==== 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 TRANSFERASE 11-JUL-98 1BL6 . COMPND 2 MOLECULE: PROTEIN (MAP KINASE P38); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.WANG,B.J.CANAGARAJAH,J.C.BOEHM,S.KASSIS,M.H.COBB, . 351 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17231.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 64.1 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 . 38 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 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 . 28 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 28.2 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+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 3 0 2 1 0 0 1 0 1 0 1 0 2 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 . 0 3 2 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 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 4 A E 0 0 235 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -57.3 26.4 2.5 24.4 2 5 A R - 0 0 103 2,-0.0 89,-0.0 0, 0.0 0, 0.0 0.278 360.0-144.5 138.4 92.2 24.2 4.1 21.7 3 6 A P - 0 0 70 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.105 29.2 -94.1 -70.5 171.2 21.0 2.4 20.3 4 7 A T - 0 0 80 2,-0.0 15,-2.5 0, 0.0 2,-0.2 -0.764 38.8-156.4 -91.0 125.8 19.8 2.6 16.8 5 8 A F E -A 18 0A 32 -2,-0.5 2,-0.4 13,-0.3 11,-0.1 -0.636 2.2-153.1 -97.9 158.4 17.2 5.3 16.1 6 9 A Y E -A 17 0A 60 11,-2.6 11,-1.3 -2,-0.2 2,-0.0 -0.984 12.6-136.9-137.8 122.0 14.7 5.2 13.3 7 10 A R + 0 0 169 -2,-0.4 2,-0.2 9,-0.2 9,-0.2 -0.311 33.6 155.1 -71.1 158.0 13.3 8.4 11.8 8 11 A Q - 0 0 59 7,-0.2 7,-3.3 2,-0.0 2,-0.4 -0.722 35.0-126.9 175.0 133.9 9.5 8.6 11.1 9 12 A E E +B 14 0B 125 5,-0.2 2,-0.4 -2,-0.2 5,-0.2 -0.791 24.3 177.5 -97.6 132.4 6.9 11.4 10.7 10 13 A L E > S-B 13 0B 24 3,-3.1 3,-2.1 -2,-0.4 15,-0.0 -0.996 73.1 -12.3-133.9 126.1 3.7 11.3 12.7 11 14 A N T 3 S- 0 0 121 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.903 127.9 -58.2 49.9 44.2 1.0 14.0 12.5 12 15 A K T 3 S+ 0 0 187 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.668 116.9 114.9 60.4 20.3 3.6 16.2 10.7 13 16 A T E < -B 10 0B 38 -3,-2.1 -3,-3.1 2,-0.0 2,-0.5 -0.962 66.2-129.5-116.6 134.3 6.0 15.9 13.7 14 17 A I E -B 9 0B 50 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.2 -0.765 21.4-166.3 -89.7 126.2 9.3 14.0 13.1 15 18 A W - 0 0 3 -7,-3.3 2,-0.8 -2,-0.5 -7,-0.2 -0.946 9.2-177.3-115.3 114.9 10.0 11.3 15.7 16 19 A E + 0 0 55 -2,-0.6 -9,-0.2 -9,-0.2 -11,-0.0 -0.863 25.3 157.0-111.3 93.3 13.5 10.0 15.8 17 20 A V E -A 6 0A 0 -11,-1.3 -11,-2.6 -2,-0.8 -2,-0.0 -0.796 46.3 -92.7-119.6 159.0 13.4 7.3 18.5 18 21 A P E > -A 5 0A 2 0, 0.0 3,-1.4 0, 0.0 -13,-0.3 -0.262 42.0-110.5 -62.9 158.6 15.5 4.1 19.3 19 22 A E T 3 S+ 0 0 104 -15,-2.5 22,-0.2 1,-0.3 -14,-0.1 0.672 108.2 79.1 -68.2 -15.7 14.2 0.9 17.8 20 23 A R T 3 S+ 0 0 47 -16,-0.2 21,-2.9 20,-0.1 2,-0.6 0.793 83.9 74.0 -61.4 -25.7 13.1 -0.5 21.2 21 24 A Y E < S+C 40 0C 1 -3,-1.4 2,-0.3 19,-0.2 19,-0.2 -0.816 70.8 174.5 -94.4 122.7 10.1 1.7 20.9 22 25 A Q E +C 39 0C 71 17,-2.7 17,-3.0 -2,-0.6 3,-0.1 -0.856 46.2 26.9-129.0 162.0 7.6 0.4 18.4 23 26 A N E S- 0 0 116 -2,-0.3 2,-0.3 15,-0.2 -1,-0.2 0.949 71.2-160.2 52.5 58.6 4.1 1.1 17.0 24 27 A L E - 0 0 16 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.546 12.4-177.5 -68.9 124.2 4.2 4.8 17.8 25 28 A S E -C 37 0C 58 12,-2.8 12,-2.7 -2,-0.3 -15,-0.0 -0.970 29.6-113.9-132.7 116.5 0.7 6.1 17.9 26 29 A P E +C 36 0C 51 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.135 33.6 175.3 -45.7 136.5 -0.2 9.8 18.4 27 30 A V - 0 0 82 8,-2.0 9,-0.2 1,-0.1 -2,-0.0 -0.008 60.6 -46.4-139.2 32.1 -2.0 10.3 21.7 28 31 A G - 0 0 48 7,-0.4 2,-0.7 1,-0.1 7,-0.3 0.540 47.5-139.9 104.5 112.6 -2.4 14.1 22.0 29 32 A S - 0 0 84 5,-0.2 5,-0.3 -3,-0.1 2,-0.1 -0.871 21.0-171.9-106.3 109.2 0.1 16.9 21.5 30 33 A G - 0 0 32 3,-1.8 -2,-0.0 -2,-0.7 5,-0.0 -0.312 41.9-101.1 -87.5 176.7 -0.1 19.8 24.0 31 34 A A S S+ 0 0 101 1,-0.2 22,-0.2 -2,-0.1 3,-0.1 0.836 124.1 56.9 -67.1 -31.4 1.8 23.1 23.7 32 35 A Y S S- 0 0 69 1,-0.3 21,-0.8 21,-0.1 2,-0.3 0.898 126.5 -29.9 -65.5 -41.4 4.3 21.7 26.2 33 36 A G E - D 0 52C 0 19,-0.2 -3,-1.8 20,-0.1 2,-0.3 -0.951 57.5-100.2-176.3 154.3 5.0 18.6 24.1 34 37 A S E - D 0 51C 18 17,-2.1 17,-3.1 -2,-0.3 2,-0.3 -0.603 41.6-153.5 -78.5 136.7 3.9 16.1 21.5 35 38 A V E + D 0 50C 19 -7,-0.3 -8,-2.0 -2,-0.3 -7,-0.4 -0.900 15.1 179.6-120.1 149.3 2.9 12.7 23.0 36 39 A C E -CD 26 49C 1 13,-1.2 13,-3.0 -2,-0.3 2,-0.4 -0.983 21.8-137.0-141.6 149.0 2.8 9.2 21.6 37 40 A A E +CD 25 48C 4 -12,-2.7 -12,-2.8 -2,-0.3 2,-0.3 -0.818 37.3 159.3-102.9 147.0 1.9 5.8 22.9 38 41 A A E - D 0 47C 0 9,-2.4 9,-3.8 -2,-0.4 2,-0.5 -0.977 41.8-108.0-159.9 168.6 4.2 3.0 22.0 39 42 A F E -CD 22 46C 79 -17,-3.0 -17,-2.7 -2,-0.3 2,-1.0 -0.926 25.0-147.6-108.2 127.5 5.4 -0.5 23.0 40 43 A D E >> -C 21 0C 0 5,-2.7 4,-2.7 -2,-0.5 3,-1.0 -0.805 5.9-163.6 -97.7 99.5 8.8 -0.7 24.6 41 44 A T T 34 S+ 0 0 73 -21,-2.9 -1,-0.2 -2,-1.0 -20,-0.1 0.790 84.4 57.4 -52.4 -31.9 10.2 -4.1 23.5 42 45 A K T 34 S+ 0 0 147 -22,-0.2 -1,-0.2 1,-0.2 -21,-0.1 0.798 119.3 24.4 -73.5 -31.1 12.9 -3.9 26.3 43 46 A T T <4 S- 0 0 29 -3,-1.0 -2,-0.2 2,-0.2 -1,-0.2 0.668 97.5-126.8-104.5 -24.9 10.6 -3.6 29.3 44 47 A G < + 0 0 47 -4,-2.7 2,-0.2 1,-0.3 -3,-0.1 0.389 67.3 127.5 92.3 -1.9 7.5 -5.2 27.9 45 48 A L - 0 0 60 -5,-0.4 -5,-2.7 -6,-0.0 2,-0.5 -0.482 65.5-123.0 -89.1 154.5 5.4 -2.1 28.9 46 49 A R E -D 39 0C 120 -7,-0.2 59,-2.0 -2,-0.2 -7,-0.3 -0.853 48.1-166.9 -89.1 130.3 3.1 0.0 26.7 47 50 A V E -DE 38 104C 0 -9,-3.8 -9,-2.4 -2,-0.5 2,-0.5 -0.767 28.9-127.6-124.8 170.6 4.6 3.5 27.2 48 51 A A E -DE 37 103C 18 55,-3.0 55,-1.7 -2,-0.3 2,-0.6 -0.971 22.4-166.3-114.5 122.8 4.1 7.2 26.6 49 52 A V E -DE 36 102C 1 -13,-3.0 -13,-1.2 -2,-0.5 2,-0.5 -0.946 4.3-164.2-114.8 111.7 6.9 9.0 24.8 50 53 A K E -DE 35 101C 33 51,-2.7 51,-2.0 -2,-0.6 2,-0.8 -0.838 6.0-156.0 -99.4 126.5 6.7 12.8 25.0 51 54 A K E -DE 34 100C 26 -17,-3.1 -17,-2.1 -2,-0.5 49,-0.2 -0.881 18.3-135.8-100.8 109.7 8.8 14.8 22.5 52 55 A L E -DE 33 99C 11 47,-2.5 47,-0.6 -2,-0.8 -19,-0.2 -0.489 15.6-144.1 -65.9 132.2 9.4 18.2 24.0 53 56 A S S S- 0 0 41 -21,-0.8 -1,-0.1 1,-0.2 -20,-0.1 0.993 78.2 -4.1 -59.0 -83.0 8.8 20.8 21.2 54 57 A R S > S+ 0 0 152 -22,-0.2 3,-0.9 1,-0.1 -1,-0.2 -0.820 71.8 174.8-120.0 84.4 11.3 23.7 21.5 55 58 A P T 3 S+ 0 0 4 0, 0.0 10,-0.4 0, 0.0 11,-0.2 0.723 78.6 28.9 -65.2 -25.9 13.2 22.8 24.8 56 59 A F T 3 S+ 0 0 15 41,-0.2 279,-0.1 1,-0.1 278,-0.0 -0.022 76.5 120.3-129.5 32.3 15.8 25.6 24.6 57 60 A Q S < S+ 0 0 98 -3,-0.9 2,-0.3 1,-0.1 -1,-0.1 0.331 87.3 6.3 -77.9 7.4 13.9 28.3 22.7 58 61 A S S > S- 0 0 24 -3,-0.1 4,-3.3 1,-0.1 5,-0.3 -0.941 79.7-101.9-178.6 159.0 14.4 30.6 25.7 59 62 A I H > S+ 0 0 78 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.900 122.8 47.0 -60.5 -39.2 16.1 30.8 29.1 60 63 A I H > S+ 0 0 105 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.881 116.4 42.1 -71.2 -39.6 12.7 30.0 30.8 61 64 A H H > S+ 0 0 66 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.957 115.1 51.1 -69.7 -49.8 11.9 27.1 28.5 62 65 A A H X S+ 0 0 0 -4,-3.3 4,-1.9 1,-0.3 -2,-0.2 0.858 114.4 44.4 -53.7 -38.1 15.4 25.8 28.7 63 66 A K H X S+ 0 0 36 -4,-1.9 4,-2.6 -5,-0.3 -1,-0.3 0.813 111.5 52.8 -77.6 -30.9 15.2 26.0 32.5 64 67 A R H X S+ 0 0 41 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.928 109.7 49.0 -67.9 -44.9 11.7 24.4 32.5 65 68 A T H X S+ 0 0 10 -4,-3.2 4,-2.4 -10,-0.4 5,-0.2 0.966 113.5 46.1 -57.2 -54.4 13.1 21.5 30.5 66 69 A Y H X S+ 0 0 15 -4,-1.9 4,-2.4 -5,-0.2 5,-0.2 0.923 112.8 51.5 -54.8 -46.2 16.0 21.1 32.8 67 70 A R H X S+ 0 0 29 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.911 110.1 48.2 -57.9 -46.5 13.7 21.4 35.8 68 71 A E H X S+ 0 0 28 -4,-3.1 4,-3.0 2,-0.2 5,-0.2 0.882 112.2 47.1 -64.6 -42.1 11.3 18.7 34.4 69 72 A L H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.916 113.4 48.6 -66.2 -43.1 14.1 16.2 33.6 70 73 A R H X S+ 0 0 37 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.908 115.3 46.7 -60.4 -44.2 15.7 16.7 37.0 71 74 A L H >X S+ 0 0 5 -4,-2.3 4,-1.9 -5,-0.2 3,-0.5 0.953 114.8 43.3 -63.2 -54.9 12.3 16.3 38.6 72 75 A L H 3< S+ 0 0 16 -4,-3.0 11,-0.7 1,-0.2 -2,-0.2 0.839 111.3 57.3 -62.0 -33.5 11.3 13.2 36.7 73 76 A K H 3< S+ 0 0 34 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.821 110.1 43.4 -68.4 -30.2 14.8 11.7 37.2 74 77 A H H << S+ 0 0 37 -4,-1.3 2,-0.6 -3,-0.5 244,-0.2 0.817 87.7 99.5 -84.5 -33.6 14.4 12.0 41.0 75 78 A M < + 0 0 3 -4,-1.9 8,-0.5 -5,-0.1 2,-0.2 -0.412 38.2 156.9 -63.9 108.5 10.9 10.7 41.4 76 79 A K + 0 0 129 -2,-0.6 2,-0.3 6,-0.1 -1,-0.1 -0.627 26.8 112.3-134.4 76.1 11.0 7.0 42.4 77 80 A H > - 0 0 18 3,-0.4 3,-1.9 -2,-0.2 57,-0.1 -0.992 69.3-120.8-146.7 145.1 7.8 6.0 44.2 78 81 A E T 3 S+ 0 0 130 -2,-0.3 4,-0.1 1,-0.3 56,-0.1 0.750 114.6 46.3 -57.3 -27.2 4.9 3.6 43.2 79 82 A N T 3 S+ 0 0 5 83,-0.1 84,-2.5 2,-0.1 2,-0.4 0.221 104.1 71.7-103.6 14.9 2.5 6.5 43.5 80 83 A V B < S-g 163 0D 0 -3,-1.9 -3,-0.4 82,-0.3 84,-0.2 -0.970 92.5 -94.5-130.9 146.0 4.4 9.1 41.5 81 84 A I - 0 0 29 82,-2.8 2,-0.3 -2,-0.4 -6,-0.1 -0.326 47.3-157.9 -57.1 131.6 5.2 9.4 37.8 82 85 A G - 0 0 16 -4,-0.1 2,-0.7 -6,-0.1 22,-0.2 -0.782 18.3-116.9-115.8 160.0 8.6 7.8 37.0 83 86 A L + 0 0 12 -11,-0.7 20,-0.2 -8,-0.5 3,-0.1 -0.837 26.5 176.4 -96.3 111.6 11.1 8.2 34.3 84 87 A L S S- 0 0 13 18,-2.2 2,-0.3 -2,-0.7 19,-0.2 0.814 70.6 -24.4 -80.7 -30.4 11.6 4.9 32.4 85 88 A D E -F 102 0C 20 17,-1.3 17,-2.9 262,-0.1 -1,-0.3 -0.973 51.0-159.0-173.8 158.9 14.0 6.5 29.9 86 89 A V E +F 101 0C 6 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.973 25.8 160.2-147.5 142.3 15.1 9.8 28.3 87 90 A F E -F 100 0C 15 13,-1.8 13,-2.0 -2,-0.3 256,-0.1 -0.988 26.5-151.3-160.8 168.0 17.0 10.2 25.0 88 91 A T - 0 0 9 -2,-0.3 11,-0.1 11,-0.2 8,-0.1 -0.993 23.4-134.8-145.5 141.8 18.0 12.3 22.1 89 92 A P S S+ 0 0 15 0, 0.0 -84,-0.1 0, 0.0 7,-0.1 0.806 76.5 108.2 -65.9 -26.4 18.9 11.5 18.5 90 93 A A - 0 0 9 8,-0.2 -2,-0.2 1,-0.1 6,-0.1 -0.229 54.2-163.4 -56.9 131.4 21.9 13.8 18.8 91 94 A R S S+ 0 0 180 1,-0.1 2,-0.3 -89,-0.0 -1,-0.1 0.569 76.7 35.7 -90.3 -11.9 25.4 12.2 18.9 92 95 A S S >> S- 0 0 28 1,-0.1 4,-1.5 0, 0.0 3,-0.6 -0.970 79.1-120.0-140.8 156.3 26.9 15.5 20.2 93 96 A L T 34 S+ 0 0 56 -2,-0.3 -1,-0.1 1,-0.2 246,-0.1 0.776 114.4 66.5 -63.1 -23.0 26.0 18.4 22.5 94 97 A E T 34 S+ 0 0 161 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.896 112.4 27.0 -66.1 -43.5 26.6 20.4 19.4 95 98 A E T <4 S+ 0 0 103 -3,-0.6 2,-0.3 -6,-0.0 -1,-0.2 0.501 91.5 126.0 -97.0 -4.1 23.7 18.9 17.5 96 99 A F < + 0 0 0 -4,-1.5 3,-0.1 1,-0.2 243,-0.1 -0.360 21.3 128.9 -57.2 115.0 21.8 18.2 20.8 97 100 A N + 0 0 81 -2,-0.3 2,-0.4 1,-0.2 -41,-0.2 0.407 48.1 65.6-150.2 -1.8 18.4 19.8 20.3 98 101 A D - 0 0 40 -3,-0.1 2,-0.4 -44,-0.1 -1,-0.2 -0.977 53.6-161.1-131.8 144.5 15.6 17.5 21.1 99 102 A V E -E 52 0C 1 -47,-0.6 -47,-2.5 -2,-0.4 2,-0.4 -0.991 5.6-173.7-128.2 129.6 14.4 15.8 24.3 100 103 A Y E -EF 51 87C 2 -13,-2.0 -13,-1.8 -2,-0.4 2,-0.4 -0.951 5.2-164.7-119.8 140.4 12.2 12.7 24.5 101 104 A L E -EF 50 86C 10 -51,-2.0 -51,-2.7 -2,-0.4 2,-0.4 -0.985 2.5-159.3-129.1 137.9 10.9 11.3 27.8 102 105 A V E +EF 49 85C 1 -17,-2.9 -18,-2.2 -2,-0.4 -17,-1.3 -0.925 19.2 154.2-119.2 141.9 9.4 7.9 28.4 103 106 A T E -E 48 0C 23 -55,-1.7 -55,-3.0 -2,-0.4 -20,-0.1 -0.975 53.6 -65.9-157.4 158.9 7.1 6.7 31.2 104 107 A H E -E 47 0C 62 -2,-0.3 2,-0.5 -22,-0.2 -57,-0.2 -0.220 57.0-112.4 -50.9 130.7 4.4 4.0 31.7 105 108 A L - 0 0 55 -59,-2.0 2,-0.5 -67,-0.2 -59,-0.1 -0.570 31.9-152.6 -67.4 116.2 1.4 4.8 29.6 106 109 A M - 0 0 62 -2,-0.5 3,-0.1 1,-0.2 50,-0.1 -0.849 4.8-158.5 -95.5 126.9 -1.3 5.7 32.1 107 110 A G + 0 0 78 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.999 61.4 7.1 -68.7 -73.7 -4.8 4.9 30.7 108 111 A A E -H 155 0D 35 47,-0.8 47,-2.1 3,-0.0 -1,-0.2 -0.812 66.0-136.5-114.5 156.0 -7.5 6.9 32.5 109 112 A D E > -H 154 0D 41 -2,-0.3 4,-1.3 45,-0.3 45,-0.2 -0.365 39.9 -89.3 -99.1-176.5 -7.3 9.7 35.0 110 113 A L H > S+ 0 0 0 40,-1.8 4,-1.9 43,-1.7 5,-0.3 0.773 121.5 65.6 -65.5 -26.1 -9.3 10.3 38.2 111 114 A N H >> S+ 0 0 36 39,-0.5 4,-3.3 2,-0.2 3,-1.1 0.996 98.4 50.7 -57.2 -64.9 -11.9 12.2 36.2 112 115 A N H 3> S+ 0 0 77 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.860 111.5 50.7 -36.8 -50.6 -12.9 9.1 34.2 113 116 A I H 3< S+ 0 0 51 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.843 120.8 30.3 -62.3 -38.8 -13.3 7.2 37.4 114 117 A V H X< S+ 0 0 6 -4,-1.9 3,-2.5 -3,-1.1 -2,-0.2 0.775 94.3 90.0 -91.9 -29.4 -15.5 9.7 39.3 115 118 A K H 3< S+ 0 0 148 -4,-3.3 -1,-0.1 1,-0.3 -2,-0.1 0.751 86.4 55.4 -35.6 -38.2 -17.4 11.3 36.3 116 119 A C T 3< S- 0 0 103 -4,-0.6 -1,-0.3 -5,-0.2 2,-0.3 0.690 122.5 -61.2 -76.0 -22.7 -20.1 8.6 36.7 117 120 A Q S < S- 0 0 150 -3,-2.5 -1,-0.2 -4,-0.1 99,-0.2 -0.944 70.8 -48.1 161.6-177.9 -21.1 9.2 40.4 118 121 A K - 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0 0 42 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.490 30.0-145.1 -68.9 139.6 -17.0 19.6 42.6 219 222 A L S S+ 0 0 35 -11,-0.3 -1,-0.1 1,-0.2 -34,-0.1 0.958 86.1 15.0 -74.3 -51.8 -16.5 21.3 46.0 220 223 A F + 0 0 5 -36,-0.4 2,-2.3 2,-0.1 -1,-0.2 -0.551 67.8 169.4-124.7 68.8 -15.7 24.9 45.0 221 224 A P - 0 0 37 0, 0.0 -40,-0.1 0, 0.0 -3,-0.0 -0.409 19.4-178.0 -80.0 69.3 -16.7 25.4 41.4 222 225 A G - 0 0 0 -2,-2.3 -42,-0.3 1,-0.1 -39,-0.1 -0.329 31.7-138.7 -68.3 151.5 -16.3 29.1 41.4 223 226 A T S S- 0 0 72 -44,-0.2 2,-0.3 1,-0.1 -44,-0.1 0.524 85.7 -6.5 -86.1 -8.5 -17.1 31.1 38.2 224 227 A D S > S- 0 0 66 -47,-0.1 4,-2.0 -45,-0.1 5,-0.2 -0.936 92.2 -76.7-168.5 176.3 -14.1 33.3 38.8 225 228 A H H > S+ 0 0 56 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.857 127.5 41.8 -53.9 -42.6 -11.4 33.9 41.4 226 229 A I H > S+ 0 0 57 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.869 111.2 53.0 -74.6 -43.4 -13.7 35.9 43.7 227 230 A D H > S+ 0 0 52 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.892 111.7 49.7 -60.0 -38.6 -16.8 33.7 43.4 228 231 A Q H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.882 108.1 50.1 -68.6 -41.2 -14.5 30.8 44.4 229 232 A L H X S+ 0 0 0 -4,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.887 110.4 52.6 -64.2 -36.8 -13.0 32.5 47.4 230 233 A K H X S+ 0 0 94 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.901 107.9 49.7 -64.6 -40.9 -16.6 33.3 48.4 231 234 A L H X S+ 0 0 45 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.865 112.9 48.9 -64.5 -36.5 -17.6 29.6 48.1 232 235 A I H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.888 110.7 47.8 -70.2 -42.8 -14.5 28.7 50.2 233 236 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.768 104.9 60.6 -72.0 -24.8 -15.1 31.2 53.0 234 237 A R H < S+ 0 0 141 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.873 116.2 32.9 -69.4 -33.2 -18.8 30.1 53.2 235 238 A L H < S+ 0 0 5 -4,-1.0 30,-2.6 -3,-0.2 -2,-0.2 0.889 130.8 31.6 -86.4 -43.4 -17.6 26.6 54.1 236 239 A V H < S- 0 0 14 -4,-2.9 28,-0.2 28,-0.2 52,-0.2 0.574 107.9-117.2 -94.5 -11.6 -14.5 27.3 56.0 237 240 A G < - 0 0 5 -4,-1.8 -1,-0.2 26,-0.3 -3,-0.1 0.038 39.0 -68.6 87.5 156.3 -15.4 30.7 57.6 238 241 A T - 0 0 24 24,-1.8 26,-0.1 1,-0.1 50,-0.1 -0.404 66.1 -79.2 -78.4 158.4 -13.6 34.0 57.0 239 242 A P - 0 0 8 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.122 41.2-139.5 -58.1 150.9 -10.1 34.6 58.2 240 243 A G > - 0 0 42 -3,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.424 34.3 -93.4 -99.6 179.9 -9.3 35.5 61.8 241 244 A A H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.901 124.1 58.9 -62.5 -40.9 -6.8 38.0 63.1 242 245 A E H 4 S+ 0 0 107 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.941 113.2 37.1 -52.9 -53.0 -4.1 35.3 63.4 243 246 A L H >4 S+ 0 0 9 1,-0.2 3,-2.6 2,-0.2 4,-0.3 0.919 111.7 58.9 -65.7 -47.1 -4.4 34.5 59.7 244 247 A L H >< S+ 0 0 20 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.851 96.7 62.5 -51.6 -38.4 -4.9 38.0 58.5 245 248 A K T 3< S+ 0 0 185 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.548 102.4 54.0 -64.4 -8.8 -1.5 39.0 60.1 246 249 A K T < S+ 0 0 63 -3,-2.6 2,-0.7 -5,-0.1 -1,-0.3 0.426 80.8 98.3-107.3 -2.7 0.1 36.6 57.6 247 250 A I < - 0 0 2 -3,-1.6 -52,-0.2 -4,-0.3 6,-0.2 -0.806 58.3-159.0 -91.0 115.7 -1.3 37.9 54.4 248 251 A S + 0 0 73 -54,-1.5 -1,-0.2 -2,-0.7 -53,-0.1 0.965 65.9 83.7 -57.3 -63.7 1.3 40.2 52.7 249 252 A S > - 0 0 46 -55,-0.8 4,-2.4 -56,-0.3 5,-0.2 -0.187 62.9-156.3 -48.3 117.7 -0.8 42.3 50.4 250 253 A E H > S+ 0 0 126 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.818 99.8 55.7 -65.5 -23.9 -2.2 45.2 52.4 251 254 A S H > S+ 0 0 87 2,-0.2 4,-3.3 3,-0.2 -1,-0.2 0.920 104.8 48.4 -71.5 -45.0 -4.8 45.1 49.5 252 255 A A H > S+ 0 0 12 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.944 113.7 47.7 -60.6 -47.1 -5.7 41.5 50.1 253 256 A R H X S+ 0 0 84 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.911 113.2 49.5 -58.8 -42.1 -6.1 42.1 53.9 254 257 A N H < S+ 0 0 85 -4,-1.9 4,-0.4 -5,-0.2 -2,-0.2 0.937 113.2 45.9 -61.0 -49.4 -8.2 45.2 53.0 255 258 A Y H >< S+ 0 0 72 -4,-3.3 3,-2.0 1,-0.2 4,-0.5 0.953 112.4 49.5 -59.2 -54.0 -10.3 43.2 50.6 256 259 A I H >< S+ 0 0 6 -4,-3.2 3,-1.4 1,-0.3 -1,-0.2 0.869 107.3 56.5 -52.9 -42.4 -10.8 40.3 53.0 257 260 A Q T 3< S+ 0 0 141 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.567 97.1 63.4 -69.8 -8.2 -11.7 42.7 55.8 258 261 A S T < S+ 0 0 82 -3,-2.0 2,-0.3 -4,-0.4 -1,-0.3 0.624 85.3 93.5 -89.3 -12.9 -14.5 44.1 53.7 259 262 A L S < S- 0 0 27 -3,-1.4 3,-0.1 -4,-0.5 2,-0.0 -0.615 89.1-107.3 -83.5 136.1 -16.3 40.7 53.7 260 263 A T - 0 0 126 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.388 46.7-106.4 -61.2 132.0 -19.0 40.0 56.3 261 264 A Q - 0 0 161 -4,-0.1 -1,-0.1 -24,-0.1 -21,-0.0 -0.347 40.3-166.7 -64.2 142.8 -17.4 37.6 58.7 262 265 A M - 0 0 63 -3,-0.1 -24,-1.8 -23,-0.1 2,-0.1 -0.981 14.7-125.7-132.7 146.5 -18.7 34.0 58.5 263 266 A P - 0 0 103 0, 0.0 -26,-0.3 0, 0.0 2,-0.1 -0.433 37.7 -91.3 -87.3 163.2 -18.3 31.0 60.8 264 267 A K - 0 0 107 -28,-0.2 -28,-0.2 -2,-0.1 2,-0.1 -0.424 47.6-125.5 -67.2 146.8 -17.0 27.6 59.8 265 268 A M - 0 0 56 -30,-2.6 2,-0.8 -2,-0.1 -1,-0.1 -0.456 24.0 -97.1 -90.3 170.4 -19.8 25.3 58.7 266 269 A N > - 0 0 88 1,-0.2 3,-1.0 -2,-0.1 4,-0.5 -0.790 29.2-159.2 -87.5 110.4 -20.6 21.9 60.0 267 270 A F G >> S+ 0 0 0 -2,-0.8 4,-3.7 1,-0.3 3,-1.0 0.820 90.9 63.4 -61.5 -30.0 -19.0 19.5 57.6 268 271 A A G 34 S+ 0 0 48 1,-0.3 5,-0.3 2,-0.2 -1,-0.3 0.828 105.7 45.4 -61.5 -33.3 -21.3 16.7 58.8 269 272 A N G <4 S+ 0 0 115 -3,-1.0 -1,-0.3 3,-0.1 3,-0.3 0.492 116.1 46.7 -86.5 -8.5 -24.1 18.8 57.4 270 273 A V T <4 S+ 0 0 51 -3,-1.0 2,-0.9 -4,-0.5 -2,-0.2 0.839 117.8 39.4 -95.9 -50.3 -22.3 19.5 54.2 271 274 A F S >< S- 0 0 7 -4,-3.7 3,-2.0 -5,-0.1 -1,-0.2 -0.491 89.6-163.7 -98.3 62.8 -21.2 15.9 53.5 272 275 A I T 3 + 0 0 122 -2,-0.9 -3,-0.1 -3,-0.3 -4,-0.1 -0.195 68.3 6.1 -52.7 126.3 -24.4 14.2 54.6 273 276 A G T 3 S+ 0 0 83 -5,-0.3 -1,-0.3 1,-0.3 2,-0.2 0.498 91.7 138.5 81.2 4.0 -24.0 10.5 55.2 274 277 A A < - 0 0 24 -3,-2.0 -1,-0.3 -6,-0.2 5,-0.1 -0.511 68.8 -85.5 -82.2 151.6 -20.3 10.3 54.8 275 278 A N >> - 0 0 48 -2,-0.2 3,-1.9 1,-0.2 4,-1.9 -0.371 37.9-129.7 -56.4 122.2 -18.2 8.2 57.1 276 279 A P H 3> S+ 0 0 100 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.729 108.4 57.1 -45.4 -32.6 -17.4 10.4 60.2 277 280 A L H 3> S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 27,-0.2 0.843 107.2 49.5 -70.9 -32.4 -13.7 9.6 59.9 278 281 A A H <> S+ 0 0 0 -3,-1.9 4,-2.5 2,-0.2 5,-0.2 0.943 112.2 47.0 -68.6 -49.6 -13.8 11.0 56.4 279 282 A V H X S+ 0 0 9 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.942 111.2 51.3 -58.5 -47.4 -15.6 14.1 57.5 280 283 A D H X S+ 0 0 53 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.935 111.5 48.3 -55.6 -46.6 -13.1 14.6 60.4 281 284 A L H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 3,-0.3 0.877 109.1 52.4 -62.2 -39.2 -10.2 14.2 57.9 282 285 A L H >X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 3,-0.5 0.915 105.9 54.6 -63.6 -42.1 -11.7 16.7 55.5 283 286 A E H 3< S+ 0 0 60 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.800 109.5 48.8 -60.8 -28.5 -12.1 19.2 58.3 284 287 A K H 3< S+ 0 0 86 -4,-1.1 10,-1.8 -3,-0.3 -1,-0.2 0.688 116.4 41.3 -84.4 -21.6 -8.3 18.8 59.0 285 288 A M H << S+ 0 0 0 -4,-1.2 2,-1.6 -3,-0.5 -2,-0.2 0.853 107.0 60.6 -90.8 -44.0 -7.3 19.3 55.4 286 289 A L S < S+ 0 0 4 -4,-3.1 2,-0.5 -5,-0.2 -1,-0.2 -0.430 72.0 140.6 -85.6 63.0 -9.7 22.1 54.4 287 290 A V - 0 0 40 -2,-1.6 6,-0.1 -3,-0.2 5,-0.1 -0.912 50.6-141.4-108.6 130.8 -8.3 24.7 57.0 288 291 A L S S+ 0 0 16 -2,-0.5 2,-0.5 -52,-0.2 -99,-0.2 0.916 88.3 71.6 -56.0 -48.6 -8.0 28.3 55.9 289 292 A D S > S- 0 0 15 1,-0.2 3,-0.7 3,-0.1 4,-0.2 -0.602 71.8-157.2 -72.2 117.0 -4.7 28.9 57.7 290 293 A S G > S+ 0 0 8 -2,-0.5 3,-1.0 1,-0.2 -1,-0.2 0.785 90.1 62.3 -67.6 -27.1 -2.1 26.9 55.7 291 294 A D G 3 S+ 0 0 109 1,-0.2 -1,-0.2 -3,-0.0 -2,-0.1 0.804 107.5 44.5 -66.8 -29.7 0.2 26.7 58.8 292 295 A K G < S+ 0 0 116 -3,-0.7 -1,-0.2 -5,-0.1 -2,-0.2 0.315 86.8 115.5 -98.4 6.9 -2.5 24.7 60.6 293 296 A R S < S- 0 0 9 -3,-1.0 -8,-0.2 -4,-0.2 2,-0.1 -0.450 74.2-102.9 -75.0 152.6 -3.4 22.4 57.7 294 297 A I - 0 0 16 -10,-1.8 2,-0.2 -13,-0.1 -1,-0.1 -0.402 35.8-122.7 -73.9 150.2 -2.7 18.7 58.3 295 298 A T > - 0 0 56 1,-0.1 4,-3.4 -2,-0.1 5,-0.2 -0.590 17.5-115.4 -93.9 159.6 0.4 17.1 56.6 296 299 A A H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.946 119.5 49.5 -54.2 -50.1 0.6 14.2 54.2 297 300 A A H > S+ 0 0 52 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.879 113.7 45.4 -58.0 -40.8 2.5 12.2 56.8 298 301 A Q H > S+ 0 0 114 2,-0.2 4,-0.5 1,-0.2 3,-0.4 0.910 110.0 53.9 -70.3 -42.5 0.0 13.1 59.5 299 302 A A H >< S+ 0 0 0 -4,-3.4 3,-1.5 1,-0.2 6,-0.3 0.881 101.8 59.0 -58.7 -41.4 -3.0 12.3 57.3 300 303 A L H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 5,-0.2 0.882 104.3 51.6 -55.9 -38.6 -1.6 8.8 56.6 301 304 A A H 3< S+ 0 0 64 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.617 86.5 115.7 -74.7 -11.8 -1.7 8.2 60.3 302 305 A H S X< S- 0 0 21 -3,-1.5 3,-1.9 -4,-0.5 7,-0.1 -0.300 79.6-117.8 -60.6 143.9 -5.3 9.3 60.5 303 306 A A G > S+ 0 0 57 1,-0.3 3,-0.8 2,-0.1 4,-0.2 0.479 105.3 79.2 -62.7 -2.8 -7.8 6.6 61.5 304 307 A Y G 3 S+ 0 0 4 -5,-0.2 -1,-0.3 1,-0.2 3,-0.3 0.765 96.7 43.5 -77.7 -22.6 -9.5 6.9 58.1 305 308 A F G X> S+ 0 0 0 -3,-1.9 4,-3.8 -6,-0.3 3,-1.5 -0.063 72.0 124.5-110.1 30.1 -6.7 4.8 56.5 306 309 A A T <4 S+ 0 0 69 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.875 73.6 56.6 -55.0 -39.7 -6.4 2.1 59.2 307 310 A Q T 34 S+ 0 0 149 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.655 123.8 21.7 -68.5 -16.7 -7.1 -0.5 56.5 308 311 A Y T <4 S+ 0 0 72 -3,-1.5 -2,-0.2 -8,-0.1 -1,-0.2 0.623 90.0 113.8-124.4 -22.5 -4.1 0.7 54.4 309 312 A H < + 0 0 63 -4,-3.8 5,-0.1 -7,-0.1 3,-0.1 -0.313 26.7 159.8 -62.2 130.5 -1.7 2.6 56.7 310 313 A D > - 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