==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-MAR-03 1OUY . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.E.FITZGERALD,S.B.PATEL,J.W.BECKER,P.M.CAMERON,D.ZALLER, . 350 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17482.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 63.7 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 12.0 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 . 25 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 28.9 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 2 1 1 2 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 1 2 0 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 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 4 A E 0 0 232 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 51.5 18.6 42.3 23.5 2 5 A R - 0 0 87 1,-0.1 89,-0.0 89,-0.0 0, 0.0 -0.162 360.0-101.0 -66.9 162.7 21.9 40.4 22.9 3 6 A P - 0 0 70 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.210 39.4 -97.0 -67.3-164.2 25.1 42.0 21.6 4 7 A T - 0 0 82 2,-0.0 15,-2.0 13,-0.0 2,-0.2 -0.991 37.9-150.2-124.2 122.1 26.3 41.7 18.0 5 8 A F E -A 18 0A 27 -2,-0.5 2,-0.4 13,-0.2 11,-0.1 -0.602 7.8-162.6 -95.0 153.5 28.9 39.0 17.3 6 9 A Y E -A 17 0A 61 11,-2.0 11,-1.5 -2,-0.2 2,-0.2 -0.996 17.0-129.5-133.5 139.9 31.6 38.9 14.6 7 10 A R E +A 16 0A 153 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.591 28.6 166.0 -91.4 152.1 33.5 35.9 13.4 8 11 A Q E -A 15 0A 68 7,-1.5 7,-1.6 -2,-0.2 2,-1.2 -0.900 36.4-126.6-164.6 131.0 37.3 35.5 13.2 9 12 A E E +A 14 0A 149 -2,-0.3 5,-0.2 5,-0.3 3,-0.1 -0.679 41.2 160.2 -84.7 95.4 39.6 32.5 12.7 10 13 A L - 0 0 25 -2,-1.2 2,-0.5 3,-0.9 -1,-0.2 0.957 65.2 -8.2 -77.7 -82.2 42.1 32.9 15.6 11 14 A N S S- 0 0 75 2,-0.2 -1,-0.2 17,-0.1 2,-0.2 -0.881 120.3 -47.2-129.5 103.6 43.8 29.6 16.2 12 15 A K S S+ 0 0 111 -2,-0.5 2,-0.3 -3,-0.1 -3,-0.0 0.206 127.0 66.1 64.2 -17.5 42.6 26.5 14.4 13 16 A T S S- 0 0 36 -2,-0.2 -3,-0.9 -5,-0.1 2,-0.8 -0.847 87.2-111.0-129.6 166.1 39.0 27.5 15.4 14 17 A I E -A 9 0A 57 -2,-0.3 -5,-0.3 -5,-0.2 2,-0.2 -0.806 28.6-153.3-103.8 97.5 36.6 30.3 14.6 15 18 A W E -A 8 0A 3 -7,-1.6 -7,-1.5 -2,-0.8 2,-0.5 -0.489 8.2-168.8 -69.5 129.6 36.1 32.6 17.5 16 19 A E E +A 7 0A 55 -2,-0.2 -9,-0.2 -9,-0.2 -11,-0.1 -0.934 21.6 160.9-122.0 104.3 32.7 34.4 17.5 17 20 A V E -A 6 0A 3 -11,-1.5 -11,-2.0 -2,-0.5 -2,-0.0 -0.829 43.3 -87.8-125.7 161.1 32.6 37.1 20.1 18 21 A P E > -A 5 0A 2 0, 0.0 3,-1.8 0, 0.0 -13,-0.2 -0.295 43.1-111.1 -62.9 152.8 30.6 40.3 20.9 19 22 A E T 3 S+ 0 0 113 -15,-2.0 22,-0.2 1,-0.3 -14,-0.1 0.813 109.8 76.0 -54.5 -36.5 31.8 43.6 19.3 20 23 A R T 3 S+ 0 0 55 -16,-0.1 21,-2.4 20,-0.1 2,-0.7 0.760 85.0 74.9 -49.1 -27.5 32.9 45.0 22.6 21 24 A Y E < +B 40 0B 3 -3,-1.8 2,-0.2 19,-0.2 19,-0.2 -0.808 66.2 166.5 -95.8 115.8 35.9 42.7 22.4 22 25 A Q E +B 39 0B 75 17,-2.1 17,-2.0 -2,-0.7 -2,-0.0 -0.680 46.1 31.1-120.2 174.4 38.6 43.8 20.0 23 26 A N E - 0 0 116 -2,-0.2 2,-0.3 15,-0.2 -1,-0.2 0.843 69.9-173.2 45.5 49.2 42.2 43.0 19.1 24 27 A L E - 0 0 12 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.548 3.8-177.8 -73.4 130.0 42.1 39.4 20.1 25 28 A S E -B 37 0B 56 12,-1.8 12,-2.3 -2,-0.3 -15,-0.1 -0.984 31.0 -99.6-131.1 141.1 45.5 37.6 20.0 26 29 A P E +B 36 0B 63 0, 0.0 10,-0.2 0, 0.0 3,-0.1 -0.163 36.7 168.6 -55.1 148.5 46.4 34.0 20.7 27 30 A V E - 0 0 94 8,-1.8 2,-0.2 1,-0.2 9,-0.2 0.427 62.7 -40.6-134.9 -21.0 47.8 33.1 24.1 28 31 A G E -B 35 0B 29 7,-1.1 7,-2.3 2,-0.0 2,-0.2 -0.626 46.7-143.3 156.2 145.1 47.6 29.3 24.0 29 32 A S E +B 34 0B 65 5,-0.2 2,-0.3 -2,-0.2 5,-0.2 -0.726 26.5 140.1-122.1 171.9 45.6 26.2 23.1 30 33 A G E > -B 33 0B 33 3,-2.2 3,-1.0 -2,-0.2 23,-0.1 -0.974 65.4 -63.8 172.1 178.8 44.9 22.8 24.5 31 34 A A T 3 S+ 0 0 102 -2,-0.3 22,-0.2 1,-0.3 3,-0.1 0.796 127.3 59.3 -56.5 -29.9 42.4 20.0 25.2 32 35 A Y T 3 S- 0 0 90 1,-0.2 21,-1.5 20,-0.1 2,-0.3 0.842 121.1-101.4 -66.9 -36.1 40.6 22.4 27.4 33 36 A G E < -BC 30 52B 2 -3,-1.0 -3,-2.2 19,-0.3 2,-0.3 -0.946 49.0 -49.5 155.2-130.0 40.0 24.8 24.5 34 37 A S E -BC 29 51B 13 17,-1.5 17,-2.8 -2,-0.3 2,-0.4 -0.991 38.1-151.4-145.7 146.8 41.7 28.0 23.4 35 38 A V E -BC 28 50B 32 -7,-2.3 -8,-1.8 -2,-0.3 -7,-1.1 -0.981 12.9-178.2-127.8 136.5 42.6 31.2 25.2 36 39 A C E -BC 26 49B 2 13,-3.2 13,-3.1 -2,-0.4 2,-0.3 -0.897 20.4-135.5-127.2 156.2 42.9 34.7 23.7 37 40 A A E +BC 25 48B 8 -12,-2.3 -12,-1.8 -2,-0.3 2,-0.3 -0.801 36.1 159.8-106.4 153.1 43.8 38.1 25.1 38 41 A A E - C 0 47B 0 9,-2.4 9,-3.1 -2,-0.3 2,-0.5 -0.969 40.7-107.2-162.6 174.8 41.7 41.1 24.2 39 42 A F E -BC 22 46B 67 -17,-2.0 -17,-2.1 -2,-0.3 2,-1.1 -0.975 24.3-145.5-116.7 124.2 40.6 44.7 25.1 40 43 A D E >>> -BC 21 45B 4 5,-3.3 4,-3.2 -2,-0.5 3,-1.5 -0.774 10.6-167.9 -92.9 96.5 37.1 45.1 26.4 41 44 A T T 345S+ 0 0 78 -21,-2.4 -1,-0.2 -2,-1.1 -20,-0.1 0.746 83.0 61.4 -55.7 -27.3 36.0 48.5 25.0 42 45 A K T 345S+ 0 0 156 -22,-0.3 -1,-0.3 1,-0.2 -21,-0.1 0.782 123.1 17.5 -73.1 -26.8 33.0 48.6 27.3 43 46 A T T <45S- 0 0 67 -3,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.559 96.0-123.4-119.4 -15.1 35.1 48.5 30.5 44 47 A G T <5 + 0 0 44 -4,-3.2 2,-0.2 1,-0.3 -3,-0.2 0.555 66.3 137.2 81.2 7.1 38.6 49.5 29.3 45 48 A L E < -C 40 0B 63 -5,-0.7 -5,-3.3 -6,-0.0 2,-0.5 -0.568 57.7-128.5 -89.9 152.5 40.0 46.3 30.7 46 49 A R E -C 39 0B 112 -7,-0.2 59,-1.5 -2,-0.2 2,-0.3 -0.833 42.7-175.0 -91.9 130.9 42.5 44.0 29.2 47 50 A V E -CD 38 104B 0 -9,-3.1 -9,-2.4 -2,-0.5 2,-0.5 -0.837 30.1-132.9-131.8 170.1 41.0 40.5 29.4 48 51 A A E -CD 37 103B 20 55,-2.8 55,-2.3 -2,-0.3 2,-0.4 -0.991 23.0-163.3-122.0 126.4 41.6 36.9 28.7 49 52 A V E -CD 36 102B 0 -13,-3.1 -13,-3.2 -2,-0.5 2,-0.5 -0.940 0.7-162.2-114.4 133.7 38.9 34.9 26.9 50 53 A K E -CD 35 101B 31 51,-2.7 51,-2.8 -2,-0.4 2,-0.7 -0.966 4.3-158.7-119.8 126.0 38.7 31.1 26.9 51 54 A K E -CD 34 100B 17 -17,-2.8 -17,-1.5 -2,-0.5 49,-0.2 -0.910 21.8-132.2-103.8 114.6 36.7 29.2 24.3 52 55 A L E -C 33 0B 5 47,-2.4 2,-0.6 -2,-0.7 47,-0.5 -0.450 17.4-135.6 -66.9 133.9 35.8 25.7 25.6 53 56 A S S S- 0 0 46 -21,-1.5 -1,-0.1 1,-0.3 45,-0.1 -0.830 76.4 -16.8 -96.7 121.0 36.5 23.0 23.0 54 57 A R S > S+ 0 0 139 -2,-0.6 3,-0.8 43,-0.1 -1,-0.3 0.972 74.2 178.0 51.1 65.6 33.8 20.3 22.5 55 58 A P T 3 S+ 0 0 2 0, 0.0 10,-0.4 0, 0.0 11,-0.1 0.706 75.6 33.0 -71.7 -19.7 32.1 21.1 25.8 56 59 A F T 3 S+ 0 0 16 41,-0.2 -2,-0.1 1,-0.1 279,-0.1 -0.137 76.9 115.7-130.4 39.9 29.3 18.5 25.4 57 60 A Q S < S+ 0 0 81 -3,-0.8 2,-0.3 1,-0.1 -1,-0.1 0.688 86.9 10.7 -81.0 -19.6 31.0 15.6 23.5 58 61 A S S > S- 0 0 33 -4,-0.2 4,-3.2 -3,-0.1 5,-0.3 -0.956 78.3-106.6-151.1 166.1 30.5 13.2 26.4 59 62 A I H > S+ 0 0 83 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.915 123.2 51.2 -62.0 -42.0 28.7 13.0 29.7 60 63 A I H > S+ 0 0 138 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.854 114.5 44.2 -63.0 -35.9 32.0 13.4 31.5 61 64 A H H > S+ 0 0 67 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.914 110.1 51.5 -75.5 -47.4 32.6 16.5 29.4 62 65 A A H X S+ 0 0 0 -4,-3.2 4,-1.1 1,-0.2 -2,-0.2 0.842 113.5 48.5 -60.4 -30.4 29.2 18.1 29.6 63 66 A K H X S+ 0 0 38 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.897 108.2 51.6 -76.6 -40.7 29.5 17.7 33.4 64 67 A R H X S+ 0 0 21 -4,-1.5 4,-3.0 1,-0.2 -2,-0.2 0.895 109.3 51.4 -59.5 -43.8 33.0 19.2 33.6 65 68 A T H X S+ 0 0 2 -4,-2.3 4,-2.0 -10,-0.4 -1,-0.2 0.850 109.9 49.2 -63.1 -37.0 31.9 22.3 31.7 66 69 A Y H X S+ 0 0 9 -4,-1.1 4,-2.4 -5,-0.2 -2,-0.2 0.907 111.3 50.4 -69.2 -41.8 28.9 22.7 34.1 67 70 A R H X S+ 0 0 53 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.951 110.5 48.3 -60.3 -51.7 31.3 22.4 37.1 68 71 A E H X S+ 0 0 9 -4,-3.0 4,-2.6 99,-0.4 5,-0.3 0.924 112.8 47.6 -57.8 -46.3 33.7 25.0 35.7 69 72 A L H X S+ 0 0 3 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.911 112.3 50.2 -62.7 -40.8 31.0 27.5 35.0 70 73 A R H X S+ 0 0 41 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.941 112.6 46.9 -63.0 -45.7 29.5 26.9 38.4 71 74 A L H X S+ 0 0 14 -4,-2.9 4,-1.8 1,-0.2 3,-0.2 0.942 113.8 45.7 -60.6 -51.8 32.8 27.5 40.1 72 75 A L H < S+ 0 0 11 -4,-2.6 11,-0.5 1,-0.2 -1,-0.2 0.856 111.3 52.6 -62.6 -38.1 33.8 30.6 38.2 73 76 A K H < S+ 0 0 39 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.824 109.4 51.8 -67.6 -28.7 30.3 32.2 38.7 74 77 A H H < S+ 0 0 35 -4,-1.5 2,-0.2 -3,-0.2 244,-0.2 0.884 85.5 97.8 -75.4 -37.6 30.6 31.6 42.4 75 78 A M < + 0 0 3 -4,-1.8 8,-0.6 6,-0.1 2,-0.1 -0.355 35.0 157.4 -62.9 119.0 34.0 33.2 42.9 76 79 A K + 0 0 158 -2,-0.2 2,-0.3 6,-0.1 -1,-0.1 -0.601 35.2 107.0-140.2 69.2 33.8 36.8 44.2 77 80 A H > - 0 0 16 3,-0.5 3,-1.0 -2,-0.1 57,-0.1 -0.976 69.8-123.1-146.9 152.9 37.1 37.5 45.9 78 81 A E T 3 S+ 0 0 119 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 0.795 111.0 47.8 -69.2 -30.5 40.1 39.7 45.0 79 82 A N T 3 S+ 0 0 6 83,-0.1 84,-2.7 2,-0.1 2,-0.4 0.137 104.3 72.5 -98.7 19.4 42.6 36.9 45.1 80 83 A V B < S-f 163 0C 0 -3,-1.0 -3,-0.5 82,-0.3 84,-0.2 -0.999 96.3 -98.3-135.8 132.0 40.5 34.5 43.1 81 84 A I - 0 0 23 82,-2.6 2,-0.2 -2,-0.4 -6,-0.1 -0.227 44.5-154.9 -48.1 117.1 39.9 34.7 39.4 82 85 A G - 0 0 15 -4,-0.1 2,-0.7 -6,-0.1 22,-0.4 -0.604 16.1-116.6 -95.4 160.5 36.5 36.4 39.0 83 86 A L + 0 0 13 -8,-0.6 20,-0.2 -11,-0.5 3,-0.1 -0.865 28.9 178.1-100.5 111.5 34.2 35.9 36.0 84 87 A L - 0 0 31 18,-2.1 2,-0.3 -2,-0.7 19,-0.2 0.776 68.6 -14.2 -81.9 -27.4 33.7 39.3 34.1 85 88 A D E -E 102 0B 19 17,-1.5 17,-2.9 262,-0.1 2,-0.3 -0.964 50.6-166.0-171.3 154.0 31.6 37.8 31.4 86 89 A V E +E 101 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.955 24.2 162.9-148.3 128.3 30.4 34.5 29.8 87 90 A F E -E 100 0B 15 13,-1.6 13,-2.0 -2,-0.3 256,-0.1 -0.913 25.8-155.6-145.1 170.4 28.6 34.3 26.5 88 91 A T - 0 0 14 -2,-0.3 11,-0.1 2,-0.2 8,-0.1 -0.980 21.7-140.2-147.5 132.7 27.4 32.1 23.6 89 92 A P S S+ 0 0 18 0, 0.0 -84,-0.1 0, 0.0 7,-0.1 0.753 74.1 112.2 -64.8 -19.0 26.6 33.2 20.0 90 93 A A - 0 0 14 8,-0.2 -2,-0.2 1,-0.1 3,-0.1 -0.165 56.0-159.7 -54.6 144.6 23.8 30.6 20.2 91 94 A R S S+ 0 0 161 1,-0.2 2,-0.3 -89,-0.0 -1,-0.1 0.547 73.0 15.8-103.9 -12.0 20.3 32.1 20.2 92 95 A S S >> S- 0 0 31 1,-0.1 4,-2.3 0, 0.0 3,-0.9 -0.981 83.7 -99.7-156.0 160.8 18.5 29.1 21.7 93 96 A L T 34 S+ 0 0 55 -2,-0.3 246,-0.1 1,-0.2 -1,-0.1 0.804 119.0 62.3 -53.4 -31.4 19.3 25.9 23.6 94 97 A E T 34 S+ 0 0 156 1,-0.2 -1,-0.2 3,-0.0 -4,-0.0 0.886 110.7 35.7 -63.0 -41.8 19.0 24.0 20.3 95 98 A E T <4 S+ 0 0 101 -3,-0.9 -2,-0.2 -6,-0.0 -1,-0.2 0.797 89.6 121.3 -80.9 -33.0 21.9 25.9 18.7 96 99 A F < + 0 0 1 -4,-2.3 3,-0.1 1,-0.2 243,-0.1 0.007 19.2 122.9 -37.2 122.7 23.9 26.1 21.9 97 100 A N + 0 0 74 1,-0.3 2,-0.4 -42,-0.0 -41,-0.2 0.350 54.5 69.8-160.4 -12.5 27.2 24.4 21.5 98 101 A D - 0 0 43 -44,-0.1 2,-0.4 -43,-0.1 -1,-0.3 -0.924 52.1-168.1-122.0 145.6 29.9 26.9 22.3 99 102 A V - 0 0 1 -47,-0.5 -47,-2.4 -2,-0.4 2,-0.4 -0.993 2.1-169.4-134.8 126.3 30.9 28.5 25.6 100 103 A Y E -DE 51 87B 1 -13,-2.0 -13,-1.6 -2,-0.4 2,-0.4 -0.961 5.4-160.4-118.1 132.9 33.2 31.5 26.1 101 104 A L E -DE 50 86B 11 -51,-2.8 -51,-2.7 -2,-0.4 2,-0.4 -0.919 3.8-162.4-115.4 137.0 34.6 32.7 29.4 102 105 A V E +DE 49 85B 1 -17,-2.9 -18,-2.1 -2,-0.4 -17,-1.5 -0.967 19.2 150.7-123.6 130.4 36.0 36.1 30.2 103 106 A T E -D 48 0B 20 -55,-2.3 -55,-2.8 -2,-0.4 -20,-0.1 -0.908 48.8 -66.0-144.9 172.7 38.2 37.2 33.1 104 107 A H E -D 47 0B 60 -22,-0.4 2,-0.7 -2,-0.3 -57,-0.2 -0.152 41.8-127.3 -59.5 154.5 40.9 39.8 33.9 105 108 A L + 0 0 62 -59,-1.5 -59,-0.2 1,-0.2 -1,-0.1 -0.939 28.0 176.5-105.3 116.2 44.3 39.7 32.2 106 109 A M - 0 0 34 -2,-0.7 51,-0.3 50,-0.1 -1,-0.2 0.857 30.9-139.0 -86.2 -41.6 47.0 39.7 34.8 107 110 A G + 0 0 68 49,-0.1 2,-0.3 50,-0.0 49,-0.1 -0.190 67.3 36.4 113.1 -42.3 49.9 39.3 32.5 108 111 A A E -G 155 0C 32 47,-1.2 47,-3.7 4,-0.0 2,-0.1 -1.000 63.8-135.8-148.8 146.9 52.2 36.9 34.2 109 112 A D E > -G 154 0C 45 -2,-0.3 4,-1.0 45,-0.3 3,-0.3 -0.220 42.7 -94.4 -87.9-175.3 52.1 33.8 36.4 110 113 A L H > S+ 0 0 0 40,-2.3 4,-1.6 43,-1.2 41,-0.2 0.639 117.6 67.7 -77.1 -14.3 54.2 33.1 39.5 111 114 A N H 4 S+ 0 0 38 39,-0.4 4,-0.3 42,-0.2 -1,-0.2 0.882 96.8 54.1 -70.8 -39.2 56.8 31.2 37.6 112 115 A N H >> S+ 0 0 81 -3,-0.3 4,-2.3 2,-0.2 3,-1.9 0.975 108.0 48.9 -57.5 -57.5 57.9 34.3 35.7 113 116 A I H 3X S+ 0 0 21 -4,-1.0 4,-0.9 1,-0.3 -2,-0.2 0.940 107.0 52.5 -46.9 -64.7 58.5 36.3 38.9 114 117 A V H 3< S+ 0 0 30 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.502 116.8 43.5 -54.6 -3.6 60.6 33.7 40.7 115 118 A K H <4 S+ 0 0 146 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.800 119.5 32.0-109.3 -47.9 62.8 33.5 37.6 116 119 A C H < S+ 0 0 96 -4,-2.3 2,-0.2 -5,-0.1 -2,-0.2 0.104 117.3 51.2-100.6 21.9 63.5 37.1 36.4 117 120 A Q S < S- 0 0 135 -4,-0.9 2,-0.4 -5,-0.2 -4,-0.0 -0.829 74.1-116.2-144.5-177.8 63.4 38.8 39.8 118 121 A K - 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0 0 37 -2,-0.3 -9,-0.1 1,-0.1 -33,-0.0 -0.441 30.3-146.2 -65.3 137.6 61.9 23.6 43.8 219 222 A L S S+ 0 0 33 -11,-0.3 -1,-0.1 1,-0.2 -34,-0.1 0.973 89.3 14.7 -71.6 -53.7 61.3 22.0 47.2 220 223 A F S S+ 0 0 4 -36,-0.3 2,-2.3 2,-0.1 -1,-0.2 -0.593 70.4 170.0-121.7 68.6 60.6 18.4 46.1 221 224 A P - 0 0 37 0, 0.0 -40,-0.1 0, 0.0 -3,-0.0 -0.391 19.9-178.0 -78.9 67.5 61.7 18.1 42.5 222 225 A G - 0 0 0 -2,-2.3 -42,-0.2 1,-0.1 -39,-0.1 -0.312 33.7-139.5 -69.1 150.3 61.3 14.4 42.2 223 226 A T S S- 0 0 73 1,-0.2 2,-0.3 -44,-0.1 -44,-0.1 0.497 85.3 -15.7 -84.9 -3.6 62.1 12.5 39.0 224 227 A D S > S- 0 0 60 -47,-0.1 4,-2.7 1,-0.1 5,-0.3 -0.939 89.9 -71.0 178.7 171.9 59.0 10.3 39.6 225 228 A H H > S+ 0 0 55 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.880 126.5 42.3 -46.1 -53.4 56.5 9.4 42.2 226 229 A I H > S+ 0 0 59 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.945 114.7 48.2 -64.0 -51.2 58.8 7.3 44.4 227 230 A D H > S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 113.0 50.8 -57.7 -38.2 61.8 9.6 44.2 228 231 A Q H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.900 107.3 52.3 -67.6 -38.9 59.5 12.5 45.1 229 232 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.872 108.7 52.0 -63.7 -35.5 58.1 10.6 48.1 230 233 A K H X S+ 0 0 111 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.930 106.6 51.5 -66.7 -45.2 61.6 10.0 49.3 231 234 A L H X S+ 0 0 63 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.930 112.3 48.9 -56.5 -44.1 62.6 13.7 49.1 232 235 A I H >X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 3,-1.5 0.986 112.3 44.1 -59.2 -62.3 59.4 14.5 51.1 233 236 A L H 3X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.3 -1,-0.2 0.794 106.3 64.4 -54.1 -30.8 59.9 11.9 53.9 234 237 A R H 3< S+ 0 0 154 -4,-2.2 31,-0.3 -5,-0.2 -1,-0.3 0.856 112.9 33.4 -60.8 -37.2 63.6 13.0 54.1 235 238 A L H << S+ 0 0 10 -3,-1.5 30,-1.8 -4,-1.1 -2,-0.2 0.903 131.4 28.9 -87.1 -48.0 62.5 16.4 55.2 236 239 A V H < S- 0 0 19 -4,-2.5 28,-0.4 28,-0.2 52,-0.2 0.426 109.4-115.5 -97.0 1.9 59.4 15.7 57.3 237 240 A G < - 0 0 4 -4,-2.1 -1,-0.2 26,-0.4 -2,-0.1 0.086 39.5 -61.4 84.6 159.9 60.3 12.2 58.5 238 241 A T S S- 0 0 29 24,-2.2 26,-0.1 1,-0.1 50,-0.1 -0.435 71.1 -79.0 -77.4 154.6 58.6 8.9 57.8 239 242 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.096 43.6-133.1 -52.6 147.9 55.0 8.4 58.9 240 243 A G > - 0 0 45 -3,-0.1 4,-1.7 1,-0.1 3,-0.0 -0.309 33.5 -92.0 -91.9-177.7 54.2 7.6 62.6 241 244 A A H > S+ 0 0 72 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.906 124.3 54.2 -62.5 -43.1 51.8 4.9 63.8 242 245 A E H > S+ 0 0 120 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.869 108.4 48.0 -60.3 -41.4 48.8 7.3 63.9 243 246 A L H >> S+ 0 0 10 1,-0.2 3,-0.8 2,-0.2 4,-0.6 0.882 106.6 57.3 -69.9 -36.9 49.2 8.3 60.2 244 247 A L H >< S+ 0 0 27 -4,-1.7 3,-1.7 1,-0.2 -2,-0.2 0.921 101.7 55.0 -59.9 -44.9 49.6 4.7 59.0 245 248 A K H 3< S+ 0 0 158 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.735 104.1 56.3 -61.0 -22.6 46.3 3.7 60.4 246 249 A K H << S+ 0 0 68 -3,-0.8 2,-1.3 -4,-0.6 -1,-0.3 0.599 81.1 99.6 -86.1 -11.8 44.6 6.5 58.5 247 250 A I << - 0 0 0 -3,-1.7 -52,-0.2 -4,-0.6 6,-0.2 -0.645 53.2-173.0 -81.1 96.4 46.0 5.2 55.2 248 251 A S + 0 0 80 -2,-1.3 2,-0.6 -54,-0.4 -1,-0.2 0.874 62.7 88.2 -54.0 -46.1 43.0 3.3 53.7 249 252 A S > - 0 0 41 -55,-1.8 4,-2.3 1,-0.2 5,-0.2 -0.448 62.0-165.2 -62.0 109.1 45.0 1.9 50.8 250 253 A E H > S+ 0 0 122 -2,-0.6 4,-1.0 1,-0.2 -1,-0.2 0.801 88.2 54.3 -67.2 -26.9 46.5 -1.3 52.2 251 254 A S H > S+ 0 0 90 2,-0.2 4,-2.1 3,-0.1 -1,-0.2 0.964 110.0 43.0 -71.3 -52.6 48.9 -1.3 49.3 252 255 A A H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.946 113.7 51.3 -58.5 -49.9 50.3 2.1 49.8 253 256 A R H X S+ 0 0 60 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.820 108.1 56.0 -57.4 -30.3 50.6 1.6 53.6 254 257 A N H < S+ 0 0 103 -4,-1.0 4,-0.3 -5,-0.2 -1,-0.2 0.946 106.5 46.7 -67.9 -48.6 52.4 -1.6 52.8 255 258 A Y H >< S+ 0 0 76 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.853 109.8 56.3 -61.8 -35.9 55.1 0.1 50.7 256 259 A I H >< S+ 0 0 7 -4,-2.1 3,-2.1 1,-0.2 -1,-0.2 0.911 99.8 55.1 -63.5 -47.7 55.6 2.8 53.3 257 260 A Q T 3< S+ 0 0 128 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.522 99.1 66.5 -67.0 -2.5 56.4 0.5 56.2 258 261 A S T < S+ 0 0 84 -3,-0.9 2,-0.4 -4,-0.3 -1,-0.3 0.531 82.6 91.7 -95.1 -6.9 59.1 -0.9 54.0 259 262 A L S < S- 0 0 37 -3,-2.1 3,-0.1 -4,-0.2 -21,-0.0 -0.732 90.5-103.3 -90.9 134.1 61.1 2.3 54.1 260 263 A T - 0 0 124 -2,-0.4 -2,-0.1 1,-0.1 -1,-0.1 -0.279 47.2-101.3 -53.5 132.6 63.8 2.8 56.7 261 264 A Q - 0 0 177 -4,-0.1 -1,-0.1 -24,-0.1 -4,-0.0 -0.332 43.3-170.3 -60.9 136.0 62.5 5.1 59.4 262 265 A M - 0 0 57 -3,-0.1 -24,-2.2 -23,-0.1 2,-0.2 -0.985 18.1-124.1-130.3 141.5 63.8 8.7 59.1 263 266 A P - 0 0 109 0, 0.0 -26,-0.4 0, 0.0 2,-0.3 -0.526 36.4 -96.3 -84.4 151.3 63.5 11.6 61.6 264 267 A K - 0 0 98 -28,-0.4 -28,-0.2 -2,-0.2 -29,-0.1 -0.482 49.0-125.5 -63.0 124.3 62.0 15.0 60.6 265 268 A M - 0 0 84 -30,-1.8 2,-0.8 -31,-0.3 -1,-0.1 -0.011 24.9 -91.9 -66.2 177.5 64.9 17.2 59.7 266 269 A N >> - 0 0 87 1,-0.2 4,-1.0 2,-0.0 3,-0.9 -0.830 28.9-160.1 -94.9 108.7 65.6 20.7 61.2 267 270 A F H 3> S+ 0 0 1 -2,-0.8 4,-2.8 1,-0.3 3,-0.2 0.808 89.4 63.1 -59.4 -30.3 64.0 23.3 59.0 268 271 A A H 34 S+ 0 0 56 1,-0.2 -1,-0.3 2,-0.2 5,-0.2 0.860 108.0 41.9 -63.8 -35.0 66.3 26.0 60.5 269 272 A N H <4 S+ 0 0 120 -3,-0.9 3,-0.3 1,-0.1 -1,-0.2 0.618 115.4 51.5 -86.2 -12.8 69.3 24.2 59.0 270 273 A V H < S+ 0 0 51 -4,-1.0 2,-0.8 -3,-0.2 -2,-0.2 0.909 114.2 40.1 -85.7 -48.8 67.4 23.5 55.7 271 274 A F S >< S- 0 0 10 -4,-2.8 3,-1.8 -5,-0.1 -1,-0.2 -0.501 85.8-168.5-100.8 62.4 66.3 27.0 55.0 272 275 A I T 3 + 0 0 144 -2,-0.8 -3,-0.1 -3,-0.3 3,-0.1 -0.229 69.0 13.9 -55.4 130.8 69.4 28.9 56.0 273 276 A G T 3 S+ 0 0 84 1,-0.3 -1,-0.2 -5,-0.2 -4,-0.1 0.258 93.1 137.1 88.9 -11.7 69.0 32.7 56.3 274 277 A A < - 0 0 29 -3,-1.8 -1,-0.3 -6,-0.2 -3,-0.0 -0.303 69.4 -87.4 -70.3 150.5 65.2 32.5 56.2 275 278 A N >> - 0 0 43 1,-0.2 3,-2.4 -3,-0.1 4,-2.0 -0.360 36.2-130.3 -56.3 123.2 63.0 34.6 58.5 276 279 A P H 3> S+ 0 0 105 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.797 110.9 55.0 -48.2 -28.2 62.6 32.5 61.7 277 280 A L H 3> S+ 0 0 70 2,-0.2 4,-1.7 1,-0.2 27,-0.3 0.750 104.7 52.2 -76.3 -26.2 58.9 33.2 61.3 278 281 A A H <> S+ 0 0 0 -3,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.925 108.7 50.6 -73.9 -46.1 58.9 31.8 57.8 279 282 A V H X S+ 0 0 16 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.939 110.0 49.5 -56.3 -51.6 60.6 28.7 58.9 280 283 A D H X S+ 0 0 55 -4,-2.0 4,-1.3 1,-0.2 3,-0.3 0.917 111.6 48.3 -55.6 -47.7 58.0 28.1 61.7 281 284 A L H >X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 3,-0.6 0.920 108.2 55.4 -61.5 -41.2 55.1 28.6 59.3 282 285 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.3 -1,-0.2 0.837 105.3 52.6 -60.9 -30.4 56.7 26.2 56.9 283 286 A E H 3< S+ 0 0 63 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.794 108.4 50.9 -74.8 -26.2 56.8 23.6 59.7 284 287 A K H << S+ 0 0 88 -4,-1.3 10,-2.1 -3,-0.6 3,-0.3 0.762 116.7 40.2 -80.3 -26.5 53.1 24.1 60.3 285 288 A M H < S+ 0 0 0 -4,-1.7 2,-2.1 1,-0.2 -2,-0.2 0.920 106.6 60.1 -86.8 -49.6 52.3 23.7 56.6 286 289 A L S < S+ 0 0 4 -4,-2.6 2,-0.5 -5,-0.2 -1,-0.2 -0.335 71.0 140.9 -80.9 60.4 54.6 20.8 55.6 287 290 A V - 0 0 40 -2,-2.1 6,-0.1 -3,-0.3 5,-0.1 -0.903 50.1-142.8-104.3 124.7 53.2 18.3 58.0 288 291 A L S S+ 0 0 16 -2,-0.5 2,-0.7 -52,-0.2 -99,-0.2 0.915 87.6 70.4 -52.3 -48.9 52.9 14.8 56.7 289 292 A D S > S- 0 0 12 1,-0.2 3,-1.4 -3,-0.1 4,-0.2 -0.604 73.8-154.5 -76.2 110.9 49.6 14.1 58.5 290 293 A S G > S+ 0 0 5 -2,-0.7 3,-1.3 1,-0.3 -1,-0.2 0.800 88.9 62.1 -56.4 -33.2 46.9 16.2 56.8 291 294 A D G 3 S+ 0 0 105 1,-0.3 -1,-0.3 -3,-0.0 -2,-0.0 0.808 107.2 45.0 -64.4 -27.1 44.6 16.4 59.9 292 295 A K G < S+ 0 0 130 -3,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.291 88.6 115.2 -98.4 8.2 47.4 18.2 61.8 293 296 A R S < S- 0 0 7 -3,-1.3 -8,-0.2 -4,-0.2 -9,-0.1 -0.502 76.3-100.9 -78.0 146.0 48.2 20.6 59.0 294 297 A I - 0 0 19 -10,-2.1 2,-0.1 -2,-0.2 -1,-0.1 -0.390 35.7-129.2 -67.3 142.7 47.6 24.3 59.5 295 298 A T > - 0 0 48 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.465 20.5-112.6 -86.6 165.6 44.4 25.7 57.9 296 299 A A H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.933 119.4 52.2 -62.7 -45.2 44.4 28.8 55.8 297 300 A A H > S+ 0 0 52 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.919 112.4 45.4 -57.0 -44.3 42.4 30.7 58.4 298 301 A Q H >4 S+ 0 0 111 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.906 110.9 52.9 -67.1 -41.5 44.9 29.7 61.1 299 302 A A H >< S+ 0 0 0 -4,-2.6 3,-2.3 1,-0.2 6,-0.2 0.895 100.7 60.8 -62.2 -41.1 47.9 30.6 58.9 300 303 A L H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.794 103.5 51.6 -57.3 -27.9 46.5 34.1 58.2 301 304 A A T << S+ 0 0 67 -4,-0.8 -1,-0.3 -3,-0.7 2,-0.2 0.306 86.6 118.0 -92.1 11.0 46.7 34.8 61.9 302 305 A H S X S- 0 0 23 -3,-2.3 3,-2.9 1,-0.1 7,-0.2 -0.562 77.3-117.5 -80.8 140.2 50.3 33.6 62.1 303 306 A A G > S+ 0 0 58 1,-0.3 3,-1.9 -2,-0.2 4,-0.3 0.724 108.5 73.7 -47.7 -27.7 53.0 36.2 63.2 304 307 A Y G 3 S+ 0 0 1 1,-0.3 -1,-0.3 -27,-0.3 3,-0.2 0.726 101.3 44.0 -62.1 -19.9 54.7 35.9 59.8 305 308 A F G X> S+ 0 0 0 -3,-2.9 4,-3.9 -6,-0.2 3,-0.8 0.089 74.3 119.7-113.0 23.8 51.8 37.9 58.3 306 309 A A T <4 S+ 0 0 64 -3,-1.9 -1,-0.1 1,-0.2 -2,-0.1 0.923 73.4 55.0 -52.0 -51.6 51.5 40.6 61.0 307 310 A Q T 34 S+ 0 0 140 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.790 123.9 25.1 -53.6 -32.9 52.2 43.4 58.6 308 311 A Y T <4 S+ 0 0 86 -3,-0.8 -2,-0.2 -8,-0.1 -1,-0.2 0.745 89.8 114.8-106.3 -29.0 49.3 42.3 56.3 309 312 A H < + 0 0 64 -4,-3.9 -8,-0.1 -7,-0.2 5,-0.0 -0.079 30.3 167.7 -48.2 138.3 46.9 40.4 58.5 310 313 A D > - 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