==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-FEB-09 3GCV . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.GRUETTER,J.R.SIMARD,M.GETLIK,D.RAUH . 338 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17497.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 64.8 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 . 42 12.4 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 . 25 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 2 0 1 0 1 1 0 1 1 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 0 2 0 2 1 0 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 0 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 4 A E 0 0 151 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 7.2 -21.9 6.9 0.5 2 5 A R - 0 0 101 1,-0.1 88,-0.0 3,-0.0 3,-0.0 -0.651 360.0-123.1 -72.2 133.8 -21.6 3.9 -1.8 3 6 A P - 0 0 62 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.300 24.1-100.5 -69.2 165.5 -21.7 5.4 -5.3 4 7 A T - 0 0 84 -2,-0.0 15,-2.3 2,-0.0 2,-0.3 -0.803 39.8-151.6 -86.7 124.7 -24.3 4.4 -7.9 5 8 A F E -A 18 0A 24 -2,-0.5 2,-0.3 13,-0.2 11,-0.0 -0.668 7.1-159.2 -96.3 148.3 -22.9 1.9 -10.4 6 9 A Y E -A 17 0A 61 11,-2.6 11,-1.7 -2,-0.3 2,-0.3 -0.964 12.9-133.6-126.2 154.2 -24.0 1.5 -14.1 7 10 A R E +A 16 0A 170 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.729 27.2 163.1-111.9 153.7 -23.5 -1.6 -16.2 8 11 A Q E -A 15 0A 56 7,-1.2 7,-3.1 -2,-0.3 2,-0.5 -0.985 30.3-128.7-166.6 146.3 -22.3 -1.8 -19.8 9 12 A E E +A 14 0A 136 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.943 27.4 171.5-111.2 126.3 -20.9 -4.4 -22.2 10 13 A L E > S-A 13 0A 32 3,-3.5 3,-1.7 -2,-0.5 -2,-0.0 -0.986 70.4 -16.7-134.3 123.6 -17.6 -3.7 -24.1 11 14 A N T 3 S- 0 0 113 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.919 126.7 -53.4 50.6 51.2 -15.8 -6.3 -26.2 12 15 A K T 3 S+ 0 0 95 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.636 118.7 113.1 57.8 19.3 -17.7 -9.2 -24.5 13 16 A T E < -A 10 0A 42 -3,-1.7 -3,-3.5 2,-0.0 2,-0.4 -0.969 65.4-132.8-118.7 133.5 -16.7 -7.9 -21.1 14 17 A I E -A 9 0A 60 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.736 19.9-165.9 -81.6 131.5 -19.1 -6.5 -18.6 15 18 A W E +A 8 0A 5 -7,-3.1 -7,-1.2 -2,-0.4 2,-0.5 -0.991 8.7 179.9-118.4 122.3 -18.0 -3.2 -17.0 16 19 A E E +A 7 0A 41 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.1 -0.936 20.8 154.9-123.6 107.1 -19.8 -2.0 -13.9 17 20 A V E -A 6 0A 2 -11,-1.7 -11,-2.6 -2,-0.5 -2,-0.0 -0.816 48.7 -81.4-129.8 162.2 -18.4 1.3 -12.6 18 21 A P E > -A 5 0A 3 0, 0.0 3,-1.9 0, 0.0 -13,-0.2 -0.368 44.2-116.9 -58.1 146.8 -19.5 4.3 -10.6 19 22 A E T 3 S+ 0 0 105 -15,-2.3 21,-0.1 1,-0.3 -14,-0.1 0.756 108.8 76.1 -62.5 -26.8 -21.4 6.9 -12.6 20 23 A R T 3 S+ 0 0 71 -16,-0.2 20,-2.9 19,-0.1 2,-0.7 0.827 84.4 77.1 -52.8 -31.1 -18.7 9.5 -12.1 21 24 A Y E < +B 39 0B 2 -3,-1.9 2,-0.2 18,-0.2 18,-0.2 -0.770 68.8 167.8 -88.0 115.6 -16.8 7.5 -14.8 22 25 A Q E +B 38 0B 71 16,-2.6 16,-2.3 -2,-0.7 -2,-0.0 -0.684 44.6 32.5-120.7 167.7 -18.1 8.2 -18.3 23 26 A N E - 0 0 118 -2,-0.2 -1,-0.2 14,-0.2 2,-0.1 0.869 69.8-165.5 55.9 40.3 -17.2 7.7 -21.9 24 27 A L E - 0 0 15 -3,-0.2 13,-0.2 13,-0.1 -1,-0.2 -0.398 8.8-178.0 -60.4 130.2 -15.5 4.3 -21.3 25 28 A S E -B 36 0B 65 11,-2.8 11,-3.1 -2,-0.1 -1,-0.0 -0.956 26.7-122.5-138.7 111.7 -13.5 3.5 -24.4 26 29 A P E +B 35 0B 50 0, 0.0 9,-0.3 0, 0.0 3,-0.1 -0.291 35.9 164.8 -55.4 129.0 -11.5 0.2 -24.6 27 30 A V E - 0 0 73 7,-2.8 2,-0.2 1,-0.4 8,-0.2 0.353 62.0 -6.1-125.0 -1.0 -7.8 0.7 -25.2 28 31 A G E B 34 0B 24 6,-1.1 6,-3.6 138,-0.0 -1,-0.4 -0.799 360.0 360.0 167.9 145.0 -6.4 -2.7 -24.4 29 32 A S 0 0 119 4,-0.3 4,-0.3 -2,-0.2 138,-0.0 -0.983 360.0 360.0-126.0 360.0 -7.0 -6.2 -23.0 30 ! 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 31 35 A Y 0 0 87 0, 0.0 21,-1.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 113.3 -4.3 -10.0 -17.5 32 36 A G E - C 0 51B 16 19,-0.3 2,-0.3 2,-0.0 19,-0.2 -0.800 360.0-124.8 179.1 144.9 -6.7 -7.1 -17.2 33 37 A S E - C 0 50B 19 17,-2.1 17,-3.1 -4,-0.3 2,-0.4 -0.802 22.8-147.5-107.6 151.0 -8.5 -4.9 -19.7 34 38 A V E -BC 28 49B 38 -6,-3.6 -7,-2.8 -2,-0.3 -6,-1.1 -0.909 10.2-167.3-122.4 138.8 -8.3 -1.1 -19.8 35 39 A C E -BC 26 48B 0 13,-2.2 13,-3.0 -2,-0.4 2,-0.3 -0.988 22.1-132.9-118.9 134.1 -10.7 1.6 -20.8 36 40 A A E +BC 25 47B 5 -11,-3.1 -11,-2.8 -2,-0.4 2,-0.3 -0.648 43.5 170.3 -68.6 139.8 -9.9 5.3 -21.3 37 41 A A E - C 0 46B 4 9,-2.2 9,-2.0 -2,-0.3 2,-0.5 -0.920 35.3-115.1-146.8 175.3 -12.6 7.2 -19.4 38 42 A F E -BC 22 45B 80 -16,-2.3 -16,-2.6 -2,-0.3 2,-1.0 -0.976 18.3-144.7-120.6 122.5 -13.6 10.7 -18.2 39 43 A D E >> -BC 21 44B 5 5,-3.4 4,-2.8 -2,-0.5 5,-0.7 -0.796 12.2-168.0 -85.4 102.7 -13.8 11.4 -14.5 40 44 A T T 45S+ 0 0 72 -20,-2.9 -1,-0.2 -2,-1.0 -19,-0.1 0.855 83.0 60.8 -63.4 -34.6 -16.7 13.8 -14.2 41 45 A K T 45S+ 0 0 158 -21,-0.2 -1,-0.2 1,-0.2 -20,-0.1 0.915 123.6 17.5 -55.0 -43.7 -15.9 14.7 -10.6 42 46 A T T 45S- 0 0 54 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.2 0.559 96.6-123.3-108.9 -14.7 -12.4 16.0 -11.5 43 47 A G T <5 + 0 0 42 -4,-2.8 2,-0.2 1,-0.3 -3,-0.2 0.542 67.1 137.1 75.9 8.8 -12.7 16.6 -15.3 44 48 A L E < -C 39 0B 66 -5,-0.7 -5,-3.4 -6,-0.0 2,-0.5 -0.615 59.8-122.0 -94.4 149.6 -9.7 14.3 -15.8 45 49 A R E +C 38 0B 159 -2,-0.2 59,-2.0 -7,-0.2 2,-0.3 -0.744 42.2 178.6 -79.2 123.4 -9.0 11.6 -18.3 46 50 A V E -CD 37 103B 0 -9,-2.0 -9,-2.2 -2,-0.5 2,-0.5 -0.789 29.3-125.9-122.2 165.6 -8.3 8.4 -16.4 47 51 A A E -CD 36 102B 13 55,-3.0 55,-2.1 -2,-0.3 2,-0.6 -0.965 20.3-158.9-106.2 134.4 -7.5 4.8 -17.2 48 52 A V E -CD 35 101B 0 -13,-3.0 -13,-2.2 -2,-0.5 2,-0.6 -0.956 5.8-163.0-110.3 117.1 -9.8 2.1 -15.7 49 53 A K E -CD 34 100B 43 51,-3.5 51,-2.3 -2,-0.6 2,-0.7 -0.879 4.4-161.3-100.7 120.0 -8.3 -1.3 -15.4 50 54 A K E -CD 33 99B 25 -17,-3.1 -17,-2.1 -2,-0.6 49,-0.2 -0.858 22.8-132.5 -94.6 115.5 -10.7 -4.2 -14.9 51 55 A L E -C 32 0B 11 47,-2.3 2,-0.6 -2,-0.7 47,-0.3 -0.412 22.2-113.6 -69.4 140.7 -8.7 -7.1 -13.6 52 56 A S S S- 0 0 51 -21,-1.4 4,-0.2 1,-0.2 -1,-0.1 -0.637 79.3 -34.6 -76.3 113.9 -9.4 -10.5 -15.4 53 57 A R S > S- 0 0 156 -2,-0.6 3,-1.3 1,-0.1 4,-0.3 0.891 75.3-172.4 44.4 63.0 -11.0 -13.1 -13.1 54 58 A P T 3 S+ 0 0 1 0, 0.0 10,-0.3 0, 0.0 3,-0.2 0.759 75.1 32.2 -67.7 -28.8 -9.0 -11.9 -10.1 55 59 A F T 3 S+ 0 0 14 41,-0.4 -2,-0.1 1,-0.1 3,-0.1 -0.056 91.6 94.6-119.5 37.1 -10.0 -14.6 -7.6 56 60 A Q S < S+ 0 0 113 -3,-1.3 2,-0.3 -4,-0.2 -1,-0.1 0.477 91.0 28.8-107.4 -7.5 -10.4 -17.6 -10.0 57 61 A S S > S- 0 0 45 -4,-0.3 4,-2.8 -3,-0.2 5,-0.2 -0.983 78.3-121.9-141.4 154.1 -6.9 -18.9 -9.5 58 62 A I H > S+ 0 0 105 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.906 116.0 54.8 -56.5 -40.3 -4.5 -18.8 -6.6 59 63 A I H > S+ 0 0 124 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.946 112.0 43.4 -60.4 -47.9 -2.0 -17.1 -8.9 60 64 A H H > S+ 0 0 34 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.895 111.0 54.0 -61.5 -42.8 -4.5 -14.4 -9.8 61 65 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.942 113.1 42.7 -63.0 -44.7 -5.7 -13.9 -6.2 62 66 A K H X S+ 0 0 42 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.920 114.4 49.8 -64.9 -46.3 -2.2 -13.2 -4.9 63 67 A R H X S+ 0 0 114 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.872 109.8 53.0 -60.3 -38.6 -1.3 -11.0 -7.9 64 68 A T H X S+ 0 0 6 -4,-2.5 4,-2.1 -10,-0.3 5,-0.2 0.950 111.6 43.5 -63.6 -49.5 -4.5 -9.1 -7.4 65 69 A Y H X S+ 0 0 16 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.927 115.3 50.9 -61.2 -45.3 -3.8 -8.4 -3.7 66 70 A R H X S+ 0 0 60 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.826 109.5 47.6 -63.8 -37.2 -0.1 -7.6 -4.4 67 71 A E H X S+ 0 0 41 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.920 115.7 45.3 -73.2 -42.3 -0.9 -5.1 -7.2 68 72 A L H X S+ 0 0 1 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.912 114.7 46.0 -64.0 -50.8 -3.5 -3.3 -5.1 69 73 A R H X S+ 0 0 36 -4,-2.9 4,-0.6 -5,-0.2 -1,-0.2 0.864 116.2 47.9 -63.7 -36.1 -1.4 -3.2 -1.9 70 74 A L H >< S+ 0 0 31 -4,-1.6 3,-1.5 -5,-0.3 4,-0.3 0.976 114.3 43.2 -65.2 -57.1 1.6 -2.0 -3.9 71 75 A L H >< S+ 0 0 21 -4,-3.0 3,-1.1 1,-0.3 11,-0.6 0.788 103.5 64.7 -66.8 -28.5 -0.1 0.7 -5.9 72 76 A K H 3< S+ 0 0 23 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.792 110.8 41.6 -58.8 -27.7 -2.0 2.0 -2.9 73 77 A H T << S+ 0 0 22 -3,-1.5 2,-0.8 -4,-0.6 235,-0.4 0.340 87.3 102.5-104.1 5.1 1.5 2.9 -1.6 74 78 A M < + 0 0 7 -3,-1.1 8,-0.4 -4,-0.3 2,-0.3 -0.796 35.7 154.4 -95.0 108.5 3.1 4.2 -4.7 75 79 A K + 0 0 141 -2,-0.8 2,-0.3 6,-0.1 5,-0.1 -0.724 25.6 118.8-139.2 78.3 3.2 8.0 -4.4 76 80 A H B > -F 79 0C 9 3,-0.5 3,-1.5 -2,-0.3 57,-0.0 -0.992 68.0-120.3-150.4 142.2 6.0 9.3 -6.5 77 81 A E T 3 S+ 0 0 109 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.763 114.7 41.6 -56.2 -28.8 6.3 11.7 -9.5 78 82 A N T 3 S+ 0 0 6 83,-0.1 84,-2.5 2,-0.1 2,-0.4 0.269 105.9 69.7-108.2 9.4 8.0 9.0 -11.5 79 83 A V B < S-Fg 76 162C 6 -3,-1.5 -3,-0.5 82,-0.3 84,-0.2 -0.974 91.1-100.0-126.6 140.6 5.8 5.9 -10.5 80 84 A I - 0 0 15 82,-2.6 2,-0.2 -2,-0.4 -2,-0.1 -0.327 42.0-153.9 -56.7 136.9 2.2 5.3 -11.5 81 85 A G - 0 0 21 -6,-0.1 2,-0.6 -4,-0.1 22,-0.3 -0.745 15.1-112.8-111.7 165.0 -0.2 6.2 -8.6 82 86 A L + 0 0 12 -11,-0.6 20,-0.2 -8,-0.4 3,-0.1 -0.874 26.7 176.8-103.0 118.8 -3.7 5.0 -7.7 83 87 A L S S- 0 0 35 18,-2.4 2,-0.3 -2,-0.6 19,-0.2 0.814 70.2 -11.7 -83.8 -35.3 -6.6 7.5 -8.1 84 88 A D E -E 101 0B 27 17,-1.5 17,-2.7 253,-0.1 2,-0.3 -0.991 49.3-160.7-160.8 157.8 -9.3 5.0 -7.2 85 89 A V E +E 100 0B 9 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.970 24.4 167.3-144.2 135.6 -10.1 1.4 -6.6 86 90 A F E -E 99 0B 12 13,-2.2 13,-2.3 -2,-0.3 247,-0.0 -0.975 21.6-168.1-146.1 159.8 -13.6 -0.0 -6.7 87 91 A T - 0 0 15 -2,-0.3 11,-0.1 11,-0.2 8,-0.1 -0.973 27.0-135.0-140.7 145.5 -15.7 -3.1 -6.8 88 92 A P S S+ 0 0 23 0, 0.0 -83,-0.1 0, 0.0 2,-0.1 0.621 74.4 111.6 -71.9 -12.5 -19.5 -3.4 -7.4 89 93 A A - 0 0 12 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.343 52.3-165.2 -65.1 138.5 -19.7 -5.9 -4.4 90 94 A R S S+ 0 0 171 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.580 77.4 24.2 -95.4 -14.6 -21.5 -4.8 -1.3 91 95 A S S > S- 0 0 33 1,-0.1 3,-0.5 0, 0.0 4,-0.3 -0.910 80.5-110.0-142.7 169.6 -20.0 -7.7 0.6 92 96 A L G > S+ 0 0 52 -2,-0.3 3,-1.3 1,-0.2 -1,-0.1 0.862 114.4 65.2 -65.2 -34.8 -17.0 -10.0 0.7 93 97 A E G 3 S+ 0 0 164 1,-0.3 -1,-0.2 -3,-0.0 -4,-0.0 0.741 110.3 34.6 -64.3 -26.3 -19.4 -12.9 -0.3 94 98 A E G < S+ 0 0 99 -3,-0.5 2,-1.0 3,-0.0 -1,-0.3 0.343 85.6 127.1-107.3 8.7 -20.1 -11.3 -3.6 95 99 A F < + 0 0 0 -3,-1.3 3,-0.1 -4,-0.3 234,-0.1 -0.520 17.7 131.3 -73.9 100.2 -16.6 -9.9 -4.2 96 100 A N + 0 0 77 -2,-1.0 -41,-0.4 1,-0.2 2,-0.4 0.433 56.2 53.9-124.9 -6.5 -15.5 -11.1 -7.6 97 101 A D - 0 0 46 -3,-0.2 2,-0.4 -44,-0.1 -8,-0.3 -0.982 52.2-168.5-138.9 147.3 -14.2 -8.1 -9.5 98 102 A V - 0 0 0 -2,-0.4 -47,-2.3 -47,-0.3 2,-0.4 -1.000 3.6-167.7-136.2 133.6 -11.7 -5.3 -8.9 99 103 A Y E -DE 50 86B 2 -13,-2.3 -13,-2.2 -2,-0.4 2,-0.4 -0.981 4.4-161.6-123.8 136.2 -11.1 -2.1 -10.9 100 104 A L E -DE 49 85B 7 -51,-2.3 -51,-3.5 -2,-0.4 2,-0.4 -0.950 5.8-157.2-117.9 135.8 -8.1 0.2 -10.6 101 105 A V E +DE 48 84B 0 -17,-2.7 -18,-2.4 -2,-0.4 -17,-1.5 -0.951 18.6 161.0-119.2 134.1 -8.1 3.8 -11.8 102 106 A T E -D 47 0B 25 -55,-2.1 -55,-3.0 -2,-0.4 -20,-0.1 -0.826 50.6 -76.3-133.7 171.4 -5.0 5.8 -12.7 103 107 A H E -D 46 0B 90 -22,-0.3 2,-0.4 -57,-0.3 -57,-0.3 -0.481 60.5-105.8 -62.2 143.6 -4.3 9.0 -14.7 104 108 A L - 0 0 47 -59,-2.0 2,-0.3 -67,-0.1 -59,-0.1 -0.652 34.0-145.9 -79.5 128.8 -4.5 8.1 -18.4 105 109 A M - 0 0 38 -2,-0.4 3,-0.1 1,-0.1 50,-0.1 -0.673 15.2-174.6 -89.4 146.3 -1.1 7.9 -20.1 106 110 A G + 0 0 64 1,-0.3 -1,-0.1 -2,-0.3 49,-0.1 0.467 58.6 18.6-100.8-108.7 -0.5 8.9 -23.7 107 111 A A - 0 0 38 47,-0.2 47,-1.9 46,-0.1 -1,-0.3 -0.150 65.2-149.2 -62.6 152.6 2.9 8.4 -25.3 108 112 A D B >> -H 153 0C 28 45,-0.3 4,-1.2 -3,-0.1 3,-0.6 -0.595 38.4 -90.7-107.5 178.5 5.6 6.1 -24.0 109 113 A L H 3> S+ 0 0 0 43,-2.2 4,-2.2 40,-1.3 5,-0.2 0.794 125.1 62.5 -60.1 -28.7 9.4 6.4 -24.2 110 114 A N H 3> S+ 0 0 26 39,-0.7 4,-1.7 42,-0.2 -1,-0.2 0.885 98.2 54.2 -64.5 -41.7 9.2 4.4 -27.5 111 115 A N H <> S+ 0 0 74 -3,-0.6 4,-1.0 2,-0.2 -1,-0.2 0.837 109.6 51.2 -57.4 -37.7 7.1 7.2 -29.1 112 116 A I H >X S+ 0 0 18 -4,-1.2 4,-1.5 2,-0.2 3,-0.8 0.983 110.6 43.1 -62.7 -59.6 9.9 9.6 -28.1 113 117 A V H 3< S+ 0 0 10 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.768 116.6 48.8 -68.6 -23.0 12.9 7.7 -29.5 114 118 A K H 3< S+ 0 0 135 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.750 113.2 47.2 -81.3 -25.1 11.1 6.9 -32.7 115 119 A S H << S+ 0 0 84 -4,-1.0 2,-0.3 -3,-0.8 -2,-0.2 0.676 120.5 7.9 -93.8 -18.3 9.9 10.5 -33.3 116 120 A Q < - 0 0 87 -4,-1.5 2,-0.5 -5,-0.1 -1,-0.1 -0.982 68.7-106.8-156.0 159.1 13.1 12.4 -32.7 117 121 A K - 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0 0 4 -4,-2.6 -1,-0.1 -5,-0.3 27,-0.1 0.052 40.1 -64.4 94.0 151.2 33.0 -9.8 -23.3 228 241 A T - 0 0 27 24,-2.0 26,-0.1 1,-0.1 50,-0.1 -0.348 69.7 -90.1 -70.2 153.5 32.6 -13.5 -22.4 229 242 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.279 39.5-124.1 -68.4 154.3 32.5 -14.2 -18.7 230 243 A G > - 0 0 50 -3,-0.1 4,-2.7 1,-0.0 5,-0.2 -0.215 39.5 -81.9 -81.1-177.2 35.7 -14.8 -16.8 231 244 A A H > S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.873 125.2 47.7 -56.4 -46.7 36.5 -17.9 -14.6 232 245 A E H > S+ 0 0 137 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.862 114.1 46.3 -73.8 -32.4 34.7 -16.8 -11.4 233 246 A L H >4 S+ 0 0 39 1,-0.2 3,-1.1 2,-0.2 4,-0.5 0.932 111.4 53.6 -67.6 -46.7 31.5 -15.7 -13.3 234 247 A L H >< S+ 0 0 29 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.863 103.7 56.8 -53.2 -38.6 31.6 -19.0 -15.2 235 248 A K H 3< S+ 0 0 145 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.742 94.2 64.9 -72.2 -22.9 31.8 -21.0 -12.1 236 249 A K T << S+ 0 0 109 -3,-1.1 2,-0.9 -4,-0.7 -1,-0.3 0.616 83.2 88.0 -72.9 -12.7 28.6 -19.5 -10.7 237 250 A I < - 0 0 20 -3,-1.4 6,-0.1 -4,-0.5 -1,-0.1 -0.795 65.2-168.1 -88.0 103.2 26.8 -21.2 -13.6 238 251 A S + 0 0 111 -2,-0.9 2,-0.6 4,-0.1 -1,-0.2 0.752 57.6 88.9 -69.6 -29.8 26.1 -24.6 -12.1 239 252 A S > - 0 0 50 1,-0.1 4,-2.6 2,-0.0 5,-0.2 -0.607 61.1-156.8 -77.3 118.5 25.0 -26.5 -15.3 240 253 A E H > S+ 0 0 132 -2,-0.6 4,-2.9 1,-0.2 -1,-0.1 0.845 94.9 51.5 -58.1 -40.3 27.9 -28.1 -17.1 241 254 A S H > S+ 0 0 93 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.887 111.1 48.1 -67.6 -38.2 26.1 -28.1 -20.5 242 255 A A H > S+ 0 0 34 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.932 113.4 47.3 -66.1 -44.8 25.3 -24.4 -20.1 243 256 A R H X S+ 0 0 68 -4,-2.6 4,-3.8 2,-0.2 5,-0.2 0.925 111.1 52.1 -60.5 -47.3 29.0 -23.7 -19.2 244 257 A N H X S+ 0 0 77 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.912 109.5 48.2 -58.4 -44.2 30.1 -25.8 -22.1 245 258 A Y H X S+ 0 0 97 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.952 115.2 45.5 -60.3 -47.8 27.9 -23.9 -24.6 246 259 A I H >< S+ 0 0 21 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.953 113.5 48.9 -60.4 -48.7 29.1 -20.6 -23.2 247 260 A Q H 3< S+ 0 0 81 -4,-3.8 -1,-0.2 1,-0.2 -2,-0.2 0.877 105.4 61.3 -54.1 -38.8 32.7 -21.8 -23.2 248 261 A S H 3< S+ 0 0 88 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.687 82.5 96.5 -67.7 -21.1 32.2 -22.9 -26.8 249 262 A L S << S- 0 0 41 -3,-1.3 2,-0.1 -4,-0.8 -21,-0.0 -0.352 97.8 -88.0 -66.8 152.2 31.4 -19.4 -28.1 250 263 A T - 0 0 111 1,-0.1 2,-0.8 -2,-0.0 -1,-0.1 -0.461 53.8-102.6 -62.4 129.7 34.3 -17.6 -29.7 251 264 A Q - 0 0 117 -2,-0.1 -1,-0.1 -4,-0.1 -4,-0.1 -0.419 43.4-155.7 -61.2 101.0 36.0 -15.8 -26.7 252 265 A M - 0 0 60 -2,-0.8 -24,-2.0 1,-0.0 -1,-0.1 -0.641 5.9-136.0 -83.4 126.2 34.8 -12.2 -27.1 253 266 A P - 0 0 100 0, 0.0 2,-0.4 0, 0.0 -26,-0.3 -0.365 34.2 -93.9 -70.7 159.8 36.9 -9.4 -25.7 254 267 A K - 0 0 107 -28,-0.2 -28,-0.2 -27,-0.1 2,-0.1 -0.620 43.4-127.5 -70.5 125.6 35.2 -6.6 -23.8 255 268 A M - 0 0 64 -30,-1.8 2,-0.9 -2,-0.4 3,-0.1 -0.471 18.7-114.0 -69.6 145.5 34.5 -3.7 -26.2 256 269 A N >> - 0 0 75 1,-0.2 4,-2.2 -2,-0.1 3,-1.2 -0.739 22.2-153.4 -78.9 110.5 35.6 -0.2 -25.2 257 270 A F H 3> S+ 0 0 0 -2,-0.9 4,-3.0 1,-0.3 -1,-0.2 0.756 92.2 60.3 -56.0 -27.2 32.3 1.7 -24.7 258 271 A A H 34 S+ 0 0 53 2,-0.2 -1,-0.3 1,-0.2 6,-0.2 0.803 109.0 42.0 -70.9 -33.2 34.1 5.0 -25.6 259 272 A N H X4 S+ 0 0 118 -3,-1.2 3,-0.7 2,-0.1 -2,-0.2 0.860 117.2 48.3 -78.1 -40.8 35.0 3.7 -29.0 260 273 A V H 3< S+ 0 0 66 -4,-2.2 2,-0.9 1,-0.2 3,-0.2 0.963 118.9 37.0 -61.4 -56.4 31.5 2.1 -29.5 261 274 A F T >< S+ 0 0 12 -4,-3.0 3,-2.2 1,-0.2 -1,-0.2 -0.402 78.7 161.4 -97.5 58.8 29.5 5.2 -28.4 262 275 A I T < + 0 0 138 -2,-0.9 -1,-0.2 -3,-0.7 -2,-0.1 0.725 67.4 45.4 -61.4 -31.1 31.9 7.6 -30.0 263 276 A G T 3 S+ 0 0 80 -3,-0.2 -1,-0.3 -4,-0.1 2,-0.2 0.321 93.0 102.8 -95.5 11.6 29.5 10.6 -30.2 264 277 A A S < S- 0 0 25 -3,-2.2 -3,-0.0 -6,-0.2 -59,-0.0 -0.534 85.5 -85.9 -94.2 158.3 28.1 10.4 -26.6 265 278 A N >> - 0 0 48 -2,-0.2 4,-2.3 1,-0.2 3,-0.7 -0.417 37.1-130.4 -51.8 125.5 28.9 12.4 -23.5 266 279 A P H 3> S+ 0 0 107 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.807 109.8 55.1 -55.8 -28.4 31.9 10.7 -21.9 267 280 A L H 3> S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 27,-0.3 0.858 105.7 49.9 -69.9 -38.2 29.9 10.8 -18.6 268 281 A A H <> S+ 0 0 0 -3,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.941 111.8 50.3 -62.2 -45.0 27.0 9.0 -20.2 269 282 A V H X S+ 0 0 10 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.891 108.9 50.7 -59.9 -40.8 29.5 6.4 -21.5 270 283 A D H X S+ 0 0 63 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.940 111.8 47.0 -64.7 -46.1 31.0 6.0 -18.0 271 284 A L H >X S+ 0 0 0 -4,-2.2 4,-1.1 1,-0.2 3,-0.6 0.920 109.0 55.7 -57.8 -46.0 27.6 5.5 -16.4 272 285 A L H >X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 3,-0.8 0.899 103.9 54.0 -51.3 -47.5 26.8 3.0 -19.2 273 286 A E H 3< S+ 0 0 48 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.833 108.5 50.1 -56.5 -35.1 29.9 1.0 -18.3 274 287 A K H << S+ 0 0 90 -4,-1.2 10,-2.6 -3,-0.6 3,-0.3 0.625 114.0 44.2 -81.2 -15.9 28.7 0.8 -14.7 275 288 A M H << S+ 0 0 0 -4,-1.1 2,-1.1 -3,-0.8 -2,-0.2 0.885 107.9 54.9 -90.6 -47.9 25.2 -0.5 -15.7 276 289 A L S < S+ 0 0 3 -4,-2.4 2,-0.4 -5,-0.2 -1,-0.2 -0.247 72.8 135.2 -90.4 46.3 26.1 -3.1 -18.3 277 290 A V - 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