==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-JUN-12 4FUY . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.N.KANG,J.A.STUCKEY,VERTEX-CRYSTALLOGRAPHERS . 332 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16546.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 59.9 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 . 39 11.7 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 . 1 0.3 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 . 14 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 1 2 0 1 0 1 2 1 1 0 0 0 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 . 1 2 2 0 0 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 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 9 A P 0 0 136 0, 0.0 7,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 129.7 25.4 13.2 35.5 2 10 A E - 0 0 39 5,-0.2 5,-3.1 8,-0.1 2,-0.3 -0.378 360.0-150.0 -66.5 140.2 26.7 13.5 31.9 3 11 A M 0 0 144 3,-0.2 13,-0.1 1,-0.1 -1,-0.0 -0.893 360.0 360.0-120.7 148.6 25.2 16.5 29.9 4 12 A V 0 0 79 -2,-0.3 -1,-0.1 13,-0.0 14,-0.1 0.457 360.0 360.0-136.0 360.0 24.5 17.3 26.2 5 ! 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 6 16 A V 0 0 85 0, 0.0 -3,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 106.7 21.0 15.9 30.9 7 17 A F - 0 0 1 -5,-3.1 2,-1.3 3,-0.0 -5,-0.2 -0.624 360.0-179.6-136.5 66.9 22.0 12.4 29.6 8 18 A D + 0 0 70 -7,-0.2 77,-0.1 1,-0.2 -5,-0.1 -0.635 15.4 158.5 -80.4 96.4 23.1 10.4 32.7 9 19 A V > - 0 0 3 -2,-1.3 4,-1.1 1,-0.4 -1,-0.2 -0.035 52.3-120.3-106.5 28.3 24.1 7.1 31.1 10 20 A G T 4 - 0 0 44 1,-0.2 -1,-0.4 2,-0.2 3,-0.1 -0.049 46.4 -53.9 62.4-161.7 26.3 6.3 34.1 11 21 A P T 4 S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 22,-0.1 0.809 126.0 70.9 -80.9 -26.8 30.1 5.6 34.0 12 22 A R T 4 S+ 0 0 78 -3,-0.1 21,-2.4 1,-0.1 2,-0.6 0.874 99.1 50.1 -55.1 -42.4 29.8 2.8 31.3 13 23 A Y E < S+A 32 0A 2 -4,-1.1 -4,-0.3 19,-0.2 2,-0.2 -0.899 73.4 150.3-110.5 120.2 28.9 5.3 28.5 14 24 A T E +A 31 0A 49 17,-1.7 17,-3.8 -2,-0.6 -2,-0.0 -0.716 39.4 56.2-133.2-179.6 31.0 8.5 28.0 15 25 A N E S- 0 0 119 -2,-0.2 2,-0.2 15,-0.2 -1,-0.1 0.938 73.6-159.0 51.5 59.3 32.2 11.0 25.3 16 26 A L E - 0 0 35 14,-0.1 2,-0.4 -13,-0.1 14,-0.2 -0.424 16.0-175.3 -71.8 135.2 28.6 11.9 24.3 17 27 A S E -A 29 0A 63 12,-2.0 12,-3.1 -2,-0.2 2,-0.1 -0.997 28.3-116.2-135.8 128.9 27.9 13.4 20.8 18 28 A Y E +A 28 0A 122 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.422 32.5 171.9 -65.4 131.3 24.4 14.7 19.6 19 29 A I E - 0 0 79 8,-2.5 2,-0.3 1,-0.4 9,-0.2 0.759 54.7 -75.0-105.7 -49.0 23.0 12.7 16.6 20 30 A G E -A 27 0A 20 7,-1.6 7,-2.3 0, 0.0 2,-0.5 -0.950 54.0 -63.7 174.5-161.0 19.5 14.1 16.3 21 31 A E E -A 26 0A 146 -2,-0.3 5,-0.2 5,-0.2 21,-0.0 -0.959 37.7-162.2-125.8 119.1 16.1 14.0 18.0 22 32 A G - 0 0 29 3,-1.6 5,-0.1 -2,-0.5 21,-0.0 -0.015 41.4 -89.0 -76.1-173.6 13.8 10.9 18.2 23 33 A A S S+ 0 0 78 1,-0.2 3,-0.0 3,-0.1 21,-0.0 0.951 124.2 27.6 -67.7 -52.8 10.1 10.8 18.9 24 34 A Y S S- 0 0 19 23,-0.1 21,-1.8 24,-0.0 2,-0.3 0.385 131.1 -47.7 -94.1 2.7 10.2 10.6 22.8 25 35 A G S S- 0 0 21 19,-0.2 -3,-1.6 2,-0.0 2,-0.3 -0.975 80.0 -19.3 169.1-156.0 13.6 12.3 23.1 26 36 A M E -A 21 0A 50 -2,-0.3 17,-3.3 17,-0.2 2,-0.4 -0.680 39.1-151.0 -92.6 142.1 17.3 12.9 22.2 27 37 A V E +AB 20 42A 32 -7,-2.3 -8,-2.5 -2,-0.3 -7,-1.6 -0.950 22.3 170.5-114.4 130.2 19.6 10.5 20.4 28 38 A C E -AB 18 41A 0 13,-2.4 13,-2.9 -2,-0.4 2,-0.3 -0.908 31.6-125.2-131.1 159.6 23.4 10.6 21.1 29 39 A S E +AB 17 40A 12 -12,-3.1 -12,-2.0 -2,-0.3 2,-0.3 -0.759 35.7 178.4 -98.1 149.6 26.4 8.5 20.2 30 40 A A E - B 0 39A 0 9,-2.1 9,-3.2 -2,-0.3 2,-0.6 -0.979 32.9-107.6-150.1 157.2 28.5 7.4 23.2 31 41 A Y E -AB 14 38A 69 -17,-3.8 -17,-1.7 -2,-0.3 2,-0.6 -0.818 26.8-143.4 -92.0 117.5 31.6 5.3 23.9 32 42 A D E >> -AB 13 37A 0 5,-2.7 4,-0.9 -2,-0.6 5,-0.8 -0.728 8.9-163.4 -79.1 116.8 30.8 1.9 25.5 33 43 A N T 45S+ 0 0 62 -21,-2.4 -1,-0.1 -2,-0.6 -20,-0.1 0.514 86.4 49.8 -82.2 -5.3 33.7 1.3 28.0 34 44 A V T 45S+ 0 0 92 -22,-0.2 -1,-0.1 3,-0.1 -21,-0.0 0.887 121.4 29.5 -93.4 -51.3 32.8 -2.4 28.3 35 45 A N T 45S- 0 0 96 2,-0.2 -2,-0.2 0, 0.0 3,-0.1 0.439 99.1-132.1 -90.9 -2.3 32.7 -3.3 24.5 36 46 A K T <5 + 0 0 134 -4,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.860 69.9 104.6 51.0 48.0 35.2 -0.6 23.5 37 47 A V E > + 0 0 68 2,-0.2 4,-1.3 3,-0.1 3,-0.8 0.930 360.0 49.7 -85.4 -53.9 4.3 6.9 26.1 49 64 A Q H 3> S+ 0 0 121 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.850 108.4 55.1 -54.1 -43.2 2.4 3.9 24.8 50 65 A R H 3> S+ 0 0 88 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.796 103.9 56.4 -60.2 -35.2 4.6 3.7 21.6 51 66 A T H <> S+ 0 0 9 -3,-0.8 4,-2.0 -4,-0.4 -1,-0.2 0.904 110.3 42.3 -64.3 -48.2 7.7 3.5 23.8 52 67 A L H X S+ 0 0 12 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.914 113.5 52.3 -65.9 -46.7 6.5 0.4 25.7 53 68 A R H X S+ 0 0 43 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.907 112.6 45.0 -54.3 -48.3 5.2 -1.3 22.5 54 69 A E H X S+ 0 0 17 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.900 111.9 51.2 -69.2 -41.7 8.6 -0.8 20.7 55 70 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.955 111.6 49.1 -58.6 -50.0 10.6 -2.0 23.8 56 71 A K H X S+ 0 0 62 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.898 115.6 42.7 -55.6 -48.1 8.4 -5.2 24.0 57 72 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.934 114.1 48.8 -65.9 -51.5 8.8 -5.9 20.2 58 73 A L H < S+ 0 0 5 -4,-3.0 11,-0.4 1,-0.2 -1,-0.2 0.820 112.5 49.5 -62.9 -30.9 12.6 -5.2 20.0 59 74 A L H < S+ 0 0 28 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.811 114.4 45.5 -76.8 -30.3 13.3 -7.4 23.1 60 75 A R H < S+ 0 0 115 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.897 101.2 77.6 -77.6 -41.8 11.3 -10.2 21.6 61 76 A F < - 0 0 15 -4,-2.8 2,-0.3 -5,-0.1 62,-0.0 -0.432 52.0-178.9 -74.2 143.9 12.7 -10.1 18.1 62 77 A R + 0 0 224 -2,-0.1 2,-0.3 6,-0.1 5,-0.1 -0.875 27.8 131.3-143.5 102.0 16.1 -11.5 17.2 63 78 A H > - 0 0 18 3,-0.4 3,-1.9 -2,-0.3 56,-0.0 -0.968 59.5-125.2-156.1 140.7 17.1 -11.1 13.6 64 79 A E T 3 S+ 0 0 128 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.759 112.4 46.7 -56.2 -32.9 20.1 -9.9 11.6 65 80 A N T 3 S+ 0 0 6 82,-0.1 83,-3.0 53,-0.1 2,-0.4 0.146 101.6 75.8-101.2 19.2 18.0 -7.3 9.7 66 81 A I B < S-e 148 0B 5 -3,-1.9 -3,-0.4 81,-0.3 83,-0.2 -0.999 87.3-113.3-127.1 130.1 16.1 -5.9 12.7 67 82 A I - 0 0 2 81,-2.5 2,-0.3 -2,-0.4 -6,-0.1 -0.303 34.7-152.1 -60.8 137.7 17.8 -3.5 15.2 68 83 A G - 0 0 31 -4,-0.1 2,-0.6 -6,-0.1 21,-0.3 -0.726 16.5-113.1-108.7 163.7 18.3 -5.0 18.7 69 84 A I - 0 0 22 -11,-0.4 19,-0.2 -2,-0.3 3,-0.1 -0.880 25.1-176.1 -96.6 120.0 18.4 -3.4 22.2 70 85 A N - 0 0 57 17,-2.7 2,-0.3 -2,-0.6 18,-0.2 0.828 68.0 -12.4 -79.9 -39.6 22.0 -3.8 23.7 71 86 A D E -D 87 0A 21 16,-1.2 16,-3.1 2,-0.0 2,-0.4 -0.980 52.2-144.5-160.1 158.7 21.1 -2.2 27.1 72 87 A I E -D 86 0A 1 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.977 16.5-160.7-134.8 121.3 18.4 -0.2 28.9 73 88 A I E +D 85 0A 36 12,-2.9 12,-3.0 -2,-0.4 2,-0.3 -0.865 28.1 133.7-105.8 132.7 19.4 2.4 31.6 74 89 A R - 0 0 18 -2,-0.4 10,-0.1 10,-0.2 7,-0.1 -0.955 58.1 -71.7-165.9 163.2 16.9 3.6 34.2 75 90 A A - 0 0 26 8,-0.4 6,-0.1 -2,-0.3 257,-0.0 -0.235 44.5-118.8 -58.8 148.7 16.6 4.3 38.0 76 91 A P S S+ 0 0 86 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.630 93.9 49.0 -68.9 -12.5 16.5 1.2 40.3 77 92 A T S > S- 0 0 49 1,-0.1 4,-1.3 0, 0.0 3,-0.3 -0.937 78.4-127.2-130.4 152.5 13.0 2.1 41.6 78 93 A I T 4 S+ 0 0 46 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.855 111.9 56.0 -61.1 -37.4 9.6 3.2 40.1 79 94 A E T 4 S+ 0 0 150 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.815 115.2 37.5 -63.2 -37.5 9.6 6.3 42.5 80 95 A Q T 4 S+ 0 0 117 -3,-0.3 2,-0.2 2,-0.0 -1,-0.2 0.566 90.7 109.2 -92.0 -18.2 13.0 7.4 41.2 81 96 A M < + 0 0 4 -4,-1.3 3,-0.1 1,-0.2 244,-0.0 -0.499 25.8 136.4 -68.0 126.4 12.5 6.4 37.5 82 97 A K + 0 0 164 1,-0.5 2,-0.2 -2,-0.2 -1,-0.2 0.364 63.9 34.7-127.3 -74.5 12.1 9.5 35.3 83 98 A D - 0 0 36 -38,-0.1 -1,-0.5 -40,-0.0 -8,-0.4 -0.504 63.1-156.0 -91.5 150.1 14.1 9.0 32.1 84 99 A V E -C 44 0A 7 -40,-2.4 -40,-3.3 -2,-0.2 2,-0.5 -0.989 7.1-156.7-124.5 130.4 14.8 5.7 30.3 85 100 A Y E -CD 43 73A 4 -12,-3.0 -12,-2.9 -2,-0.4 2,-0.5 -0.965 2.5-161.3-113.6 124.0 17.9 5.2 28.0 86 101 A I E -CD 42 72A 13 -44,-2.4 -44,-2.5 -2,-0.5 2,-0.4 -0.917 10.1-153.6-105.7 125.9 17.8 2.6 25.2 87 102 A V E +CD 41 71A 0 -16,-3.1 -17,-2.7 -2,-0.5 -16,-1.2 -0.880 20.4 163.4-105.4 137.2 21.2 1.5 23.9 88 103 A Q E -C 40 0A 32 -48,-3.1 -48,-2.7 -2,-0.4 -19,-0.1 -0.905 46.7 -77.4-138.3 167.9 21.8 0.2 20.3 89 104 A D E -C 39 0A 77 -21,-0.3 2,-0.5 -2,-0.3 -50,-0.2 -0.370 53.3-111.7 -62.8 141.7 24.8 -0.4 18.0 90 105 A L - 0 0 65 -52,-0.9 2,-0.2 -60,-0.1 -1,-0.1 -0.708 35.5-151.0 -78.0 123.5 25.9 2.9 16.4 91 106 A M - 0 0 29 -2,-0.5 50,-0.2 1,-0.1 3,-0.1 -0.521 15.8-130.2 -92.6 163.6 25.1 2.7 12.7 92 107 A E S S- 0 0 91 48,-1.6 2,-0.2 1,-0.2 49,-0.2 0.875 76.2 -41.1 -79.5 -39.9 27.0 4.5 9.9 93 108 A T E -F 140 0B 25 47,-2.2 47,-2.6 -3,-0.0 2,-0.3 -0.863 55.6-108.7-162.9-166.9 23.9 6.0 8.3 94 109 A D E > -F 139 0B 26 45,-0.3 4,-2.2 -2,-0.2 45,-0.2 -0.891 35.7-105.1-136.0 165.8 20.3 5.4 7.2 95 110 A L H > S+ 0 0 0 43,-2.1 4,-2.6 40,-1.1 41,-0.2 0.832 117.9 59.3 -66.7 -28.5 18.8 4.9 3.7 96 111 A Y H > S+ 0 0 112 39,-0.8 4,-1.2 42,-0.2 -1,-0.2 0.958 110.1 41.0 -61.3 -53.3 17.2 8.5 3.9 97 112 A K H > S+ 0 0 95 1,-0.2 4,-0.8 2,-0.2 3,-0.3 0.895 115.3 52.6 -63.8 -38.2 20.7 10.2 4.3 98 113 A L H >X S+ 0 0 18 -4,-2.2 4,-2.8 1,-0.2 3,-1.0 0.923 107.8 49.9 -64.1 -45.8 22.2 7.8 1.7 99 114 A L H 3< S+ 0 0 7 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.741 101.2 65.4 -67.3 -23.6 19.6 8.6 -0.9 100 115 A K H 3< S+ 0 0 135 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.797 125.0 7.6 -66.4 -32.8 20.0 12.4 -0.4 101 116 A T H << S+ 0 0 105 -3,-1.0 2,-0.4 -4,-0.8 -2,-0.2 0.546 114.1 76.1-128.0 -13.5 23.6 12.4 -1.7 102 117 A Q < - 0 0 101 -4,-2.8 2,-0.4 -5,-0.2 -1,-0.1 -0.917 61.2-141.1-118.1 131.1 24.5 8.9 -3.2 103 118 A H - 0 0 146 -2,-0.4 2,-0.4 -3,-0.1 102,-0.1 -0.677 28.7-135.8 -76.8 131.3 23.5 7.2 -6.5 104 119 A L - 0 0 9 100,-0.4 2,-0.1 -2,-0.4 -1,-0.0 -0.817 8.8-134.4 -94.3 132.6 22.9 3.5 -5.8 105 120 A S > - 0 0 47 -2,-0.4 4,-2.4 1,-0.1 3,-0.3 -0.398 30.1-108.2 -71.5 162.0 24.3 0.8 -8.1 106 121 A N H > S+ 0 0 63 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.884 122.6 57.2 -58.1 -35.9 21.8 -2.0 -9.2 107 122 A D H > S+ 0 0 104 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.890 108.2 45.4 -61.9 -41.0 23.9 -4.3 -6.9 108 123 A H H > S+ 0 0 77 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.934 113.1 49.2 -69.1 -45.0 23.3 -2.0 -3.9 109 124 A I H X S+ 0 0 10 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.917 113.1 48.6 -56.6 -47.9 19.5 -1.7 -4.7 110 125 A C H X S+ 0 0 2 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.928 114.7 44.1 -58.4 -47.8 19.2 -5.5 -5.0 111 126 A Y H X S+ 0 0 58 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.884 114.6 48.3 -67.4 -45.8 21.1 -6.1 -1.7 112 127 A F H X S+ 0 0 1 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.921 113.1 48.1 -59.7 -47.4 19.2 -3.5 0.3 113 128 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 5,-0.2 0.913 110.0 52.7 -60.5 -45.1 15.8 -4.8 -1.1 114 129 A Y H X S+ 0 0 14 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.934 111.8 44.9 -55.5 -52.0 16.8 -8.4 -0.2 115 130 A Q H X S+ 0 0 5 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.843 110.8 54.4 -62.3 -38.0 17.6 -7.4 3.5 116 131 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.951 114.1 40.7 -59.1 -50.7 14.4 -5.3 3.8 117 132 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.847 112.2 55.3 -67.9 -35.4 12.3 -8.3 2.7 118 133 A R H X S+ 0 0 13 -4,-2.5 4,-1.3 -5,-0.2 -1,-0.2 0.917 113.3 42.3 -63.1 -43.8 14.3 -10.8 4.8 119 134 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.932 114.2 51.5 -66.4 -45.8 13.7 -8.6 7.9 120 135 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.835 103.1 59.6 -62.0 -34.5 10.0 -8.1 6.9 121 136 A K H X S+ 0 0 12 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.926 109.2 43.5 -59.2 -47.2 9.5 -11.9 6.5 122 137 A Y H X S+ 0 0 22 -4,-1.3 4,-1.1 2,-0.2 186,-0.5 0.932 113.3 51.4 -65.0 -47.3 10.5 -12.4 10.2 123 138 A I H ><>S+ 0 0 0 -4,-2.3 5,-1.8 1,-0.2 3,-0.9 0.946 114.7 42.7 -53.4 -52.4 8.3 -9.4 11.3 124 139 A H H ><5S+ 0 0 6 -4,-2.9 3,-1.8 1,-0.2 -1,-0.2 0.813 106.8 61.4 -66.3 -31.5 5.2 -10.8 9.4 125 140 A S H 3<5S+ 0 0 41 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.756 100.9 54.8 -67.5 -20.6 6.0 -14.4 10.6 126 141 A A T <<5S- 0 0 0 -4,-1.1 186,-3.6 -3,-0.9 -1,-0.3 0.330 122.3-111.9 -91.1 7.0 5.5 -13.0 14.2 127 142 A N T < 5S+ 0 0 58 -3,-1.8 30,-2.8 1,-0.3 2,-0.3 0.718 77.0 133.8 65.0 29.4 2.0 -11.7 13.0 128 143 A V E < -H 156 0C 0 -5,-1.8 2,-0.4 28,-0.3 -1,-0.3 -0.832 46.3-153.4-109.4 146.1 3.4 -8.1 13.4 129 144 A L E -H 155 0C 0 26,-3.0 26,-1.8 -2,-0.3 61,-0.1 -0.962 5.4-157.2-112.4 133.4 3.0 -5.2 10.9 130 145 A H - 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0 0 67 1,-0.0 3,-2.2 -2,-0.0 -1,-0.1 -0.664 28.0-169.1-158.8 90.8 17.7 -18.9 0.3 302 317 A P G > S+ 0 0 63 0, 0.0 3,-1.2 0, 0.0 -1,-0.0 0.769 88.8 60.8 -64.2 -21.7 14.6 -19.7 2.4 303 318 A S G 3 S+ 0 0 111 1,-0.2 0, 0.0 3,-0.1 0, 0.0 0.659 108.8 45.0 -74.2 -15.9 16.6 -21.9 4.8 304 319 A D G < S+ 0 0 84 -3,-2.2 -1,-0.2 1,-0.1 -3,-0.0 0.049 96.4 81.8-114.1 23.0 18.7 -18.7 5.6 305 320 A E S < S- 0 0 3 -3,-1.2 -1,-0.1 -184,-0.0 -186,-0.0 -0.769 77.1-155.4-126.4 78.2 15.6 -16.5 6.0 306 321 A P - 0 0 56 0, 0.0 2,-0.3 0, 0.0 -181,-0.1 -0.113 6.7-150.8 -64.0 154.3 14.4 -17.2 9.5 307 322 A I - 0 0 104 -182,-0.1 -185,-0.1 1,-0.1 2,-0.1 -0.751 33.3 -86.2-115.9 162.0 10.9 -16.9 10.9 308 323 A A - 0 0 15 -186,-0.5 -1,-0.1 -2,-0.3 -247,-0.1 -0.399 27.5-129.3 -73.5 147.6 9.8 -16.1 14.5 309 324 A E S S+ 0 0 204 1,-0.2 -1,-0.1 -2,-0.1 -183,-0.0 0.827 88.5 8.6 -66.1 -34.4 9.4 -18.9 17.0 310 325 A A S S- 0 0 50 -184,-0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.995 87.3 -92.7-145.9 151.1 5.9 -17.8 18.1 311 326 A P - 0 0 91 0, 0.0 2,-0.3 0, 0.0 -184,-0.2 -0.376 48.7-117.2 -63.1 139.3 3.3 -15.2 17.0 312 327 A F - 0 0 1 -186,-3.6 2,-0.3 -2,-0.0 -255,-0.0 -0.613 36.7-177.8 -79.8 140.2 3.8 -11.9 19.0 313 328 A K 0 0 129 -2,-0.3 -185,-0.0 -157,-0.1 -186,-0.0 -0.998 360.0 360.0-145.1 138.1 0.9 -10.8 21.2 314 329 A F 0 0 98 -2,-0.3 -261,-0.0 0, 0.0 -159,-0.0 -0.666 360.0 360.0 -88.1 360.0 0.3 -7.7 23.5 315 ! 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 0.0 316 337 A P >> 0 0 132 0, 0.0 4,-2.1 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 159.8 -3.8 4.9 33.0 317 338 A K H 3> + 0 0 168 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.723 360.0 55.7 -52.3 -33.1 -0.4 6.8 33.2 318 339 A E H 3> S+ 0 0 123 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.889 109.6 44.7 -70.0 -42.9 0.5 5.0 36.5 319 340 A K H <> S+ 0 0 40 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.883 111.6 53.9 -68.4 -39.2 0.1 1.5 34.9 320 341 A L H X S+ 0 0 27 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.925 110.1 46.5 -60.4 -47.4 2.0 2.6 31.8 321 342 A K H X S+ 0 0 80 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.909 113.3 50.0 -59.4 -45.2 5.0 3.7 33.9 322 343 A E H X S+ 0 0 127 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.873 109.2 50.9 -63.2 -41.0 4.8 0.4 35.9 323 344 A L H X S+ 0 0 95 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.879 110.5 48.9 -65.9 -39.0 4.7 -1.7 32.7 324 345 A I H X S+ 0 0 14 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.891 111.4 50.8 -65.7 -41.9 7.9 0.1 31.3 325 346 A F H < S+ 0 0 49 -4,-2.1 3,-0.4 2,-0.2 4,-0.3 0.933 113.3 45.2 -59.1 -47.7 9.6 -0.4 34.6 326 347 A E H >< S+ 0 0 62 -4,-2.3 3,-0.9 1,-0.2 4,-0.2 0.884 111.9 51.0 -66.0 -41.9 8.7 -4.2 34.5 327 348 A E H 3< S+ 0 0 46 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.684 112.6 46.6 -69.9 -22.4 9.8 -4.6 30.8 328 349 A T T >< S+ 0 0 0 -4,-1.2 3,-1.2 -3,-0.4 4,-0.2 0.367 82.2 99.4-102.0 2.9 13.2 -3.0 31.4 329 350 A A G X + 0 0 49 -3,-0.9 3,-1.3 -4,-0.3 -1,-0.1 0.752 67.7 70.4 -62.7 -27.7 14.1 -5.0 34.6 330 351 A R G 3 S+ 0 0 154 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.704 95.7 53.8 -66.5 -20.4 16.4 -7.5 32.8 331 352 A F G < S+ 0 0 49 -3,-1.2 -1,-0.3 4,-0.1 -2,-0.2 0.518 78.0 121.2 -93.4 -4.4 19.1 -4.9 32.2 332 353 A Q S < S- 0 0 43 -3,-1.3 3,-0.1 -4,-0.2 -259,-0.1 -0.296 70.9-125.6 -60.9 136.1 19.4 -3.8 35.9 333 354 A P S S+ 0 0 120 0, 0.0 2,-1.3 0, 0.0 -1,-0.1 0.628 94.7 88.4 -62.5 -11.9 23.0 -4.3 37.2 334 355 A G 0 0 79 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.281 360.0 360.0 -82.8 48.6 21.7 -6.4 40.1 335 356 A Y 0 0 260 -2,-1.3 -4,-0.1 -3,-0.1 -5,-0.0 -0.506 360.0 360.0-159.5 360.0 21.9 -9.7 38.2