==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (PHOSPHOTRANSFERASE/ADENOSINE) 01-JUL-97 1BKX . COMPND 2 MOLECULE: CAMP-DEPENDENT PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR N.NARAYANA,S.COX,N.XUONG,L.F.TEN EYCK,S.S.TAYLOR . 339 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16398.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0.6 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 . 36 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 25.7 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+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 0 2 0 1 1 0 0 0 0 1 1 0 1 0 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 . 2 1 1 0 1 2 0 1 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 . 1 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 12 A Q 0 0 163 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 19.2 17.5 61.9 44.6 2 13 A E >> + 0 0 133 3,-0.0 4,-0.6 4,-0.0 3,-0.5 0.694 360.0 14.8 -96.9 -80.1 21.1 63.1 44.6 3 14 A S H >> S+ 0 0 95 1,-0.3 2,-1.7 2,-0.2 4,-1.2 0.897 119.7 71.0 -60.1 -39.6 22.9 61.1 42.0 4 15 A V H 34 S+ 0 0 54 1,-0.2 -1,-0.3 2,-0.2 0, 0.0 -0.170 102.5 42.7 -75.2 47.2 19.4 59.9 40.6 5 16 A K H <> S+ 0 0 142 -2,-1.7 4,-0.6 -3,-0.5 -1,-0.2 0.310 101.7 62.8-158.8 -23.4 18.7 63.5 39.1 6 17 A E H X>S+ 0 0 80 -4,-1.2 4,-5.6 2,-0.2 3,-0.8 1.000 104.0 54.6 -60.9 -77.3 21.7 61.6 35.3 8 19 A L H 345S+ 0 0 37 1,-0.3 4,-0.4 2,-0.3 -1,-0.2 0.674 118.4 38.6 -33.4 -37.0 18.2 62.2 34.1 9 20 A A H 3X5S+ 0 0 62 -4,-0.6 4,-1.3 2,-0.2 -1,-0.3 0.815 118.4 46.0 -86.6 -41.0 19.1 65.6 33.1 10 21 A K H < S+ 0 0 111 -4,-1.6 3,-0.8 2,-0.2 -2,-0.2 0.913 113.6 41.9 -42.0 -82.0 20.8 65.7 20.5 18 29 A K H >< S+ 0 0 86 -4,-1.3 3,-1.8 1,-0.3 -1,-0.2 0.853 114.2 55.2 -32.5 -56.8 20.6 62.2 19.0 19 30 A W H 3< S+ 0 0 31 -4,-3.2 2,-1.4 1,-0.3 -1,-0.3 0.926 108.6 48.2 -39.5 -58.0 16.8 62.8 19.0 20 31 A E T << S+ 0 0 115 -4,-3.9 -1,-0.3 -3,-0.8 -2,-0.2 -0.250 122.9 29.4 -85.7 47.9 17.4 65.9 17.0 21 32 A T < - 0 0 105 -3,-1.8 2,-0.6 -2,-1.4 -1,-0.2 -0.019 69.2-171.1 158.0 92.0 19.8 64.2 14.4 22 33 A P - 0 0 35 0, 0.0 60,-0.1 0, 0.0 64,-0.1 -0.842 22.3-132.3-104.2 113.1 19.5 60.5 13.4 23 34 A S - 0 0 89 -2,-0.6 3,-0.1 62,-0.1 2,-0.1 -0.190 32.0-172.1 -50.8 146.1 22.1 58.9 11.3 24 35 A Q + 0 0 77 1,-0.4 74,-0.4 73,-0.0 -1,-0.1 -0.073 53.5 37.2-115.0-130.4 20.2 57.0 8.6 25 36 A N + 0 0 101 1,-0.2 -1,-0.4 -2,-0.1 74,-0.3 0.216 58.6 155.9 -20.4 120.5 21.6 54.6 6.1 26 37 A T + 0 0 62 72,-0.7 2,-0.3 1,-0.3 73,-0.2 0.282 58.0 0.4-138.9 4.8 24.3 52.6 8.0 27 38 A A - 0 0 13 71,-0.2 2,-0.4 73,-0.1 -1,-0.3 -0.987 61.2-111.9-177.8 172.4 24.5 49.4 6.0 28 39 A Q > - 0 0 131 -2,-0.3 3,-2.2 1,-0.1 4,-0.2 -0.928 29.9-118.3-125.8 145.8 23.4 47.3 3.3 29 40 A L G > S+ 0 0 10 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.828 110.4 62.9 -42.1 -45.1 21.4 44.0 3.4 30 41 A D G 3 S+ 0 0 115 1,-0.3 -1,-0.3 3,-0.1 22,-0.1 0.590 83.6 75.0 -60.7 -19.2 24.4 42.1 1.7 31 42 A Q G < S+ 0 0 60 -3,-2.2 21,-2.4 21,-0.1 2,-0.3 0.659 99.6 61.5 -69.7 -6.8 26.6 42.8 4.6 32 43 A F E < S-A 51 0A 0 -3,-2.1 2,-0.6 19,-0.2 19,-0.2 -0.902 71.9-142.7-126.2 152.0 24.6 40.2 6.2 33 44 A D E -A 50 0A 84 17,-2.6 17,-2.7 -2,-0.3 2,-0.4 -0.912 29.3-127.9-109.4 113.7 23.7 36.6 5.8 34 45 A R E +A 49 0A 86 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.448 35.1 168.4 -66.3 121.1 20.1 35.8 6.7 35 46 A I E - 0 0 90 13,-2.9 2,-0.3 -2,-0.4 14,-0.2 0.894 50.3 -26.2 -97.5 -60.9 20.0 32.9 9.2 36 47 A K E -A 48 0A 43 12,-1.4 12,-5.4 285,-0.0 2,-0.5 -0.987 55.8 -98.0-162.8 153.6 16.5 32.5 10.6 37 48 A T E +A 47 0A 0 -2,-0.3 282,-0.5 10,-0.3 10,-0.3 -0.645 34.6 175.3 -80.3 122.8 13.1 34.1 11.5 38 49 A L E - 0 0 8 8,-2.2 279,-0.5 -2,-0.5 2,-0.3 0.894 56.1 -12.3 -92.1 -57.4 12.8 35.1 15.2 39 50 A G E -A 46 0A 18 7,-2.5 7,-2.2 277,-0.1 -1,-0.2 -0.870 66.6-114.9-140.3-179.2 9.5 37.0 15.8 40 51 A T E +A 45 0A 102 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.501 18.7 178.1-123.0-173.0 6.8 38.5 13.9 41 52 A G E > -A 44 0A 35 3,-0.5 3,-1.1 -2,-0.2 -2,-0.0 -0.847 38.2-125.6 180.0 144.5 4.8 41.5 12.9 42 53 A S T 3 S+ 0 0 96 1,-0.3 3,-0.1 -2,-0.2 21,-0.0 0.482 118.2 42.1 -74.8 -3.6 1.8 42.5 10.7 43 54 A F T 3 S- 0 0 27 25,-0.1 2,-0.3 20,-0.0 -1,-0.3 -0.057 130.1 -29.6-136.1 35.1 4.3 45.0 9.3 44 55 A G E < -A 41 0A 21 -3,-1.1 -3,-0.5 19,-0.3 2,-0.2 -0.976 63.9 -96.0 159.7-144.2 7.5 43.1 8.9 45 56 A R E -A 40 0A 35 -2,-0.3 17,-1.7 17,-0.3 2,-0.7 -0.886 16.2-137.2-173.6 139.1 9.5 40.2 10.5 46 57 A V E +AB 39 61A 33 -7,-2.2 -7,-2.5 -2,-0.2 -8,-2.2 -0.913 36.6 166.7-112.7 115.3 12.3 39.9 12.9 47 58 A M E -AB 37 60A 7 13,-2.5 13,-3.0 -2,-0.7 2,-0.3 -0.848 38.1 -99.5-132.6 164.5 14.9 37.5 12.0 48 59 A L E +AB 36 59A 3 -12,-5.4 -13,-2.9 -2,-0.3 -12,-1.4 -0.591 39.1 178.0 -80.3 128.2 18.4 36.3 12.7 49 60 A V E -AB 34 58A 1 9,-1.0 9,-1.6 -2,-0.3 2,-0.5 -0.984 21.7-139.7-135.9 144.2 21.3 37.6 10.5 50 61 A K E -AB 33 57A 76 -17,-2.7 -17,-2.6 -2,-0.3 2,-0.5 -0.891 20.3-130.8-106.1 122.6 25.0 37.0 10.6 51 62 A H E -A 32 0A 10 5,-1.8 5,-0.4 -2,-0.5 -19,-0.2 -0.608 15.1-141.3 -73.8 120.9 27.3 39.9 9.9 52 63 A K S S+ 0 0 93 -21,-2.4 -1,-0.1 -2,-0.5 -20,-0.1 0.945 90.4 33.9 -44.8 -69.1 29.8 38.9 7.3 53 64 A E S S+ 0 0 162 -22,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.917 125.0 34.5 -51.6 -97.9 33.0 40.7 8.6 54 65 A S S S- 0 0 48 1,-0.2 2,-4.8 2,-0.1 -3,-0.2 -0.468 92.6-128.2 -61.8 108.4 32.6 40.6 12.3 55 66 A G + 0 0 41 -2,-0.6 2,-0.6 -5,-0.1 -1,-0.2 -0.211 61.7 142.2 -59.0 59.6 30.9 37.3 12.8 56 67 A N - 0 0 71 -2,-4.8 -5,-1.8 -5,-0.4 2,-0.2 -0.934 44.4-146.5-112.9 117.9 28.3 39.0 14.9 57 68 A H E +B 50 0A 47 -2,-0.6 54,-0.4 -7,-0.2 2,-0.2 -0.503 23.0 172.4 -75.1 149.2 24.8 38.1 14.8 58 69 A Y E -B 49 0A 26 -9,-1.6 -9,-1.0 -2,-0.2 2,-0.4 -0.568 32.2-109.1-131.7-163.6 22.4 40.9 15.2 59 70 A A E -BC 48 109A 9 50,-1.8 50,-2.3 -2,-0.2 2,-0.7 -0.977 26.4-151.6-145.6 123.5 18.6 40.9 14.8 60 71 A M E -BC 47 108A 3 -13,-3.0 -13,-2.5 -2,-0.4 2,-0.4 -0.905 7.7-163.0-109.6 112.0 16.9 42.5 12.0 61 72 A K E -BC 46 107A 16 46,-3.4 46,-1.9 -2,-0.7 2,-0.4 -0.767 15.8-171.4 -79.7 132.4 13.6 43.9 12.1 62 73 A I E - C 0 106A 14 -17,-1.7 2,-0.4 -2,-0.4 -17,-0.3 -0.875 6.0-172.3-138.0 103.8 12.3 44.4 8.5 63 74 A L E - C 0 105A 0 42,-1.8 42,-4.0 -2,-0.4 2,-0.6 -0.803 24.5-125.3 -93.5 133.6 9.1 46.3 7.8 64 75 A D E >> - C 0 104A 46 -2,-0.4 3,-2.2 40,-0.3 4,-1.3 -0.679 12.8-136.4 -82.5 125.3 7.7 46.4 4.2 65 76 A K T 34 S+ 0 0 4 38,-1.4 4,-0.5 -2,-0.6 39,-0.2 0.786 101.1 51.6 -47.2 -35.5 7.1 49.8 2.9 66 77 A Q T 3> S+ 0 0 96 37,-0.5 4,-0.9 1,-0.2 -1,-0.3 0.729 105.4 50.7 -84.0 -15.8 3.8 48.8 1.5 67 78 A K H <> S+ 0 0 98 -3,-2.2 4,-0.5 1,-0.2 6,-0.2 0.715 104.5 59.1 -90.1 -19.1 2.2 47.2 4.5 68 79 A V H < S+ 0 0 0 -4,-1.3 6,-0.5 2,-0.2 5,-0.3 0.599 103.4 52.6 -83.7 -11.8 3.0 50.1 6.8 69 80 A V H >4 S+ 0 0 44 -4,-0.5 3,-4.4 3,-0.2 -2,-0.2 0.910 95.9 61.1 -89.8 -46.3 1.1 52.5 4.7 70 81 A K H 3< S+ 0 0 178 -4,-0.9 -2,-0.2 1,-0.3 -1,-0.1 0.802 118.8 35.7 -47.8 -27.1 -2.2 50.7 4.4 71 82 A L T 3< S- 0 0 70 -4,-0.5 -1,-0.3 -28,-0.0 -2,-0.2 -0.012 106.0-131.0-112.2 17.8 -2.1 51.2 8.3 72 83 A K X + 0 0 145 -3,-4.4 2,-1.6 1,-0.2 3,-1.5 0.482 54.5 153.4 41.7 7.2 -0.4 54.6 8.0 73 84 A Q T 3> + 0 0 38 -5,-0.3 4,-3.4 1,-0.3 -1,-0.2 0.341 44.0 96.6 -45.6 7.3 2.0 53.1 10.6 74 85 A I H 3> S+ 0 0 18 -2,-1.6 4,-1.4 -6,-0.5 -1,-0.3 0.957 71.3 56.9 -62.3 -60.7 4.5 55.6 9.1 75 86 A E H <> S+ 0 0 144 -3,-1.5 4,-0.6 2,-0.2 3,-0.3 0.906 119.4 37.0 -39.6 -43.1 4.0 58.2 11.6 76 87 A H H >> S+ 0 0 31 -4,-0.3 3,-3.6 1,-0.2 4,-1.2 0.999 106.1 61.0 -70.7 -74.3 5.0 55.5 14.0 77 88 A T H 3< S+ 0 0 3 -4,-3.4 4,-0.5 1,-0.3 -1,-0.2 0.521 104.3 57.5 -31.9 -16.1 7.7 53.5 12.1 78 89 A L H 3X S+ 0 0 17 -4,-1.4 4,-2.3 -3,-0.3 -1,-0.3 0.788 104.1 45.2 -94.5 -34.1 9.7 56.6 12.1 79 90 A N H S+ 0 0 0 -4,-0.5 4,-2.6 -5,-0.3 5,-0.2 0.988 115.5 49.7 -67.2 -56.6 13.9 54.5 14.7 82 93 A R H < S+ 0 0 64 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.807 116.1 44.8 -54.2 -30.7 14.3 58.0 16.0 83 94 A I H >X S+ 0 0 1 -4,-3.7 4,-5.4 2,-0.2 3,-2.0 0.975 113.6 43.6 -77.6 -62.1 13.9 56.7 19.5 84 95 A L H 3< S+ 0 0 11 -4,-2.3 11,-0.5 1,-0.3 -2,-0.2 0.764 112.7 58.2 -49.9 -34.7 16.1 53.6 19.5 85 96 A Q T 3< S+ 0 0 35 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.716 123.1 21.0 -68.8 -26.1 18.5 55.8 17.7 86 97 A A T <4 S+ 0 0 1 -3,-2.0 -2,-0.2 -4,-0.4 -3,-0.2 0.706 100.1 97.8-112.7 -35.8 18.6 58.3 20.7 87 98 A V < - 0 0 11 -4,-5.4 2,-0.2 -5,-0.1 59,-0.0 -0.092 52.4-175.4 -51.7 152.5 17.3 56.2 23.6 88 99 A N + 0 0 100 6,-0.1 -73,-0.1 -77,-0.0 3,-0.1 -0.770 21.8 113.3-164.9 114.9 20.2 54.9 25.7 89 100 A F > - 0 0 15 -2,-0.2 3,-1.5 3,-0.2 53,-0.0 -0.904 62.5-106.7-179.5 148.0 20.1 52.6 28.7 90 101 A P T 3 S+ 0 0 38 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.866 115.3 47.4 -53.8 -51.0 21.1 49.2 29.9 91 102 A F T 3 S+ 0 0 0 47,-0.1 80,-1.8 79,-0.1 2,-0.4 0.464 96.2 93.6 -80.7 3.1 17.8 47.6 29.9 92 103 A L B < S-e 171 0B 5 -3,-1.5 -3,-0.2 78,-0.2 2,-0.2 -0.779 85.0-109.5 -98.1 139.1 17.0 48.9 26.4 93 104 A V - 0 0 5 78,-1.6 2,-0.3 -2,-0.4 -2,-0.1 -0.484 37.4-119.0 -68.0 129.7 17.7 46.9 23.3 94 105 A K - 0 0 115 -2,-0.2 16,-1.8 -4,-0.1 2,-0.5 -0.591 16.7-147.8 -74.4 131.6 20.7 48.3 21.3 95 106 A L E +D 109 0A 30 -11,-0.5 14,-0.3 -2,-0.3 3,-0.1 -0.833 19.4 175.0 -96.8 126.8 20.1 49.5 17.7 96 107 A E E + 0 0 78 12,-3.1 2,-0.3 -2,-0.5 13,-0.2 0.833 56.1 1.9-101.1 -39.8 23.1 49.0 15.6 97 108 A F E -D 108 0A 35 11,-1.0 11,-1.9 2,-0.0 2,-0.4 -0.997 47.6-165.6-149.1 156.0 22.1 50.0 12.0 98 109 A S E +D 107 0A 7 -74,-0.4 -72,-0.7 -2,-0.3 2,-0.3 -0.958 22.0 147.7-149.8 123.4 19.3 51.3 9.9 99 110 A F E -D 106 0A 3 7,-1.1 7,-1.9 -2,-0.4 2,-0.4 -0.931 26.9-144.4-142.5 165.1 19.0 51.3 6.1 100 111 A K E -D 105 0A 43 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.937 6.1-161.3-134.8 151.2 16.3 51.0 3.7 101 112 A D E > -D 104 0A 37 3,-1.7 3,-1.4 -2,-0.4 2,-0.2 -0.990 48.1 -79.6-137.0 135.1 16.1 49.4 0.4 102 113 A N T 3 S+ 0 0 49 -2,-0.4 224,-0.1 1,-0.2 3,-0.1 0.343 122.5 24.7 14.6 -63.1 13.6 50.1 -2.3 103 114 A S T 3 S+ 0 0 4 1,-0.2 -38,-1.4 222,-0.2 -37,-0.5 0.833 119.9 16.5 -92.4 -47.4 10.9 48.0 -0.8 104 115 A N E < -CD 64 101A 17 -3,-1.4 -3,-1.7 -40,-0.3 -40,-0.3 -0.915 65.8-114.5-138.0 162.2 11.1 47.6 2.9 105 116 A L E -CD 63 100A 0 -42,-4.0 -42,-1.8 -2,-0.3 2,-0.4 -0.709 21.8-150.0 -99.2 152.6 12.8 49.1 6.0 106 117 A Y E +CD 62 99A 0 -7,-1.9 -7,-1.1 -2,-0.3 2,-0.4 -0.955 17.3 177.7-135.3 129.5 15.4 47.7 8.4 107 118 A M E -CD 61 98A 0 -46,-1.9 -46,-3.4 -2,-0.4 2,-0.5 -0.959 17.3-160.5-115.6 131.3 16.3 48.2 12.0 108 119 A V E +CD 60 97A 0 -11,-1.9 -12,-3.1 -2,-0.4 -11,-1.0 -0.880 14.9 178.9-125.1 97.1 19.1 45.9 13.3 109 120 A M E -CD 59 95A 8 -50,-2.3 -50,-1.8 -2,-0.5 -14,-0.2 -0.206 38.1 -82.8 -85.0 179.5 19.3 45.4 17.1 110 121 A E - 0 0 65 -16,-1.8 2,-1.0 -52,-0.2 -1,-0.2 -0.494 52.9-107.3 -78.9 152.0 21.6 43.5 19.3 111 122 A Y - 0 0 23 -54,-0.4 2,-1.1 -2,-0.2 200,-0.1 -0.738 24.8-163.3 -97.5 104.2 20.6 39.9 19.6 112 123 A V > - 0 0 8 -2,-1.0 3,-0.6 1,-0.2 51,-0.2 -0.707 11.4-178.8 -85.5 99.3 19.1 38.9 22.9 113 124 A A T 3 + 0 0 7 -2,-1.1 202,-0.2 1,-0.2 -1,-0.2 0.855 61.0 82.2 -63.4 -52.2 19.4 35.1 22.8 114 125 A G T 3 S- 0 0 0 49,-0.5 -1,-0.2 1,-0.1 50,-0.2 0.667 98.0-120.9 -35.6 -24.8 17.8 34.0 26.1 115 126 A G < - 0 0 0 -3,-0.6 48,-1.9 48,-0.3 201,-0.1 -0.062 36.2 -48.4 96.8 155.7 14.5 34.3 24.5 116 127 A E B >> -F 162 0B 29 199,-0.3 3,-1.0 46,-0.2 4,-1.0 -0.256 46.0-128.5 -64.0 144.8 11.4 36.3 25.1 117 128 A M H 3> S+ 0 0 0 44,-3.1 4,-2.2 41,-0.7 5,-0.3 0.900 98.5 72.5 -62.6 -49.9 10.0 36.4 28.6 118 129 A F H 3> S+ 0 0 60 40,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.739 101.4 48.8 -34.5 -33.6 6.5 35.4 27.8 119 130 A S H <> S+ 0 0 36 -3,-1.0 4,-2.9 39,-0.2 -1,-0.2 0.933 106.0 48.3 -82.1 -53.3 7.8 32.0 27.2 120 131 A H H X S+ 0 0 8 -4,-1.0 4,-3.1 1,-0.3 5,-0.4 0.987 111.9 55.5 -52.4 -46.1 9.9 31.2 30.2 121 132 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.3 -1,-0.3 0.874 110.7 42.2 -48.3 -51.3 7.0 32.4 32.2 122 133 A R H < S+ 0 0 124 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.807 117.8 47.4 -72.1 -29.9 4.7 29.9 30.5 123 134 A R H < S+ 0 0 158 -4,-2.9 -2,-0.2 -3,-0.3 -3,-0.2 0.989 116.7 40.3 -69.3 -62.2 7.1 27.2 30.7 124 135 A I H < S- 0 0 73 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.762 105.0-129.5 -54.4 -40.9 8.1 27.7 34.3 125 136 A G < - 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0 0 15 0, 0.0 -1,-0.1 0, 0.0 -10,-0.1 -0.686 21.1-108.2-104.3 160.0 -3.1 38.1 34.3 226 237 A P S S+ 0 0 22 0, 0.0 2,-0.5 0, 0.0 19,-0.2 0.904 104.1 36.1 -51.4 -59.6 -5.6 40.2 36.3 227 238 A F S S+ 0 0 3 -35,-0.3 2,-0.2 17,-0.1 8,-0.1 -0.904 76.1 137.1-106.0 126.8 -8.0 41.0 33.5 228 239 A F + 0 0 114 -2,-0.5 2,-0.2 -4,-0.0 3,-0.0 -0.816 10.0 151.1-173.8 129.2 -8.7 38.4 31.0 229 240 A A - 0 0 34 -2,-0.2 -37,-0.0 1,-0.1 -2,-0.0 -0.610 52.0 -91.9-136.8-166.1 -11.6 36.9 29.0 230 241 A D S S+ 0 0 148 1,-0.3 -1,-0.1 -2,-0.2 3,-0.0 0.932 103.8 32.8 -84.3 -57.6 -12.1 35.2 25.6 231 242 A Q S >> S- 0 0 124 1,-0.1 3,-1.8 -3,-0.0 4,-0.8 -0.926 84.9-117.2-111.2 136.2 -13.0 38.0 23.4 232 243 A P H 3> S+ 0 0 55 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.710 106.5 59.3 -34.6 -58.0 -11.8 41.6 23.8 233 244 A I H >> S+ 0 0 123 2,-0.2 4,-1.5 1,-0.2 3,-0.5 0.919 106.9 50.8 -46.0 -43.9 -15.0 43.4 24.4 234 245 A Q H <> S+ 0 0 73 -3,-1.8 4,-1.8 1,-0.3 3,-0.3 0.987 106.5 51.0 -56.2 -63.5 -15.5 41.3 27.5 235 246 A I H 3X S+ 0 0 7 -4,-0.8 4,-1.5 1,-0.2 -1,-0.3 0.676 106.7 65.4 -41.3 -26.8 -11.9 41.9 28.9 236 247 A Y H XX S+ 0 0 57 -4,-1.5 4,-1.4 -3,-0.5 3,-0.5 0.992 100.9 39.4 -67.4 -65.6 -12.9 45.5 28.3 237 248 A E H 3X S+ 0 0 140 -4,-1.5 4,-2.0 -3,-0.3 5,-0.2 0.888 112.7 61.8 -52.1 -37.4 -15.8 46.0 30.8 238 249 A K H 3X S+ 0 0 75 -4,-1.8 4,-1.9 1,-0.2 5,-0.5 0.924 101.5 50.3 -49.7 -56.1 -13.8 43.9 33.3 239 250 A I H << S+ 0 0 0 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.845 109.8 48.4 -53.8 -47.3 -10.9 46.4 33.3 240 251 A V H < S+ 0 0 55 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.825 107.2 54.0 -69.5 -36.1 -13.1 49.5 34.0 241 252 A S H < S- 0 0 60 -4,-2.0 -1,-0.2 -3,-0.1 -2,-0.2 0.944 94.8-158.5 -60.2 -43.0 -15.0 47.9 36.8 242 253 A G < + 0 0 19 -4,-1.9 2,-1.0 1,-0.2 -3,-0.1 0.551 29.6 157.5 78.8 12.7 -11.5 47.2 38.2 243 254 A K - 0 0 177 -5,-0.5 2,-0.4 2,-0.0 -1,-0.2 -0.601 20.8-171.6 -73.3 107.0 -12.4 44.3 40.5 244 255 A V - 0 0 33 -2,-1.0 2,-0.5 -3,-0.1 -17,-0.1 -0.868 11.1-154.0-102.1 135.9 -9.1 42.5 41.0 245 256 A R - 0 0 166 -2,-0.4 -2,-0.0 -19,-0.2 0, 0.0 -0.912 11.1-145.1-104.9 126.5 -8.9 39.1 42.8 246 257 A F - 0 0 23 -2,-0.5 9,-0.0 2,-0.0 -28,-0.0 -0.754 17.9-119.2 -93.9 136.0 -5.6 38.1 44.4 247 258 A P > - 0 0 3 0, 0.0 3,-1.9 0, 0.0 -1,-0.0 -0.377 28.4-113.9 -64.3 149.1 -4.5 34.7 44.5 248 259 A S T 3 S+ 0 0 117 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.815 111.4 61.6 -50.2 -39.9 -4.1 33.3 48.0 249 260 A H T 3 S+ 0 0 75 -27,-0.0 2,-0.4 3,-0.0 -1,-0.3 0.438 75.0 121.0 -74.7 2.4 -0.3 33.0 47.6 250 261 A F < - 0 0 8 -3,-1.9 -4,-0.0 1,-0.1 -28,-0.0 -0.502 68.1-121.2 -69.7 130.9 0.3 36.7 47.1 251 262 A S > - 0 0 36 -2,-0.4 4,-1.6 1,-0.1 -1,-0.1 -0.056 25.1-114.6 -53.9 170.8 2.5 38.2 49.6 252 263 A S T 4 S+ 0 0 104 2,-0.2 4,-0.4 1,-0.2 -1,-0.1 0.843 117.7 48.3 -81.0 -34.1 0.8 41.0 51.5 253 264 A D T > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 32,-0.3 0.723 107.4 59.0 -77.7 -18.4 3.0 43.7 50.1 254 265 A L H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.976 105.4 47.2 -67.0 -57.4 2.4 42.2 46.7 255 266 A K H X S+ 0 0 47 -4,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.645 112.0 55.3 -59.2 -15.0 -1.2 42.8 47.1 256 267 A D H > S+ 0 0 66 -4,-0.4 4,-0.6 2,-0.2 -2,-0.2 0.953 106.8 44.5 -81.5 -58.5 -0.3 46.3 48.3 257 268 A L H >X S+ 0 0 2 -4,-2.3 3,-3.4 2,-0.2 4,-1.2 0.961 112.6 57.3 -41.8 -68.0 1.7 47.4 45.4 258 269 A L H >X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.3 3,-1.4 0.722 101.9 46.4 -30.6 -85.5 -0.8 46.1 43.0 259 270 A R H 3< S+ 0 0 146 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.542 111.2 58.0 -48.6 -3.6 -4.0 47.7 43.9 260 271 A N H << S+ 0 0 45 -3,-3.4 10,-0.6 -4,-0.6 3,-0.3 0.855 116.3 32.4 -88.9 -42.9 -2.0 51.0 44.0 261 272 A L H << S+ 0 0 1 -3,-1.4 2,-4.9 -4,-1.2 -2,-0.2 0.984 112.5 61.5 -69.3 -64.4 -0.9 50.5 40.3 262 273 A L S < S+ 0 0 6 -4,-1.9 2,-0.8 -52,-0.1 -1,-0.2 -0.072 78.8 143.4 -60.1 44.8 -4.1 48.8 39.2 263 274 A Q - 0 0 59 -2,-4.9 5,-0.1 -3,-0.3 -3,-0.1 -0.856 50.0-152.8 -98.6 108.5 -5.8 51.9 40.2 264 275 A V S S+ 0 0 65 -2,-0.8 2,-0.5 -22,-0.1 -1,-0.1 0.466 82.5 74.6 -60.0 2.5 -8.7 52.9 37.8 265 276 A D > - 0 0 46 3,-0.3 3,-0.7 1,-0.2 -1,-0.1 -0.950 62.8-165.2-125.1 116.5 -7.9 56.5 38.9 266 277 A L G > S+ 0 0 56 -2,-0.5 2,-2.0 1,-0.3 3,-0.9 0.910 88.9 67.6 -65.5 -35.4 -5.0 58.2 37.6 267 278 A T G 3 S+ 0 0 101 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.1 -0.088 112.6 31.8 -79.2 44.3 -5.2 60.8 40.1 268 279 A K G < S+ 0 0 107 -2,-2.0 2,-0.4 -3,-0.7 -3,-0.3 0.059 90.8 110.5 167.9 54.0 -4.4 58.2 42.7 269 280 A R S X> S- 0 0 0 -3,-0.9 3,-3.1 -5,-0.1 4,-0.6 -0.954 73.5-104.9-144.2 118.8 -2.1 55.7 41.1 270 281 A F T 34 S+ 0 0 26 -10,-0.6 -7,-0.1 -2,-0.4 7,-0.1 -0.172 112.2 37.4 -44.6 144.7 1.5 55.2 41.9 271 282 A G T 34 S+ 0 0 17 5,-1.0 -1,-0.3 2,-0.1 6,-0.2 -0.165 116.3 57.0 99.7 -30.4 3.5 56.7 39.1 272 283 A N T <4 S+ 0 0 31 -3,-3.1 -2,-0.2 -6,-0.2 5,-0.1 0.464 85.0 102.7-104.2 -15.2 1.0 59.6 38.8 273 284 A L S >< S- 0 0 48 -4,-0.6 3,-2.4 3,-0.3 6,-0.1 -0.324 87.8-104.0 -73.6 161.3 1.2 60.8 42.3 274 285 A K T 3 S+ 0 0 199 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 0.758 121.8 56.0 -57.5 -29.1 3.0 63.9 43.4 275 286 A N T > S- 0 0 82 1,-0.3 3,-1.6 2,-0.1 -1,-0.3 0.505 96.1-163.5 -80.7 -5.3 5.9 61.8 44.9 276 287 A G T X - 0 0 20 -3,-2.4 3,-1.1 1,-0.3 -5,-1.0 -0.319 59.7 -8.1 61.6-133.7 6.2 60.3 41.4 277 288 A V T 3> S+ 0 0 29 1,-0.2 4,-3.6 2,-0.2 3,-0.3 0.624 121.9 77.8 -69.4 -20.3 8.2 57.0 41.1 278 289 A N H <> S+ 0 0 30 -3,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.831 84.1 63.7 -67.0 -20.6 9.3 57.3 44.6 279 290 A D H <4 S+ 0 0 29 -3,-1.1 -1,-0.2 2,-0.2 4,-0.2 0.929 117.9 26.5 -61.2 -46.6 5.9 56.1 45.6 280 291 A I H >4 S+ 0 0 2 -4,-0.4 3,-2.9 -3,-0.3 6,-0.3 0.961 116.3 59.6 -77.2 -59.8 6.7 52.8 43.8 281 292 A K H 3< S+ 0 0 27 -4,-3.6 -3,-0.2 1,-0.3 -2,-0.2 0.658 115.6 39.9 -41.6 -23.9 10.4 52.9 44.1 282 293 A N T 3< S+ 0 0 110 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.438 82.0 125.8-107.7 -11.0 9.6 53.0 47.9 283 294 A H S X S- 0 0 4 -3,-2.9 3,-3.4 -4,-0.2 -3,-0.1 -0.306 72.1-115.0 -58.4 135.2 6.8 50.6 48.2 284 295 A K G > S+ 0 0 108 1,-0.3 3,-3.5 2,-0.2 4,-0.2 0.861 111.8 71.2 -35.7 -54.6 7.6 47.9 50.8 285 296 A W G 3 S+ 0 0 8 -32,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.768 96.7 53.6 -35.7 -34.0 7.6 45.2 48.2 286 297 A F G < S+ 0 0 8 -3,-3.4 -1,-0.3 -6,-0.3 -2,-0.2 0.056 75.8 118.5 -92.1 21.3 10.9 46.8 47.1 287 298 A A S < S+ 0 0 80 -3,-3.5 -1,-0.2 1,-0.2 -2,-0.1 0.979 78.9 32.7 -51.2 -66.9 12.3 46.6 50.5 288 299 A T S S+ 0 0 112 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.828 93.8 108.1 -60.6 -41.9 15.2 44.3 49.8 289 300 A T - 0 0 19 -4,-0.3 2,-0.9 1,-0.1 -3,-0.0 -0.241 59.1-148.4 -51.7 125.6 15.9 45.5 46.3 290 301 A D > - 0 0 95 1,-0.1 4,-1.5 -2,-0.1 5,-0.2 -0.812 7.9-152.5 -94.5 105.6 19.0 47.6 45.9 291 302 A W H > S+ 0 0 42 -2,-0.9 4,-0.8 1,-0.2 -1,-0.1 0.547 87.5 47.4 -54.7 -14.4 18.2 50.0 43.1 292 303 A I H > S+ 0 0 87 2,-0.2 4,-6.1 3,-0.2 5,-0.3 0.897 104.0 52.9 -95.7 -53.3 21.9 50.3 41.9 293 304 A A H 4>S+ 0 0 13 2,-0.2 5,-2.7 3,-0.2 6,-0.4 0.963 114.3 47.1 -45.1 -54.9 23.2 46.8 41.8 294 305 A I H ><5S+ 0 0 7 -4,-1.5 3,-3.3 3,-0.3 -1,-0.2 0.954 119.1 40.1 -44.3 -69.4 20.2 46.0 39.5 295 306 A Y H 3<5S+ 0 0 63 -4,-0.8 -2,-0.2 1,-0.3 -1,-0.2 0.928 117.6 46.4 -41.4 -64.6 20.9 49.0 37.6 296 307 A Q T 3<5S- 0 0 100 -4,-6.1 -1,-0.3 1,-0.1 -2,-0.2 0.436 112.2-127.8 -60.2 1.6 24.6 48.4 37.7 297 308 A R T < 5S+ 0 0 79 -3,-3.3 -3,-0.3 -5,-0.3 -2,-0.1 0.922 71.9 130.5 42.2 51.4 23.6 44.9 36.8 298 309 A K < + 0 0 152 -5,-2.7 -4,-0.2 -6,-0.1 2,-0.2 0.487 39.3 99.9-103.8 -13.7 25.6 43.7 39.8 299 310 A V S S- 0 0 48 -6,-0.4 2,-0.5 -5,-0.1 0, 0.0 -0.481 78.5-113.5 -79.6 145.5 23.0 41.6 41.1 300 311 A E - 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