==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/INHIBITOR 21-AUG-13 4C35 . COMPND 2 MOLECULE: CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT A . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.COUTY,I.M.WESTWOOD,A.KALUSA,C.CANO,J.TRAVERS,K.BOXALL,C.L. . 359 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16406.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 61.3 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 12.0 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 . 18 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 29.0 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 1 1 1 0 2 0 0 1 0 0 1 0 0 0 1 1 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 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 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 10 A X > 0 0 193 0, 0.0 4,-1.3 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 125.8 35.0 100.0 108.7 2 11 A E H > + 0 0 178 1,-0.2 4,-1.2 2,-0.2 0, 0.0 0.797 360.0 48.4 -57.5 -37.2 32.1 97.7 107.8 3 12 A Q H > S+ 0 0 56 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.734 107.3 55.5 -77.0 -25.3 29.5 100.6 107.9 4 13 A E H > S+ 0 0 75 -3,-0.5 4,-1.5 2,-0.2 -2,-0.2 0.770 105.2 54.5 -74.8 -30.2 31.8 102.8 105.7 5 14 A S H X S+ 0 0 80 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.911 107.3 48.6 -68.1 -48.5 31.8 100.0 103.0 6 15 A V H X S+ 0 0 50 -4,-1.2 4,-2.6 1,-0.2 -2,-0.2 0.902 111.1 50.6 -60.5 -43.0 28.0 99.9 102.8 7 16 A K H X S+ 0 0 61 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.869 112.1 46.6 -63.7 -41.5 27.7 103.7 102.5 8 17 A E H X S+ 0 0 66 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.898 113.2 49.3 -68.1 -42.7 30.3 103.8 99.6 9 18 A F H X S+ 0 0 76 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.930 113.0 46.8 -59.2 -50.6 28.6 100.8 97.8 10 19 A L H X S+ 0 0 36 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.902 110.4 52.9 -63.4 -38.5 25.1 102.5 98.1 11 20 A A H X S+ 0 0 62 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.897 113.5 43.0 -62.3 -44.4 26.5 105.9 96.9 12 21 A K H X S+ 0 0 128 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.899 113.2 53.0 -67.5 -41.6 28.0 104.3 93.8 13 22 A A H X S+ 0 0 10 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.844 108.1 50.4 -63.1 -37.9 24.8 102.2 93.3 14 23 A K H X S+ 0 0 63 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.894 110.8 49.6 -65.2 -43.7 22.6 105.4 93.4 15 24 A E H X S+ 0 0 129 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.872 111.8 48.2 -62.0 -43.6 24.8 107.0 90.8 16 25 A D H X S+ 0 0 44 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.923 113.9 47.5 -65.9 -43.1 24.6 103.9 88.5 17 26 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.896 109.9 50.6 -62.2 -49.9 20.8 103.8 88.9 18 27 A L H X S+ 0 0 69 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.824 109.4 51.9 -60.9 -34.0 20.2 107.6 88.2 19 28 A K H X S+ 0 0 106 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.941 115.5 39.3 -68.2 -50.4 22.3 107.5 85.0 20 29 A K H < S+ 0 0 86 -4,-1.7 -2,-0.2 68,-0.2 -1,-0.2 0.814 115.1 55.1 -68.7 -34.8 20.4 104.5 83.5 21 30 A W H < S+ 0 0 24 -4,-2.5 -2,-0.2 67,-0.2 -1,-0.2 0.865 109.6 46.5 -63.7 -43.5 17.1 105.9 84.9 22 31 A E H < S+ 0 0 126 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.878 127.5 25.2 -67.4 -43.8 17.7 109.2 83.1 23 32 A N S < S- 0 0 131 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.1 -0.762 85.7-162.5-124.8 80.4 18.7 107.6 79.7 24 33 A P - 0 0 34 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.332 23.9-109.9 -66.9 144.2 17.0 104.1 79.5 25 34 A A - 0 0 51 59,-0.1 2,-0.3 -5,-0.1 3,-0.1 -0.507 41.2-174.1 -70.9 140.1 18.3 101.5 77.0 26 35 A Q + 0 0 93 -2,-0.2 75,-0.1 1,-0.2 315,-0.1 -0.970 51.9 7.8-135.4 151.7 15.8 100.8 74.2 27 36 A N + 0 0 116 -2,-0.3 74,-0.2 1,-0.1 -1,-0.2 0.892 64.1 156.1 46.2 62.0 15.6 98.4 71.2 28 37 A T + 0 0 67 72,-2.4 2,-0.2 -3,-0.1 73,-0.2 0.336 63.1 11.9-100.3 7.3 18.6 96.1 72.1 29 38 A A - 0 0 12 71,-0.4 2,-0.3 70,-0.0 3,-0.0 -0.914 68.2-124.0-164.4-179.9 17.4 93.0 70.2 30 39 A H > - 0 0 100 -2,-0.2 3,-1.2 71,-0.1 4,-0.1 -0.960 24.1-119.9-138.2 153.3 14.8 91.7 67.6 31 40 A L G > S+ 0 0 41 -2,-0.3 3,-1.8 1,-0.2 -1,-0.1 0.851 109.9 64.5 -61.0 -39.4 12.1 88.9 67.7 32 41 A D G 3 S+ 0 0 132 1,-0.3 -1,-0.2 -3,-0.0 22,-0.0 0.622 90.5 68.8 -60.9 -15.3 13.8 87.0 64.7 33 42 A Q G < S+ 0 0 77 -3,-1.2 21,-2.5 21,-0.1 22,-0.4 0.411 95.9 68.7 -80.4 -5.1 16.9 86.5 67.0 34 43 A F E < -A 53 0A 19 -3,-1.8 2,-0.4 19,-0.2 19,-0.2 -0.910 63.3-149.7-126.0 153.1 14.9 84.0 69.3 35 44 A E E -A 52 0A 90 17,-2.2 17,-2.4 -2,-0.3 2,-0.3 -0.967 26.0-128.8-116.0 126.0 13.4 80.6 69.2 36 45 A R E +A 51 0A 91 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.589 29.9 171.1 -76.4 135.3 10.3 79.9 71.4 37 46 A I E - 0 0 69 13,-3.1 2,-0.3 1,-0.3 14,-0.2 0.778 58.6 -25.2-107.8 -50.8 10.5 76.8 73.6 38 47 A K E -A 50 0A 32 12,-1.2 12,-3.4 282,-0.0 2,-0.4 -0.957 57.6-103.5-166.5 145.8 7.5 76.9 76.0 39 48 A T E +A 49 0A 2 -2,-0.3 282,-0.4 10,-0.2 10,-0.3 -0.641 35.4 179.4 -75.1 124.5 5.0 79.3 77.6 40 49 A L E + 0 0 10 8,-2.9 279,-0.3 -2,-0.4 2,-0.3 0.641 61.6 5.6 -99.1 -26.0 6.2 79.6 81.3 41 50 A G E -A 48 0A 11 7,-1.8 7,-2.6 277,-0.1 -1,-0.3 -0.979 59.1-165.0-160.1 152.5 3.5 82.0 82.6 42 51 A T E +A 47 0A 79 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.854 23.4 120.9-136.8 168.4 0.3 83.7 81.7 43 52 A G S S- 0 0 43 3,-1.2 3,-0.4 -2,-0.3 -2,-0.0 -0.970 72.3 -57.5 162.8-170.3 -1.9 86.6 82.9 44 53 A S S S+ 0 0 98 -2,-0.3 -1,-0.1 1,-0.2 29,-0.1 0.881 125.0 62.4 -66.8 -37.4 -3.6 90.0 82.1 45 54 A Y S S- 0 0 61 1,-0.2 21,-0.4 -3,-0.1 2,-0.4 0.798 119.2-106.9 -54.0 -35.7 -0.1 91.5 81.4 46 55 A G - 0 0 19 -3,-0.4 -3,-1.2 19,-0.2 2,-0.3 -0.970 54.7 -51.7 141.0-119.7 0.4 89.0 78.5 47 56 A R E -AB 42 64A 34 17,-2.0 17,-3.3 -2,-0.4 2,-0.4 -0.976 27.9-132.4-153.3 162.0 2.7 86.0 78.9 48 57 A V E -AB 41 63A 31 -7,-2.6 -8,-2.9 -2,-0.3 -7,-1.8 -0.950 28.0-172.9-117.1 130.4 6.2 84.7 79.7 49 58 A M E -AB 39 62A 1 13,-2.1 13,-3.5 -2,-0.4 2,-0.5 -0.974 28.8-121.3-125.0 142.5 7.9 82.3 77.4 50 59 A L E -AB 38 61A 0 -12,-3.4 -13,-3.1 -2,-0.4 -12,-1.2 -0.742 43.8-174.9 -76.2 127.3 11.2 80.3 77.6 51 60 A V E -AB 36 60A 5 9,-3.3 9,-2.1 -2,-0.5 2,-0.5 -0.867 23.4-140.4-124.0 160.3 13.2 81.5 74.5 52 61 A K E -AB 35 59A 32 -17,-2.4 -17,-2.2 -2,-0.3 2,-0.6 -0.989 19.9-132.2-123.9 119.6 16.6 80.5 72.9 53 62 A H E > -A 34 0A 20 5,-3.4 4,-2.9 -2,-0.5 5,-0.4 -0.658 20.6-144.1 -72.9 110.3 18.8 83.2 71.6 54 63 A M T 4 S+ 0 0 113 -21,-2.5 -1,-0.1 -2,-0.6 -20,-0.1 0.820 90.9 45.6 -45.3 -51.7 19.7 81.8 68.0 55 64 A E T 4 S+ 0 0 90 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.880 126.8 26.3 -66.6 -42.4 23.4 83.1 67.8 56 65 A T T 4 S- 0 0 77 -3,-0.1 -2,-0.2 2,-0.1 -1,-0.2 0.663 91.7-130.2 -95.1 -24.6 24.5 82.0 71.3 57 66 A G < + 0 0 36 -4,-2.9 2,-0.2 1,-0.3 -3,-0.1 0.451 58.3 149.0 80.8 1.8 22.2 79.1 72.2 58 67 A N - 0 0 78 -5,-0.4 -5,-3.4 -6,-0.1 2,-0.3 -0.480 42.5-132.4 -71.3 139.0 21.5 81.0 75.5 59 68 A H E +B 52 0A 45 -7,-0.2 54,-0.6 -2,-0.2 2,-0.3 -0.700 28.8 170.9 -93.4 142.7 18.0 80.6 77.1 60 69 A Y E -BC 51 112A 26 -9,-2.1 -9,-3.3 -2,-0.3 2,-0.5 -0.957 35.7-116.8-142.5 159.7 16.0 83.5 78.5 61 70 A A E -BC 50 111A 11 50,-2.5 50,-3.5 -2,-0.3 2,-0.6 -0.843 32.1-157.1 -95.4 129.7 12.5 84.2 79.8 62 71 A M E -BC 49 110A 1 -13,-3.5 -13,-2.1 -2,-0.5 2,-0.5 -0.952 5.3-156.6-115.4 117.6 10.6 86.6 77.4 63 72 A K E -BC 48 109A 12 46,-2.9 46,-2.5 -2,-0.6 2,-0.5 -0.791 14.0-165.3 -88.3 124.2 7.7 88.6 78.8 64 73 A I E -BC 47 108A 3 -17,-3.3 -17,-2.0 -2,-0.5 2,-0.4 -0.978 4.6-170.0-117.3 120.7 5.4 89.6 75.9 65 74 A L E - C 0 107A 2 42,-2.4 42,-2.1 -2,-0.5 2,-0.6 -0.917 22.3-131.8-111.9 135.4 2.8 92.3 76.3 66 75 A D E > - C 0 106A 45 -2,-0.4 4,-2.1 -21,-0.4 3,-0.3 -0.798 15.4-148.7 -83.8 115.2 0.1 93.0 73.7 67 76 A K H > S+ 0 0 4 38,-2.4 4,-2.2 -2,-0.6 5,-0.2 0.859 95.4 52.1 -53.0 -44.3 0.1 96.9 73.3 68 77 A Q H > S+ 0 0 107 37,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.878 111.9 45.4 -61.5 -41.0 -3.6 97.1 72.5 69 78 A K H > S+ 0 0 128 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.847 110.4 54.6 -71.7 -35.1 -4.5 95.1 75.7 70 79 A V H <>S+ 0 0 6 -4,-2.1 5,-3.1 2,-0.2 6,-0.3 0.910 111.9 44.0 -61.8 -46.4 -2.1 97.2 77.8 71 80 A V H ><5S+ 0 0 47 -4,-2.2 3,-1.1 3,-0.2 -2,-0.2 0.906 114.5 50.4 -64.0 -44.4 -3.9 100.4 76.6 72 81 A K H 3<5S+ 0 0 85 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.820 112.6 45.3 -65.0 -35.4 -7.3 98.8 77.1 73 82 A L T 3<5S- 0 0 88 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.379 112.9-120.8 -89.6 5.1 -6.4 97.7 80.7 74 83 A K T < 5S+ 0 0 81 -3,-1.1 4,-0.2 -4,-0.2 -3,-0.2 0.829 73.4 130.8 58.5 39.8 -5.0 101.2 81.4 75 84 A Q >< + 0 0 69 -5,-3.1 4,-2.4 -6,-0.2 5,-0.2 0.114 25.3 111.7-107.4 20.4 -1.5 99.7 82.2 76 85 A I H > S+ 0 0 42 -6,-0.3 4,-2.6 2,-0.2 5,-0.2 0.943 84.8 39.3 -56.6 -55.5 0.6 102.0 80.0 77 86 A E H > S+ 0 0 147 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.933 116.3 52.4 -59.9 -49.6 2.4 103.9 82.9 78 87 A H H > S+ 0 0 41 -4,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.849 113.4 44.8 -53.4 -42.7 2.6 100.6 84.9 79 88 A T H X S+ 0 0 2 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.884 115.4 45.2 -73.2 -44.8 4.3 98.9 81.8 80 89 A L H X S+ 0 0 8 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.902 115.3 47.6 -65.0 -43.4 6.7 101.8 81.0 81 90 A N H X S+ 0 0 37 -4,-3.0 4,-2.5 2,-0.2 5,-0.3 0.878 108.2 55.9 -66.8 -38.9 7.7 102.2 84.7 82 91 A E H X S+ 0 0 6 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.942 114.6 38.7 -57.6 -48.3 8.2 98.4 85.1 83 92 A K H X S+ 0 0 4 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.888 114.0 53.2 -73.1 -42.2 10.7 98.4 82.2 84 93 A R H X S+ 0 0 63 -4,-2.6 4,-0.6 2,-0.2 -1,-0.2 0.889 113.9 43.8 -62.1 -39.1 12.4 101.7 83.1 85 94 A I H >X S+ 0 0 0 -4,-2.5 4,-1.2 2,-0.2 3,-1.2 0.963 113.0 51.1 -68.2 -50.3 13.1 100.5 86.7 86 95 A L H 3< S+ 0 0 6 -4,-2.2 11,-0.5 1,-0.3 3,-0.3 0.818 108.9 49.2 -58.7 -40.2 14.3 97.1 85.7 87 96 A Q H 3< S+ 0 0 25 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.679 113.2 50.0 -73.0 -17.4 16.8 98.3 83.1 88 97 A A H << S+ 0 0 2 -3,-1.2 -68,-0.2 -4,-0.6 -2,-0.2 0.654 96.2 83.4 -93.8 -18.7 18.2 100.8 85.7 89 98 A V < - 0 0 16 -4,-1.2 2,-0.2 -3,-0.3 59,-0.0 -0.512 47.7-178.9 -91.6 159.0 18.7 98.4 88.7 90 99 A N + 0 0 82 -2,-0.2 -73,-0.1 6,-0.1 5,-0.1 -0.802 25.2 129.0-158.6 103.4 21.6 96.0 89.5 91 100 A F > - 0 0 8 3,-0.3 3,-1.6 -2,-0.2 53,-0.0 -0.966 60.7-115.2-155.7 146.4 21.7 93.7 92.6 92 101 A P T 3 S+ 0 0 31 0, 0.0 4,-0.1 0, 0.0 -1,-0.0 0.728 114.0 48.4 -61.6 -23.6 22.3 89.9 92.9 93 102 A F T 3 S+ 0 0 1 47,-0.1 80,-3.3 79,-0.1 2,-0.4 0.198 94.7 89.2-103.0 15.5 18.8 89.1 94.1 94 103 A L B < S-e 173 0B 2 -3,-1.6 -3,-0.3 78,-0.2 80,-0.2 -0.938 85.5-111.7-112.0 133.9 17.0 91.1 91.3 95 104 A V - 0 0 10 78,-2.3 2,-0.4 -2,-0.4 -2,-0.1 -0.383 35.5-123.3 -62.4 136.6 16.1 89.5 88.0 96 105 A K - 0 0 82 -4,-0.1 16,-2.7 -6,-0.1 2,-0.7 -0.770 7.1-142.2 -87.3 130.0 18.2 90.9 85.1 97 106 A L E -D 111 0A 27 -11,-0.5 14,-0.3 -2,-0.4 3,-0.1 -0.847 22.0-177.7 -87.0 110.3 16.5 92.5 82.1 98 107 A E E - 0 0 80 12,-2.6 2,-0.3 -2,-0.7 13,-0.2 0.863 61.0 -9.5 -80.6 -42.4 18.9 91.3 79.3 99 108 A F E -D 110 0A 46 11,-1.7 11,-3.2 2,-0.0 2,-0.3 -0.981 56.9-163.0-151.6 161.6 17.2 93.0 76.3 100 109 A S E +D 109 0A 3 -2,-0.3 -72,-2.4 9,-0.2 -71,-0.4 -0.983 19.9 145.4-148.6 147.4 14.0 94.9 75.5 101 110 A F E -D 108 0A 5 7,-1.5 7,-3.1 -2,-0.3 2,-0.3 -0.941 25.8-141.7-165.1 173.9 12.3 95.8 72.1 102 111 A K E -D 107 0A 70 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.973 9.1-169.5-145.7 155.2 8.9 96.3 70.5 103 112 A D - 0 0 35 3,-2.4 230,-0.2 -2,-0.3 5,-0.0 -0.463 54.1 -65.8-126.1-159.1 7.2 95.5 67.2 104 113 A N S S+ 0 0 53 225,-0.2 229,-2.9 -2,-0.2 226,-0.1 0.856 131.2 15.1 -61.6 -39.5 3.9 96.5 65.5 105 114 A S S S+ 0 0 7 227,-0.2 -38,-2.4 224,-0.1 -37,-0.4 0.747 119.6 50.5-106.1 -35.6 1.7 94.6 68.1 106 115 A N E -C 66 0A 3 -40,-0.2 -3,-2.4 -39,-0.1 2,-0.4 -0.702 53.3-143.0-120.0 165.0 4.0 93.7 71.1 107 116 A L E -CD 65 102A 0 -42,-2.1 -42,-2.4 -5,-0.2 2,-0.4 -0.933 28.0-155.4-115.2 136.9 6.5 94.9 73.9 108 117 A Y E -CD 64 101A 0 -7,-3.1 -7,-1.5 -2,-0.4 2,-0.5 -0.979 16.7-175.0-128.0 129.1 9.2 92.4 74.8 109 118 A M E -CD 63 100A 1 -46,-2.5 -46,-2.9 -2,-0.4 2,-0.7 -0.973 12.7-159.1-121.2 111.3 11.3 92.1 77.9 110 119 A V E -CD 62 99A 0 -11,-3.2 -12,-2.6 -2,-0.5 -11,-1.7 -0.851 21.9-176.5 -94.8 112.1 14.0 89.5 77.7 111 120 A L E -CD 61 97A 21 -50,-3.5 -50,-2.5 -2,-0.7 -14,-0.2 -0.764 35.5 -87.5-112.6 158.7 14.9 88.4 81.2 112 121 A E E -C 60 0A 38 -16,-2.7 2,-0.4 -2,-0.3 -52,-0.2 -0.374 52.2-116.7 -61.0 130.4 17.4 86.2 82.8 113 122 A Y - 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0 0 0 0, 0.0 3,-0.1 0, 0.0 -9,-0.1 -0.293 29.9-117.6 -73.3 161.9 -0.1 83.6 105.6 228 237 A P S S+ 0 0 16 0, 0.0 2,-0.4 0, 0.0 19,-0.3 0.727 105.9 39.9 -70.9 -18.8 -0.9 85.3 109.0 229 238 A F S S+ 0 0 1 -35,-0.2 2,-0.3 17,-0.1 8,-0.1 -0.953 75.7 149.3-134.0 109.6 -4.1 86.8 107.6 230 239 A F + 0 0 21 -2,-0.4 2,-0.3 -3,-0.1 3,-0.0 -0.963 4.2 146.6-140.0 154.5 -6.3 84.6 105.3 231 240 A A - 0 0 18 -2,-0.3 6,-0.1 117,-0.1 -2,-0.0 -0.911 57.5 -91.0-169.2 177.7 -10.0 84.3 104.5 232 241 A D S S+ 0 0 31 -2,-0.3 -1,-0.0 1,-0.1 3,-0.0 0.851 107.5 35.3 -73.5 -36.2 -12.2 83.4 101.4 233 242 A Q S >> S- 0 0 120 1,-0.1 4,-1.5 -3,-0.0 3,-0.9 -0.933 81.9-119.2-122.5 144.3 -12.6 87.0 100.2 234 243 A P H 3> S+ 0 0 36 0, 0.0 4,-2.5 0, 0.0 3,-0.3 0.830 112.0 59.8 -46.4 -43.3 -10.2 90.0 100.2 235 244 A I H 3> S+ 0 0 56 1,-0.2 4,-1.7 2,-0.2 0, 0.0 0.882 106.4 46.5 -51.9 -46.8 -12.6 92.1 102.4 236 245 A Q H <> S+ 0 0 89 -3,-0.9 4,-1.2 2,-0.2 -1,-0.2 0.805 110.6 53.7 -68.0 -30.3 -12.4 89.5 105.2 237 246 A I H >X S+ 0 0 0 -4,-1.5 4,-1.8 -3,-0.3 3,-0.7 0.970 106.9 51.6 -66.0 -50.8 -8.6 89.4 104.8 238 247 A Y H 3X S+ 0 0 51 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.838 104.9 55.5 -53.1 -44.5 -8.4 93.2 105.3 239 248 A E H 3X S+ 0 0 125 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.875 108.6 48.6 -59.5 -38.4 -10.5 93.1 108.5 240 249 A K H - 0 0 14 0, 0.0 3,-1.9 0, 0.0 -1,-0.0 -0.301 31.9-116.8 -59.2 147.7 2.1 78.3 115.3 250 259 A S T 3 S+ 0 0 126 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.777 113.7 62.5 -58.1 -29.2 3.4 76.5 118.4 251 260 A H T 3 S+ 0 0 78 -27,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.614 77.4 109.2 -71.1 -16.1 6.5 75.4 116.5 252 261 A F S < S- 0 0 6 -3,-1.9 -4,-0.1 1,-0.1 2,-0.1 -0.443 72.8-124.8 -64.4 131.4 7.6 79.1 115.9 253 262 A S > - 0 0 44 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.344 19.2-112.1 -73.4 161.7 10.7 80.0 118.0 254 263 A S H > S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.878 119.4 53.5 -62.2 -39.0 10.6 82.9 120.5 255 264 A D H > S+ 0 0 66 2,-0.2 4,-2.0 1,-0.2 32,-0.4 0.867 109.8 49.4 -63.0 -35.8 13.1 84.9 118.3 256 265 A L H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.958 111.4 46.5 -68.0 -51.6 10.9 84.3 115.3 257 266 A K H X S+ 0 0 53 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.863 112.5 52.3 -56.5 -41.8 7.6 85.5 117.0 258 267 A D H X S+ 0 0 68 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.952 111.3 44.7 -62.2 -52.1 9.5 88.6 118.4 259 268 A L H X S+ 0 0 0 -4,-2.0 4,-1.2 2,-0.2 3,-0.3 0.909 114.7 50.6 -55.6 -47.2 10.8 89.6 115.0 260 269 A L H >X S+ 0 0 0 -4,-2.8 4,-3.6 1,-0.2 3,-0.6 0.902 106.6 52.8 -61.2 -41.2 7.3 89.0 113.5 261 270 A R H 3< S+ 0 0 124 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.821 111.8 48.4 -62.5 -32.4 5.6 91.1 116.2 262 271 A N H 3< S+ 0 0 35 -4,-1.5 10,-2.5 -3,-0.3 3,-0.3 0.704 119.0 36.9 -81.7 -20.5 8.1 93.9 115.2 263 272 A L H << S+ 0 0 0 -4,-1.2 2,-1.2 -3,-0.6 -2,-0.2 0.841 112.6 56.6 -94.6 -43.6 7.5 93.6 111.4 264 273 A L S < S+ 0 0 11 -4,-3.6 2,-0.6 -5,-0.2 -1,-0.2 -0.233 82.7 141.4 -81.7 48.5 3.7 92.9 111.7 265 274 A Q - 0 0 48 -2,-1.2 6,-0.2 -3,-0.3 5,-0.1 -0.855 43.3-163.4-103.2 110.1 3.4 96.2 113.6 266 275 A V S S+ 0 0 65 -2,-0.6 2,-0.8 1,-0.1 -1,-0.1 0.859 74.8 81.0 -58.0 -40.9 0.3 98.3 112.9 267 276 A D >> - 0 0 51 1,-0.1 3,-2.3 2,-0.1 4,-1.0 -0.637 69.5-155.6 -81.3 113.3 2.0 101.4 114.5 268 277 A L T 34 S+ 0 0 54 -2,-0.8 -1,-0.1 1,-0.3 -2,-0.0 0.618 91.9 60.0 -58.2 -22.0 4.4 103.0 112.0 269 278 A T T 34 S+ 0 0 110 1,-0.2 -1,-0.3 6,-0.0 -2,-0.1 0.340 114.3 36.4 -90.4 3.3 6.5 104.6 114.8 270 279 A K T <4 S+ 0 0 116 -3,-2.3 2,-0.3 -5,-0.1 -2,-0.2 0.451 86.7 113.6-130.2 -13.2 7.3 101.0 116.2 271 280 A R S >< S- 0 0 0 -4,-1.0 3,-1.8 -6,-0.2 -8,-0.2 -0.531 71.6-113.4 -71.5 126.5 7.6 98.9 113.0 272 281 A F T 3 S+ 0 0 32 -10,-2.5 -7,-0.1 -2,-0.3 7,-0.1 -0.283 103.3 32.5 -59.1 137.9 11.1 97.5 112.4 273 282 A G T 3 S+ 0 0 1 5,-0.8 -1,-0.2 -61,-0.0 6,-0.2 -0.007 113.0 66.7 99.8 -20.8 12.8 98.9 109.2 274 283 A N S < S+ 0 0 43 -3,-1.8 -2,-0.2 4,-0.2 -3,-0.1 0.264 83.2 90.6-110.0 1.8 10.9 102.3 109.8 275 284 A L S > S- 0 0 57 3,-0.3 3,-1.3 -4,-0.2 -5,-0.1 -0.143 96.4 -79.4 -91.3-172.4 12.7 103.4 113.1 276 285 A K T 3 S+ 0 0 205 1,-0.3 -1,-0.0 2,-0.1 0, 0.0 0.885 129.6 45.4 -54.8 -50.6 15.9 105.5 113.8 277 286 A N T > S- 0 0 100 1,-0.2 3,-1.6 2,-0.1 4,-0.3 0.162 94.0-166.3 -83.4 13.7 18.4 102.7 113.0 278 287 A G T X + 0 0 19 -3,-1.3 3,-1.2 1,-0.3 -5,-0.8 0.018 65.5 3.3 40.2-122.8 16.4 101.7 109.9 279 288 A V T >> S+ 0 0 24 1,-0.2 4,-2.4 -6,-0.2 3,-1.1 0.726 120.1 74.6 -63.4 -26.5 17.4 98.3 108.3 280 289 A N H <> S+ 0 0 76 -3,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.730 84.1 65.5 -61.2 -24.7 19.9 97.5 111.2 281 290 A D H <4 S+ 0 0 33 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.829 111.9 36.0 -64.2 -34.0 16.9 96.8 113.6 282 291 A I H X4 S+ 0 0 0 -3,-1.1 3,-2.2 -4,-0.4 6,-0.3 0.944 116.9 51.4 -82.3 -55.1 16.1 93.8 111.4 283 292 A K H 3< S+ 0 0 27 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.809 115.3 42.6 -50.4 -41.0 19.7 92.9 110.5 284 293 A N T 3< S+ 0 0 127 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.238 86.6 123.1 -94.6 10.6 20.8 92.8 114.2 285 294 A H S X S- 0 0 18 -3,-2.2 3,-1.1 1,-0.1 -3,-0.1 -0.386 74.5-114.4 -71.1 153.7 17.7 91.0 115.5 286 295 A K G > S+ 0 0 151 1,-0.2 3,-1.9 2,-0.2 4,-0.2 0.818 113.9 63.1 -56.1 -36.9 18.3 87.7 117.4 287 296 A W G 3 S+ 0 0 3 -32,-0.4 3,-0.3 1,-0.3 -1,-0.2 0.820 108.3 42.5 -61.1 -30.4 16.5 85.6 114.7 288 297 A F G X S+ 0 0 2 -3,-1.1 3,-1.4 -6,-0.3 -1,-0.3 0.079 80.5 112.2-100.2 20.8 19.3 86.7 112.2 289 298 A A T < S+ 0 0 80 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.814 79.8 46.6 -66.0 -28.6 22.2 86.3 114.7 290 299 A T T 3 S+ 0 0 120 -3,-0.3 2,-0.6 -4,-0.2 -1,-0.3 0.362 90.3 111.3 -90.4 1.5 23.7 83.3 112.8 291 300 A T < - 0 0 23 -3,-1.4 2,-1.0 -8,-0.2 3,-0.1 -0.713 56.4-157.2 -82.8 119.7 23.3 85.3 109.5 292 301 A D > - 0 0 99 -2,-0.6 4,-1.8 1,-0.2 9,-0.1 -0.863 10.1-167.1 -94.4 98.7 26.6 86.4 107.9 293 302 A W H > S+ 0 0 36 -2,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.828 84.2 48.8 -57.9 -39.3 25.2 89.3 105.8 294 303 A I H > S+ 0 0 99 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.912 110.5 51.0 -68.6 -45.4 28.4 89.7 103.6 295 304 A A H 4>S+ 0 0 14 2,-0.2 5,-2.8 1,-0.2 6,-1.0 0.834 111.5 48.4 -63.2 -35.1 28.5 85.9 102.9 296 305 A I H ><5S+ 0 0 6 -4,-1.8 3,-1.3 3,-0.2 -2,-0.2 0.956 114.1 45.6 -66.3 -53.1 24.8 86.0 101.8 297 306 A Y H 3<5S+ 0 0 78 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.850 115.1 47.3 -56.2 -42.5 25.4 89.0 99.5 298 307 A Q T 3<5S- 0 0 100 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.438 111.5-125.4 -81.0 -2.6 28.6 87.4 98.1 299 308 A R T < 5S+ 0 0 52 -3,-1.3 -3,-0.2 -5,-0.2 -2,-0.1 0.764 72.2 129.8 62.1 32.9 26.6 84.2 97.6 300 309 A K < + 0 0 152 -5,-2.8 -4,-0.2 -6,-0.2 2,-0.1 0.706 41.0 98.2 -87.0 -24.9 29.2 82.2 99.7 301 310 A V S S- 0 0 46 -6,-1.0 2,-0.4 -9,-0.1 0, 0.0 -0.424 83.6-114.3 -68.1 136.4 26.5 80.5 102.0 302 311 A E - 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