==== 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 02-OCT-09 3K3I . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.L.KAZMIRSKI,J.P.DINITTO . 332 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16960.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 63.0 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 . 43 13.0 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 . 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 . 19 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 28.0 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 1 0 0 1 0 1 0 1 1 0 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 1 2 0 1 1 1 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 . 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 5 A R 0 0 145 0, 0.0 3,-0.0 0, 0.0 89,-0.0 0.000 360.0 360.0 360.0 127.2 24.2 -3.1 -8.1 2 6 A P - 0 0 77 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.185 360.0-101.4 -60.1 160.6 23.7 -4.4 -11.7 3 7 A T - 0 0 98 2,-0.0 15,-3.0 0, 0.0 2,-0.3 -0.797 43.3-152.1 -81.8 127.1 26.0 -3.3 -14.5 4 8 A F E -A 17 0A 34 -2,-0.5 2,-0.3 13,-0.3 11,-0.0 -0.699 9.0-159.7 -96.8 152.5 24.3 -0.6 -16.5 5 9 A Y E -A 16 0A 48 11,-2.5 11,-1.8 -2,-0.3 2,-0.3 -0.960 9.5-140.4-129.5 155.8 24.8 0.3 -20.1 6 10 A R E +A 15 0A 165 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.850 25.6 155.2-116.8 143.1 24.0 3.5 -21.9 7 11 A Q E -A 14 0A 52 7,-1.7 7,-3.3 -2,-0.3 2,-0.5 -0.968 36.3-118.0-153.0 167.8 22.5 4.2 -25.4 8 12 A E E +A 13 0A 133 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.965 27.3 177.8-112.4 124.0 20.6 6.9 -27.3 9 13 A L E > S-A 12 0A 27 3,-3.1 3,-2.1 -2,-0.5 -2,-0.0 -0.993 72.4 -19.1-124.5 123.1 17.2 6.1 -28.7 10 14 A N T 3 S- 0 0 129 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.908 125.8 -51.8 44.2 56.6 15.2 8.8 -30.4 11 15 A K T 3 S+ 0 0 178 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.407 120.4 107.5 67.2 -1.3 17.2 11.7 -28.9 12 16 A T E < -A 9 0A 27 -3,-2.1 -3,-3.1 2,-0.0 2,-0.4 -0.896 67.3-132.8-106.0 135.5 16.6 10.3 -25.4 13 17 A I E -A 8 0A 38 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.710 17.8-159.9 -89.2 136.5 19.4 8.6 -23.5 14 18 A W E -A 7 0A 4 -7,-3.3 -7,-1.7 -2,-0.4 2,-0.6 -0.973 11.7-178.5-120.1 119.6 18.7 5.2 -21.8 15 19 A E E +A 6 0A 57 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.910 24.5 155.5-117.3 102.2 20.8 3.8 -19.0 16 20 A V E -A 5 0A 1 -11,-1.8 -11,-2.5 -2,-0.6 -2,-0.0 -0.836 48.6 -87.7-128.0 156.7 19.5 0.4 -18.0 17 21 A P E > -A 4 0A 5 0, 0.0 3,-2.0 0, 0.0 -13,-0.3 -0.336 40.3-117.5 -59.8 145.3 20.8 -2.7 -16.3 18 22 A E T 3 S+ 0 0 96 -15,-3.0 22,-0.2 1,-0.3 -14,-0.1 0.722 107.3 82.0 -61.5 -19.6 22.4 -5.2 -18.8 19 23 A R T 3 S+ 0 0 56 -16,-0.3 21,-2.6 1,-0.1 2,-0.7 0.834 84.4 67.8 -46.2 -35.6 19.7 -7.6 -17.8 20 24 A Y E < S+B 39 0B 0 -3,-2.0 2,-0.2 19,-0.2 19,-0.2 -0.838 73.5 177.4-100.1 117.6 17.4 -5.8 -20.3 21 25 A Q E +B 38 0B 69 17,-2.8 17,-3.1 -2,-0.7 -2,-0.0 -0.711 47.1 28.0-116.7 162.2 18.5 -6.2 -23.9 22 26 A N E - 0 0 118 -2,-0.2 2,-0.2 15,-0.2 -1,-0.2 0.932 69.4-164.8 57.3 52.4 17.3 -5.2 -27.4 23 27 A L E + 0 0 16 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.520 10.7 178.4 -68.0 130.2 15.6 -2.0 -26.4 24 28 A S E -B 36 0B 59 12,-2.2 12,-2.9 -2,-0.2 -15,-0.0 -0.990 30.5-114.6-135.0 130.6 13.3 -0.7 -29.2 25 29 A P E +B 35 0B 61 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.293 33.4 170.8 -62.7 143.6 11.2 2.5 -28.9 26 30 A V E - 0 0 93 8,-2.6 2,-0.3 1,-0.4 9,-0.2 0.490 59.7 -41.7-124.6 -18.0 7.5 2.0 -28.9 27 31 A G E -B 34 0B 39 7,-1.3 7,-3.4 2,-0.0 -1,-0.4 -0.915 43.9-135.4 166.0 167.8 6.2 5.5 -28.0 28 32 A S E +B 33 0B 99 5,-0.3 5,-0.3 -2,-0.3 2,-0.2 -0.993 16.6 176.1-150.7 140.9 6.5 8.6 -25.9 29 33 A G E > -B 32 0B 50 3,-3.2 3,-0.7 -2,-0.3 134,-0.1 -0.612 51.6 -74.9-128.1-169.3 4.2 10.9 -24.0 30 34 A A T 3 S+ 0 0 74 1,-0.2 133,-0.1 -2,-0.2 3,-0.1 0.799 128.1 35.8 -60.2 -33.4 4.3 14.0 -21.7 31 35 A Y T 3 S- 0 0 92 131,-0.3 21,-1.7 1,-0.2 2,-0.3 0.396 125.9 -14.4-109.0 1.6 5.5 12.0 -18.7 32 36 A G E < -BC 29 51B 5 -3,-0.7 -3,-3.2 19,-0.3 2,-0.3 -0.974 51.7-115.2 178.0 171.5 7.8 9.4 -20.3 33 37 A S E -BC 28 50B 23 17,-1.6 17,-2.6 -2,-0.3 2,-0.4 -0.941 32.2-144.9-122.0 148.7 9.2 7.5 -23.2 34 38 A V E -BC 27 49B 27 -7,-3.4 -8,-2.6 -2,-0.3 -7,-1.3 -0.947 13.7-173.3-125.2 136.1 8.7 3.7 -23.5 35 39 A C E -BC 25 48B 1 13,-2.8 13,-3.4 -2,-0.4 2,-0.3 -0.958 20.8-134.5-120.4 144.7 10.9 0.9 -24.9 36 40 A A E +BC 24 47B 11 -12,-2.9 -12,-2.2 -2,-0.4 2,-0.3 -0.685 37.5 169.0 -83.9 151.0 10.2 -2.7 -25.5 37 41 A A E - C 0 46B 6 9,-2.2 9,-2.8 -2,-0.3 2,-0.5 -0.971 37.1-110.4-155.1 164.8 13.0 -5.0 -24.2 38 42 A F E -BC 21 45B 77 -17,-3.1 -17,-2.8 -2,-0.3 2,-1.0 -0.934 24.6-144.8-104.1 124.1 14.0 -8.6 -23.5 39 43 A D E >>> -BC 20 44B 1 5,-3.1 4,-3.0 -2,-0.5 3,-0.9 -0.764 10.6-167.8 -89.2 100.0 14.4 -9.4 -19.9 40 44 A T T 345S+ 0 0 78 -21,-2.6 -1,-0.2 -2,-1.0 -20,-0.1 0.753 82.4 60.7 -60.2 -24.8 17.3 -11.9 -19.8 41 45 A K T 345S+ 0 0 159 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.1 0.836 122.5 17.4 -73.4 -33.9 16.5 -12.8 -16.2 42 46 A T T <45S- 0 0 74 -3,-0.9 -2,-0.2 2,-0.2 -1,-0.2 0.572 96.3-122.3-112.6 -21.4 13.0 -14.1 -16.7 43 47 A G T <5 + 0 0 43 -4,-3.0 2,-0.2 1,-0.3 -3,-0.2 0.554 68.9 135.2 83.2 9.9 12.9 -14.6 -20.5 44 48 A L E < -C 39 0B 63 -5,-0.6 -5,-3.1 -6,-0.0 2,-0.4 -0.619 60.2-123.8 -93.0 148.1 10.0 -12.2 -20.7 45 49 A R E -C 38 0B 177 -2,-0.2 59,-2.4 -7,-0.2 2,-0.3 -0.766 42.3-173.0 -81.7 136.7 9.4 -9.4 -23.1 46 50 A V E -CD 37 103B 0 -9,-2.8 -9,-2.2 -2,-0.4 2,-0.5 -0.839 27.4-129.0-131.6 162.5 9.0 -6.2 -21.1 47 51 A A E -CD 36 102B 16 55,-3.1 55,-2.2 -2,-0.3 2,-0.5 -0.968 22.7-162.5-111.8 131.6 8.1 -2.6 -21.5 48 52 A V E -CD 35 101B 0 -13,-3.4 -13,-2.8 -2,-0.5 2,-0.5 -0.957 1.5-163.7-116.4 126.7 10.5 -0.0 -19.9 49 53 A K E -CD 34 100B 34 51,-3.0 51,-2.3 -2,-0.5 2,-0.7 -0.942 5.5-158.0-114.1 126.9 9.3 3.5 -19.2 50 54 A K E -CD 33 99B 27 -17,-2.6 -17,-1.6 -2,-0.5 49,-0.2 -0.908 24.7-128.5 -98.4 118.1 11.8 6.3 -18.6 51 55 A L E -C 32 0B 6 47,-2.5 2,-0.5 -2,-0.7 -19,-0.3 -0.386 19.8-125.6 -65.7 142.5 10.1 9.1 -16.7 52 56 A S S S- 0 0 36 -21,-1.7 -1,-0.1 1,-0.2 45,-0.0 -0.787 78.0 -23.5 -94.4 127.0 10.6 12.5 -18.3 53 57 A R S > S- 0 0 180 -2,-0.5 3,-1.6 1,-0.1 4,-0.3 0.886 76.2-178.9 45.1 54.8 12.0 15.3 -16.0 54 58 A P T 3 S+ 0 0 2 0, 0.0 10,-0.4 0, 0.0 11,-0.2 0.747 75.0 28.9 -61.9 -24.7 10.8 13.5 -12.9 55 59 A F T 3 S+ 0 0 11 41,-0.3 -2,-0.1 1,-0.1 265,-0.1 -0.027 80.2 117.4-126.4 30.5 12.0 16.1 -10.4 56 60 A Q S < S+ 0 0 99 -3,-1.6 2,-0.3 1,-0.1 -1,-0.1 0.825 85.6 4.2 -68.4 -34.8 11.9 19.3 -12.3 57 61 A S S > S- 0 0 32 -4,-0.3 4,-2.7 -3,-0.1 5,-0.2 -0.896 80.8 -99.6-142.7 165.6 9.3 20.9 -10.1 58 62 A I H > S+ 0 0 66 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.906 125.4 52.7 -51.8 -43.3 7.4 20.2 -6.9 59 63 A I H > S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.935 111.0 43.6 -61.8 -52.0 4.5 19.2 -9.1 60 64 A H H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 112.9 52.9 -57.3 -44.5 6.5 16.8 -11.2 61 65 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.902 110.8 46.0 -64.6 -39.0 8.2 15.3 -8.2 62 66 A K H X S+ 0 0 31 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.883 111.6 52.2 -70.3 -37.2 4.9 14.6 -6.5 63 67 A R H X S+ 0 0 63 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.881 109.4 50.7 -63.4 -40.7 3.5 13.1 -9.7 64 68 A T H X S+ 0 0 8 -4,-2.5 4,-2.3 -10,-0.4 5,-0.2 0.945 112.2 45.7 -61.6 -49.4 6.6 10.8 -9.9 65 69 A Y H X S+ 0 0 13 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.937 112.1 52.6 -59.6 -44.6 6.1 9.7 -6.3 66 70 A R H X S+ 0 0 85 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.918 110.1 47.6 -58.1 -46.2 2.3 9.2 -6.9 67 71 A E H X S+ 0 0 43 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.930 114.0 46.0 -65.4 -44.3 3.0 7.0 -10.0 68 72 A L H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.925 112.9 49.7 -65.4 -45.4 5.6 4.8 -8.2 69 73 A R H X S+ 0 0 34 -4,-2.9 4,-1.1 -5,-0.2 -1,-0.2 0.933 113.8 46.2 -57.5 -46.6 3.4 4.4 -5.0 70 74 A L H >X S+ 0 0 52 -4,-2.4 4,-1.4 -5,-0.2 3,-1.0 0.957 113.6 47.7 -61.1 -51.7 0.4 3.4 -7.1 71 75 A L H 3< S+ 0 0 16 -4,-2.8 11,-0.6 1,-0.3 3,-0.3 0.893 109.0 54.4 -62.4 -36.9 2.4 1.0 -9.3 72 76 A K H 3< S+ 0 0 38 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.758 108.7 50.6 -65.6 -25.5 4.0 -0.6 -6.3 73 77 A H H << S+ 0 0 35 -4,-1.1 2,-0.5 -3,-1.0 -1,-0.2 0.800 84.6 99.3 -79.5 -30.3 0.6 -1.3 -4.8 74 78 A M < + 0 0 7 -4,-1.4 8,-0.5 -3,-0.3 2,-0.2 -0.432 35.0 155.9 -76.9 114.0 -1.1 -2.9 -7.8 75 79 A K + 0 0 161 -2,-0.5 2,-0.3 6,-0.1 -1,-0.1 -0.653 32.4 108.8-137.5 75.6 -1.1 -6.7 -7.4 76 80 A H S > S- 0 0 20 3,-0.4 3,-1.8 -2,-0.2 54,-0.0 -0.990 70.2-120.6-154.8 143.7 -3.9 -8.1 -9.5 77 81 A E T 3 S+ 0 0 125 -2,-0.3 4,-0.1 1,-0.3 53,-0.1 0.707 112.6 45.2 -60.0 -26.3 -4.2 -10.0 -12.8 78 82 A N T 3 S+ 0 0 4 80,-0.1 81,-2.2 2,-0.1 2,-0.4 0.134 104.9 69.5-110.2 18.5 -6.2 -7.3 -14.5 79 83 A V B < S-f 159 0C 6 -3,-1.8 -3,-0.4 79,-0.3 81,-0.2 -0.988 95.0 -93.3-131.0 142.5 -4.1 -4.3 -13.5 80 84 A I - 0 0 30 79,-2.8 2,-0.3 -2,-0.4 -4,-0.1 -0.241 43.4-153.3 -48.4 138.5 -0.6 -3.4 -14.6 81 85 A G - 0 0 23 -6,-0.1 2,-0.7 -4,-0.1 22,-0.4 -0.914 14.6-119.9-117.8 148.8 2.1 -4.8 -12.2 82 86 A L + 0 0 12 -11,-0.6 20,-0.2 -8,-0.5 3,-0.1 -0.787 26.3 177.1 -93.1 115.6 5.6 -3.5 -11.6 83 87 A L S S- 0 0 20 18,-2.7 2,-0.3 -2,-0.7 19,-0.2 0.771 70.7 -13.3 -81.4 -31.6 8.3 -6.0 -12.5 84 88 A D E -E 101 0B 24 17,-1.4 17,-2.9 248,-0.1 -1,-0.3 -0.977 50.0-163.2-165.1 155.4 11.1 -3.7 -11.6 85 89 A V E +E 100 0B 6 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.964 27.1 161.3-145.0 135.0 12.0 -0.1 -10.9 86 90 A F E -E 99 0B 15 13,-2.1 13,-2.7 -2,-0.3 -2,-0.0 -0.973 26.1-158.6-149.8 166.1 15.5 1.2 -11.1 87 91 A T - 0 0 13 -2,-0.3 11,-0.1 2,-0.2 -71,-0.1 -0.981 25.5-134.3-142.7 142.4 17.8 4.2 -11.4 88 92 A P S S+ 0 0 17 0, 0.0 -84,-0.1 0, 0.0 10,-0.1 0.617 75.6 113.4 -68.7 -13.8 21.4 4.4 -12.6 89 93 A A - 0 0 14 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.306 54.3-161.8 -59.6 140.6 22.0 6.7 -9.5 90 94 A R S S+ 0 0 175 1,-0.1 2,-0.3 -89,-0.0 -1,-0.1 0.597 74.3 18.8 -99.0 -12.6 24.3 5.2 -6.8 91 95 A S S > S- 0 0 34 1,-0.1 3,-0.6 0, 0.0 4,-0.4 -0.965 81.8-104.4-149.3 163.0 23.1 7.7 -4.1 92 96 A L G > S+ 0 0 55 -2,-0.3 3,-1.5 1,-0.2 -1,-0.1 0.895 115.6 62.1 -54.5 -41.6 20.3 10.1 -3.3 93 97 A E G 3 S+ 0 0 165 1,-0.3 -1,-0.2 -3,-0.0 -4,-0.0 0.864 110.5 37.5 -59.3 -35.8 22.4 13.1 -4.2 94 98 A E G < S+ 0 0 104 -3,-0.6 2,-0.6 2,-0.0 -1,-0.3 0.366 86.0 125.8 -96.1 6.2 22.8 11.9 -7.8 95 99 A F < + 0 0 0 -3,-1.5 3,-0.1 -4,-0.4 229,-0.1 -0.517 15.3 131.3 -73.8 110.1 19.3 10.6 -8.2 96 100 A N + 0 0 92 -2,-0.6 2,-0.3 1,-0.2 -41,-0.3 0.340 55.0 61.0-139.6 5.8 17.6 12.2 -11.2 97 101 A D - 0 0 34 -44,-0.1 2,-0.4 -43,-0.1 -8,-0.3 -0.997 51.4-168.4-142.0 143.7 16.1 9.4 -13.3 98 102 A V - 0 0 1 -2,-0.3 -47,-2.5 -47,-0.3 2,-0.4 -0.997 4.5-169.4-133.8 127.3 13.5 6.7 -12.7 99 103 A Y E -DE 50 86B 0 -13,-2.7 -13,-2.1 -2,-0.4 2,-0.4 -0.960 4.5-161.3-117.6 140.8 12.7 3.8 -14.9 100 104 A L E -DE 49 85B 6 -51,-2.3 -51,-3.0 -2,-0.4 2,-0.4 -0.935 3.9-160.0-120.4 139.8 9.7 1.4 -14.5 101 105 A V E +DE 48 84B 0 -17,-2.9 -18,-2.7 -2,-0.4 -17,-1.4 -0.972 16.7 160.5-125.2 136.1 9.4 -2.1 -16.0 102 106 A T E -D 47 0B 23 -55,-2.2 -55,-3.1 -2,-0.4 -20,-0.1 -0.914 49.6 -73.4-141.0 166.0 6.2 -4.1 -16.7 103 107 A H E -D 46 0B 79 -22,-0.4 2,-0.4 -2,-0.3 -57,-0.3 -0.382 53.3-115.2 -57.3 134.9 5.2 -7.1 -18.8 104 108 A L - 0 0 48 -59,-2.4 2,-0.3 -67,-0.1 -59,-0.2 -0.620 32.7-154.9 -74.7 126.4 5.0 -6.2 -22.5 105 109 A M - 0 0 39 -2,-0.4 47,-0.1 1,-0.1 46,-0.1 -0.811 18.8-122.0-105.0 148.7 1.4 -6.5 -23.7 106 110 A G S S- 0 0 65 -2,-0.3 2,-0.2 44,-0.1 46,-0.2 0.870 73.4 -43.1 -51.6 -50.5 0.4 -7.1 -27.3 107 111 A A E -G 151 0C 37 44,-1.8 44,-2.7 -3,-0.0 2,-0.3 -0.806 56.6 -98.3-163.2-170.6 -1.8 -4.1 -28.0 108 112 A D E >> -G 150 0C 31 42,-0.3 4,-1.6 -2,-0.2 3,-0.6 -0.866 36.4-103.1-129.9 168.9 -4.5 -1.9 -26.5 109 113 A L T 34 S+ 0 0 3 40,-1.8 38,-0.2 37,-1.4 41,-0.1 0.706 116.3 63.0 -67.7 -21.4 -8.3 -1.8 -27.0 110 114 A N T 34 S+ 0 0 69 36,-0.5 -1,-0.2 39,-0.2 37,-0.1 0.895 104.1 48.7 -69.5 -37.6 -8.1 1.3 -29.3 111 115 A N T <4 0 0 114 -3,-0.6 -2,-0.2 35,-0.1 -1,-0.1 0.989 360.0 360.0 -57.0 -63.0 -6.1 -0.8 -31.8 112 116 A I < 0 0 95 -4,-1.6 3,-0.1 34,-0.1 -5,-0.0 -0.080 360.0 360.0 -40.2 360.0 -8.7 -3.7 -31.6 113 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 114 121 A K 0 0 184 0, 0.0 2,-0.2 0, 0.0 85,-0.2 0.000 360.0 360.0 360.0 124.5 -16.6 -4.2 -33.4 115 122 A L - 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0 0 39 -2,-0.4 -9,-0.1 1,-0.1 -33,-0.0 -0.463 30.6-145.8 -57.5 126.6 -17.8 6.1 -30.1 204 222 A L S S+ 0 0 36 -11,-0.4 -1,-0.1 1,-0.3 -34,-0.1 0.937 88.2 14.5 -64.0 -49.1 -20.9 6.4 -27.9 205 223 A F + 0 0 6 -36,-0.4 2,-2.3 2,-0.1 -1,-0.3 -0.682 67.7 178.8-131.6 78.0 -20.5 10.1 -27.1 206 224 A P - 0 0 63 0, 0.0 -37,-0.1 0, 0.0 2,-0.1 -0.382 20.0-177.3 -81.7 66.2 -17.9 11.8 -29.5 207 225 A G - 0 0 1 -2,-2.3 -38,-0.1 1,-0.1 -41,-0.1 -0.350 27.8-147.9 -70.0 142.6 -18.3 15.3 -28.0 208 226 A T S S- 0 0 96 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.725 80.3 -11.8 -80.8 -24.6 -16.4 18.2 -29.5 209 227 A D S > S- 0 0 75 -41,-0.1 4,-2.4 1,-0.0 5,-0.1 -0.858 90.2 -76.6-156.9-172.1 -16.0 20.0 -26.2 210 228 A H H > S+ 0 0 100 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.867 127.6 48.4 -69.7 -35.0 -17.5 19.7 -22.7 211 229 A I H > S+ 0 0 106 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.939 114.9 44.8 -67.6 -48.0 -20.8 21.3 -23.6 212 230 A D H > S+ 0 0 38 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.903 110.8 55.8 -61.5 -39.6 -21.3 19.1 -26.6 213 231 A Q H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.964 110.1 44.3 -60.0 -51.0 -20.2 16.1 -24.5 214 232 A L H X S+ 0 0 14 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.920 111.5 54.6 -59.2 -43.7 -22.9 16.8 -22.0 215 233 A K H X S+ 0 0 106 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.930 109.9 45.5 -54.9 -48.8 -25.4 17.4 -24.8 216 234 A L H X S+ 0 0 31 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.899 113.2 51.4 -65.2 -39.2 -24.7 14.0 -26.4 217 235 A I H >X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 3,-0.8 0.950 109.7 47.3 -61.0 -51.5 -24.9 12.3 -23.0 218 236 A L H 3X S+ 0 0 7 -4,-2.8 4,-2.0 1,-0.3 -1,-0.2 0.777 101.9 66.2 -66.2 -27.6 -28.2 13.8 -22.0 219 237 A R H 3< S+ 0 0 95 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.904 113.6 32.0 -58.7 -40.7 -29.7 12.9 -25.4 220 238 A L H << S+ 0 0 9 -4,-1.2 30,-2.7 -3,-0.8 -2,-0.2 0.925 129.7 32.9 -77.9 -49.9 -29.2 9.2 -24.5 221 239 A V H < S- 0 0 11 -4,-2.5 52,-0.3 28,-0.2 28,-0.3 0.444 108.4-116.4 -96.1 -0.4 -29.8 9.2 -20.7 222 240 A G < - 0 0 1 -4,-2.0 -1,-0.2 26,-0.4 -2,-0.1 0.054 37.1 -67.3 86.6 156.3 -32.3 12.0 -20.5 223 241 A T S S- 0 0 20 24,-2.1 26,-0.1 1,-0.2 50,-0.1 -0.419 78.0 -68.1 -70.0 158.0 -32.1 15.4 -18.7 224 242 A P - 0 0 17 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.245 50.3-133.6 -53.1 136.7 -31.9 15.2 -14.9 225 243 A G > - 0 0 45 -3,-0.1 4,-2.5 1,-0.1 3,-0.2 -0.271 34.0 -93.4 -75.5 172.6 -35.0 14.0 -13.0 226 244 A A H > S+ 0 0 74 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.859 124.4 55.4 -56.3 -38.5 -36.3 15.8 -9.9 227 245 A E H 4 S+ 0 0 111 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.898 112.2 42.0 -66.5 -40.4 -34.4 13.5 -7.5 228 246 A L H >4 S+ 0 0 31 -3,-0.2 3,-1.7 1,-0.2 4,-0.3 0.890 109.2 58.8 -72.5 -39.4 -31.0 14.3 -9.2 229 247 A L H >< S+ 0 0 37 -4,-2.5 3,-1.4 1,-0.3 -2,-0.2 0.832 97.7 61.1 -57.6 -34.9 -31.8 18.0 -9.6 230 248 A K T 3< S+ 0 0 184 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.667 99.9 57.2 -67.1 -17.1 -32.2 18.3 -5.7 231 249 A K T < S+ 0 0 78 -3,-1.7 2,-0.8 -4,-0.3 -1,-0.3 0.453 81.0 101.3 -90.4 -3.4 -28.6 17.2 -5.4 232 250 A I < - 0 0 28 -3,-1.4 6,-0.1 -4,-0.3 -3,-0.0 -0.757 45.9-176.9 -90.8 113.1 -27.1 20.0 -7.5 233 251 A S + 0 0 106 -2,-0.8 2,-0.4 4,-0.0 -1,-0.2 0.820 54.9 93.7 -76.6 -33.1 -25.7 22.8 -5.3 234 252 A S > - 0 0 47 1,-0.2 4,-2.7 2,-0.1 5,-0.2 -0.509 57.3-160.0 -69.7 118.9 -24.6 25.2 -8.1 235 253 A E H > S+ 0 0 115 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.898 94.8 49.2 -58.6 -46.1 -27.2 27.9 -9.0 236 254 A S H > S+ 0 0 91 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.889 112.0 47.6 -67.3 -37.0 -25.7 28.4 -12.4 237 255 A A H > S+ 0 0 12 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.939 113.6 47.5 -66.7 -46.9 -25.6 24.7 -13.2 238 256 A R H X S+ 0 0 51 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.930 111.3 51.2 -57.9 -46.9 -29.2 24.3 -12.1 239 257 A N H X S+ 0 0 92 -4,-2.8 4,-1.1 -5,-0.2 -1,-0.2 0.938 114.4 44.9 -54.7 -45.7 -30.2 27.3 -14.1 240 258 A Y H >< S+ 0 0 102 -4,-2.2 3,-0.5 2,-0.2 4,-0.4 0.956 115.8 44.0 -62.5 -54.8 -28.5 25.9 -17.1 241 259 A I H >< S+ 0 0 11 -4,-3.1 3,-1.4 1,-0.2 -2,-0.2 0.925 114.9 48.7 -58.6 -48.0 -29.8 22.3 -16.8 242 260 A Q H 3< S+ 0 0 113 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.686 105.8 58.6 -69.6 -18.5 -33.3 23.4 -16.1 243 261 A S T << S+ 0 0 102 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.496 86.6 101.7 -89.5 -3.9 -33.3 25.8 -19.0 244 262 A L S < S- 0 0 52 -3,-1.4 2,-0.4 -4,-0.4 3,-0.0 -0.481 91.4 -98.6 -74.1 145.6 -32.6 22.9 -21.5 245 263 A T - 0 0 129 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.573 54.0-116.0 -57.1 120.5 -35.4 21.4 -23.6 246 264 A Q - 0 0 139 -2,-0.4 -1,-0.1 -4,-0.1 -4,-0.0 -0.362 34.2-166.4 -73.2 144.4 -36.1 18.4 -21.4 247 265 A M - 0 0 60 -2,-0.1 -24,-2.1 -29,-0.1 2,-0.1 -0.993 16.0-125.8-134.4 139.3 -35.5 14.9 -22.8 248 266 A P - 0 0 98 0, 0.0 -26,-0.4 0, 0.0 2,-0.3 -0.412 39.1 -94.0 -78.3 157.3 -36.6 11.5 -21.7 249 267 A K - 0 0 110 -28,-0.3 -28,-0.2 -27,-0.1 -29,-0.1 -0.559 49.7-119.1 -64.1 132.7 -34.1 8.7 -21.1 250 268 A M - 0 0 75 -30,-2.7 2,-0.8 -2,-0.3 3,-0.1 -0.308 22.8-104.4 -72.3 157.4 -34.0 6.7 -24.4 251 269 A N >> - 0 0 89 1,-0.2 4,-1.6 2,-0.0 3,-1.0 -0.792 29.7-156.8 -83.4 111.1 -34.9 3.0 -24.5 252 270 A F H 3> S+ 0 0 1 -2,-0.8 4,-3.2 1,-0.3 -1,-0.2 0.816 87.2 67.9 -63.4 -31.9 -31.5 1.4 -24.7 253 271 A A H 34 S+ 0 0 49 1,-0.2 5,-0.4 2,-0.2 -1,-0.3 0.839 105.8 42.2 -54.9 -37.2 -33.0 -1.8 -26.3 254 272 A N H <4 S+ 0 0 118 -3,-1.0 3,-0.5 1,-0.1 -1,-0.2 0.906 114.2 50.0 -77.0 -41.0 -33.7 0.3 -29.4 255 273 A V H < S+ 0 0 60 -4,-1.6 2,-1.1 1,-0.3 -2,-0.2 0.903 114.7 44.0 -61.4 -44.4 -30.4 2.2 -29.4 256 274 A F S >< S- 0 0 10 -4,-3.2 3,-0.9 -5,-0.1 2,-0.4 -0.734 91.6-167.8-108.9 75.7 -28.4 -1.0 -29.1 257 275 A I T 3 + 0 0 147 -2,-1.1 -3,-0.1 -3,-0.5 -4,-0.1 -0.564 66.4 1.1 -63.1 115.3 -30.5 -2.8 -31.7 258 276 A G T 3 S+ 0 0 86 -2,-0.4 -1,-0.2 -5,-0.4 2,-0.1 0.511 92.1 136.4 80.0 6.0 -29.8 -6.5 -31.7 259 277 A A S < S- 0 0 27 -3,-0.9 -1,-0.3 -6,-0.2 -3,-0.0 -0.432 75.2 -75.5 -73.7 159.6 -27.2 -6.7 -28.9 260 278 A N >> - 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0 0 51 -3,-0.2 6,-0.1 -4,-0.2 5,-0.1 -0.445 55.0-132.3 -59.7 137.2 -27.7 5.8 -15.4 273 291 A L S S+ 0 0 23 -52,-0.3 2,-0.6 -2,-0.1 -99,-0.2 0.959 90.1 71.2 -63.7 -51.7 -27.4 9.5 -15.2 274 292 A D S > S- 0 0 13 1,-0.2 3,-2.4 3,-0.1 4,-0.4 -0.503 75.8-149.7 -71.4 114.0 -27.5 9.9 -11.4 275 293 A S G > S+ 0 0 7 -2,-0.6 3,-0.9 1,-0.3 -1,-0.2 0.757 93.4 66.5 -57.2 -28.1 -24.1 8.6 -10.3 276 294 A D G 3 S+ 0 0 95 1,-0.2 -1,-0.3 -93,-0.0 -2,-0.1 0.680 103.3 47.2 -64.9 -18.3 -25.7 7.5 -7.0 277 295 A K G < S+ 0 0 104 -3,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.404 86.0 113.1-105.7 -2.7 -27.8 4.9 -8.9 278 296 A R S < S- 0 0 9 -3,-0.9 -8,-0.2 -4,-0.4 -9,-0.1 -0.443 74.9-103.2 -73.0 147.8 -25.1 3.4 -11.1 279 297 A I - 0 0 20 -10,-2.5 2,-0.1 -13,-0.2 -1,-0.1 -0.327 36.3-126.4 -64.5 144.3 -24.1 -0.2 -10.6 280 298 A T > - 0 0 58 1,-0.1 4,-2.5 -92,-0.0 5,-0.1 -0.467 22.4-108.4 -84.7 168.8 -20.8 -0.7 -8.7 281 299 A A H > S+ 0 0 3 2,-0.2 4,-1.8 1,-0.2 -149,-0.2 0.937 120.6 48.1 -61.9 -43.7 -17.9 -2.8 -10.1 282 300 A A H > S+ 0 0 48 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.900 112.9 47.2 -66.6 -40.7 -18.5 -5.6 -7.6 283 301 A Q H >4 S+ 0 0 113 1,-0.2 3,-1.1 2,-0.2 4,-0.2 0.903 108.8 56.2 -64.0 -40.7 -22.3 -5.6 -8.3 284 302 A A H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.3 6,-0.3 0.851 96.9 62.2 -63.5 -34.2 -21.6 -5.7 -12.0 285 303 A L H 3< S+ 0 0 0 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.805 103.0 52.1 -60.1 -27.2 -19.4 -8.8 -11.8 286 304 A A T << S+ 0 0 65 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.412 83.7 116.9 -89.9 -1.8 -22.5 -10.7 -10.5 287 305 A H S X S- 0 0 20 -3,-1.8 3,-2.3 -4,-0.2 7,-0.1 -0.408 78.3-116.2 -69.1 143.5 -24.7 -9.5 -13.4 288 306 A A G > S+ 0 0 59 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.703 108.8 75.4 -54.5 -24.6 -26.0 -12.4 -15.7 289 307 A Y G 3 S+ 0 0 4 -27,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.824 99.5 44.8 -56.5 -31.0 -24.1 -11.0 -18.6 290 308 A F G X> S+ 0 0 0 -3,-2.3 4,-3.1 -6,-0.3 3,-1.5 0.045 74.1 124.9-103.4 25.4 -20.9 -12.5 -17.0 291 309 A A T <4 S+ 0 0 78 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.848 72.5 51.4 -56.9 -37.6 -22.4 -15.8 -16.0 292 310 A Q T 34 S+ 0 0 122 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.685 122.8 29.7 -75.0 -13.7 -19.6 -17.8 -17.9 293 311 A Y T <4 S+ 0 0 71 -3,-1.5 -2,-0.2 -8,-0.1 -1,-0.2 0.708 87.4 111.5-114.0 -31.2 -16.8 -15.9 -16.1 294 312 A H < + 0 0 64 -4,-3.1 -8,-0.1 -7,-0.1 5,-0.1 -0.249 29.0 164.1 -61.7 128.4 -18.0 -14.8 -12.7 295 313 A D > - 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