==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 21-JAN-13 3W55 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.OHORI,T.KINOSHITA . 335 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17292.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 62.7 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 . 38 11.3 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 . 31 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 25.4 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 1 1 1 0 0 0 1 1 1 0 0 0 2 0 1 0 0 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 2 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 11 A P 0 0 130 0, 0.0 2,-0.7 0, 0.0 9,-0.1 0.000 360.0 360.0 360.0 93.9 18.1 52.4 61.7 2 12 A E E -A 9 0A 59 7,-0.5 2,-0.7 2,-0.0 7,-0.6 -0.841 360.0-161.6 -96.1 112.7 19.9 51.5 58.4 3 13 A M E -A 8 0A 113 -2,-0.7 2,-0.7 5,-0.2 5,-0.3 -0.852 0.8-160.4-101.5 112.2 18.3 53.4 55.5 4 14 A V - 0 0 14 3,-1.0 3,-0.3 -2,-0.7 15,-0.1 -0.807 54.1 -70.8 -93.1 115.7 19.1 52.0 52.1 5 15 A R S S+ 0 0 167 -2,-0.7 15,-0.0 1,-0.2 -2,-0.0 -0.103 129.1 34.9 39.7-111.8 18.5 54.6 49.3 6 16 A G S S- 0 0 67 -3,-0.0 -1,-0.2 2,-0.0 2,-0.1 0.805 123.1 -38.6 -28.4 -99.8 14.7 54.7 49.4 7 17 A Q S S- 0 0 110 -3,-0.3 -3,-1.0 1,-0.2 2,-0.1 -0.163 76.4 -45.2-118.5-151.9 13.7 54.2 53.0 8 18 A V E -A 3 0A 30 -5,-0.3 -1,-0.2 -2,-0.1 -5,-0.2 -0.294 27.3-163.8 -82.3 167.2 14.4 52.5 56.3 9 19 A F E > -A 2 0A 0 -7,-0.6 2,-2.3 -2,-0.1 3,-0.6 -0.595 4.3-165.8-151.4 76.7 15.1 48.8 57.1 10 20 A D T 3 + 0 0 92 1,-0.2 82,-0.1 -9,-0.1 -7,-0.0 -0.455 53.5 112.7 -70.7 82.4 14.7 48.0 60.8 11 21 A V T >> + 0 0 3 -2,-2.3 3,-0.7 4,-0.2 4,-0.6 0.664 48.6 121.0-121.2 -37.5 16.4 44.7 60.6 12 22 A G T <4 + 0 0 32 -3,-0.6 4,-0.1 1,-0.3 22,-0.0 -0.000 40.3 56.0 -49.2 171.3 19.7 45.0 62.6 13 23 A P T 34 S+ 0 0 118 0, 0.0 22,-0.3 0, 0.0 -1,-0.3 -0.993 125.8 34.3 -81.4 -9.1 21.3 44.0 64.8 14 24 A R T <4 S+ 0 0 79 -3,-0.7 21,-2.3 1,-0.2 2,-0.6 0.851 127.2 41.4 -71.9 -32.9 21.1 40.6 63.3 15 25 A Y E < S+B 34 0B 1 -4,-0.6 -1,-0.2 19,-0.2 -4,-0.2 -0.930 77.6 147.5-120.4 109.5 21.1 41.9 59.8 16 26 A T E +B 33 0B 32 17,-2.4 17,-1.3 -2,-0.6 -2,-0.0 -0.419 38.1 58.6-120.3-163.9 23.5 44.8 59.2 17 27 A N E S- 0 0 109 15,-0.2 16,-1.1 -2,-0.2 2,-0.2 0.883 70.9-166.1 39.1 94.0 25.7 46.0 56.3 18 28 A L E +B 32 0B 29 14,-0.2 14,-0.2 1,-0.1 -1,-0.1 -0.711 26.0 155.1-111.1 161.8 23.0 46.7 53.6 19 29 A S - 0 0 54 12,-1.0 2,-0.2 -2,-0.2 -1,-0.1 0.228 41.5-101.4-139.1 -94.5 23.1 47.3 49.9 20 30 A Y + 0 0 47 -15,-0.0 10,-0.3 8,-0.0 3,-0.1 -0.490 32.4 169.3 155.4 135.6 20.4 46.6 47.3 21 31 A I + 0 0 62 8,-2.7 2,-0.3 1,-0.3 9,-0.2 0.451 66.2 23.0-141.2 -9.6 19.7 43.9 44.8 22 32 A G B -C 29 0B 22 7,-1.5 7,-2.7 2,-0.0 -1,-0.3 -0.939 55.8-149.2-166.3 141.5 16.2 44.3 43.6 23 33 A E + 0 0 159 -2,-0.3 2,-0.1 5,-0.2 5,-0.1 -0.241 21.4 152.1 -98.8-172.7 13.4 46.8 43.1 24 34 A G > - 0 0 27 -2,-0.1 3,-2.5 1,-0.0 -2,-0.0 -0.256 49.2-116.9 146.7 125.0 9.6 46.7 43.1 25 35 A A T 3 S+ 0 0 120 1,-0.3 3,-0.1 -2,-0.1 -1,-0.0 0.592 115.8 49.5 -55.4 -12.8 6.7 49.1 43.9 26 36 A Y T 3 S- 0 0 80 1,-0.3 21,-1.2 -3,-0.1 -1,-0.3 0.459 125.6 -9.3-106.5 -2.5 5.6 46.8 46.8 27 37 A G < - 0 0 13 -3,-2.5 2,-0.4 19,-0.2 -1,-0.3 -0.779 57.3-119.2 169.8 145.4 9.0 46.4 48.4 28 38 A M - 0 0 31 -2,-0.2 17,-2.3 -3,-0.1 2,-0.6 -0.772 26.1-147.0 -95.7 135.2 12.8 46.9 48.3 29 39 A V E +CD 22 44B 33 -7,-2.7 -8,-2.7 -2,-0.4 -7,-1.5 -0.903 22.2 175.0-108.0 117.3 15.1 43.9 48.3 30 40 A C E - D 0 43B 0 13,-2.6 13,-4.3 -2,-0.6 2,-0.3 -0.832 27.3-131.6-120.1 158.9 18.4 44.2 50.0 31 41 A S E - D 0 42B 8 -2,-0.3 -12,-1.0 11,-0.3 2,-0.3 -0.775 32.6-179.5-101.6 148.9 21.2 41.8 50.8 32 42 A A E -BD 18 41B 0 9,-2.8 9,-1.5 -2,-0.3 2,-0.3 -0.975 31.4-112.3-156.2 141.4 22.5 42.0 54.4 33 43 A Y E -BD 16 40B 59 -17,-1.3 -17,-2.4 -16,-1.1 2,-0.7 -0.571 28.6-144.3 -75.0 130.2 25.1 40.3 56.5 34 44 A D E >> -BD 15 39B 2 5,-1.6 4,-1.6 -2,-0.3 5,-0.7 -0.864 4.4-158.7 -99.6 108.5 23.6 38.1 59.3 35 45 A N T 45S+ 0 0 73 -21,-2.3 -1,-0.1 -2,-0.7 -20,-0.1 0.623 89.2 52.1 -60.4 -15.4 25.6 38.3 62.4 36 46 A V T 45S+ 0 0 93 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.831 118.8 29.1 -92.8 -36.4 24.2 35.0 63.7 37 47 A N T 45S- 0 0 93 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.1 0.473 99.4-131.5-100.5 -3.0 24.7 32.7 60.7 38 48 A K T <5S+ 0 0 139 -4,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.792 71.7 99.8 58.9 33.8 27.8 34.6 59.6 39 49 A V E + 0 0 4 0, 0.0 3,-1.6 0, 0.0 2,-0.7 0.980 34.7 93.7 -74.6 -69.2 1.3 46.2 52.3 49 59 A F T 3 + 0 0 27 1,-0.3 271,-0.1 5,-0.1 6,-0.1 0.345 67.0 78.5 -2.7 -39.2 -1.3 47.5 54.8 50 60 A E T 3 S+ 0 0 164 -2,-0.7 -1,-0.3 -3,-0.2 2,-0.2 0.964 108.9 21.7 -47.9 -56.0 -2.5 50.5 52.8 51 61 A H S <> S- 0 0 117 -3,-1.6 4,-0.6 1,-0.1 5,-0.0 -0.498 75.0-131.1-106.6 176.1 -4.6 48.1 50.7 52 62 A Q H >> S+ 0 0 46 2,-0.2 4,-3.4 -2,-0.2 3,-1.3 0.926 98.3 58.3 -93.4 -63.4 -6.0 44.6 51.2 53 63 A T H 3> S+ 0 0 87 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.863 110.1 55.8 -33.0 -42.2 -5.2 42.4 48.2 54 64 A Y H 3> S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.894 111.8 36.6 -57.8 -49.9 -1.6 43.5 49.2 55 65 A C H X S+ 0 0 51 -4,-2.0 4,-1.9 -5,-0.4 3,-0.6 0.865 110.5 64.6 -84.1 -42.1 -0.9 38.1 49.5 58 68 A T H 3X S+ 0 0 9 -4,-2.5 2,-1.3 1,-0.3 4,-0.9 0.934 108.8 42.9 -44.7 -52.7 1.6 39.2 52.1 59 69 A L H 3< S+ 0 0 8 -4,-2.1 -1,-0.3 1,-0.2 267,-0.1 -0.655 113.7 52.3 -95.4 74.1 -0.0 36.7 54.4 60 70 A R H <> S+ 0 0 16 -2,-1.3 4,-1.9 -3,-0.6 -1,-0.2 0.130 102.2 52.2-171.2 -36.2 -0.3 34.0 51.8 61 71 A E H X S+ 0 0 10 -4,-1.9 4,-1.7 -3,-0.4 5,-0.3 0.731 112.4 52.0 -82.2 -26.9 3.2 33.7 50.4 62 72 A I H X S+ 0 0 5 -4,-0.9 4,-3.2 -5,-0.4 5,-0.3 0.984 109.0 47.7 -69.3 -57.3 4.1 33.4 54.1 63 73 A K H > S+ 0 0 51 2,-0.2 4,-1.0 3,-0.2 -2,-0.2 0.888 117.5 43.6 -48.6 -48.8 1.6 30.6 54.5 64 74 A I H >X S+ 0 0 5 -4,-1.9 3,-2.7 2,-0.2 4,-0.7 0.991 117.3 41.3 -59.7 -79.7 2.9 28.8 51.4 65 75 A L H >< S+ 0 0 7 -4,-1.7 3,-0.9 1,-0.3 11,-0.2 0.768 111.1 56.6 -38.5 -43.7 6.7 29.2 51.9 66 76 A L H 3< S+ 0 0 52 -4,-3.2 -1,-0.3 -5,-0.3 -2,-0.2 0.801 114.5 39.8 -65.4 -25.9 6.5 28.4 55.6 67 77 A R H << S+ 0 0 117 -3,-2.7 -1,-0.2 -4,-1.0 2,-0.2 0.351 106.2 78.9-103.2 4.4 4.9 25.1 54.8 68 78 A F << - 0 0 13 -3,-0.9 2,-0.1 -4,-0.7 62,-0.0 -0.695 49.0-175.9-109.5 165.3 6.9 24.2 51.7 69 79 A R + 0 0 235 -2,-0.2 2,-0.4 6,-0.1 5,-0.1 -0.483 23.6 142.4-161.6 81.4 10.4 22.7 51.4 70 80 A H > - 0 0 12 3,-0.2 3,-1.7 1,-0.1 5,-0.1 -0.979 50.1-134.2-129.8 140.6 11.8 22.3 47.9 71 81 A E T 3 S+ 0 0 111 -2,-0.4 -1,-0.1 1,-0.3 55,-0.1 0.749 110.1 52.4 -59.6 -25.3 15.4 22.8 46.6 72 82 A N T 3 S+ 0 0 3 82,-0.1 83,-2.1 50,-0.1 2,-0.4 -0.028 101.1 73.4-100.8 27.9 14.0 24.7 43.6 73 83 A I B < S-g 155 0C 9 -3,-1.7 2,-0.8 81,-0.3 -3,-0.2 -0.991 79.5-133.5-141.4 129.9 12.0 27.0 45.8 74 84 A I - 0 0 3 81,-1.6 83,-0.2 -2,-0.4 -3,-0.1 -0.788 33.1-157.9 -89.3 111.3 13.7 29.8 47.9 75 85 A G - 0 0 27 -2,-0.8 2,-0.6 -5,-0.1 21,-0.6 -0.113 22.1 -89.1 -83.5-178.4 12.2 29.6 51.4 76 86 A I E -F 95 0B 18 -11,-0.2 19,-0.2 1,-0.1 3,-0.1 -0.824 30.2-175.5 -94.2 118.1 11.8 32.0 54.3 77 87 A N E - 0 0 68 17,-3.1 2,-0.3 -2,-0.6 18,-0.2 0.796 68.1 -35.0 -83.4 -28.7 14.8 31.9 56.8 78 88 A D E -F 94 0B 23 16,-1.2 16,-3.6 2,-0.0 2,-0.4 -0.896 56.5-124.8 175.3 154.9 13.2 34.3 59.2 79 89 A I E -F 93 0B 1 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.968 13.1-153.9-123.6 137.3 10.9 37.4 59.4 80 90 A I E +F 92 0B 28 12,-2.7 12,-2.1 -2,-0.4 2,-0.2 -0.905 29.3 141.0-111.0 131.1 11.4 40.8 61.0 81 91 A R - 0 0 23 -2,-0.5 10,-0.1 10,-0.2 7,-0.1 -0.846 49.9 -75.9-150.1-176.7 8.6 43.0 62.3 82 92 A A - 0 0 20 -2,-0.2 6,-0.1 8,-0.2 3,-0.0 -0.402 35.7-122.8 -84.9 164.9 7.6 45.4 65.1 83 93 A P S S+ 0 0 85 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.703 94.1 53.9 -82.7 -18.3 6.6 44.1 68.5 84 94 A T S >> S- 0 0 62 1,-0.2 3,-3.0 0, 0.0 4,-1.2 -0.964 72.2-141.8-123.5 128.0 3.2 45.8 68.5 85 95 A I G >4 S+ 0 0 51 -2,-0.5 3,-1.7 1,-0.3 -1,-0.2 0.922 106.7 56.3 -43.9 -56.0 0.5 45.5 65.8 86 96 A E G 34 S+ 0 0 190 1,-0.3 -1,-0.3 -3,-0.1 3,-0.0 0.524 113.3 43.4 -56.8 -5.0 -0.3 49.2 66.2 87 97 A Q G <4 S+ 0 0 112 -3,-3.0 2,-0.8 -5,-0.0 -1,-0.3 0.510 87.6 104.6-115.7 -15.4 3.3 49.8 65.4 88 98 A M << + 0 0 0 -3,-1.7 3,-0.1 -4,-1.2 239,-0.1 -0.614 28.0 149.2 -76.2 107.7 3.7 47.2 62.5 89 99 A K + 0 0 155 -2,-0.8 2,-0.2 1,-0.3 -1,-0.1 -0.165 66.4 21.3-130.2 36.2 3.8 49.1 59.3 90 100 A D - 0 0 31 -43,-0.1 2,-0.4 -41,-0.0 -1,-0.3 -0.542 61.7-144.7 162.0 130.6 6.0 46.8 57.3 91 101 A V E -E 46 0B 1 -45,-2.4 -45,-2.2 -2,-0.2 2,-0.5 -0.880 9.0-156.4-112.2 144.1 7.2 43.1 57.2 92 102 A Y E -EF 45 80B 2 -12,-2.1 -12,-2.7 -2,-0.4 2,-0.6 -0.961 4.0-160.6-119.8 114.3 10.7 41.9 56.2 93 103 A I E -EF 44 79B 4 -49,-2.7 -49,-2.5 -2,-0.5 2,-0.5 -0.840 12.4-146.2 -98.0 122.4 11.1 38.3 55.0 94 104 A V E +EF 43 78B 0 -16,-3.6 -17,-3.1 -2,-0.6 -16,-1.2 -0.728 26.9 168.9 -87.9 131.8 14.6 37.1 55.2 95 105 A Q E -EF 42 76B 11 -53,-4.1 -53,-2.6 -2,-0.5 -19,-0.1 -0.812 38.5 -72.5-134.0 174.4 15.6 34.7 52.5 96 106 A D - 0 0 67 -21,-0.6 2,-0.8 -2,-0.3 -1,-0.2 -0.126 46.7-113.9 -62.7 164.4 18.8 33.0 51.1 97 107 A L - 0 0 62 -57,-0.3 -1,-0.1 -56,-0.1 2,-0.1 -0.844 35.0-167.1-107.7 97.5 21.2 35.0 49.1 98 108 A M - 0 0 32 -2,-0.8 50,-0.3 1,-0.1 3,-0.1 -0.371 24.7-125.0 -78.6 162.8 21.2 33.8 45.5 99 109 A E S S- 0 0 128 48,-1.0 49,-0.3 1,-0.3 2,-0.3 0.951 74.9 -35.6 -73.3 -51.6 23.8 34.8 43.0 100 110 A T E -H 147 0C 43 47,-2.9 47,-2.9 45,-0.0 2,-0.3 -0.951 59.9-108.1-162.3 172.7 21.6 36.1 40.2 101 111 A D E >> -H 146 0C 27 -2,-0.3 4,-2.1 45,-0.3 3,-0.9 -0.776 30.5-106.9-115.8 163.3 18.3 35.6 38.5 102 112 A L H 3> S+ 0 0 0 43,-3.0 4,-1.3 40,-0.8 41,-0.2 0.656 115.1 57.5 -57.8 -21.3 17.2 34.2 35.1 103 113 A Y H 34 S+ 0 0 116 39,-0.3 4,-0.5 42,-0.2 -1,-0.2 0.831 110.7 43.2 -80.0 -31.3 16.2 37.6 33.7 104 114 A K H X4 S+ 0 0 86 -3,-0.9 3,-0.5 2,-0.2 4,-0.3 0.920 110.6 54.4 -77.1 -47.3 19.6 39.0 34.3 105 115 A L H >X S+ 0 0 31 -4,-2.1 4,-3.1 1,-0.3 3,-1.7 0.915 110.3 45.6 -52.1 -51.0 21.5 36.0 33.0 106 116 A L T 3< S+ 0 0 10 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.712 99.2 72.7 -66.0 -22.4 19.7 36.0 29.6 107 117 A K T <4 S- 0 0 127 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.2 0.611 127.8 -5.3 -68.2 -11.7 20.3 39.7 29.5 108 118 A T T <4 S+ 0 0 109 -3,-1.7 -2,-0.2 -4,-0.3 -3,-0.1 0.476 114.7 80.7-146.0 -51.4 23.9 38.8 28.8 109 119 A Q < - 0 0 99 -4,-3.1 2,-0.6 -5,-0.3 -1,-0.2 -0.226 61.6-139.2 -70.0 157.5 24.8 35.2 28.9 110 120 A H - 0 0 144 -3,-0.1 -4,-0.1 92,-0.0 -1,-0.1 -0.811 24.8-137.6-118.9 86.2 24.2 32.6 26.2 111 121 A L - 0 0 10 -2,-0.6 92,-0.0 89,-0.1 -5,-0.0 -0.111 20.7-121.0 -44.9 132.0 23.0 29.5 27.9 112 122 A S > - 0 0 35 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.231 32.6 -98.3 -68.6 169.8 24.6 26.4 26.4 113 123 A N H > S+ 0 0 89 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.810 127.8 41.1 -61.5 -27.8 22.3 23.9 24.9 114 124 A D H > S+ 0 0 91 2,-0.2 4,-3.9 3,-0.1 5,-0.3 0.885 108.2 56.9 -86.4 -44.7 22.6 21.9 28.2 115 125 A H H > S+ 0 0 90 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.945 107.4 51.3 -51.7 -47.4 22.5 24.8 30.6 116 126 A I H X S+ 0 0 8 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.958 113.7 46.3 -51.7 -51.6 19.1 25.7 29.0 117 127 A C H X S+ 0 0 8 -4,-1.0 4,-1.8 -5,-0.2 -2,-0.2 0.933 111.1 49.2 -57.2 -52.8 18.2 22.1 29.6 118 128 A Y H X S+ 0 0 74 -4,-3.9 4,-2.0 2,-0.2 -1,-0.2 0.897 112.5 48.0 -59.2 -40.2 19.5 21.9 33.2 119 129 A F H X S+ 0 0 8 -4,-2.8 4,-2.7 -5,-0.3 -2,-0.2 0.974 110.6 51.0 -63.4 -52.8 17.7 25.1 34.2 120 130 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.782 108.0 54.6 -54.5 -29.8 14.4 24.0 32.6 121 131 A Y H X S+ 0 0 10 -4,-1.8 4,-3.1 -5,-0.2 -1,-0.2 0.988 108.8 46.3 -67.5 -57.0 14.7 20.7 34.5 122 132 A Q H X S+ 0 0 6 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.897 111.2 53.4 -49.7 -49.2 15.0 22.4 37.9 123 133 A I H >X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 3,-0.9 0.976 113.0 40.8 -52.2 -65.1 12.1 24.8 37.1 124 134 A L H 3X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.3 -1,-0.2 0.869 111.2 60.5 -52.6 -37.1 9.7 22.0 36.2 125 135 A R H 3< S+ 0 0 16 -4,-3.1 -1,-0.3 2,-0.2 -2,-0.2 0.881 109.8 39.6 -60.3 -39.3 11.1 20.0 39.2 126 136 A G H S+ 0 0 14 -2,-2.3 4,-4.2 174,-0.2 175,-0.4 -0.051 105.0 60.8-176.1 -58.6 5.6 20.0 43.7 130 140 A I H <>S+ 0 0 0 -4,-1.8 5,-3.4 1,-0.2 -2,-0.2 0.824 118.2 43.3 -56.5 -22.7 4.0 23.4 44.1 131 141 A H T ><5S+ 0 0 11 -4,-1.3 3,-4.2 -5,-0.3 -1,-0.2 0.899 106.8 52.4 -87.9 -47.4 1.5 21.4 42.0 132 142 A S T 345S+ 0 0 43 1,-0.3 -2,-0.2 -5,-0.2 -1,-0.1 0.922 110.3 54.8 -53.0 -34.2 1.6 18.1 43.8 133 143 A A T 3<5S- 0 0 0 -4,-4.2 175,-0.7 2,-0.1 -1,-0.3 0.525 119.6-124.4 -72.1 -7.4 0.8 20.6 46.6 134 144 A N T < 5 + 0 0 48 -3,-4.2 30,-2.9 1,-0.2 2,-0.4 0.849 66.0 134.3 64.1 38.2 -2.1 21.7 44.4 135 145 A V B < -J 163 0D 0 -5,-3.4 2,-0.5 28,-0.3 28,-0.2 -0.968 48.5-142.7-122.4 131.9 -0.9 25.3 44.3 136 146 A L - 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0 0 64 3,-0.1 -2,-0.0 4,-0.1 -56,-0.0 -0.075 31.4-136.8 97.7 162.4 -16.3 32.3 22.3 237 258 A L S > S+ 0 0 115 3,-0.1 4,-1.8 -2,-0.0 5,-0.3 0.664 94.9 28.6-118.3 -76.7 -18.9 34.6 20.6 238 259 A K H > S+ 0 0 177 1,-0.2 4,-0.8 2,-0.2 -2,-0.0 0.785 124.4 55.5 -61.9 -26.0 -18.0 38.3 20.4 239 260 A A H > S+ 0 0 31 2,-0.2 4,-1.5 3,-0.2 5,-0.3 0.980 102.8 50.5 -69.9 -60.4 -14.4 37.1 20.3 240 261 A R H >4 S+ 0 0 89 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.917 117.7 40.2 -42.5 -57.1 -14.7 34.8 17.3 241 262 A N H >< S+ 0 0 63 -4,-1.8 3,-1.5 1,-0.3 4,-0.5 0.799 104.3 67.9 -63.8 -28.5 -16.3 37.5 15.2 242 263 A Y H >< S+ 0 0 80 -4,-0.8 3,-0.9 1,-0.3 4,-0.5 0.839 98.9 52.7 -58.1 -28.7 -13.8 39.8 16.9 243 264 A L T << S+ 0 0 57 -4,-1.5 -1,-0.3 -3,-1.2 -2,-0.3 0.673 87.3 79.0 -78.4 -19.3 -11.6 37.7 14.7 244 265 A L T < S+ 0 0 136 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.717 103.6 37.4 -61.1 -17.5 -13.9 38.6 11.8 245 266 A S S < S+ 0 0 88 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.598 107.8 80.3-101.7 -22.0 -11.8 41.8 12.0 246 267 A L S S- 0 0 48 -4,-0.5 -1,-0.1 -6,-0.2 3,-0.1 -0.766 81.6-141.3 -89.3 106.9 -8.8 39.6 12.8 247 268 A P - 0 0 101 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 0.056 30.4 -91.0 -55.8 179.0 -7.4 38.1 9.5 248 269 A H - 0 0 123 -4,-0.1 2,-0.4 -23,-0.1 -24,-0.0 -0.805 38.7-159.4 -98.9 137.7 -6.2 34.6 9.6 249 270 A K - 0 0 113 -2,-0.4 -24,-0.9 -3,-0.1 2,-0.2 -0.943 16.3-123.3-119.6 140.2 -2.5 33.9 10.4 250 271 A N - 0 0 115 -2,-0.4 -26,-0.4 -26,-0.2 2,-0.1 -0.550 34.4-103.4 -79.5 142.5 -0.6 30.7 9.5 251 272 A K - 0 0 100 -28,-0.3 -28,-0.2 -2,-0.2 -29,-0.1 -0.439 32.4-133.8 -65.2 135.3 1.1 28.8 12.3 252 273 A V - 0 0 40 -30,-3.0 -1,-0.1 -2,-0.1 5,-0.1 -0.831 22.3-124.9 -93.4 110.0 4.8 29.5 12.2 253 274 A P - 0 0 46 0, 0.0 3,-0.3 0, 0.0 -1,-0.0 -0.052 18.8-119.4 -48.4 159.7 6.7 26.2 12.5 254 275 A W S >> S+ 0 0 18 1,-0.2 4,-2.0 2,-0.1 3,-1.2 0.701 104.8 70.9 -77.8 -18.9 9.2 26.2 15.4 255 276 A N T 34 S+ 0 0 115 1,-0.2 -1,-0.2 2,-0.2 6,-0.2 0.877 91.9 59.7 -62.4 -41.0 12.2 25.6 13.1 256 277 A R T 34 S+ 0 0 192 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.364 114.7 31.9 -71.5 3.5 12.0 29.1 11.7 257 278 A L T <4 S+ 0 0 70 -3,-1.2 3,-0.2 1,-0.1 -2,-0.2 0.633 130.7 30.5-121.1 -50.9 12.4 30.9 15.0 258 279 A F S >< S+ 0 0 13 -4,-2.0 3,-0.7 1,-0.2 -2,-0.1 -0.720 76.8 157.4-112.7 71.4 14.7 28.6 17.0 259 280 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.940 72.7 40.2 -63.8 -54.7 16.6 27.1 14.0 260 281 A N T 3 S+ 0 0 162 -3,-0.2 2,-0.3 -59,-0.1 3,-0.1 0.181 93.5 120.4 -85.8 21.4 19.7 26.0 15.7 261 282 A A S < S- 0 0 18 -3,-0.7 5,-0.1 -6,-0.2 -3,-0.1 -0.636 77.4 -86.4 -89.8 144.3 17.7 24.7 18.7 262 283 A D > - 0 0 64 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.141 34.7-125.1 -46.7 130.5 17.8 21.0 19.8 263 284 A S H > S+ 0 0 102 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.816 111.3 39.0 -48.8 -37.7 15.2 19.0 17.9 264 285 A K H > S+ 0 0 71 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.838 105.8 63.4 -84.2 -37.0 13.7 17.8 21.2 265 286 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.895 108.5 46.1 -56.0 -35.1 14.0 21.1 23.1 266 287 A L H X S+ 0 0 13 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.930 106.4 55.9 -74.5 -42.4 11.6 22.3 20.4 267 288 A D H X S+ 0 0 74 -4,-1.2 4,-1.6 1,-0.2 3,-0.5 0.934 111.7 45.0 -54.2 -45.3 9.2 19.4 20.6 268 289 A L H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.923 108.3 56.2 -65.2 -42.5 8.8 20.1 24.4 269 290 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.762 106.7 54.6 -59.9 -22.2 8.4 23.8 23.7 270 291 A D H < S+ 0 0 57 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.894 103.4 50.2 -79.5 -41.5 5.6 22.8 21.5 271 292 A K H < S+ 0 0 68 -4,-1.6 10,-1.3 1,-0.2 3,-0.4 0.822 115.5 46.5 -66.1 -28.0 3.6 20.8 24.0 272 293 A M H < S+ 0 0 0 -4,-1.7 2,-1.2 1,-0.2 -2,-0.2 0.894 104.2 57.9 -80.9 -44.1 3.9 23.7 26.4 273 294 A L S < S+ 0 0 2 -4,-1.8 2,-0.4 -5,-0.2 -1,-0.2 -0.191 75.2 137.2 -84.3 48.3 2.9 26.6 24.1 274 295 A T - 0 0 32 -2,-1.2 -83,-0.1 -3,-0.4 5,-0.1 -0.798 50.9-144.6 -95.2 134.5 -0.4 25.1 23.2 275 296 A F S S+ 0 0 37 -2,-0.4 -99,-0.3 -52,-0.1 -1,-0.2 0.948 85.1 70.2 -62.1 -52.7 -3.3 27.5 23.1 276 297 A N S > S- 0 0 33 1,-0.2 3,-2.1 3,-0.1 -2,-0.1 -0.586 70.3-156.3 -74.6 114.4 -5.9 25.1 24.4 277 298 A P G > S+ 0 0 17 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.792 92.9 64.8 -57.8 -27.6 -5.1 24.5 28.1 278 299 A H G 3 S+ 0 0 114 1,-0.3 -2,-0.1 -46,-0.2 -3,-0.0 0.519 107.6 38.5 -75.6 -5.1 -7.0 21.2 27.7 279 300 A K G < S+ 0 0 143 -3,-2.1 2,-0.5 2,-0.1 -1,-0.3 -0.229 90.9 118.8-134.9 38.6 -4.4 19.9 25.3 280 301 A R S < S- 0 0 10 -3,-1.2 -8,-0.2 -5,-0.1 -9,-0.1 -0.950 72.2-106.4-113.7 118.5 -1.4 21.4 27.1 281 302 A I - 0 0 13 -10,-1.3 2,-0.1 -2,-0.5 -7,-0.1 -0.014 36.0-122.7 -42.8 137.2 1.2 18.9 28.4 282 303 A E > - 0 0 116 1,-0.1 4,-1.0 -92,-0.0 -1,-0.1 -0.352 19.4-108.3 -83.0 165.3 1.2 18.4 32.1 283 304 A V H > S+ 0 0 13 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.899 115.2 42.0 -59.9 -50.6 4.2 18.9 34.5 284 305 A E H > S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.930 115.2 51.0 -66.8 -42.8 5.0 15.3 35.3 285 306 A Q H > S+ 0 0 97 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.735 107.5 57.7 -65.0 -19.8 4.6 14.2 31.7 286 307 A A H < S+ 0 0 0 -4,-1.0 6,-0.4 2,-0.2 -1,-0.2 0.852 104.3 46.8 -78.7 -38.7 6.9 17.1 30.9 287 308 A L H < S+ 0 0 0 -4,-1.5 9,-0.3 -3,-0.3 -2,-0.2 0.940 110.1 57.0 -67.0 -44.7 9.9 16.0 33.0 288 309 A A H < S+ 0 0 47 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.954 83.6 112.1 -46.2 -61.8 9.3 12.6 31.5 289 310 A H S >< S- 0 0 13 -4,-1.8 3,-1.1 1,-0.1 7,-0.2 0.341 81.8-113.0 -18.4 131.4 9.7 14.0 28.0 290 311 A P G > S+ 0 0 68 0, 0.0 3,-0.6 0, 0.0 4,-0.2 0.774 111.8 61.2 -40.3 -46.9 12.9 12.9 26.1 291 312 A Y G 3 S+ 0 0 15 1,-0.3 2,-1.5 -27,-0.2 3,-0.2 0.914 103.1 50.8 -52.4 -49.0 14.5 16.4 26.1 292 313 A L G <> S+ 0 0 0 -3,-1.1 4,-0.7 -6,-0.4 -1,-0.3 -0.470 84.4 123.2 -88.2 62.1 14.7 16.4 29.9 293 314 A E T X4 + 0 0 130 -2,-1.5 3,-0.9 -3,-0.6 -1,-0.2 0.953 58.7 47.7 -87.9 -76.7 16.3 13.0 30.0 294 315 A Q T 34 S+ 0 0 138 1,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.491 122.8 43.7 -48.8 0.9 19.6 12.8 31.8 295 316 A Y T 34 S+ 0 0 50 -8,-0.2 2,-0.3 -178,-0.0 -1,-0.3 0.688 77.7 106.3-117.0 -34.6 17.8 14.8 34.5 296 317 A Y << + 0 0 74 -3,-0.9 5,-0.0 -4,-0.7 -175,-0.0 -0.318 40.2 163.1 -52.0 109.7 14.3 13.2 34.9 297 318 A D > - 0 0 67 -2,-0.3 3,-1.2 1,-0.1 -1,-0.1 -0.614 17.1-177.6-137.8 79.2 14.8 11.4 38.2 298 319 A P G > S+ 0 0 74 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.756 83.7 56.9 -43.0 -42.2 11.4 10.4 39.8 299 320 A S G 3 S+ 0 0 113 1,-0.2 0, 0.0 3,-0.0 0, 0.0 -0.028 115.2 40.4 -86.0 33.7 12.9 8.9 43.0 300 321 A D G < S+ 0 0 72 -3,-1.2 -1,-0.2 2,-0.0 -3,-0.0 0.167 92.7 87.2-159.5 9.0 14.6 12.3 43.5 301 322 A E S < S- 0 0 5 -3,-1.2 -5,-0.0 -4,-0.1 -2,-0.0 -0.659 70.3-154.4-121.1 75.7 11.8 14.7 42.5 302 323 A P - 0 0 58 0, 0.0 2,-0.4 0, 0.0 -170,-0.1 0.006 1.9-146.8 -49.7 145.8 9.8 15.1 45.8 303 324 A I - 0 0 105 1,-0.2 -174,-0.2 -171,-0.1 -173,-0.1 -0.941 37.4 -70.5-122.5 142.3 6.1 16.1 45.8 304 325 A A - 0 0 15 -175,-0.4 -1,-0.2 -2,-0.4 -236,-0.1 0.247 38.4-126.8 -25.8 144.6 4.1 18.2 48.3 305 326 A E S S- 0 0 134 1,-0.3 -1,-0.1 -3,-0.1 -237,-0.1 0.971 83.8 -20.4 -62.6 -58.0 3.5 16.7 51.7 306 327 A A S S- 0 0 50 -173,-0.0 -1,-0.3 1,-0.0 -173,-0.1 -0.977 76.0 -97.8-156.7 143.2 -0.3 17.3 51.5 307 328 A P - 0 0 78 0, 0.0 -173,-0.2 0, 0.0 -174,-0.1 0.118 37.6-125.5 -53.3 171.1 -2.6 19.6 49.6 308 329 A F + 0 0 21 -175,-0.7 -173,-0.0 -174,-0.1 -174,-0.0 -0.097 42.4 144.8-104.7-156.9 -4.0 22.9 50.9 309 330 A K + 0 0 157 -2,-0.1 -1,-0.0 4,-0.0 0, 0.0 0.654 26.5 163.3 122.7 47.2 -7.5 24.6 51.3 310 331 A F - 0 0 65 1,-0.0 -2,-0.0 3,-0.0 0, 0.0 0.743 47.9 -93.8 -61.1-129.5 -7.4 26.7 54.5 311 332 A D S S+ 0 0 152 2,-0.1 -1,-0.0 0, 0.0 0, 0.0 0.656 99.7 70.3-133.9 -15.1 -10.0 29.3 55.3 312 333 A M + 0 0 14 1,-0.1 5,-0.2 4,-0.1 10,-0.0 0.461 61.7 145.9 -75.7 -23.5 -8.9 32.9 54.1 313 334 A E - 0 0 54 3,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.497 59.9 -20.3 18.4-123.1 -9.1 32.5 50.3 314 335 A L S S- 0 0 73 -152,-0.0 3,-0.1 2,-0.0 -261,-0.0 -0.829 113.4 -13.5-109.1 152.9 -10.2 35.4 48.0 315 336 A D S S+ 0 0 110 -2,-0.3 2,-0.9 1,-0.2 0, 0.0 0.232 96.4 79.5 45.1-172.5 -12.2 38.3 49.5 316 337 A D + 0 0 130 -3,-0.0 -1,-0.2 0, 0.0 -4,-0.1 -0.731 67.4 81.4 87.9-102.8 -13.8 38.2 52.9 317 338 A L S S- 0 0 52 -2,-0.9 2,-0.1 -5,-0.2 -2,-0.0 -0.143 73.4-140.0 -43.9 116.9 -11.2 38.9 55.6 318 339 A P >> - 0 0 70 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.471 27.8 -98.4 -80.3 153.0 -10.7 42.7 55.9 319 340 A K H >> S+ 0 0 114 1,-0.3 4,-2.9 2,-0.2 3,-1.8 0.873 121.8 56.6 -34.0 -73.4 -7.2 44.1 56.5 320 341 A E H 3> S+ 0 0 92 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.819 111.9 44.3 -27.8 -55.8 -7.5 44.5 60.2 321 342 A K H <> S+ 0 0 103 -3,-0.8 4,-1.4 1,-0.2 -1,-0.3 0.878 116.8 46.2 -62.0 -36.9 -8.4 40.8 60.4 322 343 A L H < S+ 0 0 105 -4,-4.2 3,-1.4 1,-0.2 4,-0.5 0.883 116.4 54.0 -67.1 -34.4 0.4 36.3 65.0 329 350 A E H >< S+ 0 0 34 -4,-4.4 3,-0.6 -5,-0.3 -2,-0.2 0.928 109.4 47.6 -62.7 -44.9 1.7 34.2 62.1 330 351 A T T 3< S+ 0 0 0 -4,-2.8 -1,-0.3 -5,-0.4 -2,-0.2 0.054 91.0 91.9 -84.8 26.2 4.9 36.1 62.1 331 352 A A T X S+ 0 0 43 -3,-1.4 3,-1.5 2,-0.2 -1,-0.2 0.877 71.8 60.9 -87.5 -42.7 5.2 35.7 65.9 332 353 A R T < S+ 0 0 156 -3,-0.6 -1,-0.1 -4,-0.5 -2,-0.1 0.752 107.2 50.1 -56.5 -24.3 7.2 32.5 66.1 333 354 A F T 3 S+ 0 0 46 -4,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.633 89.3 98.1 -88.6 -16.4 10.0 34.3 64.3 334 355 A Q S < S- 0 0 45 -3,-1.5 -254,-0.1 -4,-0.2 -252,-0.0 -0.644 82.3-118.0 -78.6 120.4 9.8 37.3 66.6 335 356 A P 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.080 360.0 360.0 -54.0 151.1 12.5 37.0 69.3 336 357 A G 0 0 129 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.578 360.0 360.0 89.7 360.0 11.6 36.7 72.9