==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-JAN-05 2BHE . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.SCHAEFER,R.JAUTELAT,T.BRUMBY,H.BRIEM,G.EISENBRAND, . 274 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13956.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 64.2 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 . 35 12.8 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 . 0 0.0 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 . 18 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 27.0 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 0 0 0 1 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 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 43 0, 0.0 3,-0.2 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 0.5 40.6 2.3 -2.7 2 2 A E + 0 0 151 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.050 360.0 92.6-107.1 17.6 39.7 4.1 -5.9 3 3 A N S S+ 0 0 64 21,-0.1 21,-1.7 20,-0.0 22,-0.7 -0.051 72.6 83.5 -95.2 21.8 37.1 1.4 -6.3 4 4 A F E -A 23 0A 21 19,-0.3 2,-0.6 -3,-0.2 19,-0.2 -0.977 60.3-163.9-133.9 118.0 34.7 3.7 -4.6 5 5 A Q E -A 22 0A 113 17,-2.5 17,-2.5 -2,-0.4 2,-0.2 -0.921 25.9-128.0-101.0 124.7 32.7 6.5 -6.2 6 6 A K E +A 21 0A 80 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.458 26.9 178.1 -72.0 139.4 31.2 9.0 -3.7 7 7 A V E - 0 0 77 13,-3.3 2,-0.3 1,-0.4 14,-0.2 0.669 62.1 -31.6-110.0 -34.1 27.5 9.7 -3.9 8 8 A E E -A 20 0A 108 12,-1.5 12,-3.5 0, 0.0 2,-0.7 -0.938 56.1 -98.8-179.1 160.6 27.1 12.2 -1.0 9 9 A K E +A 19 0A 109 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.817 34.9 172.6 -93.2 108.8 28.3 13.2 2.5 10 10 A I E + 0 0 75 8,-1.0 2,-0.3 -2,-0.7 9,-0.2 0.428 61.4 10.4 -99.4 0.2 25.9 11.8 5.1 11 11 A G E -A 18 0A 27 7,-1.3 7,-2.6 2,-0.0 2,-0.3 -0.957 48.6-140.3-174.1 152.5 27.8 12.7 8.2 12 12 A E - 0 0 133 -2,-0.3 5,-0.2 5,-0.2 7,-0.0 -0.588 39.6-158.5-117.2 64.8 30.7 14.7 9.8 13 13 A G - 0 0 16 -2,-0.3 -2,-0.0 1,-0.1 124,-0.0 0.122 26.5-115.9 -42.0 152.1 31.8 12.0 12.3 14 14 A T S S+ 0 0 92 1,-0.2 -1,-0.1 3,-0.0 3,-0.0 0.952 118.8 41.4 -56.0 -48.7 33.8 13.2 15.4 15 15 A Y S S- 0 0 83 1,-0.0 -1,-0.2 2,-0.0 2,-0.2 0.945 134.7 -46.4 -61.2 -58.8 36.8 11.2 14.0 16 16 A G S S- 0 0 18 0, 0.0 2,-0.4 0, 0.0 19,-0.2 -0.538 76.0 -55.2-150.2-143.3 36.4 12.1 10.4 17 17 A V E - B 0 34A 16 17,-1.4 17,-2.7 -5,-0.2 2,-0.4 -0.927 38.1-142.5-120.8 146.1 33.8 12.4 7.6 18 18 A V E -AB 11 33A 25 -7,-2.6 -7,-1.3 -2,-0.4 -8,-1.0 -0.895 15.7-170.2-113.7 133.5 31.3 9.8 6.3 19 19 A Y E -AB 9 32A 43 13,-2.9 13,-3.8 -2,-0.4 2,-0.5 -0.952 26.1-129.1-119.9 137.5 30.3 9.4 2.7 20 20 A K E +AB 8 31A 44 -12,-3.5 -13,-3.3 -2,-0.4 -12,-1.5 -0.730 49.7 166.0 -73.8 128.2 27.6 7.3 0.9 21 21 A A E -AB 6 30A 0 9,-3.1 9,-3.1 -2,-0.5 2,-0.4 -0.938 34.0-132.2-142.5 164.7 29.6 5.6 -1.8 22 22 A R E -AB 5 29A 125 -17,-2.5 -17,-2.5 -2,-0.3 2,-0.7 -0.981 23.4-123.1-126.8 134.4 29.4 2.7 -4.3 23 23 A N E > -A 4 0A 10 5,-2.6 4,-2.6 -2,-0.4 -19,-0.3 -0.559 14.6-158.8 -67.5 106.5 32.0 0.0 -4.9 24 24 A K T 4 S+ 0 0 102 -21,-1.7 -1,-0.2 -2,-0.7 -20,-0.1 0.857 93.2 45.4 -54.6 -33.8 33.0 0.3 -8.6 25 25 A L T 4 S+ 0 0 132 -22,-0.7 -1,-0.1 1,-0.1 -21,-0.1 0.993 129.5 17.4 -74.1 -71.6 34.2 -3.3 -8.2 26 26 A T T 4 S- 0 0 66 -23,-0.2 -2,-0.2 1,-0.1 -1,-0.1 0.474 92.4-137.5 -87.2 1.3 31.5 -5.1 -6.2 27 27 A G < + 0 0 28 -4,-2.6 -3,-0.1 1,-0.2 -1,-0.1 0.319 53.0 141.7 67.1 -13.5 28.8 -2.5 -6.9 28 28 A E - 0 0 97 -6,-0.1 -5,-2.6 1,-0.1 2,-0.4 -0.203 53.7-121.5 -62.0 152.0 27.5 -2.6 -3.4 29 29 A V E +B 22 0A 56 -7,-0.2 45,-0.5 -3,-0.1 2,-0.3 -0.823 43.4 169.2 -93.0 133.1 26.4 0.7 -1.8 30 30 A V E -BC 21 73A 2 -9,-3.1 -9,-3.1 -2,-0.4 2,-0.6 -0.827 40.1-110.7-137.3 174.6 28.3 1.5 1.4 31 31 A A E -BC 20 72A 13 41,-2.4 41,-2.7 -2,-0.3 2,-0.6 -0.961 33.9-159.4-106.6 117.8 29.1 4.1 4.0 32 32 A L E -BC 19 71A 3 -13,-3.8 -13,-2.9 -2,-0.6 2,-0.7 -0.911 4.2-161.5-110.3 122.0 32.7 5.2 3.7 33 33 A K E -BC 18 70A 5 37,-2.8 37,-2.3 -2,-0.6 2,-0.8 -0.863 7.5-153.0 -99.8 110.8 34.4 6.9 6.7 34 34 A K E BC 17 69A 71 -17,-2.7 -17,-1.4 -2,-0.7 35,-0.2 -0.773 360.0 360.0 -83.9 108.6 37.5 8.8 5.9 35 35 A I 0 0 87 33,-3.6 -1,-0.2 -2,-0.8 34,-0.2 0.858 360.0 360.0 -91.8 360.0 39.6 8.7 9.0 36 ! 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 37 45 A P 0 0 162 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -93.6 48.5 5.6 15.3 38 46 A S > + 0 0 75 2,-0.0 4,-1.0 3,-0.0 5,-0.1 0.295 360.0 64.1-155.3 -31.8 49.2 1.9 14.5 39 47 A T H > S+ 0 0 69 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.700 98.1 67.3 -72.9 -17.7 47.5 0.1 17.4 40 48 A A H > S+ 0 0 19 2,-0.2 4,-3.2 1,-0.2 5,-0.5 0.962 94.1 52.2 -54.6 -61.5 44.5 1.7 15.7 41 49 A I H > S+ 0 0 60 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.831 115.6 43.6 -49.8 -34.7 45.0 -0.5 12.6 42 50 A R H X S+ 0 0 141 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.968 115.8 43.0 -79.5 -53.2 45.0 -3.5 15.0 43 51 A E H X S+ 0 0 90 -4,-3.2 4,-1.1 2,-0.2 -2,-0.2 0.915 116.3 47.7 -61.6 -44.7 42.1 -2.6 17.3 44 52 A I H >X S+ 0 0 13 -4,-3.2 3,-2.0 1,-0.2 4,-0.8 0.965 108.5 55.3 -59.0 -49.3 39.8 -1.4 14.5 45 53 A S H >X S+ 0 0 37 -4,-1.2 3,-1.0 -5,-0.5 4,-0.6 0.859 100.0 61.6 -48.1 -39.5 40.7 -4.6 12.6 46 54 A L H >< S+ 0 0 118 -4,-2.0 3,-1.1 1,-0.2 -1,-0.3 0.879 95.8 61.5 -52.1 -38.8 39.5 -6.3 15.7 47 55 A L H X< S+ 0 0 36 -3,-2.0 3,-2.1 -4,-1.1 11,-0.4 0.774 85.3 75.3 -66.1 -27.0 36.1 -4.7 15.0 48 56 A K H << S+ 0 0 59 -3,-1.0 -1,-0.3 -4,-0.8 10,-0.2 0.881 96.1 48.1 -53.4 -39.0 35.7 -6.5 11.7 49 57 A E T << S+ 0 0 146 -3,-1.1 2,-1.8 -4,-0.6 -1,-0.3 0.431 82.1 102.5 -89.2 8.9 34.9 -9.7 13.4 50 58 A L < + 0 0 15 -3,-2.1 2,-0.6 -4,-0.1 8,-0.2 -0.545 54.7 167.9 -84.4 75.4 32.3 -8.1 15.7 51 59 A N + 0 0 61 -2,-1.8 5,-0.1 6,-0.1 6,-0.1 -0.835 7.3 140.0-108.0 124.3 29.3 -9.3 13.7 52 60 A H > - 0 0 41 -2,-0.6 3,-2.4 3,-0.5 54,-0.0 -0.966 57.7-114.2-153.9 142.6 25.8 -9.1 15.0 53 61 A P T 3 S+ 0 0 92 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.730 118.2 47.6 -53.9 -27.4 22.4 -8.2 13.4 54 62 A N T 3 S+ 0 0 12 80,-0.1 81,-2.8 48,-0.1 2,-0.4 0.166 99.4 80.6-105.4 20.2 22.1 -5.1 15.5 55 63 A I B < S-e 135 0B 7 -3,-2.4 -3,-0.5 79,-0.2 81,-0.2 -0.986 86.5-117.9-124.3 123.3 25.7 -3.9 14.8 56 64 A V - 0 0 12 79,-2.0 2,-0.3 -2,-0.4 -2,-0.1 -0.278 41.0-118.1 -48.0 123.5 26.6 -2.1 11.6 57 65 A K - 0 0 62 -4,-0.1 16,-2.4 -6,-0.1 2,-0.7 -0.548 12.2-138.7 -75.4 135.3 29.1 -4.4 9.9 58 66 A L E -D 72 0A 8 -11,-0.4 14,-0.3 -2,-0.3 3,-0.1 -0.831 26.8-179.1 -83.4 117.4 32.6 -3.0 9.3 59 67 A L E + 0 0 44 12,-3.2 2,-0.3 -2,-0.7 13,-0.2 0.947 54.2 1.2 -84.5 -56.6 33.2 -4.4 5.9 60 68 A D E -D 71 0A 80 11,-1.7 11,-3.6 2,-0.0 2,-0.5 -0.950 50.3-151.1-137.3 153.7 36.7 -3.3 5.0 61 69 A V E -D 70 0A 30 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.992 16.8-170.4-121.7 118.2 39.6 -1.3 6.5 62 70 A I E -D 69 0A 34 7,-4.5 7,-2.9 -2,-0.5 2,-0.5 -0.862 5.1-174.0-118.1 105.9 41.7 0.5 4.0 63 71 A H + 0 0 111 -2,-0.6 2,-0.3 5,-0.2 5,-0.1 -0.822 29.1 138.0 -91.5 129.1 45.0 2.0 5.2 64 72 A T > + 0 0 58 -2,-0.5 3,-1.3 -63,-0.0 -2,-0.1 -0.888 61.3 4.2-172.8 134.0 46.6 4.0 2.5 65 73 A E T 3 S- 0 0 151 -2,-0.3 -2,-0.0 1,-0.3 3,-0.0 0.835 122.8 -69.8 58.5 28.4 48.4 7.3 1.9 66 74 A N T 3 S+ 0 0 140 1,-0.1 -1,-0.3 0, 0.0 -3,-0.1 0.916 113.9 119.7 45.8 49.1 48.1 7.6 5.7 67 75 A K < - 0 0 100 -3,-1.3 -1,-0.1 -5,-0.1 -32,-0.1 -0.522 56.7-151.6-136.9 67.9 44.4 8.1 5.0 68 76 A L - 0 0 27 -34,-0.1 -33,-3.6 -5,-0.1 2,-0.5 -0.157 12.0-164.3 -47.4 120.6 42.6 5.3 6.9 69 77 A Y E -CD 34 62A 38 -7,-2.9 -7,-4.5 -35,-0.2 2,-0.5 -0.962 5.4-161.7-110.6 125.8 39.3 4.4 5.2 70 78 A L E -CD 33 61A 12 -37,-2.3 -37,-2.8 -2,-0.5 2,-0.6 -0.941 6.2-155.7-106.5 128.9 36.7 2.3 7.0 71 79 A V E +CD 32 60A 1 -11,-3.6 -12,-3.2 -2,-0.5 -11,-1.7 -0.932 19.1 179.2-108.8 116.5 34.0 0.7 4.8 72 80 A F E -CD 31 58A 30 -41,-2.7 -41,-2.4 -2,-0.6 -14,-0.2 -0.799 37.3 -94.6-113.4 156.5 30.7 -0.0 6.5 73 81 A E E -C 30 0A 53 -16,-2.4 2,-0.4 -2,-0.3 -43,-0.2 -0.391 51.0-124.0 -58.0 148.2 27.4 -1.5 5.6 74 82 A F - 0 0 32 -45,-0.5 2,-0.3 -53,-0.0 -45,-0.1 -0.843 26.4-174.7-106.5 140.0 25.0 1.3 4.7 75 83 A L - 0 0 20 -2,-0.4 53,-0.1 1,-0.1 52,-0.1 -0.959 25.1-132.8-128.4 145.4 21.6 2.2 6.2 76 84 A H S S+ 0 0 106 -2,-0.3 2,-0.3 51,-0.2 52,-0.1 0.700 77.9 27.2 -80.9 -16.4 19.4 4.9 4.9 77 85 A Q E -F 127 0B 18 50,-1.1 50,-2.4 199,-0.1 2,-0.3 -0.975 61.1-139.8-144.0 155.2 18.3 6.7 8.1 78 86 A D E > -F 126 0B 46 -2,-0.3 4,-2.0 48,-0.2 48,-0.2 -0.781 30.0-115.9-111.5 164.9 19.5 7.5 11.6 79 87 A L H > S+ 0 0 0 46,-2.8 4,-3.6 43,-0.9 5,-0.2 0.873 111.5 62.3 -66.9 -33.4 17.3 7.6 14.8 80 88 A K H > S+ 0 0 77 42,-0.8 4,-2.4 45,-0.3 -1,-0.2 0.948 108.1 41.4 -54.2 -49.9 17.9 11.3 15.3 81 89 A K H > S+ 0 0 92 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 114.5 53.2 -67.3 -37.0 16.2 12.2 12.0 82 90 A F H X S+ 0 0 11 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.918 108.8 49.3 -63.3 -42.2 13.5 9.6 12.7 83 91 A M H >X S+ 0 0 19 -4,-3.6 3,-0.7 1,-0.2 4,-0.5 0.958 110.1 50.2 -61.1 -48.1 12.9 11.2 16.1 84 92 A D H >< S+ 0 0 105 -4,-2.4 3,-0.7 1,-0.3 -2,-0.2 0.883 111.4 49.3 -58.7 -37.9 12.6 14.7 14.6 85 93 A A H 3< S+ 0 0 51 -4,-2.2 -1,-0.3 1,-0.2 3,-0.2 0.687 115.0 43.8 -73.9 -20.4 10.2 13.4 11.9 86 94 A S H XX S+ 0 0 18 -4,-1.2 4,-3.5 -3,-0.7 3,-0.7 0.356 83.1 108.6-101.7 4.6 8.0 11.6 14.6 87 95 A A T << S+ 0 0 37 -3,-0.7 -1,-0.1 -4,-0.5 -2,-0.1 0.761 75.9 48.5 -54.8 -33.7 8.2 14.6 17.0 88 96 A L T 34 S+ 0 0 160 -3,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.799 127.9 22.1 -82.9 -28.2 4.6 15.7 16.5 89 97 A T T <4 S- 0 0 107 -3,-0.7 -2,-0.2 -4,-0.1 -1,-0.2 0.531 104.8-128.9-111.1 -20.5 3.0 12.3 17.0 90 98 A G < - 0 0 9 -4,-3.5 -3,-0.1 -7,-0.2 85,-0.1 0.334 32.2 -74.7 77.9 143.2 5.7 10.5 18.9 91 99 A I - 0 0 13 83,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.577 60.8-103.5 -69.1 133.6 7.1 7.1 18.1 92 100 A P >> - 0 0 79 0, 0.0 4,-2.0 0, 0.0 3,-1.4 -0.334 27.2-119.8 -61.0 139.2 4.6 4.5 19.0 93 101 A L H 3> S+ 0 0 67 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.854 110.3 58.2 -48.0 -45.3 5.5 2.6 22.2 94 102 A P H 3> S+ 0 0 65 0, 0.0 4,-1.3 0, 0.0 174,-0.4 0.829 110.5 44.4 -60.3 -27.9 5.7 -0.8 20.6 95 103 A L H <> S+ 0 0 6 -3,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.823 111.7 52.0 -82.0 -35.6 8.4 0.5 18.2 96 104 A I H X S+ 0 0 7 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.918 113.1 46.8 -59.1 -44.4 10.2 2.3 21.0 97 105 A K H X S+ 0 0 11 -4,-3.0 4,-1.9 -5,-0.2 -2,-0.2 0.846 110.7 50.9 -67.7 -37.7 10.2 -1.0 22.8 98 106 A S H X S+ 0 0 4 -4,-1.3 4,-1.9 -5,-0.3 -1,-0.2 0.896 112.0 46.9 -65.6 -43.0 11.4 -2.9 19.8 99 107 A Y H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.889 111.8 49.6 -67.0 -47.4 14.3 -0.6 19.2 100 108 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.930 112.2 49.0 -57.9 -45.2 15.4 -0.6 22.8 101 109 A F H X S+ 0 0 50 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.882 112.5 46.9 -62.9 -41.5 15.3 -4.4 22.9 102 110 A Q H X S+ 0 0 10 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.849 112.2 50.8 -69.2 -35.5 17.3 -4.7 19.7 103 111 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.925 108.9 50.9 -69.8 -43.7 19.8 -2.1 21.0 104 112 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.886 107.7 54.0 -60.1 -35.0 20.2 -4.0 24.2 105 113 A Q H X S+ 0 0 67 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.941 109.4 48.0 -65.3 -41.4 20.8 -7.2 22.2 106 114 A G H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.941 113.6 46.2 -62.4 -47.2 23.6 -5.5 20.3 107 115 A L H X S+ 0 0 0 -4,-2.7 4,-3.6 1,-0.2 5,-0.3 0.923 108.7 54.7 -64.4 -42.0 25.2 -4.2 23.5 108 116 A A H X S+ 0 0 16 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.895 110.7 48.6 -60.9 -35.6 24.9 -7.5 25.2 109 117 A F H X S+ 0 0 48 -4,-1.8 4,-1.0 -5,-0.2 3,-0.2 0.985 116.2 40.1 -62.8 -59.3 26.8 -9.0 22.3 110 118 A C H ><>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 3,-1.6 0.947 115.6 51.8 -51.1 -53.9 29.5 -6.3 22.2 111 119 A H H ><5S+ 0 0 27 -4,-3.6 3,-1.3 1,-0.3 -1,-0.2 0.824 104.3 56.7 -57.3 -36.1 29.8 -6.3 26.0 112 120 A S H 3<5S+ 0 0 84 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.695 109.8 46.8 -67.4 -23.0 30.2 -10.1 26.1 113 121 A H T <<5S- 0 0 106 -3,-1.6 -1,-0.3 -4,-1.0 -2,-0.2 0.241 121.8-108.8 -99.7 6.2 33.2 -9.6 23.8 114 122 A R T < 5S+ 0 0 228 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.747 74.8 133.9 72.1 26.3 34.6 -6.8 25.9 115 123 A V < - 0 0 37 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.2 -0.930 36.4-163.8-106.0 129.3 33.9 -4.0 23.4 116 124 A L - 0 0 14 -2,-0.5 23,-0.1 1,-0.2 44,-0.1 -0.801 17.5-149.8-102.0 153.7 32.3 -0.8 24.6 117 125 A H - 0 0 0 -2,-0.3 22,-2.2 43,-0.1 -1,-0.2 0.938 22.9-175.9 -80.1 -52.0 30.6 1.8 22.3 118 126 A R + 0 0 79 20,-0.1 -1,-0.1 42,-0.1 20,-0.1 0.073 69.1 51.7 82.0 -20.9 31.5 4.7 24.6 119 127 A D + 0 0 19 20,-0.1 5,-0.1 18,-0.1 -1,-0.1 -0.087 67.5 168.4-139.7 44.7 29.7 7.4 22.5 120 128 A L + 0 0 0 26,-0.1 26,-0.1 3,-0.1 17,-0.0 -0.345 11.9 152.4 -61.8 136.0 26.2 6.2 21.9 121 129 A K > - 0 0 13 1,-0.1 3,-1.4 24,-0.1 4,-0.2 -0.954 59.4-101.5-156.2 159.5 23.9 8.9 20.5 122 130 A P G > S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 -43,-0.9 0.856 121.5 60.9 -58.1 -33.0 20.8 9.0 18.3 123 131 A Q G 3 S+ 0 0 61 1,-0.3 -3,-0.1 -44,-0.2 -42,-0.0 0.749 101.7 54.0 -62.9 -26.7 23.0 9.9 15.4 124 132 A N G < S+ 0 0 14 -3,-1.4 12,-2.5 -5,-0.1 2,-0.5 0.287 91.0 86.0 -91.4 5.2 24.9 6.7 15.9 125 133 A L E < - G 0 135B 0 -3,-1.7 -46,-2.8 10,-0.2 2,-0.4 -0.967 64.5-161.9-112.6 126.2 21.8 4.5 15.7 126 134 A L E -FG 78 134B 34 8,-2.3 8,-1.8 -2,-0.5 2,-0.3 -0.870 4.2-164.7-115.7 138.4 20.7 3.4 12.2 127 135 A I E -FG 77 133B 0 -50,-2.4 -50,-1.1 -2,-0.4 2,-0.2 -0.895 2.5-163.3-124.1 151.9 17.4 2.1 11.1 128 136 A N > - 0 0 34 4,-1.3 3,-1.2 -2,-0.3 -53,-0.1 -0.643 40.2 -97.1-118.9 179.6 16.1 0.4 7.9 129 137 A T T 3 S+ 0 0 77 1,-0.3 145,-0.1 -2,-0.2 -2,-0.0 0.708 113.8 69.6 -70.9 -17.9 12.6 -0.3 6.5 130 138 A E T 3 S- 0 0 136 141,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.362 118.6-101.4 -83.9 5.1 12.5 -3.8 8.0 131 139 A G S < S+ 0 0 0 -3,-1.2 2,-0.2 1,-0.3 -2,-0.1 0.605 78.3 138.2 85.1 10.5 12.1 -2.4 11.5 132 140 A A - 0 0 11 137,-0.0 -4,-1.3 -4,-0.0 2,-0.3 -0.547 34.1-165.9 -84.7 155.4 15.8 -3.1 12.4 133 141 A I E - G 0 127B 0 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.987 9.6-163.9-138.9 145.7 18.0 -0.7 14.4 134 142 A K E - G 0 126B 27 -8,-1.8 -8,-2.3 -2,-0.3 2,-0.4 -0.983 22.9-118.9-141.6 144.4 21.8 -0.9 14.6 135 143 A L E -eG 55 125B 0 -81,-2.8 -79,-2.0 -2,-0.4 2,-0.3 -0.643 40.7-172.9 -78.2 125.4 24.7 0.4 16.6 136 144 A A + 0 0 11 -12,-2.5 -12,-0.1 -2,-0.4 -79,-0.0 -0.842 45.3 14.7-120.0 159.8 27.1 2.4 14.5 137 145 A D - 0 0 31 -2,-0.3 -1,-0.2 1,-0.1 -18,-0.1 0.855 66.2-155.6 55.0 56.8 30.5 4.0 14.8 138 146 A F - 0 0 24 -3,-0.2 2,-0.3 1,-0.1 -21,-0.1 -0.320 13.7-131.0 -56.9 138.5 32.0 2.5 18.0 139 147 A G 0 0 11 -22,-2.2 -23,-0.2 1,-0.1 -20,-0.1 -0.679 360.0 360.0 -95.4 153.4 34.7 4.8 19.5 140 148 A L 0 0 103 -2,-0.3 -1,-0.1 -22,-0.1 -22,-0.1 0.501 360.0 360.0 -90.1 360.0 38.1 3.6 20.6 141 ! 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 0.0 142 164 A V 0 0 155 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -24.3 30.3 17.3 20.6 143 165 A T + 0 0 28 1,-0.2 3,-0.3 2,-0.0 41,-0.1 -0.441 360.0 177.7 -71.1 121.2 27.1 16.2 22.4 144 166 A L > + 0 0 37 39,-0.4 3,-1.2 -2,-0.4 -1,-0.2 0.269 53.2 107.2 -99.5 11.8 27.7 15.4 26.0 145 167 A W T 3 S+ 0 0 70 1,-0.3 36,-0.3 38,-0.1 -1,-0.2 0.740 83.9 38.2 -66.2 -23.5 24.0 14.7 26.5 146 168 A Y T 3 S+ 0 0 7 -3,-0.3 2,-0.3 -26,-0.1 -1,-0.3 0.270 84.9 125.7-112.5 6.9 24.5 10.9 26.7 147 169 A R < - 0 0 48 -3,-1.2 -28,-0.1 1,-0.1 16,-0.1 -0.566 62.7-121.0 -72.0 124.1 27.8 10.8 28.6 148 170 A A >> - 0 0 0 -2,-0.3 4,-1.7 14,-0.2 3,-1.0 -0.244 20.2-118.7 -64.4 148.7 27.6 8.7 31.8 149 171 A P H 3> S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 6,-0.2 0.854 110.0 62.9 -66.6 -28.6 28.3 10.5 35.1 150 172 A E H 34>S+ 0 0 1 1,-0.2 5,-2.6 2,-0.2 4,-0.1 0.843 105.2 48.3 -64.8 -26.5 31.4 8.4 35.9 151 173 A I H X45S+ 0 0 36 -3,-1.0 3,-1.4 1,-0.2 -1,-0.2 0.912 110.1 50.5 -76.1 -40.0 33.0 9.7 32.8 152 174 A L H 3<5S+ 0 0 9 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.789 107.3 55.7 -67.1 -22.7 32.2 13.3 33.6 153 175 A L T 3<5S- 0 0 0 -4,-1.6 60,-2.7 2,-0.1 61,-0.5 0.382 125.2 -96.8 -94.7 6.8 33.6 12.8 37.1 154 176 A G T < 5 + 0 0 16 -3,-1.4 2,-0.5 1,-0.3 -3,-0.2 0.682 64.6 157.0 94.4 14.6 37.0 11.7 35.8 155 177 A C < - 0 0 39 -5,-2.6 3,-0.4 1,-0.2 -1,-0.3 -0.599 16.4-176.2 -68.4 119.8 36.9 7.8 35.9 156 178 A K S S+ 0 0 156 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.782 77.2 54.2 -89.1 -24.6 39.5 6.7 33.3 157 179 A Y S S+ 0 0 205 -6,-0.0 -1,-0.2 0, 0.0 -6,-0.0 -0.245 78.3 162.7-103.7 47.9 38.7 3.0 33.7 158 180 A Y - 0 0 64 -3,-0.4 2,-0.1 -2,-0.3 -2,-0.0 -0.031 23.3-138.0 -66.8 168.8 35.0 3.1 33.0 159 181 A S > - 0 0 44 1,-0.0 3,-1.6 -41,-0.0 4,-0.2 -0.452 35.5 -76.0-117.4-172.7 33.0 -0.0 32.0 160 182 A T T >> S+ 0 0 53 1,-0.3 3,-1.6 2,-0.2 4,-1.0 0.668 115.0 80.1 -54.8 -24.3 30.3 -1.4 29.8 161 183 A A H 3> S+ 0 0 7 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.816 77.2 68.9 -60.5 -27.1 27.8 0.4 32.1 162 184 A V H <> S+ 0 0 1 -3,-1.6 4,-1.8 1,-0.2 -1,-0.3 0.841 97.6 52.3 -62.3 -27.7 28.6 3.7 30.3 163 185 A D H <> S+ 0 0 0 -3,-1.6 4,-2.5 -4,-0.2 -1,-0.2 0.836 106.4 52.5 -75.2 -33.3 26.8 2.3 27.3 164 186 A I H X S+ 0 0 1 -4,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.918 107.1 53.7 -67.3 -39.8 23.7 1.4 29.3 165 187 A W H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.969 110.3 45.9 -54.6 -55.2 23.6 5.0 30.7 166 188 A S H X S+ 0 0 4 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.925 111.3 51.5 -57.7 -45.8 23.6 6.4 27.2 167 189 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.864 108.1 53.1 -63.5 -31.4 21.0 4.0 25.9 168 190 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 76,-0.2 -1,-0.2 0.924 106.7 52.0 -69.8 -34.3 18.8 4.9 28.9 169 191 A C H X S+ 0 0 2 -4,-2.1 4,-1.5 2,-0.2 11,-0.4 0.872 112.6 45.5 -65.0 -35.4 19.1 8.6 28.0 170 192 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.882 108.8 55.4 -74.6 -41.3 18.0 7.8 24.4 171 193 A F H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 3,-0.2 0.950 109.3 48.4 -51.9 -53.2 15.2 5.6 25.6 172 194 A A H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 6,-0.3 0.858 110.6 50.4 -55.2 -42.8 13.9 8.5 27.7 173 195 A E H X S+ 0 0 20 -4,-1.5 4,-2.2 2,-0.2 5,-0.4 0.843 106.7 54.2 -70.6 -34.0 14.2 10.9 24.7 174 196 A M H < S+ 0 0 4 -4,-2.4 -83,-0.5 -3,-0.2 -1,-0.2 0.934 113.4 44.1 -59.4 -48.1 12.3 8.5 22.4 175 197 A V H < S+ 0 0 19 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.899 125.8 28.4 -65.9 -46.8 9.4 8.5 24.9 176 198 A T H < S- 0 0 44 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.615 95.6-130.3 -95.8 -12.9 9.2 12.2 25.7 177 199 A R S < S+ 0 0 126 -4,-2.2 2,-0.3 -5,-0.2 -3,-0.2 0.718 78.6 89.8 64.9 27.8 10.5 13.7 22.4 178 200 A R S S- 0 0 204 -5,-0.4 -2,-0.2 -6,-0.3 -1,-0.2 -0.982 88.6 -96.1-148.2 142.5 13.0 15.9 24.3 179 201 A A - 0 0 23 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.244 28.6-142.3 -56.8 137.5 16.6 15.3 25.3 180 202 A L S S+ 0 0 31 -11,-0.4 -1,-0.1 1,-0.2 -34,-0.1 0.958 90.5 11.7 -68.4 -48.1 16.8 14.1 28.9 181 203 A F + 0 0 3 -36,-0.3 2,-2.0 -12,-0.1 -1,-0.2 -0.637 68.8 176.2-133.9 76.1 20.0 16.0 29.8 182 204 A P + 0 0 45 0, 0.0 2,-0.1 0, 0.0 -37,-0.1 -0.430 16.3 171.4 -83.8 69.5 21.0 18.5 27.2 183 205 A G - 0 0 2 -2,-2.0 -39,-0.4 1,-0.1 -38,-0.1 -0.427 27.8-156.0 -75.8 155.8 23.9 20.1 28.9 184 206 A D S S+ 0 0 138 -2,-0.1 2,-0.3 -41,-0.1 -1,-0.1 0.182 78.1 29.0-118.3 19.4 26.1 22.5 26.9 185 207 A S S > S- 0 0 42 1,-0.1 4,-2.6 -41,-0.0 5,-0.2 -0.950 88.4-104.5-161.5 164.7 29.2 22.0 28.9 186 208 A E H > S+ 0 0 111 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.931 123.2 42.1 -64.4 -40.1 30.7 19.2 31.0 187 209 A I H > S+ 0 0 84 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.903 114.2 51.4 -73.5 -40.4 29.8 20.9 34.3 188 210 A D H > S+ 0 0 27 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.848 110.7 51.0 -59.0 -39.0 26.3 21.9 32.9 189 211 A Q H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.920 111.7 45.5 -64.5 -50.5 25.8 18.3 31.9 190 212 A L H X S+ 0 0 4 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.922 113.9 49.2 -60.4 -42.8 26.7 16.9 35.3 191 213 A F H X S+ 0 0 36 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.844 107.1 54.2 -72.0 -32.8 24.6 19.5 37.1 192 214 A R H X S+ 0 0 81 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.879 110.6 48.1 -62.4 -37.3 21.6 18.8 34.8 193 215 A I H X S+ 0 0 0 -4,-1.7 4,-3.1 2,-0.2 5,-0.3 0.903 113.6 46.8 -67.7 -41.3 22.0 15.1 35.8 194 216 A F H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.886 106.7 57.1 -68.1 -41.6 22.2 16.1 39.5 195 217 A R H < S+ 0 0 100 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.834 118.8 33.1 -59.9 -30.0 19.2 18.4 39.3 196 218 A T H < S+ 0 0 35 -4,-1.0 28,-2.5 -5,-0.2 -2,-0.2 0.906 131.2 27.6 -93.1 -50.1 17.1 15.5 38.1 197 219 A L H < S- 0 0 5 -4,-3.1 26,-0.3 26,-0.2 -3,-0.2 0.476 115.1-109.1 -94.7 -1.0 18.5 12.4 39.8 198 220 A G < - 0 0 5 -4,-1.9 24,-0.2 24,-0.4 -3,-0.2 0.312 42.6 -64.9 84.4 147.3 19.8 14.3 42.8 199 221 A T - 0 0 19 22,-1.9 24,-0.1 -5,-0.1 2,-0.0 -0.439 62.0-123.3 -60.8 124.8 23.4 15.0 43.7 200 222 A P + 0 0 2 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.399 33.9 179.1 -72.6 154.0 25.0 11.6 44.4 201 223 A D > - 0 0 72 -2,-0.0 4,-2.3 7,-0.0 3,-0.2 -0.770 48.6 -79.9-139.9-177.9 26.7 10.8 47.7 202 224 A E T 4 S+ 0 0 81 -2,-0.2 6,-0.0 1,-0.2 0, 0.0 0.712 121.7 63.4 -65.8 -18.2 28.4 7.9 49.4 203 225 A V T 4 S+ 0 0 125 2,-0.2 -1,-0.2 1,-0.2 0, 0.0 0.976 117.1 23.4 -69.8 -50.4 25.1 6.3 50.2 204 226 A V T 4 S+ 0 0 80 1,-0.3 44,-0.5 -3,-0.2 -2,-0.2 0.673 138.2 30.3 -89.8 -15.5 23.9 5.8 46.7 205 227 A W S >< S- 0 0 11 -4,-2.3 3,-2.3 42,-0.1 4,-0.3 -0.618 77.1-153.0-144.2 83.8 27.3 5.7 45.1 206 228 A P T 3 S+ 0 0 83 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.335 85.9 20.5 -52.7 119.9 30.2 4.5 47.3 207 229 A G T > S+ 0 0 33 -2,-0.2 3,-1.6 4,-0.0 4,-0.3 0.230 86.8 117.2 104.4 -12.7 33.4 6.1 46.2 208 230 A V G X S+ 0 0 0 -3,-2.3 3,-1.6 1,-0.3 6,-0.1 0.858 72.4 54.3 -55.9 -41.3 31.8 9.0 44.4 209 231 A T G 3 S+ 0 0 59 -4,-0.3 -1,-0.3 1,-0.3 -7,-0.0 0.587 106.3 55.9 -76.6 -4.3 33.3 11.7 46.7 210 232 A S G < S+ 0 0 102 -3,-1.6 -1,-0.3 5,-0.1 -2,-0.2 0.368 80.7 118.0-100.9 1.3 36.7 10.2 45.9 211 233 A M S X S- 0 0 32 -3,-1.6 3,-1.2 -4,-0.3 -57,-0.1 -0.327 77.6-109.2 -68.4 152.4 36.5 10.5 42.1 212 234 A P T 3 S+ 0 0 79 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.754 114.1 31.6 -58.0 -29.7 39.0 12.7 40.3 213 235 A D T 3 S+ 0 0 73 -60,-2.7 -59,-0.2 2,-0.0 2,-0.1 0.410 88.5 121.3-112.5 5.0 36.6 15.6 39.4 214 236 A Y < - 0 0 29 -3,-1.2 3,-0.1 -61,-0.5 -5,-0.0 -0.416 43.3-167.8 -62.4 141.3 34.3 15.3 42.3 215 237 A K > - 0 0 107 1,-0.1 3,-2.4 -2,-0.1 -5,-0.1 -0.990 27.4-140.5-132.5 128.1 34.2 18.5 44.3 216 238 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.803 102.2 68.1 -49.7 -28.6 32.7 19.0 47.8 217 239 A S T 3 + 0 0 100 -3,-0.1 3,-0.1 2,-0.0 -3,-0.0 0.513 68.3 124.7 -75.8 -1.3 31.4 22.3 46.6 218 240 A F S < S- 0 0 14 -3,-2.4 -19,-0.0 1,-0.1 -4,-0.0 -0.357 72.0-111.5 -53.2 128.5 28.9 20.6 44.2 219 241 A P - 0 0 57 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.235 28.6-122.6 -63.3 157.1 25.5 22.0 45.1 220 242 A K - 0 0 168 -3,-0.1 2,-0.3 -22,-0.1 -25,-0.0 -0.825 31.9-177.9-109.0 102.9 23.2 19.4 46.6 221 243 A W - 0 0 83 -2,-0.8 -22,-1.9 -21,-0.0 2,-0.1 -0.750 25.5-121.8 -96.2 147.3 20.0 18.9 44.7 222 244 A A - 0 0 81 -2,-0.3 -24,-0.4 -24,-0.2 2,-0.2 -0.473 38.7 -93.9 -77.7 154.7 17.3 16.5 45.9 223 245 A R - 0 0 118 -26,-0.3 -26,-0.2 -2,-0.1 -27,-0.1 -0.528 43.7-124.6 -71.6 134.9 16.2 13.7 43.6 224 246 A Q - 0 0 73 -28,-2.5 2,-0.3 -2,-0.2 5,-0.1 -0.313 35.0 -82.9 -74.5 158.4 13.2 14.6 41.4 225 247 A D >> - 0 0 110 1,-0.2 3,-1.4 2,-0.1 4,-0.5 -0.458 35.5-144.4 -59.4 120.2 10.0 12.6 41.3 226 248 A F H >> S+ 0 0 33 -2,-0.3 4,-0.9 1,-0.3 3,-0.7 0.771 99.9 61.4 -65.4 -21.9 10.7 9.8 38.8 227 249 A S H 34 S+ 0 0 60 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.733 100.2 57.8 -69.9 -22.8 7.1 10.0 37.5 228 250 A K H <4 S+ 0 0 135 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.671 98.5 61.8 -77.8 -18.2 8.0 13.6 36.6 229 251 A V H << S+ 0 0 24 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.1 0.938 117.7 9.7 -87.8 -46.5 10.9 12.6 34.3 230 252 A V S >< S- 0 0 0 -4,-0.9 3,-2.1 3,-0.1 -1,-0.2 -0.029 88.8-162.9-124.7 41.0 9.4 10.4 31.5 231 253 A P T 3 + 0 0 70 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.286 66.2 26.5 -64.4 152.0 5.6 10.6 31.6 232 254 A P T 3 S+ 0 0 125 0, 0.0 -4,-0.0 0, 0.0 -5,-0.0 -0.769 86.7 120.8-102.8 40.5 3.5 9.0 30.5 233 255 A L < - 0 0 9 -3,-2.1 -3,-0.1 1,-0.1 -57,-0.0 -0.329 64.5-114.0 -57.1 140.0 5.7 5.9 30.3 234 256 A D > - 0 0 60 -3,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.061 29.2 -97.7 -72.5 173.8 4.2 3.0 32.4 235 257 A E H > S+ 0 0 109 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.825 122.6 57.9 -73.2 -31.3 5.9 1.5 35.5 236 258 A D H > S+ 0 0 75 2,-0.2 4,-2.6 1,-0.2 27,-0.3 0.988 113.5 41.7 -55.1 -56.7 7.5 -1.3 33.6 237 259 A G H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.927 114.7 48.3 -53.1 -54.4 9.2 1.3 31.5 238 260 A R H X S+ 0 0 70 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.883 111.9 51.8 -59.6 -36.8 10.0 3.7 34.3 239 261 A S H X S+ 0 0 37 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.944 110.9 45.5 -67.3 -49.7 11.4 0.8 36.3 240 262 A L H X S+ 0 0 0 -4,-2.6 4,-1.1 -5,-0.2 -2,-0.2 0.938 114.4 49.9 -59.4 -45.0 13.7 -0.4 33.6 241 263 A L H >X S+ 0 0 0 -4,-2.9 4,-1.2 1,-0.2 3,-0.5 0.896 106.8 54.2 -62.3 -39.4 14.8 3.2 32.9 242 264 A S H >< S+ 0 0 31 -4,-2.6 3,-0.5 1,-0.3 -1,-0.2 0.920 108.8 48.8 -63.4 -39.0 15.6 3.8 36.6 243 265 A Q H 3< S+ 0 0 66 -4,-2.0 10,-2.7 1,-0.2 3,-0.5 0.717 108.9 54.2 -69.9 -21.3 17.9 0.8 36.7 244 266 A M H << S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.5 -76,-0.2 0.671 110.8 46.8 -81.2 -20.9 19.6 2.1 33.5 245 267 A L S << S+ 0 0 1 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.174 75.9 141.8-110.6 19.4 20.3 5.4 35.2 246 268 A H - 0 0 65 -3,-0.5 6,-0.2 1,-0.1 5,-0.1 -0.367 51.1-137.3 -56.9 139.2 21.6 4.1 38.5 247 269 A Y S S+ 0 0 13 -50,-0.1 -97,-0.2 1,-0.1 -1,-0.1 0.963 87.2 75.2 -63.8 -49.3 24.5 6.4 39.6 248 270 A D S >> S- 0 0 22 -44,-0.5 3,-3.4 1,-0.2 4,-2.1 -0.501 75.0-148.7 -71.9 110.8 26.7 3.5 40.7 249 271 A P T 34 S+ 0 0 24 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.777 99.8 53.9 -49.6 -29.8 28.1 1.7 37.6 250 272 A N T 34 S+ 0 0 136 1,-0.2 -2,-0.1 -89,-0.0 4,-0.1 0.607 110.6 45.9 -86.5 -6.1 28.1 -1.5 39.5 251 273 A K T <4 S+ 0 0 128 -3,-3.4 -1,-0.2 2,-0.1 3,-0.1 0.732 88.0 105.3 -95.4 -30.3 24.4 -1.1 40.3 252 274 A R S < S- 0 0 13 -4,-2.1 -8,-0.2 -6,-0.2 -9,-0.1 -0.114 83.9-102.5 -52.8 136.8 23.4 -0.1 36.7 253 275 A I - 0 0 21 -10,-2.7 2,-0.1 -13,-0.2 -1,-0.1 -0.343 32.9-122.8 -67.1 148.7 21.6 -2.9 35.0 254 276 A S > - 0 0 63 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.465 21.9-114.1 -80.9 159.2 23.6 -4.9 32.5 255 277 A A H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 -147,-0.1 0.945 116.8 52.6 -58.4 -43.9 22.3 -5.2 28.9 256 278 A K H 4 S+ 0 0 156 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.907 111.9 43.3 -61.3 -43.9 21.8 -8.9 29.4 257 279 A A H >4 S+ 0 0 48 1,-0.2 3,-2.0 2,-0.2 4,-0.4 0.912 108.4 59.7 -68.3 -36.5 19.7 -8.5 32.5 258 280 A A H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.3 6,-0.2 0.884 95.8 62.8 -60.1 -34.9 17.8 -5.6 30.9 259 281 A L T 3< S+ 0 0 33 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.745 103.1 50.6 -59.0 -23.2 16.7 -8.0 28.2 260 282 A A T < S+ 0 0 82 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.433 80.7 121.7 -96.4 -2.3 14.8 -10.0 30.9 261 283 A H S X S- 0 0 17 -3,-1.7 3,-2.1 -4,-0.4 4,-0.1 -0.310 74.9-117.4 -62.5 144.6 13.0 -7.0 32.4 262 284 A P G > S+ 0 0 60 0, 0.0 3,-2.4 0, 0.0 4,-0.3 0.737 107.0 79.5 -51.5 -24.6 9.2 -7.4 32.4 263 285 A F G 3 S+ 0 0 1 -27,-0.3 3,-0.4 1,-0.3 -26,-0.1 0.817 94.2 49.5 -53.8 -29.0 8.9 -4.3 30.2 264 286 A F G X S+ 0 0 12 -3,-2.1 3,-1.5 -6,-0.2 -1,-0.3 0.198 77.0 107.2 -95.6 12.2 9.8 -6.6 27.3 265 287 A Q T < S+ 0 0 164 -3,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.903 92.9 28.9 -56.2 -39.7 7.2 -9.2 28.2 266 288 A D T 3 S+ 0 0 107 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.041 87.3 151.5-110.5 27.6 5.1 -8.2 25.2 267 289 A V < + 0 0 42 -3,-1.5 2,-0.2 -170,-0.1 -172,-0.1 -0.316 15.1 170.2 -64.7 146.1 7.9 -7.0 22.9 268 290 A T - 0 0 85 -174,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.717 35.7-112.0-135.7-173.4 7.2 -7.2 19.2 269 291 A K + 0 0 124 -2,-0.2 -174,-0.1 -172,-0.0 -137,-0.0 -0.681 37.2 173.6-131.0 77.2 8.8 -6.0 16.0 270 292 A P - 0 0 41 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.161 29.3-119.0 -72.3 178.3 6.8 -3.4 14.1 271 293 A V - 0 0 96 -140,-0.0 -141,-0.1 3,-0.0 2,-0.1 -0.979 19.6-129.8-121.9 133.3 8.0 -1.6 11.1 272 294 A P - 0 0 12 0, 0.0 2,-0.9 0, 0.0 -141,-0.1 -0.442 20.2-119.4 -75.7 154.5 8.5 2.2 10.9 273 295 A H - 0 0 190 -2,-0.1 2,-0.4 2,-0.0 -144,-0.0 -0.880 40.8-167.6 -94.4 103.7 7.1 4.2 8.0 274 296 A L - 0 0 23 -2,-0.9 2,-0.8 -145,-0.1 -192,-0.0 -0.799 20.0-154.2 -98.5 131.6 10.3 5.7 6.6 275 297 A R 0 0 149 -2,-0.4 -2,-0.0 0, 0.0 -1,-0.0 -0.836 360.0 360.0-104.2 92.9 10.4 8.5 4.1 276 298 A L 0 0 135 -2,-0.8 -199,-0.1 -199,-0.0 -200,-0.0 -0.311 360.0 360.0 -82.0 360.0 13.7 8.0 2.3