==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 17-SEP-04 1XH6 . COMPND 2 MOLECULE: CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR C.B.BREITENLECHNER,W.-G.FRIEBE,E.BRUNET,G.WERNER,K.GRAUL, . 353 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16061.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 62.0 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 . 48 13.6 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 . 1 0.3 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 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 2 0 1 0 2 0 0 2 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 . 2 2 1 0 1 0 2 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 . 2 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 18 A F > 0 0 102 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -45.7 18.5 12.1 5.0 2 19 A L H > + 0 0 66 1,-0.2 4,-0.9 2,-0.2 0, 0.0 0.724 360.0 54.7 -58.8 -21.9 19.1 15.6 3.6 3 20 A A H > S+ 0 0 87 2,-0.2 4,-0.9 1,-0.2 3,-0.3 0.932 113.2 38.2 -73.8 -49.4 18.6 14.0 0.1 4 21 A K H > S+ 0 0 59 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.794 110.1 65.8 -70.5 -24.7 15.2 12.5 0.9 5 22 A A H X S+ 0 0 6 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.850 97.4 49.1 -72.1 -39.8 14.3 15.6 3.0 6 23 A K H X S+ 0 0 82 -4,-0.9 4,-2.5 -3,-0.3 -1,-0.2 0.845 110.5 53.0 -70.5 -34.0 14.2 18.2 0.2 7 24 A E H X S+ 0 0 124 -4,-0.9 4,-1.5 2,-0.2 -2,-0.2 0.960 112.5 43.4 -64.7 -52.4 12.0 15.9 -1.9 8 25 A D H X S+ 0 0 60 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.901 115.5 49.7 -57.8 -44.0 9.4 15.4 0.9 9 26 A F H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.933 106.8 52.5 -65.9 -47.3 9.5 19.1 1.8 10 27 A L H X S+ 0 0 59 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.845 106.3 55.4 -60.3 -33.5 9.0 20.4 -1.8 11 28 A K H X S+ 0 0 140 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.917 114.6 38.2 -64.1 -44.1 5.9 18.2 -2.2 12 29 A K H < S+ 0 0 83 -4,-1.5 -2,-0.2 68,-0.2 -1,-0.2 0.860 113.8 56.3 -76.2 -34.6 4.3 19.7 0.9 13 30 A W H < S+ 0 0 24 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.901 112.4 42.6 -59.5 -40.2 5.5 23.2 0.1 14 31 A E H < S+ 0 0 128 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.801 127.5 28.7 -83.0 -33.3 3.9 23.0 -3.3 15 32 A N S < S- 0 0 136 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.708 86.3-163.1-123.1 77.5 0.6 21.4 -2.2 16 33 A P - 0 0 33 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.316 23.4-109.8 -63.2 140.6 0.1 22.6 1.4 17 34 A A - 0 0 50 59,-0.1 2,-0.3 -5,-0.1 3,-0.1 -0.483 41.3-171.2 -63.3 136.4 -2.4 20.8 3.7 18 35 A Q + 0 0 94 -2,-0.2 75,-0.1 1,-0.2 315,-0.1 -0.968 51.6 4.3-134.5 144.4 -5.4 22.9 4.5 19 36 A N + 0 0 117 -2,-0.3 74,-0.2 1,-0.1 -1,-0.2 0.908 64.8 158.0 53.4 62.7 -8.4 22.7 6.9 20 37 A T + 0 0 63 72,-2.7 2,-0.2 -3,-0.1 73,-0.2 0.289 61.1 1.9-108.8 9.8 -7.4 19.5 8.8 21 38 A A - 0 0 10 71,-0.5 2,-0.3 70,-0.1 3,-0.0 -0.920 66.9-119.0-165.9-169.6 -9.4 20.0 12.0 22 39 A H > - 0 0 91 -2,-0.2 3,-1.9 71,-0.1 4,-0.1 -0.984 25.3-116.5-142.9 149.7 -12.0 22.4 13.7 23 40 A L G > S+ 0 0 9 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.838 112.4 63.3 -51.7 -39.5 -11.9 24.5 17.0 24 41 A D G 3 S+ 0 0 123 1,-0.3 -1,-0.3 3,-0.0 22,-0.0 0.591 89.1 69.2 -69.2 -10.7 -14.7 22.5 18.5 25 42 A Q G < S+ 0 0 82 -3,-1.9 21,-1.7 21,-0.1 22,-0.5 0.403 97.1 68.1 -81.9 4.0 -12.5 19.3 18.4 26 43 A F E < -A 45 0A 9 -3,-1.9 2,-0.5 19,-0.2 19,-0.2 -0.971 68.4-144.8-132.7 134.3 -10.3 20.9 21.2 27 44 A E E -A 44 0A 98 17,-2.6 17,-2.1 -2,-0.4 2,-0.7 -0.867 26.3-134.7 -90.9 129.4 -10.7 21.8 24.9 28 45 A R E +A 43 0A 94 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.779 33.3 166.2 -91.9 114.5 -8.9 25.0 25.8 29 46 A I E - 0 0 67 13,-2.2 2,-0.3 -2,-0.7 14,-0.2 0.916 52.0 -20.1 -95.6 -54.5 -6.9 24.5 29.0 30 47 A K E -A 42 0A 42 12,-1.0 12,-3.2 282,-0.0 2,-0.4 -0.989 57.9-104.8-161.5 142.7 -4.3 27.2 29.6 31 48 A T E +A 41 0A 0 282,-0.3 282,-0.3 -2,-0.3 10,-0.3 -0.638 27.1 179.4 -74.2 129.9 -2.3 30.0 27.9 32 49 A L E - 0 0 10 8,-3.2 2,-0.3 -2,-0.4 279,-0.2 0.372 66.9 -13.1-104.4 -5.6 1.4 29.0 27.4 33 50 A G E -A 40 0A 11 7,-1.1 7,-2.4 277,-0.1 -1,-0.4 -0.905 58.2-140.2 173.8 155.2 2.4 32.2 25.6 34 51 A T E +A 39 0A 86 5,-0.3 5,-0.3 -2,-0.3 2,-0.3 -0.868 12.1 178.6-127.2 166.4 1.3 35.4 23.9 35 52 A G E > -A 38 0A 48 3,-2.2 3,-0.7 -2,-0.3 -2,-0.0 -0.885 51.2 -80.4-148.9-175.0 2.1 37.6 20.9 36 53 A S T 3 S+ 0 0 96 -2,-0.3 3,-0.0 1,-0.2 21,-0.0 0.812 126.6 30.1 -69.0 -30.6 0.8 40.8 19.3 37 54 A F T 3 S- 0 0 34 24,-0.0 21,-2.6 25,-0.0 2,-0.3 0.320 129.1 -40.4-108.9 6.5 -2.1 39.1 17.4 38 55 A G E < -AB 35 57A 19 -3,-0.7 -3,-2.2 19,-0.2 2,-0.3 -0.918 58.5 -94.1 175.2-138.4 -2.8 36.1 19.7 39 56 A R E -AB 34 56A 30 17,-1.8 17,-2.9 -2,-0.3 2,-0.5 -0.982 20.1-114.2-164.3 163.5 -1.6 33.4 21.9 40 57 A V E -AB 33 55A 29 -7,-2.4 -8,-3.2 -2,-0.3 -7,-1.1 -0.982 36.6-169.3-112.6 129.1 -0.5 29.8 22.2 41 58 A M E -AB 31 54A 6 13,-2.7 13,-3.2 -2,-0.5 -10,-0.3 -0.919 27.0-119.4-119.6 139.9 -2.7 27.6 24.5 42 59 A L E +AB 30 53A 0 -12,-3.2 -13,-2.2 -2,-0.4 -12,-1.0 -0.571 46.1 173.6 -60.9 132.8 -2.5 24.2 25.9 43 60 A V E -AB 28 52A 0 9,-2.4 9,-2.4 -2,-0.3 2,-0.5 -0.971 30.2-134.0-141.4 161.7 -5.4 22.2 24.5 44 61 A K E -AB 27 51A 77 -17,-2.1 -17,-2.6 -2,-0.3 2,-0.8 -0.981 19.5-133.3-118.8 123.8 -6.7 18.6 24.6 45 62 A H E > -A 26 0A 7 5,-3.2 4,-2.3 -2,-0.5 5,-0.4 -0.727 19.3-150.7 -75.0 107.4 -7.9 17.0 21.3 46 63 A M T 4 S+ 0 0 90 -21,-1.7 -1,-0.2 -2,-0.8 -20,-0.1 0.818 87.4 53.5 -55.5 -39.1 -11.1 15.5 22.5 47 64 A E T 4 S+ 0 0 166 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.911 124.4 21.5 -64.1 -49.6 -11.1 12.6 20.0 48 65 A T T 4 S- 0 0 71 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.586 95.5-128.8 -92.9 -13.4 -7.6 11.2 20.8 49 66 A G < + 0 0 31 -4,-2.3 -3,-0.2 1,-0.2 2,-0.1 0.475 60.0 143.9 67.2 5.2 -7.2 12.6 24.3 50 67 A N - 0 0 79 -5,-0.4 -5,-3.2 -6,-0.1 2,-0.3 -0.447 47.4-130.4 -74.3 146.2 -3.8 14.0 23.2 51 68 A H E +B 44 0A 42 -7,-0.2 54,-0.6 -2,-0.1 2,-0.3 -0.751 32.9 169.3 -89.2 147.3 -2.5 17.4 24.4 52 69 A Y E -BC 43 104A 20 -9,-2.4 -9,-2.4 -2,-0.3 2,-0.5 -0.913 36.5-110.6-144.2 169.5 -1.2 19.9 21.9 53 70 A A E -BC 42 103A 8 50,-2.6 50,-3.1 -2,-0.3 2,-0.6 -0.950 32.6-159.4-105.5 122.8 -0.2 23.6 21.8 54 71 A M E -BC 41 102A 0 -13,-3.2 -13,-2.7 -2,-0.5 2,-0.5 -0.912 6.1-155.7-112.9 117.2 -2.5 25.7 19.7 55 72 A K E -BC 40 101A 23 46,-3.1 46,-2.2 -2,-0.6 2,-0.5 -0.774 12.1-167.1 -85.1 125.6 -1.5 29.0 18.3 56 73 A I E -BC 39 100A 6 -17,-2.9 -17,-1.8 -2,-0.5 2,-0.4 -0.979 3.5-170.9-117.6 121.7 -4.5 31.3 17.7 57 74 A L E -BC 38 99A 7 42,-2.6 42,-2.4 -2,-0.5 2,-0.7 -0.948 23.2-129.6-116.0 139.5 -4.1 34.4 15.5 58 75 A D E >> - C 0 98A 42 -21,-2.6 4,-2.3 -2,-0.4 3,-0.6 -0.745 14.8-153.7 -89.3 110.7 -6.6 37.2 15.1 59 76 A K H 3> S+ 0 0 4 38,-2.0 4,-1.9 -2,-0.7 -1,-0.2 0.818 93.5 52.0 -55.7 -43.2 -6.9 37.8 11.3 60 77 A Q H 3> S+ 0 0 94 37,-0.5 4,-1.8 2,-0.2 -1,-0.3 0.889 110.8 47.7 -61.5 -40.3 -8.0 41.4 11.7 61 78 A K H <> S+ 0 0 95 -3,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.906 109.0 53.7 -69.1 -38.9 -4.9 42.2 13.9 62 79 A V H <>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 6,-0.3 0.920 110.4 47.4 -59.3 -46.3 -2.5 40.4 11.5 63 80 A V H ><5S+ 0 0 44 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.886 107.4 57.4 -60.9 -38.5 -3.8 42.6 8.6 64 81 A K H 3<5S+ 0 0 173 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.860 111.2 41.2 -62.5 -37.6 -3.5 45.8 10.8 65 82 A L T 3<5S- 0 0 95 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.304 113.8-118.3 -97.4 11.5 0.2 45.2 11.3 66 83 A K T < 5S+ 0 0 174 -3,-1.4 -3,-0.2 -4,-0.1 4,-0.2 0.907 72.8 132.2 53.4 49.5 0.7 44.1 7.7 67 84 A Q >< + 0 0 11 -5,-2.6 4,-2.5 1,-0.1 5,-0.2 0.088 25.7 113.3-113.7 23.1 1.8 40.6 8.6 68 85 A I H > S+ 0 0 42 -6,-0.3 4,-2.4 2,-0.2 5,-0.2 0.954 80.3 43.1 -62.1 -53.0 -0.3 38.7 6.2 69 86 A E H > S+ 0 0 125 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.908 114.0 51.9 -61.0 -43.7 2.5 37.4 4.0 70 87 A H H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.909 110.9 47.3 -60.3 -42.0 4.6 36.5 7.1 71 88 A T H X S+ 0 0 3 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.885 111.4 50.8 -70.6 -33.5 1.8 34.5 8.7 72 89 A L H X S+ 0 0 12 -4,-2.4 4,-2.2 -5,-0.2 5,-0.3 0.905 111.4 49.8 -65.2 -40.9 1.1 32.7 5.3 73 90 A N H X S+ 0 0 18 -4,-2.7 4,-2.9 -5,-0.2 5,-0.3 0.952 107.4 54.8 -54.4 -52.0 4.9 32.0 5.3 74 91 A E H X S+ 0 0 8 -4,-2.5 4,-2.3 95,-0.3 -2,-0.2 0.894 114.9 36.5 -53.9 -52.7 4.8 30.6 8.9 75 92 A K H X S+ 0 0 5 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.868 116.2 52.4 -72.6 -40.1 2.0 28.0 8.3 76 93 A R H X S+ 0 0 54 -4,-2.2 4,-0.8 -5,-0.2 -2,-0.2 0.930 116.4 40.3 -64.6 -38.4 3.1 27.0 4.8 77 94 A I H >X S+ 0 0 0 -4,-2.9 4,-1.4 -5,-0.3 3,-0.8 0.960 114.8 50.8 -74.1 -44.6 6.7 26.4 6.0 78 95 A L H 3< S+ 0 0 6 -4,-2.3 11,-0.5 -5,-0.3 3,-0.4 0.888 109.1 50.3 -64.5 -40.0 5.7 24.7 9.3 79 96 A Q H 3< S+ 0 0 24 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.737 114.5 47.2 -68.5 -23.1 3.2 22.3 7.6 80 97 A A H << S+ 0 0 0 -4,-0.8 -68,-0.2 -3,-0.8 -1,-0.2 0.670 95.7 82.4 -91.5 -21.0 6.0 21.3 5.1 81 98 A V < - 0 0 16 -4,-1.4 2,-0.3 -3,-0.4 8,-0.2 -0.438 48.1-173.6 -91.5 167.0 9.1 20.7 7.3 82 99 A N + 0 0 89 -2,-0.1 -73,-0.1 6,-0.1 5,-0.1 -0.831 23.6 133.4-162.3 109.2 10.1 17.6 9.3 83 100 A F > - 0 0 17 3,-0.4 3,-1.6 -2,-0.3 53,-0.0 -0.973 60.1-110.7-158.8 150.3 13.1 17.5 11.7 84 101 A P T 3 S+ 0 0 35 0, 0.0 4,-0.1 0, 0.0 78,-0.1 0.748 117.4 42.3 -62.0 -19.6 13.8 16.2 15.3 85 102 A F T 3 S+ 0 0 0 47,-0.1 80,-2.9 79,-0.1 2,-0.5 0.126 95.1 88.3-117.0 16.8 14.2 19.7 16.6 86 103 A L B < S-e 165 0B 7 -3,-1.6 -3,-0.4 78,-0.2 80,-0.1 -0.970 86.7-111.2-110.3 128.4 11.4 21.5 14.8 87 104 A V - 0 0 2 78,-2.2 2,-0.6 -2,-0.5 -2,-0.1 -0.328 37.0-119.4 -52.6 132.7 8.0 21.4 16.6 88 105 A K - 0 0 39 -4,-0.1 16,-2.0 -2,-0.1 2,-0.4 -0.677 15.3-139.5 -87.0 121.5 5.6 19.2 14.6 89 106 A L E +D 103 0A 32 -2,-0.6 14,-0.3 -11,-0.5 3,-0.1 -0.663 23.3 176.2 -70.1 130.1 2.4 20.8 13.2 90 107 A E E + 0 0 92 12,-3.3 2,-0.3 -2,-0.4 13,-0.2 0.801 61.4 1.2-104.3 -45.8 -0.5 18.4 13.6 91 108 A F E -D 102 0A 40 11,-1.9 11,-3.0 2,-0.0 -1,-0.4 -0.983 55.1-169.1-142.9 154.9 -3.5 20.4 12.3 92 109 A S E +D 101 0A 2 -2,-0.3 -72,-2.7 9,-0.2 -71,-0.5 -0.984 19.8 144.4-140.6 147.8 -4.2 23.8 10.9 93 110 A F E -D 100 0A 4 7,-1.9 7,-3.1 -2,-0.3 2,-0.3 -0.960 25.6-145.8-165.0 172.8 -7.6 25.5 10.2 94 111 A K E -D 99 0A 66 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.962 8.1-169.8-142.9 160.9 -9.3 28.9 10.3 95 112 A D - 0 0 29 3,-2.4 230,-0.2 -2,-0.3 -2,-0.0 -0.655 53.3 -65.6-135.0-166.1 -12.7 30.3 11.0 96 113 A N S S+ 0 0 46 225,-0.2 229,-2.4 -2,-0.2 226,-0.1 0.836 130.0 17.4 -54.4 -38.5 -14.5 33.7 10.6 97 114 A S S S+ 0 0 9 224,-0.1 -38,-2.0 227,-0.1 -37,-0.5 0.797 119.1 41.4-104.5 -35.5 -12.2 35.5 13.0 98 115 A N E -C 58 0A 11 -40,-0.2 -3,-2.4 -39,-0.1 2,-0.4 -0.692 55.7-134.3-125.3 160.4 -9.0 33.5 13.6 99 116 A L E -CD 57 94A 0 -42,-2.4 -42,-2.6 -2,-0.2 2,-0.4 -0.920 28.2-158.1-104.3 139.7 -6.2 31.3 12.2 100 117 A Y E -CD 56 93A 0 -7,-3.1 -7,-1.9 -2,-0.4 2,-0.4 -0.981 16.2-178.5-125.1 132.4 -5.3 28.2 14.1 101 118 A M E -CD 55 92A 0 -46,-2.2 -46,-3.1 -2,-0.4 2,-0.6 -0.987 11.8-160.9-122.4 119.1 -2.1 26.1 14.2 102 119 A V E +CD 54 91A 0 -11,-3.0 -12,-3.3 -2,-0.4 -11,-1.9 -0.911 22.1 169.5-104.8 115.5 -2.1 22.9 16.4 103 120 A M E -CD 53 89A 11 -50,-3.1 -50,-2.6 -2,-0.6 -14,-0.2 -0.680 43.1 -71.7-117.0 165.6 1.4 21.7 17.2 104 121 A E E -C 52 0A 80 -16,-2.0 2,-0.5 -2,-0.2 -52,-0.2 -0.291 51.0-120.7 -51.1 139.6 3.1 19.2 19.5 105 122 A Y - 0 0 22 -54,-0.6 -1,-0.1 -53,-0.1 -54,-0.1 -0.830 21.1-157.8 -87.4 127.7 3.0 20.4 23.2 106 123 A V > - 0 0 5 -2,-0.5 3,-1.0 1,-0.1 51,-0.3 -0.892 8.2-169.3-114.6 95.6 6.6 20.7 24.4 107 124 A P T 3 + 0 0 6 0, 0.0 202,-0.3 0, 0.0 51,-0.2 0.548 65.7 80.2 -77.6 -10.4 6.1 20.5 28.2 108 125 A G T 3 S- 0 0 1 49,-1.7 50,-0.1 1,-0.2 192,-0.1 0.479 93.8-124.3 -76.3 -2.4 9.6 21.5 29.4 109 126 A G < - 0 0 0 -3,-1.0 48,-2.3 48,-0.2 -1,-0.2 -0.095 42.3 -45.8 84.1 171.7 9.0 25.2 29.0 110 127 A E B >> -F 156 0B 19 199,-0.4 4,-1.3 46,-0.2 3,-0.6 -0.480 42.9-126.1 -78.1 148.6 11.1 27.7 27.0 111 128 A M H 3> S+ 0 0 0 44,-2.6 4,-3.0 41,-0.7 5,-0.3 0.879 111.0 68.1 -58.3 -36.8 14.9 27.7 27.3 112 129 A F H 3> S+ 0 0 13 40,-1.5 4,-2.5 43,-0.2 5,-0.3 0.895 98.1 48.6 -44.1 -53.3 14.4 31.4 28.1 113 130 A S H <> S+ 0 0 19 -3,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.948 115.4 42.5 -58.7 -50.0 12.8 30.5 31.5 114 131 A H H X S+ 0 0 2 -4,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.857 114.5 51.6 -65.4 -37.4 15.5 28.0 32.5 115 132 A L H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.895 111.4 44.7 -72.2 -43.7 18.3 30.3 31.3 116 133 A R H < S+ 0 0 49 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.930 115.8 48.1 -67.4 -42.8 17.2 33.4 33.2 117 134 A R H < S+ 0 0 156 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.957 118.4 38.7 -62.0 -50.4 16.5 31.5 36.4 118 135 A I H < S- 0 0 89 -4,-2.5 2,-0.7 -5,-0.2 -1,-0.2 0.811 101.4-134.2 -72.4 -27.0 19.8 29.6 36.4 119 136 A G < - 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0 0 49 -2,-0.9 6,-0.1 -3,-0.3 5,-0.1 -0.901 48.1-157.9-107.2 110.4 31.7 38.5 12.1 258 275 A V S S+ 0 0 87 -2,-0.6 2,-0.5 4,-0.1 -67,-0.1 0.894 73.8 85.3 -51.8 -43.3 30.3 41.5 10.3 259 276 A D >> - 0 0 59 1,-0.1 3,-1.7 2,-0.1 4,-1.0 -0.543 66.4-157.2 -72.7 114.8 32.2 40.6 7.0 260 277 A L T 34 S+ 0 0 55 -2,-0.5 -1,-0.1 1,-0.3 6,-0.0 0.745 90.9 60.0 -66.8 -28.1 30.2 38.1 5.0 261 278 A T T 34 S+ 0 0 104 1,-0.2 -1,-0.3 6,-0.0 -2,-0.1 0.603 116.6 36.1 -71.3 -9.9 33.1 36.7 3.1 262 279 A K T <4 S+ 0 0 116 -3,-1.7 2,-0.3 -5,-0.1 -2,-0.2 0.520 86.5 113.0-118.9 -10.5 34.5 35.7 6.5 263 280 A R S >< S- 0 0 0 -4,-1.0 3,-2.1 -6,-0.1 -8,-0.2 -0.490 71.8-113.9 -73.2 125.9 31.5 34.6 8.6 264 281 A F T 3 S+ 0 0 30 -10,-2.5 -7,-0.1 -2,-0.3 7,-0.1 -0.318 104.9 33.0 -54.5 137.0 31.3 30.9 9.6 265 282 A G T 3 S+ 0 0 3 5,-0.7 -1,-0.3 -61,-0.0 6,-0.2 0.183 112.0 68.1 91.9 -13.8 28.4 29.3 7.9 266 283 A N S < S+ 0 0 39 -3,-2.1 -2,-0.2 4,-0.2 -3,-0.1 0.239 77.7 96.6-118.7 7.8 28.8 31.6 4.8 267 284 A L S > S- 0 0 35 3,-0.2 3,-1.5 -4,-0.1 -5,-0.1 -0.350 93.6 -96.3 -91.0 173.1 32.1 30.3 3.5 268 285 A K T 3 S+ 0 0 188 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 0.848 126.9 57.0 -60.6 -34.6 32.4 27.7 0.7 269 286 A N T > S- 0 0 81 1,-0.2 3,-1.5 2,-0.1 -1,-0.3 0.489 91.7-174.6 -76.2 -5.5 32.8 25.0 3.3 270 287 A G T X + 0 0 20 -3,-1.5 3,-1.6 1,-0.3 -5,-0.7 -0.078 59.4 3.6 54.9-134.9 29.4 26.1 4.7 271 288 A V T >> S+ 0 0 18 1,-0.3 4,-2.1 -6,-0.2 3,-1.1 0.695 120.2 71.8 -58.8 -25.3 28.2 24.4 7.9 272 289 A N H <> S+ 0 0 57 -3,-1.5 4,-2.1 1,-0.3 -1,-0.3 0.700 82.1 67.8 -72.9 -22.6 31.3 22.4 8.4 273 290 A D H <4 S+ 0 0 36 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.842 111.6 37.9 -53.5 -37.1 33.4 25.3 9.4 274 291 A I H X4 S+ 0 0 0 -3,-1.1 3,-1.4 -4,-0.4 6,-0.3 0.905 115.0 51.6 -80.0 -47.4 31.2 25.3 12.4 275 292 A K H 3< S+ 0 0 32 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.809 114.3 43.2 -62.7 -31.5 30.9 21.5 12.9 276 293 A N T 3< S+ 0 0 121 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.1 0.346 84.8 120.4-102.1 8.6 34.6 20.9 12.8 277 294 A H S X S- 0 0 15 -3,-1.4 3,-1.6 1,-0.1 -3,-0.1 -0.443 75.9-115.7 -68.6 145.0 35.5 23.8 15.0 278 295 A K G > S+ 0 0 107 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.773 112.0 67.7 -52.8 -32.1 37.4 22.8 18.2 279 296 A W G 3 S+ 0 0 2 -32,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.884 104.8 44.3 -56.8 -33.6 34.6 24.1 20.4 280 297 A F G X S+ 0 0 3 -3,-1.6 3,-2.1 -6,-0.3 -1,-0.3 0.160 77.1 115.9 -94.3 19.8 32.5 21.2 19.0 281 298 A A T < S+ 0 0 87 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.777 78.0 49.5 -65.4 -23.7 35.2 18.6 19.3 282 299 A T T 3 S+ 0 0 115 -3,-0.4 2,-0.6 -4,-0.2 -1,-0.3 0.416 90.2 105.7 -90.4 -1.5 33.2 16.6 21.9 283 300 A T < - 0 0 22 -3,-2.1 2,-0.9 -8,-0.1 3,-0.1 -0.737 54.7-160.7 -90.0 117.2 30.1 16.7 19.7 284 301 A D > - 0 0 90 -2,-0.6 4,-2.1 1,-0.2 5,-0.2 -0.856 12.1-163.8 -92.2 105.3 29.0 13.5 17.9 285 302 A W H > S+ 0 0 33 -2,-0.9 4,-2.2 1,-0.3 -1,-0.2 0.871 84.6 48.5 -67.5 -40.3 26.8 15.1 15.3 286 303 A I H > S+ 0 0 107 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.902 110.4 53.2 -65.7 -37.6 25.0 12.0 14.2 287 304 A A H 4>S+ 0 0 7 2,-0.2 5,-3.0 1,-0.2 6,-0.8 0.880 108.9 48.5 -67.6 -34.1 24.3 11.1 17.9 288 305 A I H ><5S+ 0 0 7 -4,-2.1 3,-1.6 3,-0.2 -1,-0.2 0.955 112.1 50.3 -64.1 -44.9 22.8 14.5 18.5 289 306 A Y H 3<5S+ 0 0 66 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.920 113.6 43.9 -58.9 -45.5 20.6 14.1 15.3 290 307 A Q T 3<5S- 0 0 107 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.400 111.9-122.3 -83.2 4.4 19.5 10.6 16.5 291 308 A R T < 5S+ 0 0 45 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.830 71.5 132.3 57.1 39.9 18.9 12.0 20.0 292 309 A K < + 0 0 124 -5,-3.0 2,-0.3 -6,-0.2 -4,-0.2 0.585 40.6 97.1 -95.8 -7.3 21.3 9.4 21.5 293 310 A V S S- 0 0 50 -6,-0.8 2,-0.5 -9,-0.1 0, 0.0 -0.604 82.4-115.5 -84.6 139.4 23.2 11.9 23.7 294 311 A E - 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