==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 13-JUN-12 4FKR . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.N.KANG,J.A.STUCKEY . 282 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14398.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 63.8 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 . 40 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 17 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 27.3 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+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 2 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 . 0 1 1 0 0 2 2 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 60 0, 0.0 3,-1.7 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0 -8.5 -26.7 -20.8 -14.0 2 2 A E T 3 + 0 0 82 1,-0.3 22,-0.0 3,-0.1 0, 0.0 0.639 360.0 69.3 -68.3 -14.6 -26.5 -24.6 -13.8 3 3 A N T 3 S+ 0 0 92 20,-0.1 21,-2.7 21,-0.1 22,-0.5 0.383 92.3 73.9 -82.1 -2.0 -24.1 -24.1 -16.8 4 4 A F E < -A 23 0A 26 -3,-1.7 2,-0.6 19,-0.2 19,-0.2 -0.960 61.2-160.0-124.6 136.2 -21.5 -22.6 -14.4 5 5 A Q E -A 22 0A 98 17,-2.2 17,-2.5 -2,-0.4 2,-0.2 -0.967 24.9-134.5-108.1 113.3 -19.3 -24.1 -11.7 6 6 A K E -A 21 0A 122 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.496 23.4-179.5 -70.4 135.7 -18.1 -21.5 -9.2 7 7 A V E - 0 0 49 13,-3.5 2,-0.3 1,-0.4 14,-0.2 0.832 59.4 -37.6 -99.3 -54.5 -14.4 -21.7 -8.4 8 8 A E E -A 20 0A 112 12,-1.1 12,-3.4 0, 0.0 -1,-0.4 -0.968 60.5 -88.8-167.5 157.8 -13.9 -18.9 -5.9 9 9 A K E +A 19 0A 122 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.555 38.7 172.2 -72.7 131.8 -15.0 -15.3 -4.9 10 10 A I E + 0 0 75 8,-3.0 2,-0.3 1,-0.4 9,-0.2 0.399 60.2 9.6-123.4 -4.1 -12.7 -12.7 -6.7 11 11 A G E -A 18 0A 27 7,-1.4 7,-3.1 2,-0.0 -1,-0.4 -0.954 45.2-148.2-173.7 153.3 -14.5 -9.5 -5.8 12 12 A E E +A 17 0A 151 -2,-0.3 5,-0.2 5,-0.2 7,-0.0 -0.740 40.1 179.1-127.9 75.3 -17.2 -7.8 -3.8 13 13 A G - 0 0 34 3,-1.3 -2,-0.0 -2,-0.3 113,-0.0 0.170 42.6-101.5 -67.4-172.7 -18.3 -4.9 -6.1 14 14 A T S S+ 0 0 108 1,-0.1 3,-0.1 3,-0.0 -1,-0.1 0.853 122.0 42.9 -81.3 -38.7 -21.0 -2.2 -5.8 15 15 A Y S S- 0 0 24 1,-0.3 21,-2.5 20,-0.1 2,-0.3 0.572 129.3 -61.7 -85.4 -11.5 -23.5 -4.0 -8.0 16 16 A G E - B 0 35A 11 19,-0.2 -3,-1.3 2,-0.0 -1,-0.3 -0.899 68.8 -42.0 152.1 179.9 -22.8 -7.5 -6.5 17 17 A V E -AB 12 34A 42 17,-0.5 17,-1.8 -2,-0.3 2,-0.5 -0.499 46.1-145.8 -78.1 141.3 -20.4 -10.4 -5.7 18 18 A V E -AB 11 33A 20 -7,-3.1 -8,-3.0 15,-0.2 -7,-1.4 -0.948 16.3-171.7-113.5 129.1 -17.9 -11.5 -8.5 19 19 A Y E -AB 9 32A 58 13,-2.9 13,-3.5 -2,-0.5 2,-0.4 -0.920 28.1-125.0-119.6 145.0 -16.9 -15.2 -8.8 20 20 A K E +AB 8 31A 41 -12,-3.4 -13,-3.5 -2,-0.3 -12,-1.1 -0.715 48.3 174.7 -79.1 129.3 -14.3 -17.0 -10.9 21 21 A A E -AB 6 30A 0 9,-2.9 9,-2.9 -2,-0.4 2,-0.5 -0.958 31.6-132.1-140.6 157.9 -16.4 -19.6 -12.7 22 22 A R E -AB 5 29A 107 -17,-2.5 -17,-2.2 -2,-0.3 2,-0.8 -0.966 21.4-130.7-113.7 128.2 -16.1 -22.3 -15.3 23 23 A N E > -A 4 0A 23 5,-3.3 4,-2.8 -2,-0.5 -19,-0.2 -0.690 15.6-153.3 -74.8 107.3 -18.6 -22.6 -18.2 24 24 A K T 4 S+ 0 0 137 -21,-2.7 -1,-0.2 -2,-0.8 -20,-0.1 0.716 90.7 46.3 -56.1 -25.1 -19.6 -26.4 -18.1 25 25 A L T 4 S+ 0 0 144 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.951 126.6 21.2 -84.0 -58.4 -20.4 -26.3 -21.8 26 26 A T T 4 S- 0 0 91 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.645 95.0-125.6 -86.7 -21.2 -17.5 -24.4 -23.5 27 27 A G < + 0 0 53 -4,-2.8 -3,-0.1 1,-0.3 -2,-0.0 0.422 57.0 156.2 85.0 1.0 -14.9 -25.0 -20.7 28 28 A E - 0 0 87 -5,-0.2 -5,-3.3 -6,-0.1 2,-0.5 -0.283 41.9-137.2 -61.4 139.2 -14.4 -21.2 -20.6 29 29 A V E +B 22 0A 56 -7,-0.2 47,-0.6 -3,-0.1 2,-0.3 -0.913 38.7 167.2 -99.2 124.6 -13.1 -19.6 -17.4 30 30 A V E -BC 21 75A 0 -9,-2.9 -9,-2.9 -2,-0.5 2,-0.6 -0.824 42.1-111.5-134.0 170.4 -15.1 -16.4 -16.7 31 31 A A E -BC 20 74A 10 43,-2.6 43,-3.3 -2,-0.3 2,-0.5 -0.963 35.2-157.9-105.5 118.7 -15.9 -13.8 -14.1 32 32 A L E -BC 19 73A 9 -13,-3.5 -13,-2.9 -2,-0.6 2,-0.5 -0.905 7.3-168.1-106.2 121.1 -19.5 -14.2 -13.0 33 33 A K E -BC 18 72A 7 39,-2.8 39,-2.6 -2,-0.5 2,-0.7 -0.930 8.0-157.3-108.8 119.1 -21.3 -11.2 -11.4 34 34 A K E -BC 17 71A 109 -17,-1.8 -17,-0.5 -2,-0.5 2,-0.3 -0.875 22.0-135.6 -94.4 114.3 -24.6 -11.8 -9.6 35 35 A I E -BC 16 70A 9 35,-2.9 35,-0.6 -2,-0.7 2,-0.4 -0.580 15.2-126.3 -76.3 127.4 -26.5 -8.4 -9.6 36 36 A R 0 0 79 -21,-2.5 -1,-0.1 -2,-0.3 33,-0.0 -0.629 360.0 360.0 -76.7 121.6 -28.1 -7.6 -6.2 37 37 A L 0 0 144 -2,-0.4 -22,-0.0 33,-0.0 -2,-0.0 -0.983 360.0 360.0-125.1 360.0 -31.8 -6.8 -6.6 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 45 A P > 0 0 108 0, 0.0 4,-1.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 141.4 -36.2 -3.2 -14.2 40 46 A S H > + 0 0 76 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.853 360.0 58.8 -65.5 -40.0 -36.6 -3.3 -18.0 41 47 A T H > S+ 0 0 88 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.872 105.1 51.6 -58.1 -40.8 -34.6 -0.1 -18.6 42 48 A A H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.883 107.2 52.1 -63.5 -42.5 -31.6 -1.8 -16.9 43 49 A I H X S+ 0 0 45 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.930 111.7 46.6 -60.7 -46.8 -31.8 -4.9 -19.2 44 50 A R H X S+ 0 0 156 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.902 114.6 45.5 -63.5 -46.7 -31.8 -2.7 -22.3 45 51 A E H X S+ 0 0 43 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.903 114.9 47.7 -66.4 -41.0 -28.8 -0.5 -21.2 46 52 A I H X S+ 0 0 0 -4,-2.5 4,-0.9 1,-0.2 3,-0.2 0.890 107.8 57.0 -68.3 -35.3 -26.8 -3.6 -20.1 47 53 A S H < S+ 0 0 52 -4,-2.4 3,-0.5 1,-0.2 4,-0.3 0.854 103.5 54.1 -63.5 -32.2 -27.7 -5.3 -23.5 48 54 A L H >< S+ 0 0 129 -4,-1.4 3,-1.7 1,-0.2 4,-0.4 0.861 99.4 61.9 -69.5 -34.1 -26.1 -2.3 -25.3 49 55 A L H >< S+ 0 0 17 -4,-1.2 3,-1.2 1,-0.3 11,-0.3 0.775 88.8 69.9 -64.3 -27.0 -22.8 -2.8 -23.3 50 56 A K T 3< S+ 0 0 61 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.726 101.0 47.8 -60.3 -24.8 -22.4 -6.2 -24.8 51 57 A E T < S+ 0 0 143 -3,-1.7 2,-1.7 -4,-0.3 -1,-0.3 0.541 84.6 94.5 -93.0 -11.9 -21.7 -4.4 -28.2 52 58 A L < + 0 0 18 -3,-1.2 2,-0.4 -4,-0.4 8,-0.2 -0.618 60.5 167.4 -84.8 76.6 -19.1 -1.9 -26.6 53 59 A N + 0 0 68 -2,-1.7 5,-0.1 6,-0.1 -3,-0.0 -0.846 6.8 145.3-103.4 127.2 -16.1 -4.1 -27.5 54 60 A H > - 0 0 46 3,-0.4 3,-1.9 -2,-0.4 54,-0.0 -0.971 55.9-113.4-155.2 149.2 -12.4 -2.9 -27.3 55 61 A P T 3 S+ 0 0 95 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.711 118.3 48.7 -62.2 -18.5 -9.0 -4.5 -26.4 56 62 A N T 3 S+ 0 0 10 80,-0.1 81,-2.8 48,-0.1 2,-0.4 0.172 99.0 80.0-106.9 21.2 -8.8 -2.3 -23.2 57 63 A I B < S-e 137 0B 11 -3,-1.9 -3,-0.4 79,-0.3 2,-0.3 -0.992 88.5-113.2-125.6 127.1 -12.3 -3.0 -22.0 58 64 A V - 0 0 8 79,-2.8 81,-0.2 -2,-0.4 82,-0.2 -0.431 43.1-112.7 -60.7 119.2 -13.2 -6.2 -20.1 59 65 A K - 0 0 92 -2,-0.3 16,-2.4 1,-0.1 2,-1.0 -0.331 15.4-144.2 -62.6 126.1 -15.5 -8.1 -22.4 60 66 A L E -D 74 0A 11 -11,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.827 24.0-179.3 -88.3 102.4 -19.1 -8.4 -21.3 61 67 A L E - 0 0 31 12,-1.8 2,-0.3 -2,-1.0 13,-0.2 0.880 54.5 -6.9 -73.4 -46.8 -19.7 -11.9 -22.7 62 68 A D E -D 73 0A 79 11,-1.6 11,-3.3 2,-0.0 2,-0.5 -0.995 47.5-142.7-157.3 153.8 -23.3 -12.5 -21.7 63 69 A V E -D 72 0A 27 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.983 20.6-165.8-117.7 119.0 -26.3 -11.2 -19.8 64 70 A I E -D 71 0A 37 7,-3.0 7,-2.5 -2,-0.5 2,-0.7 -0.947 9.5-179.6-117.4 110.0 -28.4 -13.8 -18.1 65 71 A H E +D 70 0A 110 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.897 27.2 145.9-109.4 91.3 -31.9 -12.7 -16.8 66 72 A T E > +D 69 0A 67 3,-1.5 3,-1.8 -2,-0.7 -2,-0.1 -0.985 60.1 4.9-133.2 141.7 -33.3 -15.9 -15.2 67 73 A E T 3 S- 0 0 104 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.822 126.2 -62.9 52.4 43.5 -35.7 -16.4 -12.2 68 74 A N T 3 S+ 0 0 89 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.603 117.4 112.8 59.2 18.8 -36.1 -12.6 -11.7 69 75 A K E < - D 0 66A 21 -3,-1.8 -3,-1.5 -33,-0.0 2,-0.4 -0.832 60.0-139.2-117.9 151.4 -32.3 -12.5 -11.1 70 76 A L E -CD 35 65A 6 -35,-0.6 -35,-2.9 -2,-0.3 2,-0.4 -0.963 16.5-178.0-120.7 130.2 -29.5 -10.9 -13.2 71 77 A Y E -CD 34 64A 45 -7,-2.5 -7,-3.0 -2,-0.4 2,-0.5 -0.988 12.2-155.2-124.8 130.5 -26.1 -12.4 -13.9 72 78 A L E -CD 33 63A 0 -39,-2.6 -39,-2.8 -2,-0.4 2,-0.6 -0.934 8.4-152.9-106.6 125.2 -23.3 -10.7 -15.9 73 79 A V E -CD 32 62A 4 -11,-3.3 -12,-1.8 -2,-0.5 -11,-1.6 -0.905 22.9-178.1 -99.9 115.2 -20.8 -13.0 -17.6 74 80 A F E -CD 31 60A 13 -43,-3.3 -43,-2.6 -2,-0.6 -14,-0.2 -0.790 33.9 -95.0-113.7 160.2 -17.4 -11.3 -18.1 75 81 A E E -C 30 0A 46 -16,-2.4 2,-0.4 -2,-0.3 -45,-0.1 -0.353 47.4-124.5 -59.4 143.4 -14.0 -12.1 -19.5 76 82 A F - 0 0 37 -47,-0.6 2,-0.3 -46,-0.1 -47,-0.1 -0.865 27.7-178.6-103.9 136.6 -11.6 -13.2 -16.8 77 83 A L - 0 0 15 -2,-0.4 53,-0.1 53,-0.1 3,-0.0 -0.914 27.6-131.1-125.5 149.4 -8.1 -11.6 -16.0 78 84 A H S S+ 0 0 103 51,-0.3 2,-0.3 -2,-0.3 52,-0.1 0.570 78.8 19.4 -85.2 -10.9 -5.8 -13.0 -13.3 79 85 A Q E -F 129 0B 14 50,-1.0 50,-2.7 205,-0.1 2,-0.2 -0.994 61.8-138.0-153.6 154.5 -4.9 -9.8 -11.3 80 86 A D E > -F 128 0B 38 -2,-0.3 4,-1.9 48,-0.2 48,-0.2 -0.691 32.7-109.5-108.8 170.0 -6.0 -6.3 -10.7 81 87 A L H > S+ 0 0 0 46,-2.6 4,-2.6 43,-1.1 5,-0.2 0.802 114.8 61.5 -69.2 -26.9 -3.9 -3.1 -10.5 82 88 A K H > S+ 0 0 87 42,-0.8 4,-2.0 45,-0.3 -1,-0.2 0.952 109.3 41.4 -63.7 -48.2 -4.5 -2.7 -6.7 83 89 A K H > S+ 0 0 113 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.870 115.1 51.4 -65.7 -38.7 -2.8 -6.1 -6.1 84 90 A F H X S+ 0 0 9 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.892 110.1 48.6 -66.5 -39.7 -0.0 -5.3 -8.6 85 91 A M H < S+ 0 0 21 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.882 112.8 48.6 -66.0 -38.3 0.7 -2.0 -7.0 86 92 A D H >< S+ 0 0 101 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.911 112.4 48.1 -65.0 -44.1 0.9 -3.7 -3.5 87 93 A A H 3< S+ 0 0 80 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.747 116.6 43.8 -66.7 -28.4 3.2 -6.4 -5.0 88 94 A S T 3X S+ 0 0 16 -4,-1.5 4,-3.2 1,-0.2 3,-0.5 0.228 82.2 109.0 -98.2 7.0 5.4 -3.7 -6.6 89 95 A A T <4 S+ 0 0 48 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.737 74.3 52.7 -60.5 -29.9 5.4 -1.4 -3.4 90 96 A L T 4 S+ 0 0 167 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.860 128.1 17.6 -76.7 -34.0 9.1 -2.0 -2.5 91 97 A T T 4 S- 0 0 119 -3,-0.5 -2,-0.2 1,-0.0 -1,-0.1 0.593 104.4-126.6-110.0 -20.9 10.5 -1.1 -5.9 92 98 A G < - 0 0 11 -4,-3.2 -3,-0.1 -7,-0.2 91,-0.1 0.210 36.2 -70.1 81.4 152.3 7.7 0.8 -7.6 93 99 A I - 0 0 11 89,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.625 63.8-102.2 -71.3 132.2 6.2 -0.0 -11.0 94 100 A P >> - 0 0 83 0, 0.0 4,-2.2 0, 0.0 3,-0.9 -0.307 26.9-120.6 -58.0 141.0 8.8 0.9 -13.7 95 101 A L H 3> S+ 0 0 69 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.885 112.4 56.9 -51.5 -42.8 8.0 4.3 -15.4 96 102 A P H 3> S+ 0 0 67 0, 0.0 4,-2.2 0, 0.0 180,-0.4 0.859 110.6 44.5 -58.5 -34.8 7.8 2.6 -18.9 97 103 A L H <> S+ 0 0 6 -3,-0.9 4,-2.8 2,-0.2 5,-0.2 0.895 111.9 51.3 -76.6 -39.1 5.1 0.2 -17.5 98 104 A I H X S+ 0 0 7 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.948 113.1 47.3 -57.3 -47.6 3.2 3.1 -15.7 99 105 A K H X S+ 0 0 12 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.919 112.3 48.8 -61.9 -45.6 3.2 4.9 -19.1 100 106 A S H X S+ 0 0 3 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.930 113.8 45.8 -58.8 -51.2 2.0 1.8 -21.1 101 107 A Y H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.930 114.0 48.6 -60.2 -46.8 -0.8 1.2 -18.6 102 108 A L H X S+ 0 0 0 -4,-3.0 4,-2.2 -5,-0.2 -2,-0.2 0.915 112.4 48.9 -59.2 -43.8 -1.9 4.9 -18.6 103 109 A F H X S+ 0 0 54 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.918 112.8 47.3 -61.7 -45.0 -1.8 5.0 -22.5 104 110 A Q H X S+ 0 0 13 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.887 111.3 50.8 -65.8 -39.6 -3.9 1.8 -22.8 105 111 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.896 109.6 50.5 -66.9 -37.6 -6.4 3.1 -20.2 106 112 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.862 108.4 53.3 -66.0 -34.6 -6.8 6.4 -22.1 107 113 A Q H X S+ 0 0 67 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.940 110.8 46.1 -63.4 -47.6 -7.4 4.4 -25.3 108 114 A G H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.885 115.1 47.5 -59.7 -41.1 -10.2 2.4 -23.5 109 115 A L H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.927 109.1 52.5 -66.7 -46.6 -11.6 5.7 -22.1 110 116 A A H X S+ 0 0 25 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.895 111.3 49.3 -58.1 -37.8 -11.4 7.5 -25.5 111 117 A F H X S+ 0 0 45 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.963 115.0 40.6 -66.0 -55.3 -13.4 4.5 -27.0 112 118 A C H ><>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 3,-1.1 0.913 115.6 51.9 -59.9 -44.7 -16.2 4.4 -24.4 113 119 A H H ><5S+ 0 0 27 -4,-3.1 3,-1.7 1,-0.3 -1,-0.2 0.860 102.7 59.1 -63.5 -33.9 -16.4 8.3 -24.3 114 120 A S H 3<5S+ 0 0 72 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.737 108.2 46.8 -64.0 -23.1 -16.7 8.3 -28.2 115 121 A H T <<5S- 0 0 81 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.210 121.4-110.5-100.9 12.7 -19.9 6.1 -27.6 116 122 A R T < 5S+ 0 0 197 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.772 74.3 139.7 61.2 32.5 -21.2 8.5 -24.8 117 123 A V < - 0 0 29 -5,-2.5 2,-0.3 -8,-0.1 -1,-0.2 -0.924 33.9-165.0-108.6 127.0 -20.5 5.7 -22.2 118 124 A L - 0 0 20 -2,-0.5 23,-1.6 1,-0.2 26,-0.3 -0.820 19.7-154.4-106.8 151.0 -19.0 6.8 -18.9 119 125 A H - 0 0 4 -2,-0.3 24,-0.5 21,-0.2 -1,-0.2 0.944 19.7-178.0 -83.0 -56.4 -17.4 4.6 -16.2 120 126 A R S S+ 0 0 56 48,-0.1 -1,-0.1 47,-0.1 20,-0.1 0.039 70.8 54.4 79.7 -19.3 -18.1 6.9 -13.2 121 127 A D + 0 0 42 18,-0.1 2,-0.1 34,-0.1 5,-0.1 -0.179 67.7 165.2-138.1 47.5 -16.4 4.7 -10.6 122 128 A L + 0 0 0 32,-0.2 32,-0.1 3,-0.1 17,-0.0 -0.426 12.2 148.3 -66.8 135.8 -12.8 4.0 -11.9 123 129 A K > - 0 0 30 -2,-0.1 3,-2.2 30,-0.0 4,-0.2 -0.961 61.9 -96.6-160.8 159.3 -10.5 2.6 -9.2 124 130 A P G > S+ 0 0 5 0, 0.0 3,-1.3 0, 0.0 -43,-1.1 0.795 118.2 64.6 -54.6 -29.4 -7.4 0.2 -9.1 125 131 A Q G 3 S+ 0 0 115 1,-0.3 -3,-0.1 -44,-0.2 -42,-0.0 0.622 103.9 44.7 -72.3 -12.8 -9.8 -2.8 -8.2 126 132 A N G < S+ 0 0 11 -3,-2.2 12,-2.5 -5,-0.1 2,-0.6 0.233 92.6 92.2-113.8 18.6 -11.6 -2.5 -11.6 127 133 A L E < - G 0 137B 0 -3,-1.3 -46,-2.6 -4,-0.2 2,-0.4 -0.956 65.0-164.4-107.5 113.3 -8.4 -2.2 -13.7 128 134 A L E -FG 80 136B 33 8,-2.7 8,-2.5 -2,-0.6 2,-0.3 -0.835 6.6-163.5-109.5 140.0 -7.4 -5.7 -14.7 129 135 A I E -FG 79 135B 0 -50,-2.7 -50,-1.0 -2,-0.4 -51,-0.3 -0.876 3.1-164.3-123.2 154.1 -4.1 -6.9 -16.0 130 136 A N > - 0 0 37 4,-1.5 3,-1.1 -2,-0.3 -53,-0.1 -0.673 40.6 -96.2-124.1-178.7 -2.7 -10.0 -17.9 131 137 A T T 3 S+ 0 0 78 1,-0.2 151,-0.1 -2,-0.2 -2,-0.0 0.581 114.1 67.7 -74.9 -12.8 0.7 -11.6 -18.6 132 138 A E T 3 S- 0 0 142 147,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.392 118.9-101.1 -87.6 -0.7 0.9 -9.9 -22.1 133 139 A G S < S+ 0 0 0 -3,-1.1 2,-0.2 1,-0.3 -2,-0.1 0.514 77.5 138.8 92.0 5.9 1.2 -6.4 -20.6 134 140 A A - 0 0 11 143,-0.1 -4,-1.5 -30,-0.0 2,-0.4 -0.493 34.8-163.7 -83.0 154.5 -2.4 -5.5 -21.3 135 141 A I E - G 0 129B 0 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.990 10.5-166.3-136.0 136.4 -4.6 -3.5 -18.8 136 142 A K E - G 0 128B 27 -8,-2.5 -8,-2.7 -2,-0.4 2,-0.4 -0.987 19.8-125.4-132.9 147.1 -8.4 -3.4 -19.1 137 143 A L E -eG 57 127B 1 -81,-2.8 -79,-2.8 -2,-0.4 2,-0.4 -0.700 25.8-156.6 -88.5 129.1 -11.3 -1.4 -17.7 138 144 A A + 0 0 10 -12,-2.5 -79,-0.1 -2,-0.4 -81,-0.0 -0.906 65.2 18.3-111.7 136.1 -14.1 -3.4 -16.0 139 145 A D > + 0 0 37 -2,-0.4 3,-0.8 -81,-0.2 4,-0.5 0.709 67.1 172.9 81.9 36.0 -17.7 -2.2 -15.5 140 146 A F T 3 S+ 0 0 11 -3,-0.3 -1,-0.2 1,-0.2 -21,-0.2 -0.531 72.5 7.5 -71.3 130.8 -18.1 0.6 -18.0 141 147 A G T 3> S+ 0 0 6 -23,-1.6 4,-2.0 -2,-0.2 -1,-0.2 0.140 95.1 107.9 87.2 -17.3 -21.7 1.8 -18.2 142 148 A L H <> S+ 0 0 11 -3,-0.8 4,-2.2 2,-0.2 5,-0.3 0.834 73.8 59.0 -61.5 -37.6 -23.1 -0.3 -15.2 143 149 A A H > S+ 0 0 42 -24,-0.5 4,-2.2 -4,-0.5 -1,-0.2 0.951 113.1 38.0 -58.6 -47.5 -23.5 2.8 -12.9 144 150 A R H 4 S+ 0 0 160 -26,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.848 115.7 54.9 -67.4 -40.3 -25.9 4.5 -15.4 145 151 A A H < S+ 0 0 4 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.801 122.0 26.4 -65.7 -35.1 -27.6 1.1 -16.3 146 152 A F H < 0 0 66 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.654 360.0 360.0-103.6 -21.3 -28.4 0.3 -12.6 147 153 A G < 0 0 100 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.1 -0.404 360.0 360.0 74.7 360.0 -28.6 3.8 -11.2 148 ! 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 0.0 149 163 A V 0 0 198 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.0 -17.6 0.8 2.3 150 164 A V - 0 0 73 1,-0.1 2,-0.3 2,-0.0 -136,-0.0 -0.378 360.0-123.2 -64.2 132.1 -17.5 2.6 -1.1 151 165 A T - 0 0 39 1,-0.1 3,-0.2 -2,-0.1 -1,-0.1 -0.624 24.5-176.0 -80.7 132.7 -14.1 4.3 -1.8 152 166 A L > + 0 0 19 39,-0.5 3,-1.8 -2,-0.3 -1,-0.1 0.433 56.4 103.3-102.0 -3.4 -14.2 8.1 -2.5 153 167 A W T 3 S+ 0 0 86 1,-0.3 36,-0.3 38,-0.2 -1,-0.1 0.731 86.1 38.7 -57.7 -26.4 -10.5 8.5 -3.3 154 168 A Y T 3 S+ 0 0 16 -3,-0.2 -1,-0.3 -32,-0.1 2,-0.3 0.297 84.0 128.0-109.7 8.8 -11.0 8.7 -7.1 155 169 A R < - 0 0 60 -3,-1.8 -34,-0.1 1,-0.1 16,-0.1 -0.493 60.7-121.6 -74.6 129.9 -14.2 10.8 -7.1 156 170 A A >> - 0 0 0 -2,-0.3 4,-1.6 1,-0.1 3,-0.8 -0.321 22.9-118.5 -65.2 146.8 -14.1 14.0 -9.3 157 171 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 6,-0.1 0.847 111.7 61.2 -63.4 -30.2 -14.8 17.3 -7.4 158 172 A E H 34>S+ 0 0 2 2,-0.2 5,-2.8 1,-0.2 -3,-0.0 0.853 105.1 48.9 -64.9 -29.5 -18.0 18.1 -9.4 159 173 A I H X45S+ 0 0 31 -3,-0.8 3,-1.6 3,-0.2 -1,-0.2 0.944 111.9 48.4 -71.5 -44.4 -19.5 14.8 -8.2 160 174 A L H 3<5S+ 0 0 7 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.777 108.2 55.3 -65.0 -27.8 -18.6 15.7 -4.5 161 175 A L T 3<5S- 0 0 0 -4,-1.9 60,-2.9 59,-0.0 61,-0.4 0.328 125.4-101.5 -89.6 8.8 -20.1 19.2 -5.0 162 176 A G T < 5 + 0 0 23 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.658 59.3 164.6 83.6 22.7 -23.4 17.7 -6.1 163 177 A C < - 0 0 39 -5,-2.8 3,-0.3 1,-0.2 -1,-0.2 -0.562 16.0-171.1 -70.7 123.1 -23.4 18.0 -9.9 164 178 A K S S+ 0 0 70 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.714 78.3 49.3 -88.2 -26.4 -26.1 15.7 -11.1 165 179 A Y S S+ 0 0 214 -6,-0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.494 78.2 164.9-116.5 62.0 -25.3 15.9 -14.9 166 180 A Y - 0 0 64 -2,-0.3 2,-0.2 -3,-0.3 -2,-0.0 -0.199 22.3-137.1 -76.6 165.6 -21.5 15.2 -14.9 167 181 A S > - 0 0 49 -47,-0.0 3,-1.9 -2,-0.0 4,-0.3 -0.473 36.5 -77.0-114.7-172.9 -19.5 14.3 -18.0 168 182 A T T >> S+ 0 0 50 1,-0.3 3,-1.4 2,-0.2 4,-1.0 0.708 114.5 81.8 -60.9 -21.2 -16.8 12.0 -19.3 169 183 A A H 3> S+ 0 0 8 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.751 76.7 69.8 -58.8 -22.4 -14.3 14.4 -17.5 170 184 A V H <> S+ 0 0 0 -3,-1.9 4,-1.9 1,-0.2 -1,-0.3 0.868 98.2 49.6 -64.8 -34.2 -15.1 12.4 -14.2 171 185 A D H <> S+ 0 0 0 -3,-1.4 4,-2.5 -4,-0.3 -1,-0.2 0.859 107.1 53.7 -72.4 -37.2 -13.2 9.4 -15.6 172 186 A I H X S+ 0 0 1 -4,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.887 108.8 50.3 -61.8 -42.9 -10.2 11.5 -16.6 173 187 A W H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.951 111.0 47.8 -59.7 -50.8 -10.1 12.8 -13.0 174 188 A S H X S+ 0 0 4 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.925 112.7 48.6 -57.3 -46.7 -10.2 9.2 -11.5 175 189 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.877 108.0 55.0 -65.3 -34.7 -7.5 8.0 -14.0 176 190 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 76,-0.2 -1,-0.2 0.919 107.8 49.4 -60.4 -43.3 -5.3 11.1 -13.0 177 191 A C H X S+ 0 0 1 -4,-2.1 4,-1.7 2,-0.2 11,-0.4 0.893 112.6 47.7 -62.3 -39.3 -5.6 10.0 -9.3 178 192 A I H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.905 109.1 53.5 -68.5 -44.0 -4.6 6.4 -10.3 179 193 A F H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.948 109.9 47.9 -52.5 -51.6 -1.6 7.7 -12.4 180 194 A A H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 6,-0.3 0.868 111.2 51.6 -59.0 -41.1 -0.3 9.7 -9.4 181 195 A E H X S+ 0 0 25 -4,-1.7 4,-1.9 2,-0.2 5,-0.4 0.879 107.5 51.2 -66.9 -39.4 -0.8 6.6 -7.1 182 196 A M H < S+ 0 0 4 -4,-2.5 -89,-0.6 2,-0.2 -1,-0.2 0.924 115.6 44.0 -62.7 -39.9 1.2 4.3 -9.5 183 197 A V H < S+ 0 0 18 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.937 124.4 30.0 -70.3 -53.0 4.1 6.9 -9.5 184 198 A T H < S- 0 0 45 -4,-2.7 -1,-0.2 2,-0.3 -3,-0.2 0.594 96.4-129.1 -87.2 -14.7 4.3 7.8 -5.8 185 199 A R S < S+ 0 0 136 -4,-1.9 2,-0.3 -5,-0.2 -3,-0.1 0.724 80.8 90.8 68.6 27.5 3.1 4.4 -4.4 186 200 A R S S- 0 0 198 -5,-0.4 -2,-0.3 -6,-0.3 -1,-0.2 -0.985 88.7 -99.0-149.1 140.6 0.6 6.2 -2.2 187 201 A A - 0 0 17 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.344 29.1-141.5 -57.7 136.3 -3.1 7.2 -2.9 188 202 A L S S+ 0 0 30 -11,-0.4 -1,-0.1 1,-0.2 -34,-0.1 0.954 90.4 12.8 -68.2 -51.3 -3.2 10.9 -3.9 189 203 A F - 0 0 3 -36,-0.3 2,-1.9 2,-0.1 -1,-0.2 -0.721 69.3-179.8-128.7 80.0 -6.5 11.8 -2.0 190 204 A P + 0 0 39 0, 0.0 -37,-0.1 0, 0.0 7,-0.1 -0.356 17.4 174.4 -84.8 67.8 -7.4 9.1 0.5 191 205 A G - 0 0 2 -2,-1.9 -39,-0.5 1,-0.1 -38,-0.2 -0.317 25.5-164.2 -69.3 149.6 -10.6 10.7 1.9 192 206 A D S S+ 0 0 140 1,-0.1 2,-0.3 -40,-0.1 -1,-0.1 0.272 76.4 25.6-121.5 13.4 -12.7 8.7 4.4 193 207 A S S > S- 0 0 48 1,-0.1 4,-2.5 -41,-0.0 5,-0.2 -0.917 89.5-102.2-159.6 163.7 -15.8 10.9 4.1 194 208 A E H > S+ 0 0 101 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.896 123.4 43.5 -64.4 -38.1 -17.2 13.2 1.4 195 209 A I H > S+ 0 0 84 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.880 113.4 51.0 -74.8 -37.1 -16.0 16.4 3.1 196 210 A D H > S+ 0 0 33 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.901 111.8 49.6 -64.0 -38.6 -12.6 14.8 4.0 197 211 A Q H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.954 113.8 44.8 -61.7 -50.9 -12.3 13.8 0.3 198 212 A L H X S+ 0 0 4 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.931 114.3 47.6 -59.8 -49.3 -13.2 17.4 -0.8 199 213 A F H X S+ 0 0 41 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.857 108.2 55.3 -68.3 -28.6 -10.9 19.1 1.7 200 214 A R H X S+ 0 0 90 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.900 110.4 46.5 -65.5 -41.1 -7.9 16.8 0.8 201 215 A I H X S+ 0 0 0 -4,-1.8 4,-3.1 1,-0.2 3,-0.5 0.939 113.9 48.8 -63.0 -47.8 -8.4 17.9 -2.9 202 216 A F H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.868 106.5 55.7 -60.5 -40.1 -8.6 21.5 -1.8 203 217 A R H < S+ 0 0 91 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.797 119.1 33.1 -65.6 -27.8 -5.5 21.3 0.4 204 218 A T H < S+ 0 0 20 -4,-1.1 28,-2.7 -3,-0.5 -2,-0.2 0.895 131.3 28.0 -92.6 -52.3 -3.4 20.1 -2.6 205 219 A L H < S- 0 0 5 -4,-3.1 26,-0.3 26,-0.2 -3,-0.2 0.436 114.2-106.4 -94.6 -0.9 -4.9 21.8 -5.6 206 220 A G < - 0 0 6 -4,-1.8 24,-0.2 24,-0.4 -1,-0.2 0.243 44.9 -65.1 87.3 147.5 -6.2 24.9 -3.7 207 221 A T - 0 0 19 22,-2.3 24,-0.1 -4,-0.1 2,-0.0 -0.519 63.5-119.3 -64.6 125.1 -9.8 25.8 -2.8 208 222 A P + 0 0 2 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.366 38.1 177.4 -69.6 147.2 -11.5 26.4 -6.2 209 223 A D > - 0 0 76 -2,-0.0 4,-2.3 -3,-0.0 7,-0.2 -0.793 48.3 -82.9-135.8-176.9 -13.0 29.8 -6.9 210 224 A E T 4 S+ 0 0 78 -2,-0.2 6,-0.1 1,-0.2 0, 0.0 0.734 122.6 60.0 -63.9 -24.5 -14.8 31.5 -9.8 211 225 A V T 4 S+ 0 0 124 2,-0.2 -1,-0.2 1,-0.2 0, 0.0 0.957 117.2 27.1 -68.7 -53.5 -11.4 32.4 -11.4 212 226 A V T 4 S+ 0 0 72 1,-0.2 44,-0.5 -3,-0.2 -2,-0.2 0.714 137.8 27.2 -82.2 -24.9 -10.2 28.7 -11.9 213 227 A W S >< S- 0 0 11 -4,-2.3 3,-2.5 42,-0.1 4,-0.3 -0.657 78.3-150.7-142.4 81.8 -13.7 27.2 -12.1 214 228 A P T 3 S+ 0 0 72 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.313 87.1 19.4 -54.4 130.3 -16.5 29.5 -13.4 215 229 A G T > S+ 0 0 37 41,-0.0 3,-1.8 4,-0.0 4,-0.2 0.215 87.1 119.1 92.0 -8.8 -19.9 28.5 -11.8 216 230 A V G X S+ 0 0 0 -3,-2.5 3,-1.6 1,-0.3 6,-0.1 0.856 70.1 57.0 -55.4 -41.6 -18.2 26.6 -8.9 217 231 A T G 3 S+ 0 0 59 -4,-0.3 -1,-0.3 1,-0.3 -7,-0.0 0.500 104.4 53.7 -73.2 -3.9 -19.8 28.8 -6.2 218 232 A S G < S+ 0 0 107 -3,-1.8 -1,-0.3 5,-0.1 -2,-0.2 0.244 80.5 122.2-110.2 7.9 -23.4 28.0 -7.5 219 233 A M S X S- 0 0 27 -3,-1.6 3,-1.5 -4,-0.2 -57,-0.1 -0.399 76.2-110.1 -72.9 148.4 -22.9 24.2 -7.3 220 234 A P T 3 S+ 0 0 90 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.830 114.0 30.3 -51.2 -42.0 -25.5 22.4 -5.1 221 235 A D T 3 S+ 0 0 75 -60,-2.9 2,-0.2 2,-0.1 -59,-0.2 0.245 88.9 122.8-105.7 13.0 -23.1 21.4 -2.3 222 236 A Y < - 0 0 29 -3,-1.5 3,-0.0 -61,-0.4 -5,-0.0 -0.562 43.4-164.3 -71.8 137.0 -20.8 24.4 -2.5 223 237 A K > - 0 0 106 -2,-0.2 3,-2.4 1,-0.1 -5,-0.1 -0.990 24.0-146.6-123.8 128.1 -20.5 26.4 0.7 224 238 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.759 101.1 68.6 -59.8 -20.7 -19.0 29.9 0.9 225 239 A S T 3 S+ 0 0 104 -3,-0.0 3,-0.1 2,-0.0 -3,-0.0 0.454 70.0 124.8 -77.9 -2.2 -17.8 28.8 4.4 226 240 A F S < S- 0 0 10 -3,-2.4 -19,-0.0 1,-0.1 -4,-0.0 -0.392 73.6-106.2 -54.7 131.9 -15.3 26.3 2.8 227 241 A P - 0 0 54 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.276 29.9-124.5 -60.2 146.4 -11.8 27.1 4.1 228 242 A K - 0 0 170 -3,-0.1 2,-0.3 -22,-0.1 -25,-0.0 -0.850 34.3-179.9-100.5 102.8 -9.6 28.8 1.5 229 243 A W - 0 0 80 -2,-0.8 -22,-2.3 -27,-0.1 2,-0.2 -0.806 25.5-120.9-101.2 145.6 -6.3 26.8 1.0 230 244 A A - 0 0 86 -2,-0.3 -24,-0.4 -24,-0.2 2,-0.2 -0.499 35.0-101.2 -81.0 151.8 -3.5 27.8 -1.4 231 245 A R - 0 0 122 -26,-0.3 -26,-0.2 -2,-0.2 2,-0.2 -0.506 31.5-135.8 -73.2 145.6 -2.5 25.5 -4.2 232 246 A Q - 0 0 61 -28,-2.7 2,-0.2 -2,-0.2 -1,-0.0 -0.640 26.9 -99.6 -94.8 155.0 0.7 23.2 -3.8 233 247 A D >> - 0 0 118 -2,-0.2 3,-1.4 1,-0.1 4,-1.2 -0.531 21.4-133.1 -75.1 140.8 3.4 22.7 -6.6 234 248 A F H 3> S+ 0 0 24 1,-0.3 4,-2.6 2,-0.2 -1,-0.1 0.745 106.3 69.1 -64.7 -24.0 3.1 19.4 -8.6 235 249 A S H 34 S+ 0 0 63 1,-0.2 -1,-0.3 2,-0.2 6,-0.0 0.803 106.6 40.2 -61.5 -29.0 6.9 19.0 -8.1 236 250 A K H <4 S+ 0 0 132 -3,-1.4 -2,-0.2 2,-0.1 -1,-0.2 0.742 114.8 54.0 -87.3 -31.2 5.9 18.4 -4.4 237 251 A V H < S+ 0 0 21 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.909 123.4 16.3 -74.4 -49.1 2.8 16.3 -5.2 238 252 A V S >< S- 0 0 0 -4,-2.6 3,-1.9 3,-0.1 -1,-0.2 -0.187 87.1-163.2-126.0 50.3 4.2 13.6 -7.5 239 253 A P T 3 S+ 0 0 71 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.388 70.2 23.8 -65.6 143.3 8.1 13.4 -7.1 240 254 A P T 3 S+ 0 0 120 0, 0.0 -5,-0.1 0, 0.0 -4,-0.0 -0.884 87.9 121.7-104.6 23.0 10.1 12.1 -9.0 241 255 A L < - 0 0 6 -3,-1.9 -3,-0.1 1,-0.1 5,-0.0 -0.128 63.5-118.6 -47.9 129.8 7.7 12.3 -12.1 242 256 A D > - 0 0 59 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.078 30.2 -93.8 -67.2 171.1 9.3 14.3 -15.0 243 257 A E H > S+ 0 0 117 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.789 123.4 55.2 -60.0 -35.2 7.9 17.6 -16.4 244 258 A D H > S+ 0 0 76 2,-0.2 4,-2.5 1,-0.2 27,-0.3 0.947 111.7 43.6 -64.5 -46.5 5.9 15.8 -19.2 245 259 A G H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.892 115.1 48.2 -64.4 -41.9 4.2 13.5 -16.7 246 260 A R H X S+ 0 0 54 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.901 111.2 51.1 -66.9 -40.0 3.4 16.4 -14.3 247 261 A S H X S+ 0 0 41 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.958 113.2 45.5 -60.7 -49.9 2.1 18.6 -17.1 248 262 A L H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 3,-0.2 0.923 113.1 49.9 -60.8 -45.0 -0.2 15.7 -18.3 249 263 A L H >X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 3,-0.6 0.916 106.9 54.5 -61.0 -43.7 -1.4 15.0 -14.7 250 264 A S H 3< S+ 0 0 30 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.860 109.0 49.0 -58.4 -35.8 -2.1 18.8 -14.1 251 265 A Q H >< S+ 0 0 67 -4,-1.6 10,-2.5 -3,-0.2 3,-0.5 0.741 110.0 51.7 -75.0 -24.5 -4.4 18.7 -17.2 252 266 A M H << S+ 0 0 0 -4,-1.3 -76,-0.2 -3,-0.6 -2,-0.2 0.703 112.7 46.6 -80.7 -21.4 -6.1 15.5 -15.9 253 267 A L T 3< S+ 0 0 0 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.125 76.2 138.9-111.2 22.2 -6.8 17.2 -12.5 254 268 A H < - 0 0 66 -3,-0.5 6,-0.2 1,-0.1 -3,-0.1 -0.408 52.2-137.1 -63.1 139.0 -8.1 20.6 -13.7 255 269 A Y S S+ 0 0 11 -50,-0.1 -97,-0.2 -43,-0.1 -1,-0.1 0.944 86.9 73.0 -64.2 -52.1 -11.0 21.6 -11.5 256 270 A D S >> S- 0 0 24 -44,-0.5 4,-1.6 1,-0.2 3,-1.5 -0.560 76.1-147.4 -67.5 117.9 -13.3 22.9 -14.3 257 271 A P T 34 S+ 0 0 32 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.790 99.0 57.6 -55.7 -27.0 -14.6 19.7 -16.1 258 272 A N T 34 S+ 0 0 147 1,-0.2 -2,-0.1 -89,-0.0 -3,-0.0 0.735 109.7 42.2 -75.3 -26.0 -14.6 21.8 -19.4 259 273 A K T <4 S+ 0 0 105 -3,-1.5 -1,-0.2 2,-0.1 3,-0.1 0.671 90.7 107.3 -89.8 -24.0 -10.9 22.6 -19.1 260 274 A R S < S- 0 0 13 -4,-1.6 -8,-0.2 -6,-0.2 -9,-0.1 -0.314 82.9-101.8 -60.0 136.8 -9.9 19.1 -18.0 261 275 A I - 0 0 20 -10,-2.5 2,-0.1 -13,-0.2 -1,-0.1 -0.260 32.6-125.8 -63.4 145.0 -8.1 17.2 -20.8 262 276 A S > - 0 0 63 1,-0.1 4,-2.2 -3,-0.1 5,-0.1 -0.504 22.1-113.3 -82.1 166.7 -10.1 14.7 -22.9 263 277 A A H > S+ 0 0 3 2,-0.2 4,-1.7 1,-0.2 -153,-0.1 0.930 118.1 51.3 -65.5 -40.8 -8.9 11.0 -23.3 264 278 A K H > S+ 0 0 168 1,-0.2 4,-0.6 2,-0.2 3,-0.2 0.926 112.5 43.9 -62.8 -47.2 -8.3 11.6 -27.0 265 279 A A H >4 S+ 0 0 48 1,-0.2 3,-1.0 2,-0.2 4,-0.2 0.885 109.8 58.0 -66.1 -34.7 -6.2 14.8 -26.4 266 280 A A H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.853 97.4 61.0 -62.9 -34.3 -4.3 13.1 -23.6 267 281 A L H 3< S+ 0 0 44 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.771 104.1 50.2 -63.8 -25.4 -3.1 10.4 -26.0 268 282 A A T << S+ 0 0 84 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.414 83.1 122.8 -92.4 -0.3 -1.4 13.1 -28.1 269 283 A H S X S- 0 0 19 -3,-1.6 3,-2.4 -4,-0.2 4,-0.1 -0.361 75.4-117.7 -65.1 142.1 0.4 14.6 -25.0 270 284 A P G > S+ 0 0 79 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.706 107.9 77.5 -53.2 -22.3 4.3 14.7 -25.3 271 285 A F G 3 S+ 0 0 1 -27,-0.3 3,-0.5 1,-0.3 -26,-0.1 0.801 93.3 52.1 -56.4 -28.0 4.5 12.3 -22.3 272 286 A F G X S+ 0 0 12 -3,-2.4 3,-1.3 -6,-0.2 -1,-0.3 0.310 76.2 104.0 -95.3 13.4 3.5 9.4 -24.7 273 287 A Q T < S+ 0 0 166 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.859 93.1 30.8 -58.7 -39.2 6.3 10.3 -27.3 274 288 A D T 3 S+ 0 0 94 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.002 86.7 149.2-110.8 25.4 8.4 7.3 -26.1 275 289 A V < + 0 0 40 -3,-1.3 2,-0.2 -176,-0.1 -178,-0.1 -0.310 16.4 170.1 -62.9 141.8 5.6 4.9 -25.0 276 290 A T - 0 0 82 -180,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.769 37.9-113.1-136.8-179.9 6.3 1.1 -25.3 277 291 A K - 0 0 128 -2,-0.2 -180,-0.1 -177,-0.0 -143,-0.1 -0.752 38.4-174.1-124.3 81.5 4.5 -2.0 -24.2 278 292 A P - 0 0 37 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.247 27.2-113.5 -71.0 167.8 6.7 -3.8 -21.5 279 293 A V - 0 0 110 -146,-0.0 2,-0.1 3,-0.0 -147,-0.1 -0.887 28.4-141.5 -99.9 118.4 5.9 -7.2 -20.0 280 294 A P - 0 0 9 0, 0.0 2,-0.8 0, 0.0 -147,-0.1 -0.485 17.1-120.1 -75.6 157.2 5.1 -7.0 -16.2 281 295 A H - 0 0 168 -2,-0.1 2,-0.4 2,-0.0 -150,-0.0 -0.890 38.1-169.1 -96.8 112.3 6.4 -9.8 -14.0 282 296 A L - 0 0 20 -2,-0.8 2,-0.6 -151,-0.1 -198,-0.0 -0.898 18.7-155.2-106.2 135.2 3.2 -11.3 -12.5 283 297 A R 0 0 197 -2,-0.4 -196,-0.0 -199,-0.0 -2,-0.0 -0.955 360.0 360.0-105.2 111.3 3.1 -13.7 -9.7 284 298 A L 0 0 116 -2,-0.6 -205,-0.1 -205,-0.0 -206,-0.0 -0.859 360.0 360.0-111.4 360.0 -0.2 -15.7 -10.0