==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-JAN-10 3LFD . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.GRUETTER,J.R.SIMARD,M.GETLIK,D.RAUH . 331 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17074.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 63.4 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 . 37 11.2 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 . 2 0.6 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 . 26 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 29.9 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 3 0 1 0 0 1 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 . 1 1 2 1 3 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 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 0 149 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.2 42.6 -17.1 -28.1 2 5 A R - 0 0 112 1,-0.1 3,-0.1 85,-0.0 85,-0.0 -0.631 360.0-128.1 -66.2 115.5 42.3 -14.4 -25.5 3 6 A P - 0 0 70 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.111 26.0 -87.9 -61.3 178.9 41.9 -11.2 -27.6 4 7 A T - 0 0 89 1,-0.0 15,-2.4 2,-0.0 16,-0.2 -0.829 44.6-164.2 -99.5 125.9 44.1 -8.1 -27.1 5 8 A F E -A 18 0A 23 -2,-0.5 2,-0.3 13,-0.3 11,-0.1 -0.298 2.6-150.9 -93.0 176.3 42.9 -5.5 -24.6 6 9 A Y E -A 17 0A 52 11,-1.4 11,-1.6 -2,-0.1 2,-0.4 -0.984 15.8-120.0-151.3 153.6 43.7 -1.9 -24.0 7 10 A R E +A 16 0A 164 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.709 37.3 164.6 -86.9 133.8 43.8 0.6 -21.1 8 11 A Q E -A 15 0A 64 7,-0.9 7,-1.4 -2,-0.4 2,-0.4 -0.990 22.8-151.8-147.7 147.8 41.6 3.8 -21.4 9 12 A E E +A 14 0A 123 -2,-0.3 5,-0.2 5,-0.2 3,-0.0 -0.981 24.9 154.9-122.7 135.2 40.4 6.5 -18.9 10 13 A L S S- 0 0 42 3,-1.0 2,-0.2 -2,-0.4 -1,-0.1 0.694 75.0 -13.2-125.1 -48.5 37.2 8.4 -19.4 11 14 A N S S- 0 0 130 2,-0.3 3,-0.1 0, 0.0 -1,-0.0 -0.647 120.5 -37.7-161.2 108.5 36.1 9.6 -15.9 12 15 A K S S+ 0 0 95 -2,-0.2 2,-0.4 1,-0.1 -3,-0.0 0.499 115.8 96.0 63.4 7.7 37.5 8.3 -12.6 13 16 A T - 0 0 34 2,-0.0 -3,-1.0 0, 0.0 2,-0.9 -0.971 68.4-141.7-138.5 140.0 37.7 4.8 -14.2 14 17 A I E -A 9 0A 73 -2,-0.4 2,-0.7 -5,-0.2 -5,-0.2 -0.772 26.2-165.2-100.1 87.0 40.2 2.6 -15.9 15 18 A W E -A 8 0A 1 -7,-1.4 -7,-0.9 -2,-0.9 2,-0.6 -0.644 2.7-168.4 -75.7 110.7 38.1 0.9 -18.6 16 19 A E E +A 7 0A 41 -2,-0.7 -9,-0.2 -9,-0.2 -2,-0.0 -0.921 20.5 158.9-101.8 119.0 40.0 -2.1 -20.0 17 20 A V E -A 6 0A 1 -11,-1.6 -11,-1.4 -2,-0.6 2,-0.0 -0.941 42.2 -93.2-139.0 154.8 38.3 -3.4 -23.2 18 21 A P E > -A 5 0A 5 0, 0.0 3,-1.8 0, 0.0 -13,-0.3 -0.319 36.2-115.5 -64.8 153.2 39.2 -5.6 -26.3 19 22 A E T 3 S+ 0 0 102 -15,-2.4 -14,-0.1 1,-0.3 18,-0.1 0.840 109.7 79.6 -57.8 -34.4 40.4 -3.8 -29.5 20 23 A R T 3 S+ 0 0 55 -16,-0.2 17,-2.8 16,-0.1 2,-0.6 0.787 86.2 66.0 -36.0 -40.0 37.1 -5.2 -31.1 21 24 A Y E < S+B 36 0B 0 -3,-1.8 15,-0.2 15,-0.2 2,-0.2 -0.846 75.9 176.4-102.4 119.3 35.3 -2.3 -29.3 22 25 A Q E +B 35 0B 63 13,-2.8 13,-2.9 -2,-0.6 3,-0.2 -0.645 44.2 29.9-125.9 169.1 36.3 1.2 -30.6 23 26 A N E S- 0 0 128 -2,-0.2 2,-0.2 11,-0.2 -1,-0.2 0.872 77.4-158.1 50.1 48.2 35.6 5.0 -30.5 24 27 A L E + 0 0 18 -3,-0.2 10,-0.2 10,-0.1 -1,-0.2 -0.354 17.6 177.5 -70.6 123.7 34.6 4.6 -26.8 25 28 A S E -B 33 0B 51 8,-2.9 8,-3.2 -2,-0.2 2,-0.2 -0.973 27.2-121.0-125.2 139.6 32.4 7.3 -25.4 26 29 A P E +B 32 0B 70 0, 0.0 6,-0.3 0, 0.0 8,-0.0 -0.549 26.3 177.3 -79.7 143.5 30.8 7.6 -21.8 27 30 A V 0 0 84 4,-3.0 5,-0.1 1,-0.6 -2,-0.0 -0.130 360.0 360.0-141.8 44.6 27.0 7.9 -21.5 28 31 A G 0 0 89 3,-0.1 3,-2.3 2,-0.0 -1,-0.6 -0.254 360.0 360.0 87.9 360.0 25.9 8.0 -17.9 29 ! 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 30 37 A S 0 0 59 0, 0.0 17,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 167.7 28.9 3.1 -15.3 31 38 A V E - C 0 46B 41 -3,-2.3 -4,-3.0 15,-0.2 2,-0.3 -0.941 360.0-175.4-131.7 135.4 28.3 2.8 -19.1 32 39 A C E -BC 26 45B 3 13,-2.4 13,-4.0 -2,-0.4 2,-0.4 -0.962 20.8-133.1-127.2 146.2 30.1 3.7 -22.3 33 40 A A E +BC 25 44B 2 -8,-3.2 -8,-2.9 -2,-0.3 2,-0.3 -0.812 33.8 167.2 -98.0 137.6 29.0 3.5 -26.0 34 41 A A E - C 0 43B 0 9,-2.8 9,-2.9 -2,-0.4 2,-0.6 -0.842 36.8-108.5-140.3 173.8 31.3 1.9 -28.5 35 42 A F E -BC 22 42B 74 -13,-2.9 -13,-2.8 -2,-0.3 2,-0.4 -0.947 26.5-145.6-111.2 114.9 31.7 0.5 -32.0 36 43 A D E > -B 21 0B 0 5,-2.1 4,-1.3 -2,-0.6 5,-0.3 -0.651 10.8-169.4 -76.9 128.1 32.1 -3.2 -32.3 37 44 A T T 4 S+ 0 0 78 -17,-2.8 -1,-0.1 -2,-0.4 -16,-0.1 0.725 80.9 58.0 -93.9 -25.8 34.4 -4.0 -35.3 38 45 A K T 4 S+ 0 0 161 -18,-0.3 -1,-0.1 1,-0.1 -17,-0.1 0.908 123.7 23.3 -64.9 -42.1 33.8 -7.8 -35.4 39 46 A T T 4 S- 0 0 30 2,-0.2 -2,-0.2 -19,-0.1 -1,-0.1 0.783 96.1-130.0 -97.7 -35.4 30.1 -7.3 -35.9 40 47 A G < + 0 0 46 -4,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.672 65.1 123.3 88.0 19.9 29.7 -3.8 -37.3 41 48 A L - 0 0 52 -5,-0.3 -5,-2.1 0, 0.0 2,-0.4 -0.751 67.0-112.3-108.4 155.9 27.1 -2.7 -34.8 42 49 A R E -C 35 0B 99 -2,-0.3 59,-1.8 -7,-0.2 2,-0.3 -0.745 43.6-170.6 -81.2 134.7 26.9 0.1 -32.3 43 50 A V E -CD 34 100B 0 -9,-2.9 -9,-2.8 -2,-0.4 2,-0.5 -0.888 25.4-139.6-127.8 156.4 27.1 -1.2 -28.8 44 51 A A E -CD 33 99B 27 55,-3.1 55,-2.0 -2,-0.3 2,-0.5 -0.981 21.8-155.6-109.5 128.3 26.6 -0.0 -25.2 45 52 A V E -CD 32 98B 0 -13,-4.0 -13,-2.4 -2,-0.5 2,-0.6 -0.910 0.2-155.5-104.9 132.0 29.1 -1.5 -22.7 46 53 A K E -CD 31 97B 79 51,-3.4 51,-2.7 -2,-0.5 2,-0.6 -0.926 1.4-160.6-107.9 109.3 28.3 -1.7 -19.0 47 54 A K E - D 0 96B 29 -17,-2.2 2,-0.3 -2,-0.6 49,-0.2 -0.805 32.8-114.7 -85.2 123.6 31.2 -1.8 -16.6 48 55 A L - 0 0 22 47,-3.5 2,-0.4 -2,-0.6 47,-0.3 -0.434 23.9-125.3 -76.2 125.6 29.9 -3.2 -13.4 49 56 A S S S- 0 0 74 -2,-0.3 4,-0.2 1,-0.3 -1,-0.1 -0.515 81.0 -20.3 -77.5 118.2 29.9 -0.8 -10.4 50 57 A R S > S- 0 0 45 -2,-0.4 3,-1.2 2,-0.1 4,-0.3 0.971 77.1-165.1 46.5 73.2 31.7 -2.1 -7.3 51 58 A P T 3 S+ 0 0 20 0, 0.0 10,-0.3 0, 0.0 3,-0.1 0.898 78.3 14.6 -59.9 -50.6 31.4 -5.7 -8.4 52 59 A F T 3 S+ 0 0 22 41,-0.2 -2,-0.1 5,-0.1 3,-0.1 -0.390 85.9 121.8-123.6 51.7 32.3 -7.4 -5.1 53 60 A Q S < S+ 0 0 139 -3,-1.2 2,-0.2 1,-0.2 -1,-0.1 0.976 84.0 3.2 -69.5 -64.3 31.9 -4.6 -2.6 54 61 A S S > S- 0 0 36 -4,-0.3 4,-2.2 -3,-0.1 3,-0.4 -0.691 78.4-104.2-116.3 170.1 29.3 -6.3 -0.5 55 62 A I H > S+ 0 0 76 1,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.898 125.7 56.6 -53.9 -40.8 27.5 -9.7 -0.5 56 63 A I H > S+ 0 0 80 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.765 106.6 48.7 -65.0 -28.2 24.6 -7.7 -1.9 57 64 A H H > S+ 0 0 50 -3,-0.4 4,-3.2 2,-0.2 -2,-0.2 0.957 112.4 44.8 -75.1 -54.7 26.8 -6.5 -4.8 58 65 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.922 114.5 51.7 -51.8 -48.0 28.2 -9.9 -5.8 59 66 A K H X S+ 0 0 53 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.891 112.3 45.7 -56.2 -43.0 24.7 -11.3 -5.5 60 67 A R H X S+ 0 0 150 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.914 113.6 48.4 -68.7 -45.3 23.4 -8.5 -7.8 61 68 A T H X S+ 0 0 4 -4,-3.2 4,-2.1 -10,-0.3 -2,-0.2 0.943 112.4 48.2 -58.6 -53.2 26.2 -8.9 -10.3 62 69 A Y H X S+ 0 0 6 -4,-2.9 4,-2.0 -5,-0.2 -1,-0.2 0.880 113.4 48.6 -52.3 -45.0 25.8 -12.7 -10.5 63 70 A R H X S+ 0 0 111 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.921 108.2 52.9 -65.1 -49.7 22.0 -12.4 -10.9 64 71 A E H X S+ 0 0 56 -4,-2.5 4,-2.0 2,-0.2 5,-0.3 0.885 112.1 46.3 -50.9 -48.3 22.3 -9.8 -13.7 65 72 A L H X S+ 0 0 2 -4,-2.1 4,-3.8 2,-0.2 5,-0.4 0.996 109.9 48.8 -63.1 -66.5 24.6 -12.0 -15.7 66 73 A R H X S+ 0 0 44 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.782 113.4 51.9 -46.9 -34.5 22.8 -15.3 -15.5 67 74 A L H X S+ 0 0 37 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.990 117.2 33.2 -63.5 -64.9 19.6 -13.5 -16.5 68 75 A L H < S+ 0 0 25 -4,-2.0 11,-0.5 2,-0.3 -2,-0.2 0.810 115.6 58.3 -67.5 -31.5 20.8 -11.7 -19.6 69 76 A K H < S+ 0 0 53 -4,-3.8 -1,-0.2 -5,-0.3 -2,-0.2 0.929 112.5 42.0 -58.8 -42.3 23.1 -14.6 -20.4 70 77 A H H < S+ 0 0 48 -4,-1.5 2,-0.5 -5,-0.4 -2,-0.3 0.701 96.4 99.1 -75.3 -22.5 19.9 -16.7 -20.4 71 78 A M < + 0 0 7 -4,-1.2 8,-0.6 6,-0.2 2,-0.3 -0.579 38.7 157.2 -78.8 116.5 18.0 -14.0 -22.3 72 79 A K + 0 0 123 -2,-0.5 2,-0.3 6,-0.2 5,-0.1 -0.812 23.9 118.3-140.3 94.7 17.7 -14.6 -26.1 73 80 A H B > -F 76 0C 19 3,-0.6 3,-1.1 -2,-0.3 5,-0.3 -0.969 64.1-124.3-158.3 142.4 14.7 -12.8 -27.8 74 81 A E T 3 S+ 0 0 124 -2,-0.3 -1,-0.1 1,-0.2 56,-0.1 0.786 115.5 38.1 -55.4 -30.4 14.2 -10.2 -30.5 75 82 A N T 3 S+ 0 0 5 83,-0.1 84,-1.7 54,-0.1 2,-0.3 0.351 108.1 70.0-108.3 2.6 12.2 -8.1 -28.0 76 83 A V B < S-Fg 73 159C 5 -3,-1.1 2,-0.9 82,-0.3 -3,-0.6 -0.942 91.7-100.6-121.2 147.0 14.2 -8.6 -24.8 77 84 A I + 0 0 35 82,-2.0 -6,-0.2 -2,-0.3 -3,-0.1 -0.503 49.9 172.0 -70.9 101.1 17.7 -7.3 -24.0 78 85 A G - 0 0 16 -2,-0.9 2,-0.4 -5,-0.3 -6,-0.2 -0.160 33.8 -93.8 -88.4-167.8 20.1 -10.2 -24.5 79 86 A L - 0 0 12 -8,-0.6 20,-0.2 -11,-0.5 3,-0.1 -0.941 22.4-173.9-115.1 138.4 23.9 -10.1 -24.5 80 87 A L S S- 0 0 30 18,-3.0 2,-0.3 -2,-0.4 19,-0.2 0.707 78.0 -21.3 -90.9 -30.3 26.3 -9.7 -27.4 81 88 A D E -E 98 0B 22 17,-1.6 17,-2.4 249,-0.1 -1,-0.4 -0.977 46.6-156.7-165.6 165.9 29.3 -10.3 -25.2 82 89 A V E +E 97 0B 6 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.900 26.8 172.3-149.1 128.6 30.7 -10.3 -21.7 83 90 A F E -E 96 0B 14 13,-1.8 13,-1.6 -2,-0.3 243,-0.1 -0.918 19.5-163.8-135.9 163.2 34.4 -10.0 -21.0 84 91 A T - 0 0 19 -2,-0.3 11,-0.1 11,-0.2 -67,-0.1 -0.974 23.7-138.2-147.2 134.7 37.0 -9.5 -18.3 85 92 A P S S+ 0 0 22 0, 0.0 2,-0.6 0, 0.0 10,-0.1 0.156 75.6 105.3 -76.6 23.1 40.7 -8.4 -18.5 86 93 A A - 0 0 10 8,-0.2 -2,-0.1 1,-0.1 6,-0.1 -0.915 53.6-165.5-111.6 120.3 41.6 -11.1 -16.0 87 94 A R S S+ 0 0 168 -2,-0.6 2,-0.3 4,-0.0 -1,-0.1 0.436 78.0 26.8 -80.1 0.6 43.3 -14.3 -17.1 88 95 A S S > S- 0 0 34 1,-0.1 4,-0.7 0, 0.0 3,-0.2 -0.991 80.7-108.1-156.8 166.0 42.5 -15.9 -13.7 89 96 A L T >4 S+ 0 0 63 -2,-0.3 3,-0.6 1,-0.2 -1,-0.1 0.868 111.3 55.6 -59.6 -44.8 40.1 -16.0 -10.7 90 97 A E T 34 S+ 0 0 151 1,-0.3 -1,-0.2 -3,-0.1 -4,-0.0 0.852 114.1 39.6 -63.2 -37.0 42.4 -14.3 -8.2 91 98 A E T 34 S+ 0 0 87 -3,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.515 91.6 113.4 -88.5 -7.9 43.0 -11.3 -10.3 92 99 A F << + 0 0 0 -4,-0.7 3,-0.1 -3,-0.6 230,-0.1 -0.545 23.2 129.8 -70.8 120.8 39.4 -11.2 -11.4 93 100 A N + 0 0 66 -2,-0.4 2,-0.3 1,-0.2 -41,-0.2 0.233 52.0 68.4-155.1 10.6 37.7 -8.1 -10.1 94 101 A D - 0 0 56 -43,-0.1 2,-0.4 -44,-0.1 -1,-0.2 -0.999 51.7-163.8-143.2 137.6 35.9 -6.4 -13.0 95 102 A V - 0 0 1 -2,-0.3 -47,-3.5 -47,-0.3 2,-0.4 -0.986 3.6-173.3-123.9 130.6 32.9 -7.2 -15.2 96 103 A Y E -DE 47 83B 2 -13,-1.6 -13,-1.8 -2,-0.4 2,-0.4 -0.987 6.7-164.1-120.8 129.4 31.9 -5.6 -18.5 97 104 A L E -DE 46 82B 6 -51,-2.7 -51,-3.4 -2,-0.4 2,-0.5 -0.932 4.5-158.5-117.5 135.8 28.6 -6.4 -20.3 98 105 A V E +DE 45 81B 0 -17,-2.4 -18,-3.0 -2,-0.4 -17,-1.6 -0.941 18.7 156.8-123.5 119.0 27.9 -5.6 -24.0 99 106 A T E -D 44 0B 23 -55,-2.0 -55,-3.1 -2,-0.5 -20,-0.1 -0.958 50.7 -82.7-132.6 158.7 24.6 -5.2 -25.8 100 107 A H E -D 43 0B 68 -2,-0.3 2,-0.6 -57,-0.2 -57,-0.3 -0.330 50.8-115.2 -59.7 128.5 23.5 -3.5 -29.0 101 108 A L - 0 0 54 -59,-1.8 2,-0.4 -67,-0.2 -59,-0.2 -0.544 24.1-156.7 -74.4 112.8 22.8 0.2 -28.4 102 109 A M - 0 0 46 -2,-0.6 50,-0.2 1,-0.1 49,-0.1 -0.746 17.3-132.9 -85.0 138.6 19.2 1.3 -28.9 103 110 A G S S- 0 0 72 -2,-0.4 2,-0.3 1,-0.1 49,-0.2 0.862 70.8 -14.5 -62.4 -42.3 18.9 5.0 -29.6 104 111 A A E -H 151 0C 28 47,-2.0 47,-3.0 -3,-0.0 2,-0.2 -0.889 62.5-102.4-153.4 176.8 16.1 5.9 -27.2 105 112 A D E > -H 150 0C 44 -2,-0.3 3,-0.8 45,-0.2 45,-0.2 -0.620 46.7 -95.1-104.8 168.7 13.3 4.8 -24.9 106 113 A L T 3> S+ 0 0 4 43,-1.2 4,-0.7 40,-1.2 3,-0.3 0.636 119.3 66.8 -64.2 -14.5 9.5 4.8 -25.5 107 114 A N H 3>>S+ 0 0 63 39,-0.3 4,-2.8 42,-0.2 5,-0.5 0.956 112.4 28.6 -62.2 -52.5 9.3 8.2 -23.8 108 115 A N H <45S+ 0 0 105 -3,-0.8 -2,-0.2 2,-0.2 -1,-0.2 -0.079 103.7 71.5-114.8 31.4 11.2 10.0 -26.5 109 116 A I H 45S- 0 0 51 -3,-0.3 -1,-0.1 -4,-0.2 -3,-0.1 0.729 137.9 -46.7 -85.5 -59.6 10.5 8.0 -29.6 110 117 A V H <5S+ 0 0 38 -4,-0.7 -2,-0.2 -5,-0.1 5,-0.1 -0.205 91.4 128.2-166.2 75.2 7.0 9.7 -29.1 111 118 A K T <5S+ 0 0 26 -4,-2.8 -3,-0.2 3,-0.1 -4,-0.1 0.540 75.7 70.0 -93.7 -12.3 5.4 9.7 -25.7 112 119 A S S - 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0 0 1 -4,-2.2 -1,-0.2 26,-0.3 -2,-0.1 -0.074 39.3 -51.1 81.0 170.7 -14.8 0.7 -10.3 221 241 A T S S- 0 0 15 24,-0.8 2,-0.2 1,-0.2 50,-0.1 -0.087 80.4 -68.2 -63.3 172.8 -14.5 -0.5 -6.7 222 242 A P - 0 0 18 0, 0.0 -1,-0.2 0, 0.0 23,-0.1 -0.536 55.1-121.3 -67.1 134.3 -13.6 -4.1 -5.9 223 243 A G >> - 0 0 38 -2,-0.2 3,-1.5 -3,-0.1 4,-1.2 -0.241 24.4-106.6 -66.8 162.3 -16.3 -6.6 -6.8 224 244 A A H 3> S+ 0 0 82 1,-0.3 4,-0.6 2,-0.2 -1,-0.1 0.745 122.3 58.5 -63.6 -24.3 -18.0 -8.9 -4.2 225 245 A E H 34 S+ 0 0 110 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.617 102.2 54.1 -78.7 -16.2 -16.0 -11.7 -5.8 226 246 A L H X> S+ 0 0 27 -3,-1.5 3,-1.7 1,-0.1 4,-0.9 0.755 94.6 66.4 -89.7 -28.2 -12.7 -9.9 -5.0 227 247 A L H >< S+ 0 0 26 -4,-1.2 3,-0.6 1,-0.3 -2,-0.2 0.853 91.2 66.3 -56.7 -35.6 -13.4 -9.4 -1.3 228 248 A K T 3< S+ 0 0 160 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.593 101.9 47.6 -63.8 -11.1 -13.1 -13.2 -1.0 229 249 A K T <4 S+ 0 0 91 -3,-1.7 2,-0.7 2,-0.0 -1,-0.2 0.689 84.5 97.1-105.2 -23.8 -9.4 -13.0 -1.9 230 250 A I << + 0 0 21 -4,-0.9 -4,-0.0 -3,-0.6 -3,-0.0 -0.575 46.4 178.7 -67.6 109.5 -8.4 -10.2 0.4 231 251 A S + 0 0 101 -2,-0.7 2,-0.7 1,-0.0 -1,-0.2 0.658 54.1 91.4 -87.8 -16.8 -6.9 -12.0 3.5 232 252 A S > - 0 0 35 1,-0.2 4,-3.1 2,-0.0 3,-0.3 -0.728 56.4-164.6 -88.0 111.1 -6.0 -8.8 5.4 233 253 A E H > S+ 0 0 123 -2,-0.7 4,-2.3 1,-0.2 5,-0.4 0.864 89.6 67.8 -56.7 -38.7 -8.8 -7.5 7.7 234 254 A S H > S+ 0 0 109 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.935 115.9 23.5 -41.1 -60.6 -6.8 -4.2 7.7 235 255 A A H > S+ 0 0 29 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.820 115.8 67.3 -78.7 -35.9 -7.7 -3.6 4.0 236 256 A R H X S+ 0 0 91 -4,-3.1 4,-1.3 1,-0.2 -3,-0.2 0.856 102.5 44.7 -58.1 -43.1 -10.8 -5.8 3.9 237 257 A N H X S+ 0 0 94 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.827 113.7 51.1 -72.0 -33.8 -12.8 -3.5 6.2 238 258 A Y H X S+ 0 0 155 -4,-0.7 4,-0.7 -5,-0.4 -2,-0.2 0.890 103.1 58.4 -66.6 -43.2 -11.7 -0.4 4.3 239 259 A I H >< S+ 0 0 27 -4,-2.8 3,-0.5 1,-0.2 -2,-0.2 0.874 109.0 47.5 -55.2 -40.3 -12.6 -1.9 1.0 240 260 A Q H 3< S+ 0 0 121 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.974 98.9 65.5 -59.3 -59.1 -16.2 -2.2 2.3 241 261 A S H 3< S+ 0 0 85 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.586 85.4 97.9 -48.7 -17.5 -16.4 1.3 3.8 242 262 A L S << S- 0 0 53 -4,-0.7 2,-0.8 -3,-0.5 -3,-0.0 -0.186 85.4-109.5 -67.7 162.2 -16.2 2.8 0.2 243 263 A T - 0 0 133 1,-0.0 -1,-0.1 0, 0.0 -22,-0.1 -0.857 49.0-106.5 -96.1 104.0 -19.2 3.9 -1.9 244 264 A Q - 0 0 149 -2,-0.8 -21,-0.0 -4,-0.2 -1,-0.0 0.126 35.4-149.5 -39.5 131.3 -19.4 1.3 -4.6 245 265 A M - 0 0 69 -23,-0.1 -24,-0.8 -26,-0.0 2,-0.4 -0.891 8.7-132.2-109.3 127.7 -18.2 2.5 -8.0 246 266 A P - 0 0 104 0, 0.0 -26,-0.3 0, 0.0 2,-0.2 -0.660 36.2-107.6 -71.4 132.3 -19.5 1.3 -11.4 247 267 A K - 0 0 99 -2,-0.4 -28,-0.2 -28,-0.3 -29,-0.1 -0.443 44.6-110.8 -55.9 127.5 -16.6 0.5 -13.8 248 268 A M - 0 0 83 -30,-3.4 2,-0.7 -31,-0.2 -1,-0.1 -0.192 28.3-100.5 -64.8 154.0 -16.5 3.3 -16.4 249 269 A N > - 0 0 92 1,-0.2 3,-0.9 -3,-0.1 4,-0.5 -0.690 28.2-152.4 -79.8 114.7 -17.5 2.7 -20.0 250 270 A F G >> S+ 0 0 1 -2,-0.7 4,-3.2 1,-0.3 3,-0.9 0.775 89.4 64.5 -60.9 -32.5 -14.2 2.5 -21.9 251 271 A A G 34 S+ 0 0 48 1,-0.3 6,-0.3 2,-0.2 -1,-0.3 0.903 105.2 45.9 -55.5 -43.4 -15.6 3.7 -25.2 252 272 A N G <4 S+ 0 0 117 -3,-0.9 -1,-0.3 1,-0.2 3,-0.2 0.511 114.2 49.3 -81.0 -7.1 -16.3 7.1 -23.6 253 273 A V T <4 S+ 0 0 39 -3,-0.9 2,-0.7 -4,-0.5 -2,-0.2 0.749 115.8 42.5 -94.3 -35.9 -12.8 7.0 -22.1 254 274 A F S >< S- 0 0 7 -4,-3.2 3,-1.3 -5,-0.1 2,-0.5 -0.703 86.8-166.4-111.5 79.4 -11.2 6.2 -25.4 255 275 A I T 3 S- 0 0 147 -2,-0.7 -3,-0.1 1,-0.3 3,-0.1 -0.548 70.3 -2.5 -78.5 115.4 -13.1 8.5 -27.7 256 276 A G T 3 S+ 0 0 83 -2,-0.5 -1,-0.3 1,-0.3 -4,-0.1 0.481 99.9 137.6 85.5 6.4 -12.6 7.7 -31.4 257 277 A A < - 0 0 27 -3,-1.3 -1,-0.3 -6,-0.3 -3,-0.1 -0.285 66.4 -68.2 -80.5 165.5 -10.2 4.9 -30.7 258 278 A N > - 0 0 38 1,-0.1 4,-1.9 -3,-0.1 5,-0.2 -0.325 38.8-134.3 -52.4 125.3 -10.1 1.5 -32.4 259 279 A P H > S+ 0 0 104 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.853 107.8 43.3 -45.6 -43.9 -13.1 -0.7 -31.5 260 280 A L H > S+ 0 0 73 2,-0.2 4,-1.9 1,-0.2 27,-0.2 0.787 107.8 57.3 -78.4 -32.2 -10.8 -3.7 -30.8 261 281 A A H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.807 106.4 52.0 -66.5 -32.6 -8.1 -1.7 -28.9 262 282 A V H X S+ 0 0 21 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.907 108.1 50.5 -67.0 -43.6 -10.9 -0.7 -26.5 263 283 A D H X S+ 0 0 53 -4,-1.2 4,-1.6 1,-0.2 -2,-0.2 0.854 110.2 51.0 -63.0 -36.7 -11.8 -4.4 -26.1 264 284 A L H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.942 105.4 54.8 -64.6 -49.4 -8.2 -5.2 -25.4 265 285 A L H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.702 107.3 51.7 -60.9 -22.5 -7.9 -2.4 -22.7 266 286 A E H < S+ 0 0 64 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.919 110.4 46.3 -77.7 -46.5 -10.8 -3.9 -20.8 267 287 A K H < S+ 0 0 90 -4,-1.6 10,-1.2 1,-0.2 3,-0.4 0.767 119.1 43.8 -65.0 -27.3 -9.4 -7.4 -20.8 268 288 A M H < S+ 0 0 0 -4,-1.9 2,-0.6 8,-0.2 -1,-0.2 0.859 107.1 54.7 -86.6 -41.9 -6.0 -6.0 -19.7 269 289 A L S < S+ 0 0 4 -4,-1.7 2,-0.4 -5,-0.2 -1,-0.2 -0.217 71.2 148.4 -94.1 45.0 -7.0 -3.4 -17.0 270 290 A V - 0 0 39 -2,-0.6 6,-0.1 -3,-0.4 5,-0.1 -0.673 47.1-141.8 -77.1 127.0 -9.0 -5.8 -14.9 271 291 A L S S+ 0 0 30 -2,-0.4 2,-0.6 -52,-0.2 -99,-0.2 0.945 90.9 67.5 -54.7 -50.6 -8.7 -4.8 -11.2 272 292 A D S > S- 0 0 18 1,-0.2 3,-1.2 3,-0.1 4,-0.1 -0.630 76.2-153.4 -74.4 118.8 -8.6 -8.4 -10.2 273 293 A S G > S+ 0 0 21 -2,-0.6 3,-2.9 1,-0.3 -1,-0.2 0.917 91.6 62.7 -57.9 -51.1 -5.3 -9.9 -11.5 274 294 A D G 3 S+ 0 0 110 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.725 106.8 47.9 -42.1 -29.3 -6.7 -13.5 -11.7 275 295 A K G < S+ 0 0 112 -3,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.332 89.1 103.8-104.4 4.3 -9.1 -12.1 -14.3 276 296 A R S < S- 0 0 11 -3,-2.9 -8,-0.2 -4,-0.1 2,-0.2 -0.458 80.8 -94.5 -79.8 161.4 -6.6 -10.2 -16.5 277 297 A I - 0 0 21 -10,-1.2 2,-0.1 -13,-0.2 -1,-0.1 -0.504 35.6-118.8 -76.5 140.6 -5.5 -11.6 -19.9 278 298 A T > - 0 0 67 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.487 24.8-115.4 -72.8 152.7 -2.2 -13.6 -20.1 279 299 A A H > S+ 0 0 5 1,-0.2 4,-1.1 2,-0.2 -147,-0.2 0.848 119.0 50.3 -54.9 -37.4 0.5 -12.2 -22.3 280 300 A A H > S+ 0 0 47 2,-0.2 4,-1.0 1,-0.2 3,-0.3 0.916 110.0 48.8 -68.2 -44.2 0.1 -15.2 -24.6 281 301 A Q H >> S+ 0 0 106 1,-0.2 3,-0.9 2,-0.2 4,-0.8 0.929 106.4 57.3 -60.2 -44.9 -3.7 -14.8 -24.8 282 302 A A H 3< S+ 0 0 0 -4,-2.8 3,-0.4 1,-0.3 -1,-0.2 0.790 99.6 59.3 -60.0 -30.9 -3.2 -11.1 -25.6 283 303 A L H 3< S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.889 104.0 50.9 -61.5 -39.4 -1.1 -12.0 -28.6 284 304 A A H << S+ 0 0 68 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.641 84.3 120.8 -75.9 -16.7 -4.0 -14.0 -30.1 285 305 A H S >< S- 0 0 23 -4,-0.8 3,-2.1 -3,-0.4 7,-0.1 -0.172 77.4-116.2 -50.8 138.4 -6.5 -11.1 -29.7 286 306 A A G > S+ 0 0 58 1,-0.3 3,-2.7 2,-0.2 4,-0.2 0.814 107.6 74.8 -42.9 -40.6 -8.1 -9.8 -32.9 287 307 A Y G 3 S+ 0 0 4 1,-0.3 3,-0.3 -27,-0.2 -1,-0.3 0.697 97.6 44.5 -52.8 -29.3 -6.3 -6.5 -32.5 288 308 A F G <> S+ 0 0 0 -3,-2.1 4,-3.4 -6,-0.2 -1,-0.3 0.139 70.8 122.5-104.4 18.8 -3.0 -7.8 -33.5 289 309 A A T <4 S+ 0 0 79 -3,-2.7 -1,-0.2 1,-0.2 -2,-0.1 0.866 73.9 58.3 -45.9 -42.6 -4.2 -9.9 -36.5 290 310 A Q T 4 S+ 0 0 109 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.955 122.5 18.2 -48.9 -62.1 -1.7 -7.8 -38.6 291 311 A Y T 4 S+ 0 0 80 -3,-0.2 2,-0.5 2,-0.0 -2,-0.2 0.702 91.3 116.2 -92.2 -22.9 1.4 -8.7 -36.8 292 312 A H < + 0 0 50 -4,-3.4 3,-0.1 -7,-0.1 5,-0.1 -0.327 33.7 176.1 -61.5 105.1 0.5 -11.9 -34.9 293 313 A D > - 0 0 73 -2,-0.5 3,-2.2 3,-0.1 -1,-0.1 -0.899 10.9-169.7-105.9 98.3 2.5 -14.8 -36.1 294 314 A P T 3 S+ 0 0 88 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.682 86.7 58.4 -62.7 -17.4 1.5 -17.7 -33.9 295 315 A D T 3 S+ 0 0 156 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.400 107.9 46.1 -90.8 1.6 4.4 -19.7 -35.3 296 316 A D S < S+ 0 0 65 -3,-2.2 -1,-0.2 1,-0.1 -3,-0.1 -0.234 78.5 97.4-137.6 47.8 7.0 -17.1 -34.2 297 317 A E - 0 0 13 -3,-0.5 -1,-0.1 -5,-0.1 -14,-0.0 -0.535 62.6-170.3-128.4 67.8 6.2 -16.3 -30.6 298 318 A P - 0 0 58 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.136 14.1-134.6 -64.8 168.1 8.7 -18.6 -28.9 299 319 A V - 0 0 85 1,-0.1 -166,-0.1 -163,-0.1 -165,-0.1 -0.839 16.5-125.0-115.6 160.7 9.0 -19.4 -25.3 300 320 A A - 0 0 15 -167,-0.5 -1,-0.1 -2,-0.3 -229,-0.1 -0.137 31.3 -96.2 -82.5-174.5 12.1 -19.6 -23.1 301 321 A D - 0 0 114 -231,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.609 56.8 -83.7 -87.8 164.9 13.4 -22.5 -21.0 302 322 A P - 0 0 112 0, 0.0 2,-0.4 0, 0.0 -165,-0.1 -0.560 48.2-138.3 -70.2 140.3 12.5 -22.4 -17.4 303 323 A Y - 0 0 12 -166,-1.8 2,-1.2 -2,-0.2 -236,-0.0 -0.877 8.5-125.9-107.4 133.5 14.9 -20.2 -15.4 304 324 A D > + 0 0 61 -2,-0.4 4,-0.6 1,-0.2 3,-0.1 -0.598 33.9 166.5 -81.2 93.1 16.3 -21.2 -12.0 305 325 A Q T 4 S+ 0 0 51 -2,-1.2 4,-0.2 1,-0.2 -1,-0.2 0.446 72.7 66.2 -84.1 -1.4 15.5 -18.2 -9.6 306 326 A S T >4 S+ 0 0 76 2,-0.2 3,-1.0 1,-0.1 -1,-0.2 0.853 93.3 55.8 -86.1 -40.5 16.4 -20.4 -6.6 307 327 A L T 34 S+ 0 0 65 1,-0.2 3,-0.3 -3,-0.1 -2,-0.2 0.824 108.3 51.2 -57.5 -33.5 20.1 -20.8 -7.4 308 328 A E T 3< S+ 0 0 15 -4,-0.6 2,-0.5 1,-0.2 -1,-0.2 0.617 98.3 67.1 -82.1 -14.8 20.4 -17.0 -7.5 309 329 A S S < S+ 0 0 76 -3,-1.0 -1,-0.2 -4,-0.2 2,-0.2 -0.408 78.6 120.1-107.6 56.5 18.8 -16.5 -4.0 310 330 A R - 0 0 83 -2,-0.5 2,-0.6 -3,-0.3 -3,-0.0 -0.541 65.7-115.5-116.2 174.7 21.3 -18.0 -1.7 311 331 A D + 0 0 156 -2,-0.2 2,-0.3 0, 0.0 -2,-0.1 -0.828 53.9 144.4-114.2 91.0 23.6 -17.2 1.3 312 332 A L - 0 0 26 -2,-0.6 -253,-0.1 -257,-0.1 5,-0.1 -0.812 49.2 -94.0-124.0 162.0 27.2 -17.7 0.1 313 333 A L > - 0 0 98 -2,-0.3 4,-1.7 1,-0.1 5,-0.2 -0.286 37.0-104.1 -74.9 160.6 30.4 -15.9 0.8 314 334 A I H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 3,-0.5 0.911 125.8 46.3 -41.1 -53.7 31.9 -13.0 -1.2 315 335 A D H > S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.861 106.8 59.0 -62.8 -37.1 34.4 -15.4 -2.6 316 336 A E H > S+ 0 0 103 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.777 109.5 42.0 -70.2 -28.0 31.7 -18.0 -3.3 317 337 A W H X S+ 0 0 0 -4,-1.7 4,-3.7 -3,-0.5 5,-0.3 0.889 109.5 59.2 -78.4 -42.4 29.8 -15.7 -5.6 318 338 A K H X S+ 0 0 41 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.849 110.0 43.6 -51.9 -40.3 33.0 -14.4 -7.2 319 339 A S H X S+ 0 0 45 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.926 114.6 48.0 -72.0 -48.0 33.8 -18.0 -8.3 320 340 A L H X S+ 0 0 54 -4,-1.4 4,-1.1 1,-0.2 -2,-0.2 0.908 115.4 46.1 -59.1 -43.6 30.2 -18.7 -9.5 321 341 A T H X S+ 0 0 0 -4,-3.7 4,-1.4 2,-0.2 3,-0.2 0.895 109.7 54.3 -65.7 -44.1 30.2 -15.4 -11.4 322 342 A Y H >X S+ 0 0 25 -4,-2.0 4,-2.0 -5,-0.3 3,-0.6 0.960 103.4 55.1 -55.1 -56.0 33.6 -16.0 -12.9 323 343 A D H 3X S+ 0 0 90 -4,-2.3 4,-2.3 1,-0.3 -1,-0.2 0.827 103.2 58.3 -46.6 -39.0 32.6 -19.4 -14.3 324 344 A E H 3X S+ 0 0 27 -4,-1.1 4,-1.5 -3,-0.2 -1,-0.3 0.945 105.0 48.4 -56.9 -50.7 29.7 -17.7 -16.1 325 345 A V H << S+ 0 0 14 -4,-1.4 3,-0.4 -3,-0.6 -2,-0.2 0.907 112.5 48.6 -59.0 -45.0 32.1 -15.4 -18.0 326 346 A I H < S+ 0 0 111 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.905 113.2 49.1 -58.2 -40.8 34.3 -18.3 -19.0 327 347 A S H < S+ 0 0 60 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.695 83.6 115.1 -78.2 -20.7 31.2 -20.2 -20.2 328 348 A F < - 0 0 25 -4,-1.5 -246,-0.1 -3,-0.4 -3,-0.0 -0.232 42.8-169.8 -59.9 131.8 29.5 -17.5 -22.3 329 349 A V - 0 0 110 -260,-0.1 -248,-0.0 -248,-0.0 -2,-0.0 -0.996 23.7-124.3-122.4 124.0 29.2 -18.1 -26.0 330 350 A P - 0 0 61 0, 0.0 -250,-0.1 0, 0.0 -249,-0.1 -0.044 28.8 -98.6 -63.6 165.4 28.2 -15.0 -28.1 331 351 A P - 0 0 50 0, 0.0 2,-0.2 0, 0.0 -259,-0.0 -0.209 38.5-106.5 -74.0 173.6 25.1 -15.0 -30.4 332 352 A P 0 0 122 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.534 360.0 360.0 -90.8 167.2 25.3 -15.6 -34.2 333 353 A L 0 0 153 -2,-0.2 -294,-0.0 0, 0.0 0, 0.0 -0.839 360.0 360.0-168.1 360.0 24.9 -12.9 -37.0