==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-JUL-09 3IDB . COMPND 2 MOLECULE: CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR S.H.J.BROWN,J.WU,C.KIM,K.ALBERTO,S.S.TAYLOR . 492 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 316 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 16.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 34 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 4 1 1 0 1 0 3 1 0 2 0 1 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 4 1 1 3 1 3 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 . 2 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 8 A K >> 0 0 185 0, 0.0 3,-1.4 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0 -51.4 29.8 -5.2 13.2 2 9 A G H >> + 0 0 12 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.912 360.0 45.3 -49.6 -46.8 33.3 -3.7 13.2 3 10 A S H 34 S+ 0 0 29 1,-0.2 -1,-0.3 279,-0.2 283,-0.1 0.621 108.4 59.0 -73.5 -13.1 33.8 -4.7 9.6 4 11 A E H <4 S+ 0 0 163 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.487 86.6 77.8 -94.1 -4.4 30.3 -3.4 8.7 5 12 A Q H << S+ 0 0 63 -3,-1.1 2,-0.4 -4,-0.7 -2,-0.1 0.945 99.6 32.6 -68.3 -50.0 31.0 0.2 9.9 6 13 A E S < S- 0 0 41 -4,-0.5 2,-0.7 -3,-0.0 -1,-0.2 -0.908 70.7-141.9-116.6 137.4 33.0 1.2 6.8 7 14 A S + 0 0 117 -2,-0.4 4,-0.2 1,-0.1 -3,-0.1 -0.865 28.4 163.4 -97.0 114.3 32.6 0.2 3.2 8 15 A V > + 0 0 28 -2,-0.7 4,-2.8 2,-0.1 5,-0.3 0.361 42.3 102.8-113.2 4.5 36.0 -0.2 1.6 9 16 A K H > S+ 0 0 83 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.951 90.5 33.3 -53.0 -61.3 35.2 -2.2 -1.5 10 17 A E H > S+ 0 0 151 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.838 116.2 58.9 -68.5 -30.3 35.3 0.5 -4.1 11 18 A F H > S+ 0 0 70 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.949 107.8 44.5 -62.6 -48.7 38.0 2.4 -2.2 12 19 A L H X S+ 0 0 32 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.817 111.4 55.5 -65.1 -30.8 40.4 -0.6 -2.4 13 20 A A H X S+ 0 0 62 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.2 0.925 113.3 39.4 -67.9 -45.1 39.5 -1.1 -6.1 14 21 A K H X S+ 0 0 120 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.885 112.7 56.0 -71.7 -38.3 40.4 2.5 -7.0 15 22 A A H X S+ 0 0 14 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.858 107.5 50.8 -61.0 -34.9 43.5 2.4 -4.7 16 23 A K H X S+ 0 0 68 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.924 109.5 49.2 -68.5 -45.1 44.7 -0.6 -6.6 17 24 A E H X S+ 0 0 125 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.944 113.8 46.0 -59.0 -48.5 44.2 1.1 -10.0 18 25 A D H X S+ 0 0 78 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.892 112.5 51.0 -63.1 -41.0 46.1 4.2 -8.8 19 26 A F H X S+ 0 0 0 -4,-2.3 4,-3.3 -5,-0.2 5,-0.2 0.956 109.4 48.8 -61.9 -52.0 48.9 2.1 -7.3 20 27 A L H X S+ 0 0 64 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.901 110.9 51.8 -55.1 -43.0 49.5 0.0 -10.4 21 28 A K H < S+ 0 0 41 -4,-2.0 4,-0.4 -5,-0.2 -1,-0.2 0.931 115.9 39.5 -61.0 -45.9 49.6 3.2 -12.5 22 29 A K H >< S+ 0 0 69 -4,-2.1 3,-0.9 68,-0.2 -2,-0.2 0.861 109.1 60.7 -73.1 -36.1 52.2 4.8 -10.3 23 30 A W H 3< S+ 0 0 79 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.881 108.0 44.8 -58.5 -39.8 54.2 1.6 -9.7 24 31 A E T 3< S+ 0 0 130 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.572 116.5 49.2 -81.0 -11.4 54.9 1.3 -13.4 25 32 A T < + 0 0 91 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.1 -0.347 69.8 166.9-127.7 56.5 55.7 5.0 -13.7 26 33 A P - 0 0 28 0, 0.0 2,-0.2 0, 0.0 60,-0.1 -0.354 33.8-123.2 -68.7 150.4 58.2 6.1 -11.0 27 34 A S - 0 0 58 59,-0.0 2,-0.4 -2,-0.0 3,-0.2 -0.611 21.3-144.4 -90.4 156.0 59.9 9.4 -11.4 28 35 A Q - 0 0 111 -2,-0.2 75,-0.1 1,-0.2 315,-0.1 -0.961 68.2 -5.6-123.6 142.2 63.7 9.7 -11.5 29 36 A N + 0 0 88 -2,-0.4 74,-0.2 314,-0.3 -1,-0.2 0.900 65.0 165.9 41.5 62.2 65.9 12.5 -10.1 30 37 A T S S+ 0 0 57 72,-2.1 2,-0.3 -3,-0.2 73,-0.2 0.350 70.4 6.9 -84.8 5.2 63.0 14.8 -9.1 31 38 A A S S- 0 0 9 71,-0.5 2,-0.3 70,-0.0 3,-0.0 -0.947 73.3-128.7-168.4 174.3 65.6 16.8 -7.0 32 39 A Q > - 0 0 98 -2,-0.3 3,-1.8 71,-0.1 4,-0.1 -0.949 28.6-106.5-137.9 160.6 69.3 17.0 -6.4 33 40 A L G > S+ 0 0 26 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.866 112.8 59.8 -54.1 -44.1 71.6 17.0 -3.3 34 41 A D G 3 S+ 0 0 104 1,-0.3 -1,-0.3 3,-0.0 3,-0.0 0.431 91.1 71.4 -69.3 3.8 72.5 20.7 -3.5 35 42 A Q G < S+ 0 0 69 -3,-1.8 21,-2.4 21,-0.1 22,-0.4 0.414 95.5 63.4 -96.9 1.8 68.8 21.7 -3.2 36 43 A F E < S-A 55 0A 4 -3,-1.9 2,-0.6 19,-0.2 19,-0.2 -0.967 70.3-142.4-130.3 142.4 68.8 20.6 0.5 37 44 A D E -A 54 0A 63 17,-2.6 17,-2.2 -2,-0.4 2,-0.6 -0.900 25.9-134.3 -99.1 124.7 70.7 21.7 3.6 38 45 A R E +A 53 0A 102 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.719 31.6 169.7 -82.6 120.3 71.6 18.7 5.8 39 46 A I E - 0 0 78 13,-2.5 2,-0.3 -2,-0.6 14,-0.2 0.912 52.1 -28.0 -96.3 -56.7 70.7 19.5 9.4 40 47 A K E -A 52 0A 55 12,-1.2 12,-4.0 285,-0.0 2,-0.4 -0.994 57.5 -97.8-163.3 156.3 71.1 16.4 11.5 41 48 A T E -A 51 0A 2 -2,-0.3 282,-0.3 282,-0.3 10,-0.3 -0.639 25.0-176.5 -80.8 131.1 70.9 12.6 11.5 42 49 A L E - 0 0 8 8,-3.3 279,-0.3 1,-0.4 2,-0.3 0.650 69.7 -18.4 -98.5 -22.7 67.6 11.1 12.7 43 50 A G E -A 50 0A 9 7,-1.4 7,-3.3 277,-0.1 -1,-0.4 -0.921 60.4-132.7-178.0 154.3 68.7 7.5 12.5 44 51 A T E +A 49 0A 58 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.858 20.4 176.6-120.8 156.2 71.3 5.2 10.9 45 52 A G - 0 0 50 3,-4.4 3,-0.4 -2,-0.3 303,-0.0 -0.819 48.0 -81.5-143.2-177.7 71.2 1.9 9.0 46 53 A S S S+ 0 0 71 -2,-0.2 3,-0.1 1,-0.2 21,-0.0 0.822 126.7 38.9 -61.5 -35.0 73.4 -0.6 7.2 47 54 A F S S- 0 0 27 1,-0.1 21,-2.7 24,-0.0 2,-0.3 0.597 131.7 -70.2 -92.1 -12.3 73.5 1.4 3.9 48 55 A G - 0 0 23 -3,-0.4 -3,-4.4 19,-0.2 2,-0.3 -0.955 62.5 -71.1 160.5-138.8 73.7 4.8 5.5 49 56 A R E -A 44 0A 57 17,-0.4 17,-3.1 -2,-0.3 2,-0.5 -0.872 27.1-109.8-145.9 178.2 71.3 7.0 7.5 50 57 A V E -AB 43 65A 35 -7,-3.3 -8,-3.3 -2,-0.3 -7,-1.4 -0.969 36.5-166.8-114.6 125.0 68.3 9.2 7.5 51 58 A M E -AB 41 64A 9 13,-2.7 13,-3.3 -2,-0.5 2,-0.4 -0.879 24.8-120.8-117.2 148.6 68.9 12.9 7.9 52 59 A L E +AB 40 63A 0 -12,-4.0 -13,-2.5 -2,-0.3 -12,-1.2 -0.714 44.7 179.4 -80.5 132.3 66.6 15.8 8.7 53 60 A V E -AB 38 62A 0 9,-3.0 9,-2.7 -2,-0.4 2,-0.5 -0.940 26.7-135.9-136.7 158.9 67.0 18.2 5.7 54 61 A K E -AB 37 61A 81 -17,-2.2 -17,-2.6 -2,-0.3 2,-0.7 -0.969 21.1-129.6-118.1 127.1 65.7 21.6 4.6 55 62 A H E > -A 36 0A 27 5,-3.2 4,-3.1 -2,-0.5 -19,-0.2 -0.661 21.1-144.8 -74.8 114.9 64.6 22.2 1.1 56 63 A K T 4 S+ 0 0 111 -21,-2.4 -1,-0.2 -2,-0.7 -20,-0.1 0.772 91.0 41.9 -53.1 -36.2 66.5 25.4 0.2 57 64 A E T 4 S+ 0 0 93 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.894 127.1 27.7 -82.6 -42.1 63.8 26.9 -2.1 58 65 A S T 4 S- 0 0 58 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.719 92.2-135.7 -91.7 -24.9 60.6 26.1 -0.1 59 66 A G < + 0 0 35 -4,-3.1 -3,-0.1 1,-0.3 2,-0.1 0.449 55.1 143.3 82.1 -0.8 62.1 26.0 3.4 60 67 A N - 0 0 88 -5,-0.2 -5,-3.2 -6,-0.1 2,-0.3 -0.436 48.2-125.8 -74.1 148.2 60.2 22.8 4.1 61 68 A H E +B 54 0A 41 -7,-0.2 54,-0.7 -2,-0.1 2,-0.3 -0.705 32.6 172.6 -94.6 145.3 61.9 20.1 6.3 62 69 A Y E -BC 53 114A 25 -9,-2.7 -9,-3.0 -2,-0.3 2,-0.6 -0.914 33.8-116.6-143.6 168.5 62.1 16.5 5.1 63 70 A A E -BC 52 113A 9 50,-2.9 50,-3.6 -2,-0.3 2,-0.6 -0.962 30.2-160.7-112.6 119.6 63.8 13.2 6.1 64 71 A M E -BC 51 112A 0 -13,-3.3 -13,-2.7 -2,-0.6 2,-0.5 -0.897 5.0-155.6-108.6 117.8 66.3 12.0 3.6 65 72 A K E -BC 50 111A 36 46,-3.1 46,-2.3 -2,-0.6 2,-0.5 -0.795 12.1-158.8 -90.8 126.1 67.4 8.4 3.6 66 73 A I E - C 0 110A 10 -17,-3.1 2,-0.5 -2,-0.5 -17,-0.4 -0.922 6.7-169.6-110.0 126.6 70.8 8.0 2.0 67 74 A L E - C 0 109A 0 42,-2.8 42,-2.2 -2,-0.5 2,-0.6 -0.952 19.6-136.4-121.8 115.6 71.9 4.6 0.6 68 75 A D E > - C 0 108A 52 -21,-2.7 4,-2.6 -2,-0.5 3,-0.3 -0.546 13.8-149.6 -68.4 113.3 75.5 3.9 -0.4 69 76 A K H > S+ 0 0 4 38,-2.2 4,-2.4 -2,-0.6 5,-0.2 0.877 94.5 50.8 -53.4 -44.7 75.3 2.1 -3.7 70 77 A Q H > S+ 0 0 95 37,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.882 111.7 48.9 -62.9 -36.9 78.5 0.1 -3.2 71 78 A K H > S+ 0 0 75 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.924 109.1 52.3 -67.9 -44.1 77.2 -1.0 0.3 72 79 A V H <>S+ 0 0 0 -4,-2.6 5,-2.9 1,-0.2 6,-0.3 0.922 112.3 46.1 -58.2 -43.7 73.8 -2.0 -1.1 73 80 A V H ><5S+ 0 0 48 -4,-2.4 3,-1.3 3,-0.2 -1,-0.2 0.923 112.1 50.9 -65.8 -42.9 75.6 -4.2 -3.8 74 81 A K H 3<5S+ 0 0 150 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.896 111.8 46.0 -61.6 -42.3 78.0 -5.7 -1.2 75 82 A L T 3<5S- 0 0 67 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.357 113.8-120.9 -82.5 5.5 75.1 -6.7 1.2 76 83 A K T < 5S+ 0 0 138 -3,-1.3 278,-0.3 -5,-0.2 -3,-0.2 0.877 73.0 129.9 57.0 45.1 73.2 -8.0 -1.9 77 84 A Q >< + 0 0 16 -5,-2.9 4,-2.4 -6,-0.2 5,-0.2 0.054 22.9 116.0-115.6 24.6 70.2 -5.7 -1.4 78 85 A I H > S+ 0 0 43 -6,-0.3 4,-2.4 2,-0.2 5,-0.2 0.962 79.9 44.1 -57.8 -56.3 69.9 -4.3 -4.9 79 86 A E H > S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.916 114.7 49.6 -56.3 -46.2 66.5 -5.8 -5.6 80 87 A H H > S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.890 111.0 49.6 -60.8 -41.3 65.1 -4.8 -2.2 81 88 A T H X S+ 0 0 2 -4,-2.4 4,-1.9 2,-0.2 5,-0.2 0.903 111.2 48.4 -66.9 -41.1 66.3 -1.2 -2.5 82 89 A L H X S+ 0 0 27 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.920 113.7 48.1 -65.8 -38.9 64.8 -0.8 -6.0 83 90 A N H X S+ 0 0 29 -4,-2.5 4,-2.8 -5,-0.2 5,-0.4 0.898 106.1 58.5 -65.4 -41.9 61.5 -2.3 -4.6 84 91 A E H X S+ 0 0 6 -4,-2.6 4,-2.3 95,-0.3 5,-0.2 0.956 113.6 36.5 -53.1 -54.3 61.6 0.0 -1.6 85 92 A K H X S+ 0 0 5 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.927 117.3 50.4 -68.8 -44.3 61.7 3.2 -3.7 86 93 A R H X S+ 0 0 37 -4,-2.5 4,-0.5 -5,-0.2 -2,-0.2 0.891 117.1 40.5 -63.1 -38.5 59.4 2.0 -6.5 87 94 A I H >X S+ 0 0 1 -4,-2.8 4,-1.3 -5,-0.2 3,-1.0 0.933 112.6 52.5 -76.4 -46.0 56.7 0.8 -4.0 88 95 A L H 3< S+ 0 0 5 -4,-2.3 11,-0.4 -5,-0.4 3,-0.4 0.886 108.5 51.5 -58.9 -37.9 56.9 3.7 -1.6 89 96 A Q H 3< S+ 0 0 27 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.725 112.0 49.1 -71.0 -19.5 56.5 6.2 -4.4 90 97 A A H << S+ 0 0 0 -3,-1.0 -68,-0.2 -4,-0.5 -1,-0.2 0.631 94.9 83.7 -95.6 -17.1 53.4 4.4 -5.6 91 98 A V < - 0 0 19 -4,-1.3 2,-0.3 -3,-0.4 59,-0.0 -0.507 49.8-173.9 -90.7 159.2 51.4 3.9 -2.3 92 99 A N + 0 0 90 -2,-0.2 5,-0.1 6,-0.1 -73,-0.1 -0.872 22.3 134.8-153.3 113.5 49.1 6.4 -0.6 93 100 A F > - 0 0 9 3,-0.3 3,-2.0 -2,-0.3 53,-0.0 -0.973 59.6-111.4-157.9 147.9 47.5 5.9 2.8 94 101 A P T 3 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 48,-0.0 0.769 117.3 44.0 -53.0 -28.2 46.9 8.1 5.9 95 102 A F T 3 S+ 0 0 0 47,-0.1 80,-3.0 79,-0.1 2,-0.4 0.193 94.6 90.4-107.0 17.4 49.4 6.0 7.9 96 103 A L B < S-e 175 0B 3 -3,-2.0 -3,-0.3 78,-0.3 80,-0.1 -0.941 80.4-115.2-113.6 132.9 52.2 5.6 5.3 97 104 A V - 0 0 4 78,-2.4 2,-0.4 -2,-0.4 -2,-0.1 -0.358 35.0-121.7 -63.5 145.0 55.1 8.1 5.1 98 105 A K - 0 0 81 -6,-0.1 16,-2.3 -9,-0.0 2,-0.6 -0.729 8.7-137.9 -95.0 138.6 55.1 10.0 1.9 99 106 A L E +D 113 0A 31 -11,-0.4 14,-0.3 -2,-0.4 3,-0.1 -0.846 24.0 176.7 -92.2 119.7 58.0 10.0 -0.5 100 107 A E E - 0 0 79 12,-2.9 2,-0.3 -2,-0.6 13,-0.2 0.848 60.6 -5.4 -92.9 -41.4 58.5 13.5 -1.8 101 108 A F E -D 112 0A 47 11,-1.8 11,-3.1 2,-0.0 -1,-0.3 -0.961 55.4-170.2-148.4 165.3 61.6 13.3 -4.0 102 109 A S E +D 111 0A 2 -2,-0.3 -72,-2.1 9,-0.2 -71,-0.5 -0.978 15.4 149.9-156.7 148.8 64.2 10.8 -5.0 103 110 A F E -D 110 0A 5 7,-1.7 7,-2.6 -2,-0.3 2,-0.3 -0.965 23.1-143.8-167.3 172.6 67.5 11.0 -6.9 104 111 A K E -D 109 0A 51 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.966 9.8-173.5-146.0 158.8 70.9 9.4 -7.1 105 112 A D - 0 0 35 3,-2.2 230,-0.2 -2,-0.3 226,-0.0 -0.685 55.1 -63.8-136.4-167.4 74.5 10.5 -7.8 106 113 A N S S+ 0 0 50 225,-0.2 229,-2.8 -2,-0.2 226,-0.1 0.812 130.2 20.8 -54.6 -31.8 77.8 8.8 -8.4 107 114 A S S S+ 0 0 8 227,-0.1 -38,-2.2 224,-0.1 -37,-0.5 0.833 117.9 32.7-108.0 -41.0 77.8 7.3 -4.8 108 115 A N E -C 68 0A 12 -40,-0.2 -3,-2.2 -39,-0.1 2,-0.4 -0.718 54.7-132.3-124.6 170.9 74.4 7.2 -3.3 109 116 A L E -CD 67 104A 0 -42,-2.2 -42,-2.8 -2,-0.2 2,-0.4 -0.877 29.9-155.7-110.7 144.9 70.7 6.7 -3.7 110 117 A Y E -CD 66 103A 0 -7,-2.6 -7,-1.7 -2,-0.4 2,-0.5 -0.991 15.4-173.8-133.0 130.3 68.4 9.3 -2.0 111 118 A M E -CD 65 102A 1 -46,-2.3 -46,-3.1 -2,-0.4 2,-0.8 -0.974 11.5-160.0-121.3 114.2 64.8 9.0 -0.8 112 119 A V E +CD 64 101A 0 -11,-3.1 -12,-2.9 -2,-0.5 -11,-1.8 -0.851 18.8 178.4 -99.3 109.2 63.4 12.3 0.5 113 120 A M E -CD 63 99A 9 -50,-3.6 -50,-2.9 -2,-0.8 -14,-0.2 -0.623 39.8 -85.2-105.5 165.0 60.3 11.6 2.7 114 121 A E E -C 62 0A 55 -16,-2.3 2,-0.5 -52,-0.2 -52,-0.2 -0.425 54.0-111.5 -64.5 144.2 58.0 13.9 4.7 115 122 A Y - 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0 0 39 -2,-0.3 3,-2.1 -22,-0.2 4,-0.3 -0.541 60.8 -49.0-135.3-160.6 52.7 -14.7 2.2 210 217 A K T >> S+ 0 0 62 1,-0.3 3,-1.3 -2,-0.2 4,-1.0 0.603 113.6 85.2 -55.4 -14.8 51.0 -11.6 3.8 211 218 A A H 3> S+ 0 0 0 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.761 77.5 66.7 -62.0 -24.0 50.3 -13.7 6.8 212 219 A V H <> S+ 0 0 5 -3,-2.1 4,-2.2 1,-0.2 -1,-0.3 0.825 96.5 54.9 -67.3 -29.1 53.7 -12.9 8.1 213 220 A D H <> S+ 0 0 2 -3,-1.3 4,-1.8 -4,-0.3 -1,-0.2 0.898 107.0 49.7 -69.8 -38.7 52.6 -9.2 8.5 214 221 A W H X S+ 0 0 3 -4,-1.0 4,-1.6 2,-0.2 -2,-0.2 0.859 109.6 51.6 -67.8 -34.3 49.6 -10.3 10.7 215 222 A W H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 3,-0.3 0.946 108.5 51.4 -63.9 -47.6 52.0 -12.4 12.8 216 223 A A H X S+ 0 0 6 -4,-2.2 4,-2.8 1,-0.3 -2,-0.2 0.847 105.0 56.3 -58.4 -35.9 54.2 -9.3 13.2 217 224 A L H X S+ 0 0 0 -4,-1.8 4,-3.1 1,-0.2 -1,-0.3 0.902 104.7 52.8 -63.4 -38.8 51.2 -7.3 14.3 218 225 A G H X S+ 0 0 0 -4,-1.6 4,-2.1 -3,-0.3 -2,-0.2 0.909 110.3 47.5 -62.4 -39.9 50.6 -9.8 17.0 219 226 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.923 112.9 49.7 -66.3 -42.7 54.2 -9.3 18.1 220 227 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.923 110.6 47.8 -61.4 -48.7 53.7 -5.5 18.0 221 228 A I H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 5,-0.2 0.932 113.2 49.1 -59.5 -45.5 50.5 -5.5 20.0 222 229 A Y H X S+ 0 0 7 -4,-2.1 4,-3.0 -5,-0.2 5,-0.4 0.946 112.9 46.8 -58.6 -49.9 52.1 -7.8 22.6 223 230 A E H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.897 112.1 50.5 -61.7 -40.4 55.2 -5.6 22.8 224 231 A M H < S+ 0 0 0 -4,-2.8 -93,-3.2 1,-0.2 -1,-0.2 0.907 119.0 37.1 -64.2 -40.9 53.1 -2.4 23.1 225 232 A A H < S+ 0 0 1 -4,-2.4 -2,-0.2 -95,-0.2 -1,-0.2 0.772 127.6 34.0 -83.2 -28.7 51.0 -3.8 25.9 226 233 A A H < S- 0 0 7 -4,-3.0 -3,-0.2 2,-0.2 -2,-0.2 0.787 98.3-125.3 -96.2 -33.3 53.7 -5.8 27.7 227 234 A G S < S+ 0 0 17 -4,-2.6 -4,-0.2 -5,-0.4 -3,-0.1 0.300 88.2 55.8 102.8 -8.5 56.7 -3.5 27.2 228 235 A Y S S- 0 0 114 -6,-0.3 -2,-0.2 -5,-0.0 -1,-0.2 -0.966 93.5 -93.6-148.5 156.1 58.8 -6.4 25.7 229 236 A P - 0 0 5 0, 0.0 3,-0.1 0, 0.0 -9,-0.1 -0.348 31.5-118.0 -73.7 157.3 58.2 -8.8 22.8 230 237 A P S S+ 0 0 17 0, 0.0 2,-0.6 0, 0.0 19,-0.3 0.766 105.5 45.6 -63.9 -29.4 56.7 -12.3 23.3 231 238 A F S S+ 0 0 1 -35,-0.3 2,-0.4 17,-0.1 8,-0.1 -0.919 78.9 154.4-121.0 101.8 59.7 -14.1 22.1 232 239 A F + 0 0 104 -2,-0.6 2,-0.3 -3,-0.1 -4,-0.0 -0.989 7.5 146.4-136.3 143.1 62.9 -12.7 23.6 233 240 A A - 0 0 18 -2,-0.4 6,-0.1 1,-0.0 -2,-0.0 -0.959 53.9-108.4-161.5 158.9 66.4 -14.0 24.5 234 241 A D S S+ 0 0 142 -2,-0.3 -1,-0.0 4,-0.1 -2,-0.0 0.665 104.2 51.9 -70.5 -15.4 69.9 -12.5 24.5 235 242 A Q S > S- 0 0 87 1,-0.1 4,-1.5 -3,-0.0 3,-0.3 -0.959 82.2-128.2-124.0 143.8 70.9 -14.5 21.4 236 243 A P H > S+ 0 0 43 0, 0.0 4,-2.8 0, 0.0 3,-0.2 0.892 106.2 55.6 -53.5 -49.2 69.1 -14.7 18.0 237 244 A I H > S+ 0 0 13 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.902 107.5 50.3 -54.2 -42.5 69.0 -18.5 17.8 238 245 A Q H > S+ 0 0 63 -3,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.872 109.4 52.0 -64.0 -35.8 67.2 -18.6 21.2 239 246 A I H X S+ 0 0 8 -4,-1.5 4,-2.2 -3,-0.2 -2,-0.2 0.960 111.7 46.4 -62.8 -50.1 64.7 -16.0 19.9 240 247 A Y H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.865 108.4 55.1 -61.7 -37.6 64.1 -18.1 16.8 241 248 A E H X S+ 0 0 75 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.921 110.5 46.7 -62.0 -42.2 63.7 -21.3 18.9 242 249 A K H X S+ 0 0 102 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.880 111.4 51.2 -66.2 -39.6 61.0 -19.6 21.0 243 250 A I H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.953 109.6 48.9 -63.2 -49.5 59.2 -18.3 17.9 244 251 A V H < S+ 0 0 28 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.829 111.5 49.9 -60.8 -32.9 59.1 -21.7 16.2 245 252 A S H < S- 0 0 67 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.898 90.2-159.5 -71.9 -39.3 57.7 -23.2 19.4 246 253 A G < + 0 0 13 -4,-2.2 2,-0.3 1,-0.3 -3,-0.1 0.299 35.3 148.4 78.5 -12.2 55.1 -20.5 19.5 247 254 A K - 0 0 167 -5,-0.2 2,-0.4 1,-0.0 -1,-0.3 -0.414 27.7-172.0 -59.4 116.1 54.6 -21.0 23.3 248 255 A V - 0 0 34 -2,-0.3 2,-0.5 -3,-0.1 -17,-0.1 -0.901 17.7-153.4-116.7 143.9 53.7 -17.6 24.5 249 256 A R - 0 0 75 -2,-0.4 -2,-0.0 -19,-0.3 0, 0.0 -0.964 14.3-149.3-115.0 129.5 53.3 -16.4 28.1 250 257 A F - 0 0 41 -2,-0.5 9,-0.0 1,-0.1 -28,-0.0 -0.808 22.1-108.9-102.9 139.8 51.0 -13.4 28.7 251 258 A P > - 0 0 16 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.272 31.8-115.9 -59.2 151.3 51.4 -10.8 31.5 252 259 A S T 3 S+ 0 0 127 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.761 113.3 61.5 -62.5 -22.9 48.8 -11.2 34.2 253 260 A H T 3 S+ 0 0 74 2,-0.0 -1,-0.3 -27,-0.0 2,-0.2 0.536 76.2 111.2 -83.1 -5.4 47.5 -7.7 33.4 254 261 A F S < S- 0 0 6 -3,-1.7 -4,-0.1 1,-0.1 -28,-0.0 -0.512 72.6-119.7 -69.1 132.3 46.5 -8.7 29.8 255 262 A S > - 0 0 39 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.273 20.8-112.3 -68.5 158.8 42.7 -8.7 29.3 256 263 A S H > S+ 0 0 92 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.882 119.1 52.1 -59.5 -38.8 41.0 -11.9 28.2 257 264 A D H > S+ 0 0 65 2,-0.2 4,-2.6 1,-0.2 32,-0.3 0.907 108.2 50.2 -65.2 -41.7 40.2 -10.3 24.9 258 265 A L H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.939 110.3 49.8 -62.4 -46.5 43.8 -9.3 24.3 259 266 A K H X S+ 0 0 58 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.913 111.3 49.6 -58.8 -42.0 45.1 -12.8 25.0 260 267 A D H X S+ 0 0 72 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.939 111.2 48.5 -63.9 -45.3 42.5 -14.3 22.6 261 268 A L H >X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 3,-0.5 0.953 113.2 48.1 -59.2 -47.9 43.5 -11.9 19.9 262 269 A L H 3X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.851 105.8 56.6 -63.3 -35.0 47.1 -12.6 20.4 263 270 A R H 3< S+ 0 0 124 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.837 111.8 45.0 -65.7 -29.0 46.7 -16.3 20.4 264 271 A N H << S+ 0 0 39 -4,-1.5 10,-2.2 -3,-0.5 3,-0.5 0.770 117.3 41.9 -85.8 -25.8 45.1 -16.0 17.0 265 272 A L H < S+ 0 0 0 -4,-1.7 2,-0.2 8,-0.2 -2,-0.2 0.870 114.1 51.3 -85.5 -39.0 47.6 -13.6 15.5 266 273 A L S < S+ 0 0 8 -4,-3.1 2,-0.6 -5,-0.2 -1,-0.2 -0.114 79.1 141.6 -88.9 36.8 50.6 -15.5 17.0 267 274 A Q - 0 0 50 -3,-0.5 6,-0.1 -2,-0.2 5,-0.1 -0.719 45.5-152.7 -81.2 118.9 49.3 -18.8 15.6 268 275 A V S S+ 0 0 60 -2,-0.6 2,-1.0 -23,-0.1 -1,-0.2 0.812 84.3 74.1 -62.9 -30.6 52.3 -20.8 14.3 269 276 A D S >> S- 0 0 56 1,-0.2 3,-2.5 -69,-0.1 4,-0.5 -0.762 75.0-157.8 -86.5 103.4 50.1 -22.5 11.8 270 277 A L T 34 S+ 0 0 44 -2,-1.0 3,-0.4 1,-0.3 -1,-0.2 0.708 87.9 64.6 -55.0 -23.0 49.6 -19.7 9.2 271 278 A T T 34 S+ 0 0 79 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.623 108.0 40.3 -77.3 -12.3 46.4 -21.4 7.9 272 279 A K T <4 S+ 0 0 123 -3,-2.5 2,-0.3 -5,-0.1 -1,-0.2 0.361 92.0 115.8-112.3 0.0 44.8 -20.8 11.3 273 280 A R S >< S- 0 0 0 -4,-0.5 3,-1.9 -3,-0.4 -8,-0.2 -0.555 73.3-109.9 -78.9 131.3 46.2 -17.3 11.8 274 281 A F T 3 S+ 0 0 31 -10,-2.2 7,-0.1 -2,-0.3 -1,-0.1 -0.280 105.6 37.2 -56.9 138.9 43.9 -14.3 11.9 275 282 A G T 3 S+ 0 0 1 5,-0.8 6,-0.3 -61,-0.0 -1,-0.3 0.136 112.3 64.2 101.0 -16.2 44.2 -12.1 8.8 276 283 A N S < S+ 0 0 33 -3,-1.9 -2,-0.2 4,-0.2 -3,-0.1 0.204 81.3 96.0-122.4 12.5 44.7 -15.2 6.7 277 284 A L S > S- 0 0 55 3,-0.3 3,-2.2 -5,-0.1 6,-0.1 -0.312 95.6 -79.9 -94.4-177.4 41.3 -17.0 7.1 278 285 A K T 3 S+ 0 0 106 1,-0.3 -1,-0.0 -2,-0.1 0, 0.0 0.876 132.7 44.9 -49.5 -45.9 38.2 -16.9 4.9 279 286 A N T > S- 0 0 94 1,-0.2 3,-1.9 2,-0.1 -1,-0.3 0.408 93.5-167.1 -82.4 3.1 37.1 -13.5 6.3 280 287 A G T X - 0 0 17 -3,-2.2 3,-1.3 1,-0.3 -5,-0.8 -0.150 67.1 -1.1 49.7-131.5 40.6 -12.1 6.0 281 288 A V T >> S+ 0 0 20 -6,-0.3 4,-2.3 1,-0.3 3,-1.2 0.726 121.3 76.3 -62.4 -23.0 41.1 -8.9 7.9 282 289 A N H <> S+ 0 0 52 -3,-1.9 4,-2.4 1,-0.3 -1,-0.3 0.825 84.5 63.8 -60.4 -30.3 37.5 -8.8 9.0 283 290 A D H <4 S+ 0 0 33 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.842 109.6 40.8 -61.0 -31.9 38.3 -11.5 11.6 284 291 A I H X4 S+ 0 0 0 -3,-1.2 3,-1.3 -4,-0.4 6,-0.3 0.905 113.1 50.9 -82.0 -45.7 40.5 -8.9 13.2 285 292 A K H 3< S+ 0 0 6 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.818 115.4 46.0 -61.0 -29.4 38.2 -5.9 12.8 286 293 A N T 3< S+ 0 0 67 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.420 85.1 118.1 -94.0 -1.2 35.4 -8.0 14.4 287 294 A H S X S- 0 0 17 -3,-1.3 3,-1.7 1,-0.1 4,-0.2 -0.364 75.3-117.1 -68.3 147.7 37.4 -9.4 17.3 288 295 A K G > S+ 0 0 151 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.792 111.1 66.1 -54.3 -31.8 36.2 -8.4 20.8 289 296 A W G 3 S+ 0 0 2 -32,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.817 107.5 41.0 -63.3 -27.1 39.4 -6.6 21.6 290 297 A F G X S+ 0 0 2 -3,-1.7 3,-2.9 -6,-0.3 -1,-0.3 0.295 80.5 114.4-100.9 7.3 38.5 -4.0 18.9 291 298 A A T < S+ 0 0 74 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.832 79.7 46.0 -45.8 -42.2 34.8 -3.9 19.8 292 299 A T T 3 S+ 0 0 115 -4,-0.3 2,-0.5 -3,-0.3 -1,-0.3 0.304 89.1 117.5 -87.0 9.4 35.1 -0.2 20.9 293 300 A T < - 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