==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 02-APR-10 3AGL . COMPND 2 MOLECULE: CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT A . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.PFLUG,J.RAGOZINA,A.URI,D.BOSSEMEYER,R.A.ENGH . 680 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31998.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 441 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 49 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 2 2 0 2 1 3 0 0 2 0 0 2 1 0 0 2 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 2 0 2 0 6 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 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 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 10 A X > 0 0 194 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -55.5 5.8 -23.0 -2.2 2 11 A E H > + 0 0 127 1,-0.2 4,-0.8 2,-0.2 0, 0.0 0.827 360.0 47.1 -56.6 -32.6 2.4 -21.6 -1.4 3 12 A Q H > S+ 0 0 110 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.838 103.3 58.1 -82.1 -37.9 4.4 -19.4 0.9 4 13 A E H > S+ 0 0 93 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.864 106.3 50.4 -62.2 -35.4 7.1 -18.3 -1.5 5 14 A S H X S+ 0 0 57 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.839 109.1 51.0 -74.0 -32.9 4.5 -16.9 -3.9 6 15 A V H X S+ 0 0 42 -4,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.958 111.3 49.0 -60.5 -50.4 2.9 -14.9 -1.0 7 16 A K H X S+ 0 0 162 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.887 112.1 48.6 -54.3 -45.8 6.4 -13.6 -0.3 8 17 A E H X S+ 0 0 119 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.928 111.1 49.6 -59.2 -48.4 6.8 -12.7 -3.9 9 18 A F H X S+ 0 0 80 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.913 112.1 48.8 -59.6 -43.5 3.5 -10.9 -4.0 10 19 A L H X S+ 0 0 32 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.920 108.1 51.1 -68.4 -45.7 4.3 -8.9 -0.9 11 20 A A H X S+ 0 0 63 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.906 113.4 47.1 -56.9 -43.9 7.7 -7.7 -2.1 12 21 A K H X S+ 0 0 118 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.928 109.6 52.9 -63.5 -45.4 6.2 -6.5 -5.3 13 22 A A H X S+ 0 0 12 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.863 108.6 51.3 -58.0 -38.5 3.3 -4.8 -3.5 14 23 A K H X S+ 0 0 82 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.912 104.5 56.0 -64.2 -46.4 5.9 -3.0 -1.3 15 24 A E H X S+ 0 0 115 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.928 112.3 43.6 -48.4 -50.2 7.8 -1.8 -4.4 16 25 A D H X S+ 0 0 58 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.894 112.0 51.7 -66.4 -46.6 4.6 -0.2 -5.7 17 26 A F H X S+ 0 0 1 -4,-2.3 4,-3.1 1,-0.2 3,-0.3 0.901 108.8 51.3 -55.0 -47.9 3.6 1.3 -2.3 18 27 A L H X S+ 0 0 50 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.880 102.2 59.3 -63.2 -41.0 7.0 3.0 -1.8 19 28 A K H X S+ 0 0 141 -4,-1.7 4,-0.7 -5,-0.2 -1,-0.2 0.891 117.2 33.9 -52.3 -41.2 6.9 4.6 -5.2 20 29 A K H < S+ 0 0 90 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.835 115.6 56.3 -84.7 -34.5 3.7 6.4 -4.2 21 30 A W H < S+ 0 0 23 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.861 109.7 47.0 -60.0 -38.9 4.7 6.7 -0.5 22 31 A E H < S+ 0 0 127 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.734 126.2 26.3 -80.3 -29.2 7.8 8.6 -1.5 23 32 A S S < S- 0 0 87 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.1 -0.699 85.2-155.3-136.0 84.3 6.2 11.0 -3.9 24 33 A P - 0 0 40 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.188 21.9-110.0 -57.8 146.7 2.5 11.4 -3.0 25 34 A A - 0 0 57 59,-0.1 2,-0.3 -5,-0.1 62,-0.1 -0.423 35.1-164.2 -69.5 151.0 0.0 12.4 -5.8 26 35 A Q - 0 0 140 -2,-0.1 2,-0.3 315,-0.0 75,-0.1 -0.969 6.0-158.5-144.2 133.5 -1.4 15.9 -5.7 27 36 A N - 0 0 73 73,-1.0 2,-0.2 -2,-0.3 75,-0.1 -0.741 20.7-137.5-116.6 169.6 -4.4 17.6 -7.3 28 37 A T + 0 0 116 -2,-0.3 2,-0.2 73,-0.2 72,-0.0 -0.197 43.7 115.1 88.9 97.2 -6.0 20.1 -8.4 29 38 A A - 0 0 12 -2,-0.2 2,-0.3 73,-0.1 73,-0.2 -0.689 40.2-132.0 148.9 162.5 -9.8 20.7 -8.0 30 39 A H > - 0 0 65 -2,-0.2 3,-1.9 1,-0.1 4,-0.1 -0.984 23.9-120.6-140.9 153.3 -12.4 22.9 -6.3 31 40 A L G > S+ 0 0 36 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.861 110.2 66.4 -60.0 -36.2 -15.5 22.3 -4.3 32 41 A D G 3 S+ 0 0 52 1,-0.3 -1,-0.3 -3,-0.1 553,-0.0 0.495 86.6 70.4 -68.3 -3.2 -17.6 24.3 -6.9 33 42 A Q G < S+ 0 0 24 -3,-1.9 21,-2.4 21,-0.1 22,-0.4 0.443 96.6 67.4 -84.0 -3.1 -16.8 21.5 -9.5 34 43 A F E < -A 53 0A 13 -3,-2.1 2,-0.5 19,-0.2 19,-0.2 -0.860 69.5-143.7-121.9 147.6 -19.1 19.2 -7.5 35 44 A E E -A 52 0A 93 17,-2.6 17,-2.6 -2,-0.3 2,-0.3 -0.963 26.8-132.0-105.0 127.5 -22.8 19.0 -6.7 36 45 A R E +A 51 0A 95 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.639 30.6 171.0 -77.4 134.9 -23.5 17.8 -3.2 37 46 A I E - 0 0 77 13,-3.0 2,-0.3 -2,-0.3 14,-0.2 0.784 56.5 -16.2-108.7 -53.0 -26.1 15.0 -3.1 38 47 A K E -A 50 0A 28 12,-1.4 12,-3.1 282,-0.0 2,-0.5 -0.991 55.2-114.4-157.8 143.7 -26.3 13.6 0.4 39 48 A T E -A 49 0A 1 -2,-0.3 282,-0.4 282,-0.3 10,-0.3 -0.733 29.3-178.7 -76.9 121.2 -24.3 13.4 3.7 40 49 A L E - 0 0 4 8,-3.5 2,-0.3 -2,-0.5 279,-0.3 0.627 64.6 -7.5 -94.2 -20.4 -23.3 9.7 4.1 41 50 A G E -A 48 0A 2 7,-1.4 7,-3.1 277,-0.1 -1,-0.4 -0.951 60.2-158.0-172.8 152.6 -21.5 10.0 7.5 42 51 A T E +A 47 0A 77 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.912 10.7 171.6-136.0 164.5 -20.4 12.6 10.0 43 52 A G - 0 0 33 3,-2.0 -2,-0.0 -2,-0.3 5,-0.0 -0.863 52.1 -74.3-155.2-168.3 -17.9 13.0 12.8 44 53 A S S S+ 0 0 71 637,-1.9 3,-0.1 -2,-0.3 29,-0.0 0.701 125.8 16.8 -72.6 -23.5 -16.3 15.6 15.1 45 54 A F S S+ 0 0 14 1,-0.1 21,-2.4 28,-0.0 2,-0.3 0.339 128.0 5.6-131.0 5.6 -14.1 17.3 12.4 46 55 A G E - B 0 65A 13 19,-0.2 -3,-2.0 23,-0.1 2,-0.3 -0.932 54.9-140.1-165.4-173.1 -15.5 16.2 9.1 47 56 A R E -AB 42 64A 46 17,-2.0 17,-3.0 -2,-0.3 2,-0.5 -0.958 18.1-120.3-155.6 169.2 -18.1 14.4 7.1 48 57 A V E -AB 41 63A 11 -7,-3.1 -8,-3.5 -2,-0.3 -7,-1.4 -0.985 31.3-170.2-121.4 127.7 -18.5 12.1 4.1 49 58 A M E -AB 39 62A 0 13,-2.8 13,-3.7 -2,-0.5 2,-0.5 -0.945 26.5-131.8-121.9 136.9 -20.7 13.2 1.2 50 59 A L E +AB 38 61A 0 -12,-3.1 -13,-3.0 -2,-0.4 -12,-1.4 -0.720 42.9 174.8 -73.7 126.5 -22.1 11.7 -1.9 51 60 A V E -AB 36 60A 3 9,-2.3 9,-2.3 -2,-0.5 2,-0.5 -0.933 29.5-136.4-134.4 157.0 -21.2 14.2 -4.6 52 61 A K E -AB 35 59A 69 -17,-2.6 -17,-2.6 -2,-0.3 2,-0.6 -0.980 20.3-133.1-116.9 124.0 -21.6 14.4 -8.4 53 62 A H E > -A 34 0A 21 5,-3.5 4,-3.1 -2,-0.5 5,-0.3 -0.657 19.6-149.3 -76.4 117.0 -18.6 15.7 -10.4 54 63 A K T 4 S+ 0 0 67 -21,-2.4 -1,-0.2 -2,-0.6 -20,-0.1 0.889 87.4 51.2 -61.0 -46.0 -20.4 18.2 -12.8 55 64 A E T 4 S+ 0 0 135 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.864 128.3 20.9 -60.9 -37.1 -18.1 18.0 -15.8 56 65 A T T 4 S- 0 0 68 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.644 93.6-128.2-106.9 -24.6 -18.2 14.1 -16.0 57 66 A G < + 0 0 32 -4,-3.1 -3,-0.2 1,-0.3 2,-0.1 0.435 55.9 152.3 82.5 -0.5 -21.4 13.2 -14.1 58 67 A N - 0 0 75 -5,-0.3 -5,-3.5 -6,-0.1 2,-0.4 -0.393 40.8-134.6 -64.2 136.6 -19.3 10.8 -12.0 59 68 A H E +B 52 0A 49 -7,-0.2 54,-0.6 -2,-0.1 2,-0.3 -0.762 30.2 172.3 -90.6 137.3 -20.5 10.0 -8.5 60 69 A Y E -BC 51 112A 31 -9,-2.3 -9,-2.3 -2,-0.4 2,-0.7 -0.947 36.8-122.1-137.3 159.3 -17.9 10.0 -5.6 61 70 A A E -BC 50 111A 9 50,-2.3 50,-3.5 -2,-0.3 2,-0.6 -0.932 35.0-161.6-100.7 117.6 -17.8 9.7 -1.9 62 71 A M E -BC 49 110A 0 -13,-3.7 -13,-2.8 -2,-0.7 2,-0.6 -0.887 10.0-153.6-110.0 116.0 -16.0 12.9 -0.7 63 72 A K E -BC 48 109A 8 46,-3.1 46,-2.4 -2,-0.6 2,-0.5 -0.790 16.1-165.6 -84.2 123.2 -14.5 13.1 2.7 64 73 A I E -BC 47 108A 3 -17,-3.0 -17,-2.0 -2,-0.6 2,-0.5 -0.965 3.3-168.3-116.3 121.2 -14.5 16.7 3.8 65 74 A L E -BC 46 107A 1 42,-2.9 42,-2.4 -2,-0.5 2,-0.7 -0.947 20.8-132.9-114.7 130.3 -12.4 17.8 6.8 66 75 A D E > - C 0 106A 48 -21,-2.4 4,-2.5 -2,-0.5 40,-0.2 -0.699 16.0-151.0 -78.6 112.4 -12.6 21.2 8.5 67 76 A K H > S+ 0 0 2 38,-2.4 4,-2.4 -2,-0.7 5,-0.2 0.865 93.1 51.0 -55.1 -42.8 -8.9 22.3 8.9 68 77 A Q H > S+ 0 0 97 37,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.912 111.5 47.1 -65.2 -41.8 -9.6 24.4 12.0 69 78 A K H > S+ 0 0 99 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.884 110.1 54.2 -65.3 -38.6 -11.4 21.5 13.7 70 79 A V H <>S+ 0 0 0 -4,-2.5 5,-3.3 -25,-0.2 6,-0.3 0.949 113.0 42.6 -55.9 -50.9 -8.6 19.1 12.7 71 80 A V H ><5S+ 0 0 42 -4,-2.4 3,-1.7 3,-0.2 -2,-0.2 0.918 113.3 51.3 -62.9 -49.3 -6.0 21.4 14.3 72 81 A K H 3<5S+ 0 0 154 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.871 113.7 44.4 -57.9 -40.2 -8.1 22.2 17.4 73 82 A L T 3<5S- 0 0 83 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.234 114.3-120.2 -90.0 13.5 -8.6 18.4 18.0 74 83 A K T < 5S+ 0 0 179 -3,-1.7 -3,-0.2 1,-0.1 4,-0.2 0.825 72.1 132.7 50.6 43.3 -4.9 17.8 17.3 75 84 A Q >< + 0 0 36 -5,-3.3 4,-2.3 -6,-0.2 5,-0.2 0.122 26.7 112.9-105.6 20.6 -5.6 15.5 14.3 76 85 A I H > S+ 0 0 43 -6,-0.3 4,-2.2 1,-0.2 3,-0.2 0.960 80.2 42.9 -59.9 -56.6 -3.1 17.1 11.9 77 86 A E H > S+ 0 0 105 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.891 113.6 54.2 -57.0 -43.8 -0.7 14.1 11.7 78 87 A H H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.869 108.3 47.1 -60.2 -42.0 -3.6 11.7 11.4 79 88 A T H X S+ 0 0 1 -4,-2.3 4,-2.1 -3,-0.2 -1,-0.2 0.869 113.6 49.9 -67.7 -36.4 -5.2 13.5 8.5 80 89 A L H X S+ 0 0 23 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.916 111.4 48.3 -65.5 -46.1 -1.8 13.6 6.8 81 90 A N H X S+ 0 0 23 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.944 110.1 53.2 -54.1 -49.7 -1.3 9.9 7.4 82 91 A E H X S+ 0 0 2 -4,-2.4 4,-2.4 95,-0.2 5,-0.2 0.931 113.0 41.2 -59.9 -49.0 -4.7 9.1 6.0 83 92 A K H X S+ 0 0 7 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.947 117.4 47.6 -61.4 -49.5 -4.2 11.0 2.8 84 93 A R H X S+ 0 0 59 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.902 116.9 42.3 -62.3 -43.6 -0.6 9.7 2.3 85 94 A I H >X S+ 0 0 0 -4,-3.1 4,-1.6 -5,-0.2 3,-1.5 0.970 113.1 51.1 -66.8 -54.6 -1.4 6.0 3.0 86 95 A L H 3< S+ 0 0 5 -4,-2.4 11,-0.5 -5,-0.3 -2,-0.2 0.829 109.0 51.2 -57.2 -35.1 -4.7 5.9 1.0 87 96 A Q H 3< S+ 0 0 26 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.692 113.9 45.2 -73.6 -18.1 -3.1 7.3 -2.1 88 97 A A H << S+ 0 0 1 -3,-1.5 -68,-0.2 -4,-0.6 -2,-0.2 0.689 94.0 87.0-100.1 -21.6 -0.3 4.8 -2.0 89 98 A V < - 0 0 14 -4,-1.6 2,-0.3 -69,-0.1 59,-0.0 -0.390 47.0-175.5 -82.0 160.3 -2.1 1.5 -1.2 90 99 A N + 0 0 84 -2,-0.1 -73,-0.1 6,-0.1 5,-0.1 -0.847 24.4 134.0-157.5 109.6 -3.6 -0.9 -3.8 91 100 A F > - 0 0 9 3,-0.3 3,-1.9 -2,-0.3 53,-0.0 -0.950 59.4-114.5-161.2 144.6 -5.6 -4.0 -2.7 92 101 A P T 3 S+ 0 0 31 0, 0.0 -1,-0.0 0, 0.0 52,-0.0 0.726 114.2 45.5 -57.0 -25.3 -8.9 -5.5 -3.8 93 102 A F T 3 S+ 0 0 0 47,-0.1 80,-3.0 79,-0.1 2,-0.4 0.182 94.1 91.4-108.8 17.3 -10.6 -4.9 -0.4 94 103 A L B < S-e 173 0B 3 -3,-1.9 -3,-0.3 78,-0.3 80,-0.1 -0.947 81.9-112.0-113.8 131.0 -9.4 -1.3 0.2 95 104 A V - 0 0 3 78,-2.5 2,-0.5 -2,-0.4 -2,-0.1 -0.272 36.9-116.4 -58.3 141.2 -11.5 1.7 -0.9 96 105 A K - 0 0 74 -6,-0.0 16,-2.1 16,-0.0 2,-0.7 -0.697 14.5-147.3 -85.6 123.7 -9.9 3.6 -3.8 97 106 A L E -D 111 0A 26 -11,-0.5 14,-0.2 -2,-0.5 3,-0.1 -0.831 14.3-174.1 -84.2 116.0 -8.8 7.2 -3.3 98 107 A E E - 0 0 97 12,-2.3 2,-0.3 -2,-0.7 -1,-0.2 0.924 60.1 -33.7 -76.7 -48.1 -9.3 8.9 -6.7 99 108 A F E -D 110 0A 36 11,-1.3 11,-3.1 2,-0.0 -1,-0.3 -0.977 52.0-142.9-166.1 165.9 -7.8 12.2 -5.7 100 109 A S E +D 109 0A 6 -2,-0.3 -73,-1.0 9,-0.2 2,-0.3 -0.920 21.2 157.4-133.2 159.1 -7.3 14.8 -3.0 101 110 A F E -D 108 0A 3 7,-1.8 7,-3.1 -2,-0.3 2,-0.3 -0.956 20.2-143.7-164.5 178.1 -7.2 18.6 -2.7 102 111 A K E -D 107 0A 76 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.967 8.3-170.3-148.8 159.6 -7.7 21.4 -0.3 103 112 A D - 0 0 30 3,-2.3 230,-0.2 -2,-0.3 -73,-0.0 -0.596 54.3 -66.4-135.1-164.2 -9.1 24.9 -0.2 104 113 A N S S+ 0 0 53 225,-0.2 229,-2.7 -2,-0.2 226,-0.1 0.905 130.0 18.6 -57.8 -39.5 -9.1 27.8 2.3 105 114 A S S S+ 0 0 10 227,-0.1 -38,-2.4 224,-0.1 -37,-0.5 0.781 119.4 36.7-100.9 -36.4 -11.3 25.9 4.8 106 115 A N E -C 66 0A 7 -40,-0.2 -3,-2.3 -39,-0.1 2,-0.4 -0.763 55.6-133.8-130.3 162.2 -11.2 22.2 4.1 107 116 A L E -CD 65 102A 0 -42,-2.4 -42,-2.9 -2,-0.3 2,-0.4 -0.911 28.8-156.0-111.4 145.0 -9.3 19.1 3.1 108 117 A Y E -CD 64 101A 0 -7,-3.1 -7,-1.8 -2,-0.4 2,-0.5 -0.983 18.0-175.8-130.6 132.7 -10.9 16.8 0.6 109 118 A M E -CD 63 100A 2 -46,-2.4 -46,-3.1 -2,-0.4 2,-0.8 -0.977 16.0-156.9-123.7 115.4 -10.4 13.1 -0.2 110 119 A V E -CD 62 99A 0 -11,-3.1 -12,-2.3 -2,-0.5 -11,-1.3 -0.821 19.4-179.2 -98.9 105.5 -12.5 12.0 -3.1 111 120 A M E -CD 61 97A 5 -50,-3.5 -50,-2.3 -2,-0.8 -14,-0.2 -0.572 38.7 -86.7 -99.9 163.7 -13.1 8.2 -3.0 112 121 A E E -C 60 0A 87 -16,-2.1 2,-0.5 -52,-0.2 -52,-0.2 -0.499 51.9-117.1 -57.8 130.9 -14.9 5.7 -5.1 113 122 A Y - 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0 0 39 -2,-0.4 2,-0.4 -3,-0.1 -17,-0.1 -0.972 22.9-151.5-147.3 133.4 -15.3 -13.2 27.4 247 256 A R - 0 0 228 -19,-0.3 -2,-0.0 -2,-0.3 0, 0.0 -0.842 12.4-145.0-105.0 146.6 -18.5 -15.3 27.1 248 257 A F - 0 0 40 -2,-0.4 -2,-0.0 4,-0.1 9,-0.0 -0.860 22.2-107.4-111.9 143.7 -19.6 -16.8 23.9 249 258 A P > - 0 0 15 0, 0.0 3,-1.5 0, 0.0 -1,-0.0 -0.312 36.3-114.1 -59.6 152.7 -23.2 -17.3 22.6 250 259 A S T 3 S+ 0 0 125 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.704 111.9 62.2 -70.5 -18.7 -24.2 -20.9 22.8 251 260 A H T 3 S+ 0 0 73 2,-0.0 2,-0.3 -27,-0.0 -1,-0.3 0.502 75.1 112.6 -81.8 -6.9 -24.4 -21.3 19.0 252 261 A F S < S- 0 0 7 -3,-1.5 -4,-0.1 1,-0.1 -28,-0.0 -0.539 72.5-120.5 -67.3 131.5 -20.7 -20.5 18.4 253 262 A S > - 0 0 43 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.218 19.4-114.6 -64.8 156.8 -18.9 -23.5 17.1 254 263 A S H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.887 118.3 54.7 -62.7 -34.6 -16.0 -24.9 19.1 255 264 A D H > S+ 0 0 46 2,-0.2 4,-2.2 1,-0.2 32,-0.3 0.915 108.7 48.2 -62.2 -42.0 -13.6 -24.0 16.3 256 265 A L H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.936 110.9 50.0 -63.6 -45.5 -14.9 -20.4 16.3 257 266 A K H X S+ 0 0 60 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.903 110.1 50.7 -60.5 -42.8 -14.5 -20.1 20.1 258 267 A D H X S+ 0 0 69 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.932 111.4 47.6 -61.0 -48.2 -10.9 -21.5 19.9 259 268 A L H >X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 3,-0.6 0.942 112.9 49.5 -56.3 -47.9 -10.0 -18.9 17.2 260 269 A L H 3X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.3 -2,-0.2 0.859 105.0 56.6 -64.6 -34.1 -11.6 -16.1 19.3 261 270 A R H 3< S+ 0 0 126 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.832 111.6 44.9 -65.6 -28.4 -9.8 -17.1 22.5 262 271 A N H << S+ 0 0 37 -4,-1.2 10,-2.3 -3,-0.6 3,-0.4 0.743 117.8 41.6 -87.1 -26.1 -6.5 -16.7 20.5 263 272 A L H < S+ 0 0 0 -4,-1.7 2,-0.5 8,-0.2 -2,-0.2 0.872 115.1 50.5 -82.6 -45.1 -7.5 -13.3 18.9 264 273 A L S < S+ 0 0 13 -4,-3.3 2,-0.6 -5,-0.2 -1,-0.2 -0.209 79.6 142.3 -85.1 42.0 -9.0 -11.9 22.0 265 274 A Q - 0 0 58 -2,-0.5 6,-0.1 -3,-0.4 -3,-0.1 -0.790 44.2-154.1 -84.5 118.3 -5.9 -12.9 23.9 266 275 A V S S+ 0 0 42 -2,-0.6 2,-0.9 1,-0.1 -1,-0.2 0.806 81.4 75.8 -66.1 -30.6 -5.3 -10.1 26.4 267 276 A D S > S- 0 0 58 1,-0.2 3,-2.2 -3,-0.1 4,-0.5 -0.747 73.7-157.3 -85.8 104.9 -1.5 -10.8 26.5 268 277 A L G > S+ 0 0 34 -2,-0.9 3,-0.7 1,-0.3 -1,-0.2 0.760 89.1 63.0 -53.7 -28.7 -0.3 -9.4 23.2 269 278 A T G 3 S+ 0 0 88 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.616 109.5 40.1 -76.2 -14.1 2.7 -11.7 23.2 270 279 A K G < S+ 0 0 124 -3,-2.2 2,-0.3 5,-0.1 -1,-0.2 0.306 90.3 118.8-108.8 1.1 0.4 -14.7 23.0 271 280 A R S X S- 0 0 0 -3,-0.7 3,-2.1 -4,-0.5 -8,-0.2 -0.536 71.6-110.0 -77.9 132.2 -2.1 -13.3 20.5 272 281 A F T 3 S+ 0 0 31 -10,-2.3 7,-0.1 -2,-0.3 -7,-0.1 -0.330 107.6 36.3 -56.7 136.2 -2.6 -15.0 17.1 273 282 A G T 3 S+ 0 0 9 5,-0.8 -1,-0.3 -61,-0.0 6,-0.2 -0.013 113.3 64.4 103.0 -25.0 -1.2 -12.8 14.3 274 283 A N S < S+ 0 0 47 -3,-2.1 -2,-0.2 4,-0.2 2,-0.1 0.134 79.7 96.2-118.8 14.0 1.7 -11.8 16.6 275 284 A L S > S- 0 0 57 3,-0.3 3,-2.6 -5,-0.1 6,-0.1 -0.450 96.1 -84.2 -96.4 177.1 3.5 -15.1 17.2 276 285 A K T 3 S+ 0 0 219 1,-0.3 -1,-0.0 -2,-0.1 0, 0.0 0.806 130.3 52.6 -51.9 -33.5 6.5 -16.4 15.3 277 286 A N T > S- 0 0 83 1,-0.2 3,-1.6 2,-0.1 -1,-0.3 0.397 91.9-167.3 -88.4 2.6 4.3 -17.8 12.6 278 287 A G T X - 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0 0 21 -3,-2.1 3,-1.5 1,-0.2 -5,-0.8 -0.045 58.9 -5.3 56.0-140.7 2.8 35.5 -21.6 617 288 B V T >> S+ 0 0 22 1,-0.3 4,-2.5 -6,-0.2 3,-1.2 0.738 120.5 76.9 -65.9 -22.8 -0.4 35.5 -23.7 618 289 B N H <> S+ 0 0 64 -3,-1.2 4,-2.2 1,-0.3 -1,-0.3 0.748 84.0 62.6 -61.5 -24.6 0.2 31.9 -24.7 619 290 B D H <4 S+ 0 0 39 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.808 112.0 39.4 -68.4 -29.0 -1.0 30.6 -21.3 620 291 B I H X4 S+ 0 0 0 -3,-1.2 3,-1.3 -4,-0.4 6,-0.2 0.916 115.5 49.4 -80.9 -47.9 -4.3 32.2 -22.3 621 292 B K H 3< S+ 0 0 23 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.811 116.3 43.2 -64.9 -30.7 -4.4 31.3 -26.0 622 293 B N T 3< S+ 0 0 125 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.329 87.1 122.9 -97.2 3.5 -3.6 27.6 -25.1 623 294 B H S X S- 0 0 17 -3,-1.3 3,-1.3 1,-0.1 -3,-0.1 -0.333 73.8-117.2 -62.5 148.3 -6.0 27.4 -22.2 624 295 B K G > S+ 0 0 157 1,-0.3 3,-2.3 2,-0.2 4,-0.3 0.855 111.6 63.5 -57.0 -39.7 -8.7 24.7 -22.4 625 296 B W G 3 S+ 0 0 2 -32,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.756 107.8 44.3 -57.2 -27.8 -11.6 27.2 -22.5 626 297 B F G X S+ 0 0 2 -3,-1.3 3,-2.2 -6,-0.2 -1,-0.3 0.237 77.3 112.9 -99.5 13.0 -10.2 28.5 -25.8 627 298 B A T < S+ 0 0 82 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.841 79.3 50.1 -54.9 -32.6 -9.5 25.0 -27.3 628 299 B T T 3 S+ 0 0 113 -4,-0.3 2,-0.4 -3,-0.3 -1,-0.3 0.508 87.7 108.4 -83.9 -4.2 -12.2 25.7 -30.0 629 300 B T < - 0 0 21 -3,-2.2 2,-0.9 -8,-0.1 3,-0.1 -0.643 56.6-156.0 -83.7 127.3 -10.9 29.1 -30.9 630 301 B D > - 0 0 94 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 -0.877 12.0-167.0 -97.5 98.2 -9.2 29.4 -34.3 631 302 B W H > S+ 0 0 39 -2,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.859 82.6 47.8 -62.2 -41.5 -7.0 32.4 -33.6 632 303 B I H > S+ 0 0 117 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.922 111.0 50.6 -65.1 -46.0 -6.0 33.1 -37.2 633 304 B A H 4>S+ 0 0 15 2,-0.2 5,-2.9 1,-0.2 6,-0.8 0.843 110.2 50.9 -63.7 -34.2 -9.6 32.9 -38.4 634 305 B I H ><5S+ 0 0 6 -4,-2.1 3,-1.8 3,-0.2 -1,-0.2 0.964 110.3 49.4 -63.4 -52.0 -10.7 35.3 -35.7 635 306 B Y H 3<5S+ 0 0 87 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.885 113.6 45.4 -51.2 -44.7 -7.9 37.7 -36.7 636 307 B Q T 3<5S- 0 0 98 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.343 112.3-122.2 -83.8 3.6 -9.0 37.5 -40.4 637 308 B R T < 5S+ 0 0 49 -3,-1.8 -3,-0.2 -5,-0.2 -2,-0.1 0.822 72.8 129.6 58.6 37.2 -12.7 37.8 -39.4 638 309 B K < + 0 0 147 -5,-2.9 2,-0.3 -6,-0.2 -4,-0.2 0.560 38.9 97.8 -96.8 -8.2 -13.7 34.5 -41.0 639 310 B V S S- 0 0 52 -6,-0.8 2,-0.2 -9,-0.1 0, 0.0 -0.638 85.4-107.1 -80.4 138.4 -15.6 33.1 -38.0 640 311 B E - 0 0 174 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.476 38.0-123.7 -63.6 127.7 -19.4 33.5 -38.1 641 312 B A - 0 0 10 -135,-0.3 3,-0.1 -2,-0.2 -133,-0.1 -0.442 11.4-121.7 -75.2 148.6 -20.5 36.1 -35.6 642 313 B P S S- 0 0 35 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.826 93.2 -4.0 -57.8 -36.7 -23.1 35.4 -32.8 643 314 B F - 0 0 62 -136,-0.2 0, 0.0 -137,-0.1 0, 0.0 -0.983 58.2-138.8-157.9 154.0 -25.2 38.2 -34.2 644 315 B I - 0 0 92 -2,-0.3 -139,-0.1 -3,-0.1 3,-0.1 -0.959 37.5-120.6-111.1 122.6 -25.3 40.9 -36.8 645 316 B P - 0 0 8 0, 0.0 2,-0.1 0, 0.0 -190,-0.1 -0.329 33.4 -92.5 -66.8 150.0 -26.8 44.2 -35.5 646 317 B K - 0 0 160 -192,-0.1 2,-0.4 1,-0.1 9,-0.1 -0.379 42.4-167.8 -58.2 132.1 -29.8 45.7 -37.1 647 318 B F - 0 0 87 -3,-0.1 -193,-0.1 1,-0.1 -1,-0.1 -0.926 15.4-178.9-133.4 102.7 -28.7 48.2 -39.7 648 319 B K - 0 0 174 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.502 62.0 -72.8 -82.1 -5.0 -31.5 50.4 -41.1 649 320 B G S > S- 0 0 18 3,-0.1 3,-1.7 0, 0.0 -1,-0.3 -0.777 77.5 -25.9 139.3 178.4 -29.1 52.2 -43.5 650 321 B P T 3 S+ 0 0 113 0, 0.0 -254,-0.0 0, 0.0 -3,-0.0 -0.377 128.5 16.2 -59.2 136.2 -26.2 54.7 -43.6 651 322 B G T 3 S+ 0 0 21 1,-0.3 2,-0.2 -262,-0.1 -263,-0.1 0.548 85.2 153.5 78.3 8.3 -26.4 57.1 -40.6 652 323 B D < - 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