.5-107.7-141.1 173.9 68.5 123.4 -89.4 31 31 A A E -BC 20 77A 15 46,-2.6 46,-3.1 -2,-0.3 2,-0.5 -0.950 34.9-160.8-106.8 127.4 69.3 120.7 -86.9 32 32 A L E -BC 19 76A 3 -13,-3.2 -13,-2.6 -2,-0.5 2,-0.5 -0.939 4.5-162.2-116.9 117.3 72.9 120.9 -85.8 33 33 A K E -BC 18 75A 4 42,-3.0 42,-2.2 -2,-0.5 2,-0.6 -0.859 6.4-156.1 -99.7 129.6 74.5 117.9 -84.1 34 34 A K E -BC 17 74A 34 -17,-3.1 -17,-1.4 -2,-0.5 2,-0.3 -0.929 14.3-144.6-105.0 120.9 77.8 118.6 -82.2 35 35 A I E BC 16 73A 11 38,-3.5 38,-0.8 -2,-0.6 -19,-0.2 -0.643 360.0 360.0 -95.1 145.8 80.1 115.6 -81.8 36 36 A R 0 0 161 -21,-1.3 -1,-0.1 -2,-0.3 -20,-0.1 0.968 360.0 360.0 -69.0 360.0 82.3 114.7 -78.9 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 97 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 104.8 89.0 113.9 -78.8 39 42 A E + 0 0 193 0, 0.0 32,-0.0 0, 0.0 0, 0.0 0.230 360.0 40.1-150.8 9.0 92.5 113.9 -80.3 40 43 A G - 0 0 64 31,-0.1 31,-0.0 2,-0.0 0, 0.0 0.678 67.9-163.0-126.0 -60.8 92.3 111.4 -83.3 41 44 A V - 0 0 57 30,-0.1 30,-0.0 2,-0.0 0, 0.0 0.830 29.9-108.8 67.7 111.0 89.1 111.5 -85.4 42 45 A P - 0 0 38 0, 0.0 4,-0.3 0, 0.0 107,-0.0 -0.007 16.2-156.4 -61.8 172.2 88.6 108.4 -87.5 43 46 A S S > S+ 0 0 56 2,-0.1 4,-1.1 3,-0.1 5,-0.2 0.615 96.1 55.7-117.0 -41.7 88.9 108.3 -91.3 44 47 A T T 4 S+ 0 0 95 2,-0.2 4,-0.3 1,-0.2 103,-0.1 0.800 114.9 46.3 -62.0 -26.1 86.7 105.3 -92.0 45 48 A A T >> S+ 0 0 2 2,-0.2 3,-2.2 103,-0.2 4,-2.1 0.968 106.5 51.3 -79.0 -61.7 84.2 107.4 -90.1 46 49 A I H 3> S+ 0 0 63 -4,-0.3 4,-0.6 1,-0.3 -2,-0.2 0.650 117.6 44.5 -52.7 -13.8 84.6 110.8 -91.7 47 50 A R H 3X S+ 0 0 160 -4,-1.1 4,-1.3 2,-0.2 -1,-0.3 0.552 103.7 60.0-105.4 -14.8 84.1 108.9 -95.0 48 51 A E H <> S+ 0 0 23 -3,-2.2 4,-1.1 -4,-0.3 -2,-0.2 0.737 105.8 54.0 -78.8 -24.5 81.2 106.8 -93.7 49 52 A I H X S+ 0 0 8 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.911 101.6 54.9 -72.8 -46.4 79.8 110.3 -93.3 50 53 A S H X S+ 0 0 57 -4,-0.6 4,-1.5 1,-0.3 -2,-0.2 0.890 105.5 53.6 -55.7 -41.4 80.4 111.2 -96.9 51 54 A L H X S+ 0 0 113 -4,-1.3 4,-0.5 1,-0.2 -1,-0.3 0.888 107.8 51.2 -61.8 -37.5 78.4 108.2 -98.0 52 55 A L H >< S+ 0 0 29 -4,-1.1 3,-0.5 1,-0.2 11,-0.3 0.849 103.0 59.3 -68.8 -32.6 75.6 109.4 -95.8 53 56 A K H 3< S+ 0 0 51 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.871 109.1 43.1 -63.2 -37.9 75.7 112.8 -97.4 54 57 A E H 3< S+ 0 0 138 -4,-1.5 2,-1.9 -5,-0.2 -1,-0.3 0.554 89.2 100.0 -83.0 -8.7 75.0 111.3 -100.8 55 58 A L << + 0 0 11 -4,-0.5 2,-0.5 -3,-0.5 8,-0.2 -0.563 54.5 166.3 -78.9 81.1 72.4 109.1 -99.2 56 59 A N + 0 0 79 -2,-1.9 5,-0.1 6,-0.1 6,-0.1 -0.887 5.4 141.0-108.3 123.3 69.4 111.2 -100.3 57 60 A H > - 0 0 40 -2,-0.5 3,-1.9 3,-0.5 54,-0.0 -0.985 58.1-112.2-153.0 149.2 65.8 109.8 -100.1 58 61 A P T 3 S+ 0 0 87 0, 0.0 80,-0.1 0, 0.0 4,-0.1 0.689 118.0 47.6 -61.1 -17.4 62.5 111.4 -99.1 59 62 A N T 3 S+ 0 0 8 80,-0.1 81,-2.6 48,-0.1 2,-0.4 0.074 100.1 77.8-111.2 21.7 62.3 109.2 -96.0 60 63 A I B < S-e 140 0B 7 -3,-1.9 -3,-0.5 79,-0.3 81,-0.2 -0.999 89.1-113.9-130.3 125.9 65.9 109.9 -94.8 61 64 A V - 0 0 9 79,-2.7 2,-0.3 -2,-0.4 -2,-0.1 -0.374 40.5-112.7 -59.5 127.7 66.7 113.2 -93.1 62 65 A K - 0 0 104 -2,-0.1 16,-2.0 -4,-0.1 2,-0.9 -0.469 16.9-143.4 -70.4 128.2 69.0 115.2 -95.5 63 66 A L E +D 77 0A 8 -11,-0.3 14,-0.2 -2,-0.3 3,-0.1 -0.836 22.9 179.7 -89.9 110.8 72.6 115.6 -94.2 64 67 A L E - 0 0 30 12,-2.6 2,-0.3 -2,-0.9 13,-0.2 0.896 56.5 -4.9 -80.4 -46.2 73.3 119.2 -95.5 65 68 A D E -D 76 0A 87 11,-1.4 11,-3.2 2,-0.0 2,-0.5 -0.997 48.4-150.7-153.5 153.7 76.9 119.7 -94.3 66 69 A V E -D 75 0A 48 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.996 18.0-172.3-126.8 123.6 79.7 118.2 -92.3 67 70 A I E -D 74 0A 62 7,-2.9 7,-2.8 -2,-0.5 2,-0.6 -0.955 7.2-171.1-126.1 115.6 82.1 120.6 -90.6 68 71 A H E +D 73 0A 99 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.916 32.2 131.3-105.3 112.0 85.2 119.4 -88.8 69 72 A T E > +D 72 0A 59 3,-2.1 3,-2.0 -2,-0.6 -2,-0.1 -0.982 57.7 10.9-159.0 149.7 86.9 122.2 -86.8 70 73 A E T 3 S- 0 0 161 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.883 124.4 -59.0 47.8 51.5 88.4 122.9 -83.4 71 74 A N T 3 S+ 0 0 98 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.670 118.5 106.7 55.1 17.4 88.2 119.2 -82.2 72 75 A K E < - D 0 69A 78 -3,-2.0 -3,-2.1 2,-0.0 2,-0.5 -0.920 58.7-150.3-124.2 150.5 84.5 119.3 -82.8 73 76 A L E -CD 35 68A 24 -38,-0.8 -38,-3.5 -2,-0.3 2,-0.4 -0.991 13.5-165.5-122.5 123.7 82.5 117.6 -85.6 74 77 A Y E -CD 34 67A 11 -7,-2.8 -7,-2.9 -2,-0.5 2,-0.5 -0.930 6.0-165.4-113.2 135.2 79.2 119.3 -86.7 75 78 A L E -CD 33 66A 16 -42,-2.2 -42,-3.0 -2,-0.4 2,-0.6 -0.985 9.6-155.5-119.3 123.2 76.6 117.6 -88.8 76 79 A V E -CD 32 65A 0 -11,-3.2 -12,-2.6 -2,-0.5 -11,-1.4 -0.902 17.9-179.5-104.2 119.1 74.0 120.0 -90.3 77 80 A F E -CD 31 63A 33 -46,-3.1 -46,-2.6 -2,-0.6 -14,-0.2 -0.824 37.5 -95.8-118.2 157.5 70.7 118.4 -91.1 78 81 A E E -C 30 0A 48 -16,-2.0 2,-0.3 -2,-0.3 -48,-0.2 -0.456 52.9-116.1 -64.3 142.2 67.4 119.6 -92.6 79 82 A F - 0 0 39 -50,-0.8 2,-0.3 -2,-0.1 -1,-0.1 -0.684 29.8-171.3 -90.8 135.8 65.2 120.4 -89.7 80 83 A L - 0 0 16 -2,-0.3 53,-0.1 53,-0.1 3,-0.1 -0.907 23.3-130.7-118.7 151.8 61.9 118.6 -89.0 81 84 A H S S+ 0 0 98 51,-0.4 2,-0.3 -2,-0.3 52,-0.1 0.657 76.3 17.4 -84.2 -15.9 59.5 119.8 -86.3 82 85 A Q E -F 132 0B 14 50,-1.2 50,-2.8 211,-0.0 2,-0.2 -0.998 61.8-134.8-153.4 150.1 58.6 116.8 -84.2 83 86 A D E > -F 131 0B 44 -2,-0.3 4,-2.0 48,-0.2 48,-0.2 -0.633 31.6-112.8 -99.9 166.4 59.9 113.3 -83.4 84 87 A L H > S+ 0 0 0 46,-2.7 4,-2.9 43,-1.2 5,-0.2 0.800 113.1 61.7 -69.0 -27.8 57.8 110.2 -83.2 85 88 A K H > S+ 0 0 87 42,-0.8 4,-2.3 45,-0.2 -1,-0.2 0.956 108.9 42.8 -61.5 -47.9 58.3 109.8 -79.5 86 89 A K H > S+ 0 0 119 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.916 113.7 51.6 -64.3 -42.3 56.7 113.2 -78.9 87 90 A F H X S+ 0 0 9 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.903 110.3 49.1 -62.7 -41.2 53.9 112.4 -81.4 88 91 A M H < S+ 0 0 20 -4,-2.9 3,-0.3 2,-0.2 4,-0.3 0.923 111.7 48.3 -63.9 -42.6 53.1 109.1 -79.7 89 92 A D H >< S+ 0 0 100 -4,-2.3 3,-1.5 1,-0.2 4,-0.3 0.944 111.8 50.1 -62.3 -45.0 53.0 110.7 -76.3 90 93 A A H 3< S+ 0 0 39 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.738 115.2 44.3 -63.4 -23.8 50.7 113.4 -77.6 91 94 A S T 3X S+ 0 0 15 -4,-1.2 4,-3.7 -3,-0.3 3,-0.3 0.282 81.5 107.2-104.1 9.2 48.5 110.7 -79.2 92 95 A A T <4 S+ 0 0 45 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.1 0.779 74.0 55.2 -59.3 -32.2 48.5 108.4 -76.1 93 96 A L T 4 S+ 0 0 168 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.914 129.5 12.2 -69.1 -43.0 44.9 109.2 -75.1 94 97 A T T 4 S- 0 0 112 -3,-0.3 -2,-0.2 1,-0.0 -1,-0.1 0.652 104.0-126.7-108.4 -22.7 43.3 108.2 -78.5 95 98 A G < - 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0 0 20 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.307 28.3-143.1 -57.3 137.1 56.7 99.8 -75.5 199 202 A L S S+ 0 0 28 -11,-0.4 -1,-0.1 1,-0.3 -34,-0.1 0.936 90.5 13.5 -68.8 -47.9 56.9 96.2 -76.6 200 203 A F S S- 0 0 3 -36,-0.3 2,-1.8 2,-0.1 -1,-0.3 -0.711 70.3-179.6-131.8 82.1 60.1 95.2 -74.8 201 204 A P + 0 0 42 0, 0.0 2,-0.1 0, 0.0 -37,-0.1 -0.381 15.3 172.6 -85.2 69.2 61.0 97.9 -72.2 202 205 A G - 0 0 3 -2,-1.8 -39,-0.5 1,-0.1 -38,-0.2 -0.371 27.1-159.8 -74.3 149.6 64.2 96.4 -70.7 203 206 A D S S+ 0 0 134 1,-0.1 2,-0.3 -40,-0.1 -1,-0.1 0.358 78.5 20.7-109.9 7.1 66.2 98.4 -68.3 204 207 A S S > S- 0 0 45 1,-0.1 4,-2.6 -41,-0.0 5,-0.2 -0.951 90.4 -97.6-159.5 165.6 69.5 96.4 -68.8 205 208 A E H > S+ 0 0 100 -2,-0.3 4,-2.8 1,-0.2 5,-0.1 0.925 123.3 43.4 -59.3 -43.5 70.8 94.2 -71.5 206 209 A I H > S+ 0 0 84 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.878 114.1 49.2 -71.5 -36.1 69.8 91.0 -69.7 207 210 A D H > S+ 0 0 28 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.868 112.6 50.1 -67.5 -37.3 66.3 92.3 -68.7 208 211 A Q H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.966 113.1 46.1 -63.3 -51.8 65.9 93.4 -72.4 209 212 A L H X S+ 0 0 4 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.925 114.1 47.3 -57.8 -46.4 66.9 90.0 -73.6 210 213 A F H X S+ 0 0 37 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.800 107.7 55.2 -70.5 -27.4 64.7 88.2 -71.1 211 214 A R H X S+ 0 0 89 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.882 109.9 47.9 -69.8 -36.8 61.6 90.4 -71.9 212 215 A I H >X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 3,-0.6 0.960 113.6 47.7 -64.7 -48.8 62.0 89.4 -75.5 213 216 A F H 3X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.895 107.3 56.1 -58.8 -43.3 62.3 85.7 -74.5 214 217 A R H 3< S+ 0 0 93 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.813 118.1 33.6 -60.8 -31.5 59.3 85.9 -72.2 215 218 A T H << S+ 0 0 34 -4,-1.2 28,-2.6 -3,-0.6 -2,-0.2 0.900 130.6 28.6 -91.1 -46.6 57.1 87.2 -75.1 216 219 A L H < S- 0 0 6 -4,-3.0 26,-0.3 26,-0.2 -3,-0.2 0.513 116.0-103.0 -93.8 -6.4 58.5 85.4 -78.2 217 220 A G < - 0 0 6 -4,-2.1 24,-0.2 -5,-0.4 -1,-0.2 0.168 44.2 -69.2 95.3 143.5 59.8 82.3 -76.3 218 221 A T - 0 0 18 22,-2.6 24,-0.1 -4,-0.1 -8,-0.0 -0.526 63.3-119.6 -65.5 124.7 63.4 81.5 -75.4 219 222 A P + 0 0 2 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.300 36.7 179.0 -68.1 151.8 65.1 80.8 -78.8 220 223 A D > - 0 0 73 -3,-0.0 4,-2.5 7,-0.0 7,-0.2 -0.801 48.3 -82.3-139.3-178.7 66.6 77.5 -79.5 221 224 A E T 4 S+ 0 0 82 -2,-0.2 6,-0.0 1,-0.2 5,-0.0 0.746 121.3 62.8 -62.5 -22.0 68.4 75.8 -82.4 222 225 A V T 4 S+ 0 0 119 2,-0.2 -1,-0.2 1,-0.2 0, 0.0 0.965 117.3 23.3 -68.8 -53.6 65.0 74.9 -84.0 223 226 A V T 4 S+ 0 0 70 1,-0.2 44,-0.5 -3,-0.2 -2,-0.2 0.739 137.8 31.7 -86.7 -20.5 63.9 78.5 -84.6 224 227 A W S >< S- 0 0 13 -4,-2.5 3,-2.6 42,-0.1 4,-0.3 -0.649 80.1-151.0-137.4 80.1 67.3 80.1 -84.6 225 228 A P T 3 S+ 0 0 73 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.248 85.3 16.4 -52.4 128.7 70.0 77.8 -85.9 226 229 A G T > S+ 0 0 29 41,-0.0 3,-1.5 4,-0.0 4,-0.2 0.334 86.6 120.8 90.5 -7.0 73.3 78.6 -84.3 227 230 A V G X + 0 0 0 -3,-2.6 3,-1.4 1,-0.3 6,-0.1 0.850 69.3 57.8 -59.6 -36.0 71.8 80.7 -81.4 228 231 A T G 3 S+ 0 0 62 -4,-0.3 -1,-0.3 1,-0.3 -7,-0.0 0.568 103.9 53.2 -73.7 -6.5 73.3 78.5 -78.7 229 232 A S G < S+ 0 0 99 -3,-1.5 -1,-0.3 5,-0.1 -2,-0.2 0.299 82.2 121.0-108.2 8.5 76.8 79.1 -80.0 230 233 A M S X S- 0 0 28 -3,-1.4 3,-2.0 -4,-0.2 -57,-0.1 -0.426 77.2-104.5 -73.3 149.0 76.6 82.9 -79.9 231 234 A P T 3 S+ 0 0 66 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.801 114.8 28.4 -38.2 -53.2 79.0 84.9 -77.8 232 235 A D T 3 S+ 0 0 75 -60,-3.1 2,-0.3 2,-0.1 -59,-0.2 0.262 88.5 122.1-101.9 15.6 76.7 85.8 -74.9 233 236 A Y < - 0 0 29 -3,-2.0 3,-0.0 -61,-0.4 -5,-0.0 -0.594 42.7-165.0 -77.7 137.3 74.4 82.8 -75.0 234 237 A K > - 0 0 101 -2,-0.3 3,-2.5 1,-0.1 -5,-0.1 -0.988 24.8-142.5-124.9 130.5 74.2 80.8 -71.8 235 238 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.780 102.8 69.6 -59.2 -22.2 72.7 77.4 -71.5 236 239 A S T 3 + 0 0 103 2,-0.0 3,-0.1 -3,-0.0 -3,-0.0 0.456 69.5 124.4 -76.5 -0.3 71.5 78.6 -68.2 237 240 A F S < S- 0 0 9 -3,-2.5 -19,-0.0 1,-0.1 -4,-0.0 -0.339 73.5-103.1 -58.4 138.6 69.0 81.0 -69.8 238 241 A P - 0 0 53 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.326 29.3-126.0 -64.3 149.2 65.5 80.4 -68.6 239 242 A K + 0 0 130 -3,-0.1 2,-0.3 -22,-0.1 -25,-0.0 -0.820 34.2 179.0-100.9 97.7 63.3 78.5 -71.0 240 243 A W - 0 0 81 -2,-0.9 -22,-2.6 -21,-0.0 2,-0.1 -0.781 25.8-123.5 -98.3 143.2 60.1 80.5 -71.6 241 244 A A - 0 0 75 -2,-0.3 -24,-0.4 -24,-0.2 2,-0.2 -0.467 35.8 -96.7 -80.9 155.4 57.3 79.4 -73.9 242 245 A R - 0 0 121 -26,-0.3 -26,-0.2 -2,-0.1 2,-0.1 -0.536 39.8-126.0 -73.9 137.0 56.2 81.7 -76.7 243 246 A Q - 0 0 73 -28,-2.6 2,-0.2 -2,-0.2 -1,-0.1 -0.474 34.4 -88.8 -81.3 155.5 53.2 83.8 -75.9 244 247 A D >> - 0 0 103 1,-0.2 3,-1.8 -2,-0.1 4,-0.5 -0.469 35.8-137.5 -62.0 127.1 50.1 83.7 -78.2 245 248 A F H >> S+ 0 0 31 1,-0.3 3,-1.2 -2,-0.2 4,-1.1 0.796 98.0 69.0 -60.5 -27.9 50.8 86.5 -80.7 246 249 A S H 34 S+ 0 0 52 1,-0.3 -1,-0.3 2,-0.2 6,-0.1 0.642 97.4 52.6 -65.5 -16.0 47.2 87.8 -80.4 247 250 A K H <4 S+ 0 0 133 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.619 100.5 65.7 -93.0 -14.7 47.9 88.9 -76.9 248 251 A V H << S+ 0 0 22 -3,-1.2 -2,-0.2 -4,-0.5 -3,-0.1 0.942 116.8 13.2 -73.9 -51.0 51.0 90.9 -78.0 249 252 A V S >< S- 0 0 0 -4,-1.1 3,-2.8 3,-0.1 -1,-0.2 -0.319 86.5-160.2-127.1 54.5 49.4 93.5 -80.2 250 253 A P T 3 S+ 0 0 69 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.543 71.8 17.2 -72.1 144.3 45.6 93.7 -79.7 251 254 A P T 3 S+ 0 0 122 0, 0.0 -4,-0.0 0, 0.0 -5,-0.0 -0.745 87.5 122.8-108.3 40.5 43.7 94.9 -81.6 252 255 A L < - 0 0 7 -3,-2.8 -3,-0.1 1,-0.1 5,-0.1 -0.320 65.7-111.0 -57.0 135.5 46.0 94.9 -84.6 253 256 A D > - 0 0 58 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.083 29.2 -98.6 -66.4 168.4 44.4 93.0 -87.5 254 257 A E H > S+ 0 0 119 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.812 121.9 54.9 -61.0 -33.3 45.8 89.7 -88.8 255 258 A D H > S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 27,-0.3 0.929 111.6 45.1 -65.0 -44.1 47.6 91.3 -91.7 256 259 A G H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.888 114.1 48.4 -66.1 -39.7 49.4 93.6 -89.3 257 260 A R H X S+ 0 0 51 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.879 110.2 52.4 -67.4 -37.6 50.2 90.8 -86.9 258 261 A S H X S+ 0 0 43 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.947 112.2 45.0 -62.6 -49.9 51.5 88.6 -89.7 259 262 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 3,-0.3 0.938 113.3 50.6 -60.3 -47.1 53.8 91.4 -90.9 260 263 A L H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 3,-0.3 0.926 106.6 54.0 -58.9 -44.2 55.0 92.1 -87.3 261 264 A S H < S+ 0 0 29 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.859 109.3 49.7 -58.6 -34.0 55.7 88.4 -86.7 262 265 A Q H >< S+ 0 0 66 -4,-1.6 10,-2.2 -3,-0.3 3,-0.7 0.790 109.1 50.7 -75.9 -27.7 57.9 88.4 -89.8 263 266 A M H 3< S+ 0 0 0 -4,-1.7 -76,-0.2 -3,-0.3 -1,-0.2 0.697 112.3 49.3 -79.7 -18.4 59.8 91.5 -88.6 264 267 A L T 3< S+ 0 0 1 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.122 74.3 138.2-108.3 20.2 60.4 89.9 -85.2 265 268 A H < - 0 0 66 -3,-0.7 6,-0.2 1,-0.1 5,-0.1 -0.416 53.0-136.7 -62.7 139.2 61.7 86.5 -86.3 266 269 A Y S S+ 0 0 14 -50,-0.1 -97,-0.2 4,-0.1 -1,-0.1 0.940 86.5 77.2 -62.8 -49.2 64.7 85.6 -84.1 267 270 A D S >> S- 0 0 16 -44,-0.5 3,-2.7 1,-0.2 4,-1.8 -0.536 74.9-148.0 -69.5 112.7 66.8 84.3 -87.0 268 271 A P T 34 S+ 0 0 25 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.805 99.4 55.1 -48.9 -33.1 68.3 87.4 -88.7 269 272 A N T 34 S+ 0 0 153 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.590 110.0 43.1 -80.2 -12.0 68.2 85.4 -91.9 270 273 A K T <4 S+ 0 0 98 -3,-2.7 -1,-0.2 2,-0.1 3,-0.1 0.617 89.0 107.5-103.2 -18.2 64.5 84.6 -91.7 271 274 A R S < S- 0 0 13 -4,-1.8 -8,-0.2 -6,-0.2 -9,-0.1 -0.353 82.6-102.8 -61.9 136.5 63.5 88.1 -90.6 272 275 A I - 0 0 21 -10,-2.2 2,-0.1 -13,-0.2 -1,-0.1 -0.229 32.3-124.4 -62.8 146.4 61.7 89.9 -93.4 273 276 A S > - 0 0 60 1,-0.1 4,-2.4 -3,-0.1 5,-0.1 -0.471 22.4-112.5 -84.7 166.2 63.7 92.4 -95.5 274 277 A A H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -161,-0.1 0.921 118.0 52.0 -63.4 -43.9 62.4 95.9 -95.9 275 278 A K H > S+ 0 0 170 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.932 112.2 43.7 -58.9 -48.1 61.8 95.3 -99.6 276 279 A A H >4 S+ 0 0 46 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.891 110.0 57.1 -66.8 -37.3 59.7 92.2 -99.0 277 280 A A H >< S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.3 -1,-0.2 0.881 98.3 61.4 -61.9 -34.7 57.9 93.9 -96.2 278 281 A L H 3< S+ 0 0 43 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.773 103.8 50.6 -62.4 -24.1 56.8 96.6 -98.6 279 282 A A T << S+ 0 0 82 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.425 83.1 123.3 -93.8 -0.4 55.0 94.0 -100.6 280 283 A H S X S- 0 0 19 -3,-1.7 3,-2.1 -4,-0.3 4,-0.1 -0.302 74.5-117.0 -64.0 144.9 53.1 92.5 -97.6 281 284 A P G > S+ 0 0 78 0, 0.0 3,-2.3 0, 0.0 4,-0.3 0.764 107.7 77.9 -51.8 -29.3 49.3 92.4 -97.8 282 285 A F G 3 S+ 0 0 1 -27,-0.3 3,-0.5 1,-0.3 -26,-0.1 0.810 93.4 49.9 -52.7 -31.6 49.1 94.8 -94.9 283 286 A F G X S+ 0 0 12 -3,-2.1 3,-1.7 -6,-0.2 -1,-0.3 0.315 75.9 104.8 -92.8 8.5 50.0 97.7 -97.2 284 287 A Q T < S+ 0 0 174 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.876 93.1 32.4 -56.5 -38.2 47.3 96.9 -99.9 285 288 A D T 3 S+ 0 0 94 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.066 86.8 146.4-107.8 26.8 45.3 99.8 -98.7 286 289 A V < + 0 0 40 -3,-1.7 2,-0.3 -184,-0.1 -186,-0.1 -0.328 17.8 169.8 -65.8 144.2 48.0 102.2 -97.5 287 290 A T - 0 0 81 -188,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.784 38.1-110.4-139.2 179.7 47.4 105.9 -98.0 288 291 A K - 0 0 131 -2,-0.3 -188,-0.1 -185,-0.0 -151,-0.1 -0.740 38.1-178.6-123.9 83.6 49.2 109.1 -96.8 289 292 A P - 0 0 39 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.305 28.7-116.2 -74.9 163.9 47.1 110.8 -94.2 290 293 A V - 0 0 108 -2,-0.0 -155,-0.1 -154,-0.0 2,-0.1 -0.867 28.2-130.9-101.2 133.5 48.2 114.1 -92.6 291 294 A P - 0 0 11 0, 0.0 2,-1.0 0, 0.0 -155,-0.1 -0.442 17.3-116.7 -80.2 159.3 48.9 114.0 -88.9 292 295 A H - 0 0 142 -2,-0.1 2,-0.5 2,-0.0 -158,-0.0 -0.850 42.8-171.1 -93.4 107.0 47.4 116.6 -86.6 293 296 A L - 0 0 24 -2,-1.0 2,-0.7 -159,-0.1 -206,-0.0 -0.891 20.1-158.3-107.2 131.1 50.6 118.2 -85.3 294 297 A R 0 0 144 -2,-0.5 -204,-0.0 1,-0.2 -2,-0.0 -0.920 360.0 360.0-103.9 108.8 50.8 120.7 -82.4 295 298 A L 0 0 136 -2,-0.7 -1,-0.2 -213,-0.0 0, 0.0 0.695 360.0 360.0-106.3 360.0 54.0 122.6 -82.8