==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-JUN-08 2ZOQ . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.KINOSHITA,T.TADA,S.NAKAE,I.YOSHIDA . 704 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31292.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 429 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 34 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.7 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 4 2 0 3 0 1 3 2 1 0 0 1 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 4 5 0 1 2 3 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 . 3 0 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 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 24 A V 0 0 190 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 52.4 19.0 20.3 42.5 2 25 A P + 0 0 133 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.050 360.0 115.8 -73.6-172.0 16.7 20.5 39.4 3 26 A G + 0 0 60 13,-0.0 13,-0.0 0, 0.0 0, 0.0 -0.589 28.7 173.5 150.1 -83.1 17.5 21.9 36.0 4 27 A E + 0 0 51 -2,-0.1 10,-0.1 13,-0.0 16,-0.1 0.115 44.8 84.2 61.9 172.1 17.6 19.6 33.0 5 28 A V + 0 0 68 8,-0.3 9,-0.1 1,-0.1 15,-0.0 0.995 42.1 166.5 58.1 79.0 18.0 20.8 29.5 6 29 A E - 0 0 82 7,-0.6 8,-0.1 5,-0.0 -1,-0.1 0.680 32.9-141.0 -93.0 -24.2 21.8 21.1 29.1 7 30 A M - 0 0 75 1,-0.1 2,-0.5 3,-0.1 3,-0.0 0.772 9.5-146.6 62.3 121.1 21.9 21.5 25.3 8 31 A V B > S-A 11 0A 8 3,-1.6 3,-1.6 15,-0.1 2,-0.6 -0.984 84.9 -17.0-115.0 123.4 24.6 19.9 23.2 9 32 A K T 3 S- 0 0 131 -2,-0.5 15,-0.0 1,-0.2 0, 0.0 -0.690 130.0 -45.2 76.9-119.8 25.3 22.2 20.3 10 33 A G T 3 S+ 0 0 67 -2,-0.6 -1,-0.2 2,-0.1 -3,-0.1 0.134 115.7 99.1-130.2 19.1 22.2 24.4 20.4 11 34 A Q B < S-A 8 0A 93 -3,-1.6 -3,-1.6 1,-0.0 2,-0.0 -0.855 75.7-106.7-112.0 144.5 19.6 21.7 20.9 12 35 A P - 0 0 68 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.339 20.9-165.0 -67.9 145.5 17.9 20.5 24.1 13 36 A F - 0 0 1 -2,-0.0 2,-1.7 9,-0.0 -7,-0.6 -0.691 9.2-174.3-131.7 73.9 18.9 17.1 25.6 14 37 A D + 0 0 89 -2,-0.3 82,-0.1 1,-0.2 -10,-0.0 -0.558 42.4 116.3 -75.2 86.5 16.1 16.5 28.1 15 38 A V > + 0 0 5 -2,-1.7 4,-1.1 4,-0.2 3,-0.4 0.425 48.7 143.8-129.8 -7.9 17.4 13.4 29.8 16 39 A G T 4 + 0 0 18 -3,-0.4 4,-0.1 1,-0.2 -11,-0.0 -0.248 40.9 41.7 -69.8 165.8 17.9 14.5 33.4 17 40 A P T 4 S+ 0 0 119 0, 0.0 -1,-0.2 0, 0.0 22,-0.2 -0.978 124.0 43.4 -73.6 -24.5 17.7 13.7 36.3 18 41 A R T 4 S+ 0 0 74 -3,-0.4 21,-3.6 1,-0.1 2,-0.4 0.932 124.5 30.7 -46.5 -56.7 19.2 10.3 35.4 19 42 A Y E < +B 38 0B 1 -4,-1.1 2,-0.3 19,-0.2 -4,-0.2 -0.888 69.1 150.5-113.4 139.6 21.8 11.7 33.1 20 43 A T E +B 37 0B 36 17,-1.1 17,-3.0 -2,-0.4 -2,-0.0 -0.868 45.5 66.1-149.7 176.6 23.5 15.1 33.3 21 44 A Q E S- 0 0 116 -2,-0.3 -1,-0.1 15,-0.2 14,-0.1 0.903 71.6-164.9 68.7 43.3 26.9 16.5 32.2 22 45 A L E - 0 0 22 14,-0.1 2,-0.4 -3,-0.1 14,-0.2 -0.301 11.9-174.7 -64.7 143.1 26.2 16.1 28.5 23 46 A Q E -B 35 0B 110 12,-2.2 12,-2.4 -15,-0.1 -15,-0.1 -0.948 29.5-114.2-144.2 119.4 29.0 16.3 26.0 24 47 A Y E +B 34 0B 96 -2,-0.4 10,-0.3 10,-0.3 3,-0.1 -0.232 29.7 179.3 -51.9 127.9 28.7 16.1 22.2 25 48 A I E - 0 0 71 8,-3.1 2,-0.3 1,-0.3 9,-0.2 0.780 49.5 -82.7-100.6 -39.7 30.3 13.0 20.8 26 49 A G E -B 33 0B 15 7,-1.9 7,-1.6 1,-0.2 -1,-0.3 -0.898 52.5 -27.5 158.2 172.1 29.5 13.6 17.2 27 50 A E + 0 0 154 -2,-0.3 6,-0.7 5,-0.2 -1,-0.2 0.711 31.3 176.3 -20.4-155.2 27.6 13.6 14.0 28 51 A G - 0 0 22 4,-0.1 -2,-0.0 2,-0.1 -1,-0.0 0.335 26.7-155.2 132.3 88.3 24.8 11.3 12.9 29 52 A A S S+ 0 0 79 1,-0.1 3,-0.1 3,-0.0 -2,-0.0 0.849 110.4 47.5 -49.2 -26.1 23.0 11.9 9.6 30 53 A Y S S- 0 0 46 1,-0.3 21,-0.3 20,-0.0 2,-0.2 0.922 129.6 -38.3 -73.8 -93.2 20.6 10.0 11.8 31 54 A G - 0 0 10 19,-0.1 2,-0.5 -4,-0.1 -1,-0.3 -0.591 64.9 -79.7-128.4-171.8 20.7 11.8 15.1 32 55 A M E - C 0 49B 31 17,-1.9 17,-3.8 -2,-0.2 2,-0.5 -0.812 37.0-155.4 -98.3 132.9 23.0 13.5 17.6 33 56 A V E +BC 26 48B 32 -7,-1.6 -8,-3.1 -6,-0.7 -7,-1.9 -0.915 19.0 165.4-111.8 131.4 25.1 11.5 19.9 34 57 A S E -BC 24 47B 0 13,-1.9 13,-3.3 -2,-0.5 2,-0.3 -0.834 30.2-124.5-133.2 170.3 26.4 12.8 23.3 35 58 A S E +BC 23 46B 6 -12,-2.4 -12,-2.2 -2,-0.3 2,-0.3 -0.886 32.9 172.1-117.1 150.5 27.9 11.3 26.4 36 59 A A E - C 0 45B 0 9,-2.7 9,-3.0 -2,-0.3 2,-0.6 -0.990 37.2 -97.9-156.0 160.4 26.4 11.8 29.8 37 60 A Y E -BC 20 44B 70 -17,-3.0 -17,-1.1 -2,-0.3 2,-0.9 -0.730 30.5-145.1 -86.1 116.7 26.7 10.7 33.4 38 61 A D E > -BC 19 43B 0 5,-3.0 5,-1.2 -2,-0.6 4,-0.4 -0.724 9.1-162.3 -82.9 109.3 24.2 8.0 34.4 39 62 A H T 5S+ 0 0 86 -21,-3.6 -1,-0.2 -2,-0.9 -20,-0.1 0.668 85.3 45.0 -66.5 -20.5 23.3 8.7 38.0 40 63 A V T 5S+ 0 0 91 -22,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.881 123.1 33.8 -89.4 -45.3 21.7 5.3 38.8 41 64 A R T 5S- 0 0 61 2,-0.2 -2,-0.2 1,-0.0 -1,-0.1 0.395 102.5-140.5 -86.9 4.0 24.4 3.2 37.2 42 65 A K T 5 + 0 0 143 -4,-0.4 2,-0.3 1,-0.1 -3,-0.2 0.825 64.5 104.1 37.8 47.4 26.8 5.9 38.3 43 66 A T E - 0 0 97 1,-0.1 4,-2.1 279,-0.1 -2,-0.5 -0.912 69.3-151.2-150.9 116.6 9.8 13.0 7.9 56 79 A Q H > S+ 0 0 47 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.832 99.3 56.1 -57.7 -34.9 8.3 9.6 7.1 57 80 A T H > S+ 0 0 77 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.906 107.5 47.1 -65.1 -43.5 11.7 8.4 5.8 58 81 A Y H > S+ 0 0 100 -3,-0.2 4,-2.8 1,-0.2 5,-0.2 0.898 109.6 55.6 -64.7 -39.8 13.4 9.2 9.1 59 82 A C H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.913 108.4 47.5 -58.3 -44.0 10.6 7.5 11.0 60 83 A Q H X S+ 0 0 24 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.981 113.8 46.2 -60.6 -58.2 11.2 4.3 9.0 61 84 A R H X S+ 0 0 30 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.843 113.4 49.6 -54.0 -38.4 14.9 4.4 9.6 62 85 A T H X S+ 0 0 10 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.900 111.6 48.3 -69.6 -41.8 14.5 5.1 13.3 63 86 A L H X S+ 0 0 4 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.894 112.2 48.8 -65.6 -41.6 12.0 2.3 13.8 64 87 A R H X S+ 0 0 29 -4,-2.7 4,-2.3 2,-0.2 5,-0.3 0.953 111.6 49.3 -64.2 -47.8 14.2 -0.2 12.0 65 88 A E H X S+ 0 0 2 -4,-2.2 4,-2.7 -5,-0.2 5,-0.3 0.965 115.5 43.6 -54.0 -56.8 17.2 0.8 14.0 66 89 A I H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.930 113.5 49.1 -54.3 -54.7 15.3 0.5 17.3 67 90 A Q H X S+ 0 0 1 -4,-2.7 4,-0.9 2,-0.2 -1,-0.2 0.847 116.9 42.4 -55.7 -40.5 13.5 -2.8 16.5 68 91 A I H >X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.2 3,-0.8 0.969 114.7 46.9 -73.0 -57.3 16.8 -4.4 15.4 69 92 A L H 3< S+ 0 0 6 -4,-2.7 11,-0.4 -5,-0.3 -2,-0.2 0.795 110.7 54.9 -56.1 -29.0 19.0 -3.2 18.1 70 93 A L H 3< S+ 0 0 5 -4,-2.2 457,-0.4 -5,-0.3 -1,-0.3 0.840 114.5 40.2 -73.9 -31.3 16.4 -4.2 20.7 71 94 A R H << S+ 0 0 18 -4,-0.9 2,-0.2 -3,-0.8 -2,-0.2 0.562 100.6 86.0 -92.6 -11.9 16.3 -7.7 19.3 72 95 A F < + 0 0 11 -4,-1.6 2,-0.3 6,-0.1 455,-0.1 -0.627 47.0 177.8 -90.8 152.8 20.1 -8.1 18.8 73 96 A R + 0 0 152 -2,-0.2 2,-0.3 6,-0.1 5,-0.1 -0.823 25.9 127.6-155.0 105.0 22.5 -9.3 21.5 74 97 A H B > -F 77 0C 14 3,-0.5 3,-1.9 -2,-0.3 56,-0.0 -0.928 59.3-123.1-163.9 139.8 26.1 -9.8 20.5 75 98 A E T 3 S+ 0 0 130 1,-0.3 -1,-0.1 -2,-0.3 4,-0.1 0.833 113.1 48.4 -53.9 -39.8 29.5 -8.5 21.8 76 99 A N T 3 S+ 0 0 7 82,-0.1 83,-2.7 53,-0.1 2,-0.4 0.116 104.3 74.3 -92.5 25.9 30.5 -7.0 18.5 77 100 A V B < S-Fg 74 159C 10 -3,-1.9 -3,-0.5 81,-0.3 2,-0.2 -0.992 85.1-119.2-139.8 125.8 27.2 -5.2 18.2 78 101 A I - 0 0 11 81,-1.4 -6,-0.1 -2,-0.4 2,-0.1 -0.454 32.7-159.8 -68.3 128.0 26.1 -2.2 20.2 79 102 A G - 0 0 28 -2,-0.2 2,-0.5 -4,-0.1 21,-0.3 -0.274 18.9-105.1 -98.2-174.5 23.0 -2.7 22.4 80 103 A I - 0 0 10 -11,-0.4 19,-0.2 444,-0.2 3,-0.1 -0.969 22.1-175.7-120.0 118.9 20.5 -0.4 24.0 81 104 A R S S- 0 0 100 17,-2.6 2,-0.3 -2,-0.5 443,-0.2 0.875 71.9 -21.6 -76.9 -41.2 20.6 0.2 27.8 82 105 A D E -E 98 0B 32 16,-1.5 16,-3.0 441,-0.1 2,-0.4 -0.975 52.8-137.0-162.4 166.6 17.5 2.3 27.9 83 106 A I E -E 97 0B 1 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.977 16.4-160.3-137.4 120.8 15.2 4.5 25.8 84 107 A L E +E 96 0B 31 12,-2.6 12,-2.9 -2,-0.4 2,-0.3 -0.837 26.4 138.0-105.5 139.7 13.7 7.8 26.9 85 108 A R - 0 0 24 -2,-0.4 10,-0.1 10,-0.2 7,-0.1 -0.969 55.7 -65.1-166.7 165.3 10.7 9.4 25.4 86 109 A A - 0 0 29 8,-0.4 6,-0.1 -2,-0.3 263,-0.0 -0.281 34.0-135.1 -60.9 144.9 7.5 11.3 26.4 87 110 A S S S+ 0 0 97 4,-0.1 2,-0.4 1,-0.1 -1,-0.1 0.578 92.5 66.1 -76.6 -7.6 4.9 9.4 28.4 88 111 A T S > S- 0 0 49 1,-0.1 4,-1.6 0, 0.0 -2,-0.1 -0.962 75.6-144.6-120.2 128.5 2.3 10.9 26.0 89 112 A L T >4 S+ 0 0 31 -2,-0.4 3,-0.7 1,-0.2 -1,-0.1 0.930 104.0 51.0 -51.2 -51.9 2.1 10.2 22.3 90 113 A E T 34 S+ 0 0 144 1,-0.2 -1,-0.2 -3,-0.1 -4,-0.0 0.874 114.1 42.9 -54.2 -44.7 1.1 13.7 21.6 91 114 A A T 34 S+ 0 0 56 -3,-0.1 2,-0.5 2,-0.0 -1,-0.2 0.611 84.1 112.0 -81.3 -13.6 4.0 15.2 23.6 92 115 A M << + 0 0 1 -4,-1.6 3,-0.1 -3,-0.7 250,-0.0 -0.492 28.9 158.4 -67.6 114.8 6.6 12.8 22.3 93 116 A R + 0 0 121 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.707 61.5 5.1-105.7 -32.8 9.0 14.9 20.1 94 117 A D - 0 0 34 -43,-0.1 -8,-0.4 -41,-0.1 2,-0.4 -0.952 61.9-122.7-149.5 169.7 12.1 12.7 20.1 95 118 A V E -D 50 0B 0 -45,-2.5 -45,-3.0 -2,-0.3 2,-0.6 -0.949 15.1-153.8-120.0 136.7 13.6 9.5 21.2 96 119 A Y E -DE 49 84B 8 -12,-2.9 -12,-2.6 -2,-0.4 2,-0.7 -0.921 6.4-163.4-113.0 111.3 16.7 9.1 23.4 97 120 A I E -DE 48 83B 1 -49,-2.3 -49,-2.2 -2,-0.6 2,-0.6 -0.832 6.9-157.1 -96.3 117.4 18.7 5.9 23.0 98 121 A V E +DE 47 82B 0 -16,-3.0 -17,-2.6 -2,-0.7 -16,-1.5 -0.852 22.8 167.1 -97.1 121.2 21.0 5.3 25.9 99 122 A Q E -D 46 0B 20 -53,-3.3 -53,-3.3 -2,-0.6 -19,-0.1 -0.894 43.4 -77.6-131.8 162.0 23.9 3.0 25.0 100 123 A D E -D 45 0B 57 -2,-0.3 2,-0.4 -21,-0.3 -55,-0.2 -0.305 53.5-114.2 -58.9 137.8 27.3 1.9 26.4 101 124 A L - 0 0 46 -57,-0.6 2,-0.3 -65,-0.1 -1,-0.1 -0.622 29.7-162.7 -80.3 129.6 29.9 4.6 26.0 102 125 A M - 0 0 20 -2,-0.4 50,-0.2 1,-0.1 3,-0.1 -0.829 20.1-131.6-109.0 149.6 32.8 3.7 23.7 103 126 A E S S- 0 0 111 -2,-0.3 2,-0.2 1,-0.1 49,-0.2 0.953 75.1 -20.4 -67.8 -52.3 36.0 5.6 23.7 104 127 A T E -H 151 0C 42 47,-3.2 47,-2.9 45,-0.0 2,-0.3 -0.738 58.5-113.7-143.1-168.2 36.4 6.2 19.9 105 128 A D E > -H 150 0C 6 45,-0.3 4,-1.7 -2,-0.2 45,-0.2 -0.808 36.2-106.5-127.1 167.2 35.5 5.0 16.4 106 129 A L H > S+ 0 0 0 43,-1.6 4,-2.3 40,-1.3 41,-0.2 0.823 117.4 57.1 -67.9 -29.7 37.6 3.5 13.7 107 130 A Y H > S+ 0 0 113 39,-1.2 4,-1.2 2,-0.2 -1,-0.2 0.920 107.8 44.9 -67.9 -42.8 37.6 6.7 11.7 108 131 A K H > S+ 0 0 102 1,-0.2 4,-0.9 38,-0.2 -1,-0.2 0.884 114.4 51.7 -67.3 -37.8 39.1 8.8 14.5 109 132 A L H >X S+ 0 0 22 -4,-1.7 4,-2.5 1,-0.2 3,-0.7 0.908 106.4 51.6 -65.4 -44.5 41.6 6.1 15.2 110 133 A L H 3< S+ 0 0 9 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.786 108.8 52.8 -63.4 -28.9 42.8 5.8 11.5 111 134 A K H 3< S+ 0 0 157 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.696 114.7 41.6 -79.6 -20.4 43.3 9.6 11.5 112 135 A S H << S+ 0 0 98 -4,-0.9 2,-0.3 -3,-0.7 -2,-0.2 0.794 118.8 15.2 -97.7 -35.2 45.5 9.5 14.6 113 136 A Q < - 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0 0 5 -5,-1.6 -22,-0.2 -22,-0.2 -17,-0.1 -0.975 45.0-165.1-137.4 145.7 21.7 -3.0 -7.6 197 220 A K - 0 0 61 -24,-2.0 -23,-0.1 -2,-0.4 -1,-0.1 0.418 57.3-114.0 -95.0 -2.9 19.6 -1.7 -4.7 198 221 A G + 0 0 2 -25,-0.3 -2,-0.1 -7,-0.1 -24,-0.1 0.968 67.5 144.1 68.2 53.0 22.1 -3.3 -2.3 199 222 A Y + 0 0 29 -26,-0.1 2,-0.3 -30,-0.1 -27,-0.1 -0.245 47.5 75.5-114.6 40.7 19.7 -5.9 -0.9 200 223 A T S > S- 0 0 28 -32,-0.1 3,-2.6 -30,-0.1 4,-0.5 -0.992 88.9-108.7-151.2 147.2 22.1 -8.8 -0.4 201 224 A K T >> S+ 0 0 74 -2,-0.3 4,-1.5 1,-0.3 3,-0.6 0.693 109.6 76.2 -47.4 -23.4 24.9 -9.7 2.0 202 225 A S H 3> S+ 0 0 20 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.854 85.7 62.4 -61.0 -31.3 27.4 -9.0 -0.8 203 226 A I H <> S+ 0 0 10 -3,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.892 104.2 47.5 -61.1 -39.2 26.9 -5.2 -0.3 204 227 A D H <> S+ 0 0 0 -3,-0.6 4,-2.1 -4,-0.5 -1,-0.2 0.860 106.6 57.0 -71.3 -32.8 28.2 -5.6 3.3 205 228 A I H X S+ 0 0 4 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.911 105.0 51.6 -64.5 -41.2 31.2 -7.6 2.2 206 229 A W H >X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 3,-0.6 0.969 107.7 51.2 -60.6 -52.9 32.4 -4.8 -0.2 207 230 A S H >X S+ 0 0 4 -4,-1.5 4,-2.4 1,-0.3 3,-0.6 0.940 110.6 48.5 -48.6 -53.9 32.2 -2.1 2.5 208 231 A V H 3X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.3 -1,-0.3 0.824 106.6 59.1 -57.2 -30.3 34.3 -4.2 4.9 209 232 A G H X>S+ 0 0 9 -4,-2.2 4,-3.1 1,-0.2 3,-0.7 0.916 106.3 47.8 -63.5 -44.9 41.6 1.7 4.8 215 238 A M H 3<5S+ 0 0 2 -4,-2.5 -100,-0.4 1,-0.2 -1,-0.2 0.739 111.2 56.2 -68.1 -20.6 43.1 0.2 8.0 216 239 A L H 3<5S+ 0 0 19 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.729 125.9 15.2 -82.4 -21.3 46.0 -0.9 5.7 217 240 A S H <<5S- 0 0 36 -4,-1.1 -2,-0.2 -3,-0.7 -3,-0.2 0.447 91.1-122.3-131.4 -4.7 46.7 2.6 4.4 218 241 A N T <5S+ 0 0 50 -4,-3.1 -3,-0.1 -5,-0.2 -4,-0.1 0.854 85.5 83.8 63.1 33.1 45.0 5.2 6.7 219 242 A R S S- 0 0 89 1,-0.3 4,-1.7 -41,-0.1 3,-0.3 -0.346 92.2 -92.7 121.1 89.4 31.0 12.7 -7.0 227 250 A Y T 4 S+ 0 0 49 1,-0.2 2,-2.7 2,-0.2 -1,-0.3 -0.250 116.6 24.0 -61.1 159.8 28.6 9.8 -7.6 228 251 A L T > S+ 0 0 48 1,-0.2 4,-2.1 -3,-0.1 -1,-0.2 -0.121 111.0 73.7 75.3 -50.9 29.7 7.9 -10.7 229 252 A D H > S+ 0 0 23 -2,-2.7 4,-2.5 -3,-0.3 -1,-0.2 0.926 92.8 57.5 -58.3 -39.6 33.2 9.2 -10.1 230 253 A Q H X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.3 -1,-0.3 0.909 103.4 51.3 -53.8 -45.7 32.9 6.6 -7.3 231 254 A L H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.867 111.5 47.7 -61.7 -36.5 32.2 4.0 -10.0 232 255 A N H X S+ 0 0 48 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.809 105.2 57.4 -76.0 -30.3 35.3 5.2 -11.9 233 256 A H H X S+ 0 0 65 -4,-2.5 4,-0.7 2,-0.2 -1,-0.2 0.882 108.3 49.3 -66.4 -36.4 37.6 5.1 -8.8 234 257 A I H >X S+ 0 0 0 -4,-1.6 4,-2.8 -5,-0.2 3,-1.6 0.963 109.2 48.3 -66.1 -54.3 36.7 1.5 -8.4 235 258 A L H 3X S+ 0 0 5 -4,-1.7 4,-2.0 1,-0.3 -1,-0.2 0.791 101.7 68.5 -58.2 -26.6 37.4 0.5 -12.0 236 259 A G H 3< S+ 0 0 26 -4,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.858 114.0 26.3 -61.3 -33.8 40.7 2.4 -11.6 237 260 A I H << S+ 0 0 19 -3,-1.6 30,-2.5 -4,-0.7 -2,-0.2 0.865 124.6 47.3 -95.8 -43.1 41.9 -0.3 -9.2 238 261 A L H < S- 0 0 18 -4,-2.8 28,-0.3 28,-0.2 -3,-0.2 0.699 101.4-137.5 -70.9 -22.9 39.9 -3.4 -10.3 239 262 A G < - 0 0 3 -4,-2.0 26,-0.3 -5,-0.3 -1,-0.1 -0.069 48.0 -31.9 81.8 167.6 40.7 -2.8 -13.9 240 263 A S S S- 0 0 52 24,-4.3 26,-0.1 1,-0.1 23,-0.1 -0.322 79.6 -99.4 -59.6 136.2 38.1 -3.2 -16.7 241 264 A P - 0 0 33 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.134 38.4-106.0 -55.9 148.8 35.4 -5.9 -16.0 242 265 A S > - 0 0 47 -3,-0.1 4,-1.7 4,-0.1 -3,-0.0 -0.439 32.9-107.3 -77.1 152.7 35.8 -9.4 -17.5 243 266 A Q T >4 S+ 0 0 127 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.929 118.7 27.3 -41.5 -80.3 33.5 -10.3 -20.3 244 267 A E T 34 S+ 0 0 97 1,-0.3 -1,-0.3 2,-0.1 5,-0.1 0.753 112.1 75.9 -58.3 -21.5 31.1 -12.8 -18.6 245 268 A D T 34 S+ 0 0 13 1,-0.1 -1,-0.3 2,-0.1 3,-0.2 0.876 99.2 42.2 -57.8 -38.9 31.9 -10.8 -15.5 246 269 A L S << S+ 0 0 26 -3,-1.9 -2,-0.1 -4,-1.7 -1,-0.1 0.824 96.5 83.4 -33.0 -87.9 29.7 -8.0 -16.8 247 270 A N + 0 0 44 1,-0.5 -1,-0.2 2,-0.3 -2,-0.1 -0.968 52.4 80.4 167.0 12.4 27.3 -9.7 -17.8 248 271 A C S S+ 0 0 74 -3,-0.2 -1,-0.5 -2,-0.1 2,-0.4 -0.898 89.1 100.0 65.9 -21.7 25.4 -10.4 -15.6 249 272 A I + 0 0 7 1,-0.1 -2,-0.3 -5,-0.1 -3,-0.1 -0.816 28.8 146.3-134.4 91.8 25.0 -6.9 -17.0 250 273 A I + 0 0 147 -2,-0.4 2,-0.6 -4,-0.1 -1,-0.1 0.365 32.8 122.3-106.3 2.6 22.1 -6.6 -19.4 251 274 A N > - 0 0 25 1,-0.2 4,-3.3 -3,-0.1 5,-0.4 -0.556 62.3-139.5 -68.0 114.3 21.1 -3.1 -18.4 252 275 A M H > S+ 0 0 136 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.905 97.7 35.6 -37.7 -71.3 21.4 -1.1 -21.7 253 276 A K H > S+ 0 0 141 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.899 118.1 50.7 -54.6 -47.8 22.9 2.0 -20.2 254 277 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.961 113.4 45.6 -57.2 -51.5 25.1 0.2 -17.6 255 278 A R H X S+ 0 0 86 -4,-3.3 4,-1.7 1,-0.2 -1,-0.2 0.840 116.4 46.2 -61.0 -35.3 26.5 -2.2 -20.2 256 279 A N H X S+ 0 0 73 -4,-2.3 4,-2.0 -5,-0.4 -1,-0.2 0.876 109.6 53.0 -76.5 -37.6 27.1 0.7 -22.6 257 280 A Y H >X S+ 0 0 42 -4,-3.2 3,-1.0 2,-0.2 4,-0.6 0.993 112.4 44.8 -57.8 -60.5 28.7 3.0 -20.0 258 281 A L H >< S+ 0 0 18 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.893 111.1 55.4 -48.5 -45.2 31.2 0.3 -19.0 259 282 A Q H 3< S+ 0 0 147 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.839 104.1 53.5 -59.3 -35.4 31.7 -0.4 -22.7 260 283 A S H << S+ 0 0 85 -4,-2.0 -1,-0.3 -3,-1.0 -2,-0.2 0.506 86.9 104.1 -79.3 -5.2 32.7 3.2 -23.4 261 284 A L S << S- 0 0 46 -3,-1.5 3,-0.1 -4,-0.6 -21,-0.0 -0.658 83.0-108.3 -83.3 130.6 35.3 3.2 -20.6 262 285 A P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.310 47.4 -93.0 -55.7 131.8 38.9 3.0 -21.8 263 286 A S - 0 0 118 -4,-0.1 2,-0.4 -24,-0.1 -24,-0.0 -0.140 48.0-172.0 -48.0 137.7 40.4 -0.4 -21.0 264 287 A K - 0 0 83 -3,-0.1 -24,-4.3 -23,-0.1 2,-0.2 -0.992 15.7-136.7-141.4 129.1 42.2 -0.5 -17.7 265 288 A T - 0 0 130 -2,-0.4 -26,-0.3 -26,-0.3 2,-0.0 -0.561 35.1 -96.3 -83.7 148.1 44.3 -3.4 -16.3 266 289 A K - 0 0 86 -28,-0.3 2,-0.7 -2,-0.2 -28,-0.2 -0.323 32.6-128.3 -64.8 143.6 43.9 -4.4 -12.6 267 290 A V - 0 0 52 -30,-2.5 5,-0.2 -3,-0.1 4,-0.1 -0.850 26.2-118.2 -97.7 113.1 46.4 -2.9 -10.2 268 291 A A >> - 0 0 57 -2,-0.7 3,-1.7 1,-0.1 4,-1.4 -0.224 16.0-137.7 -49.9 129.5 48.1 -5.6 -8.1 269 292 A W H 3> S+ 0 0 18 1,-0.3 4,-1.8 2,-0.2 3,-0.3 0.925 104.5 59.9 -55.7 -51.2 47.2 -5.1 -4.4 270 293 A A H 34 S+ 0 0 64 1,-0.3 -1,-0.3 2,-0.2 5,-0.2 0.549 107.7 52.0 -56.5 -3.9 50.8 -5.8 -3.3 271 294 A K H <4 S+ 0 0 149 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.823 112.4 38.4 -98.7 -45.2 51.5 -2.8 -5.5 272 295 A L H < S+ 0 0 53 -4,-1.4 -2,-0.2 -3,-0.3 -3,-0.1 0.467 129.5 38.5 -83.5 -2.5 49.0 -0.3 -4.1 273 296 A F S >< S+ 0 0 16 -4,-1.8 3,-0.7 -5,-0.2 2,-0.3 -0.444 76.3 178.5-146.9 66.0 49.9 -1.7 -0.7 274 297 A P T 3 S+ 0 0 87 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.552 71.6 27.1 -73.2 131.2 53.6 -2.5 -0.4 275 298 A K T 3 S+ 0 0 195 1,-0.3 2,-0.4 -2,-0.3 -5,-0.0 0.804 90.3 124.6 87.3 32.7 54.6 -3.8 3.0 276 299 A S S < S- 0 0 29 -3,-0.7 -1,-0.3 -6,-0.1 5,-0.1 -0.957 72.5 -88.0-123.8 141.8 51.2 -5.3 4.0 277 300 A D > - 0 0 53 -2,-0.4 4,-2.1 1,-0.1 5,-0.1 -0.165 29.1-141.1 -48.3 132.8 50.7 -9.0 5.0 278 301 A S H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.867 101.9 57.6 -66.7 -36.0 50.0 -11.2 2.0 279 302 A K H > S+ 0 0 98 1,-0.2 4,-1.6 2,-0.2 27,-0.3 0.921 109.9 44.3 -59.8 -43.9 47.4 -13.2 3.9 280 303 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.872 111.5 53.6 -67.5 -38.8 45.5 -9.9 4.5 281 304 A L H X S+ 0 0 12 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.859 106.4 52.7 -65.8 -33.9 45.9 -8.8 1.0 282 305 A D H X S+ 0 0 63 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.897 110.0 47.7 -69.1 -38.8 44.5 -12.1 -0.3 283 306 A L H >X S+ 0 0 0 -4,-1.6 4,-0.7 2,-0.2 3,-0.6 0.965 110.1 52.2 -65.0 -49.3 41.4 -11.7 1.8 284 307 A L H >X S+ 0 0 0 -4,-2.5 3,-3.9 1,-0.3 4,-2.3 0.963 105.9 54.9 -48.1 -60.9 40.9 -8.1 0.7 285 308 A D H 3< S+ 0 0 53 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.814 108.3 49.2 -41.3 -41.7 41.1 -9.3 -3.0 286 309 A R H << S+ 0 0 113 -4,-1.5 10,-2.3 -3,-0.6 -1,-0.3 0.531 112.0 49.2 -79.0 -7.5 38.3 -11.7 -2.2 287 310 A M H << S+ 0 0 1 -3,-3.9 2,-0.5 -4,-0.7 -78,-0.2 0.730 107.5 54.4 -99.8 -30.6 36.2 -8.9 -0.6 288 311 A L S < S+ 0 0 1 -4,-2.3 2,-0.3 -5,-0.2 -1,-0.2 -0.346 72.1 146.4-102.5 54.7 36.7 -6.5 -3.4 289 312 A T - 0 0 28 -2,-0.5 6,-0.1 -3,-0.3 -3,-0.1 -0.652 51.6-134.1 -88.1 144.8 35.5 -8.4 -6.4 290 313 A F S S+ 0 0 25 -2,-0.3 -99,-0.2 -52,-0.1 -1,-0.1 0.872 93.4 66.1 -64.3 -36.2 33.7 -6.6 -9.2 291 314 A N S >> S- 0 0 5 1,-0.1 3,-1.2 -101,-0.1 4,-0.6 -0.796 71.0-153.5 -94.7 122.5 31.0 -9.3 -9.3 292 315 A P T 34 S+ 0 0 36 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.728 96.0 61.1 -61.4 -25.5 28.8 -9.6 -6.2 293 316 A N T 34 S+ 0 0 129 1,-0.2 -3,-0.0 -3,-0.0 -2,-0.0 0.745 107.4 43.8 -75.3 -23.5 28.2 -13.3 -7.0 294 317 A K T <4 S+ 0 0 108 -3,-1.2 -1,-0.2 2,-0.1 2,-0.1 0.492 87.7 117.2 -97.7 -7.4 32.0 -14.0 -6.7 295 318 A R S < S- 0 0 14 -4,-0.6 -8,-0.2 -3,-0.2 -9,-0.1 -0.392 73.2-106.3 -65.6 139.2 32.4 -12.0 -3.5 296 319 A I - 0 0 10 -10,-2.3 -1,-0.1 -13,-0.2 -2,-0.1 -0.335 33.5-120.2 -66.0 142.1 33.5 -14.0 -0.5 297 320 A T > - 0 0 68 1,-0.1 4,-1.6 -2,-0.1 5,-0.1 -0.311 23.2-109.1 -79.8 166.5 30.9 -14.7 2.2 298 321 A V H > S+ 0 0 16 1,-0.2 4,-1.4 2,-0.2 -166,-0.2 0.838 118.1 50.1 -64.7 -32.7 31.2 -13.5 5.8 299 322 A E H > S+ 0 0 66 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.890 109.6 46.2 -74.2 -42.3 31.7 -17.1 6.9 300 323 A E H 4 S+ 0 0 94 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.826 110.2 58.3 -70.4 -25.7 34.5 -18.0 4.5 301 324 A A H >< S+ 0 0 0 -4,-1.6 3,-1.4 1,-0.2 6,-0.2 0.909 105.4 46.8 -67.5 -44.2 36.1 -14.7 5.3 302 325 A L H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.839 110.5 54.6 -66.9 -31.4 36.4 -15.6 9.0 303 326 A A T 3< S+ 0 0 38 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.457 85.1 117.3 -80.7 -0.3 37.7 -19.0 7.9 304 327 A H S X S- 0 0 14 -3,-1.4 3,-2.9 1,-0.1 4,-0.3 -0.515 77.8-118.2 -73.0 136.5 40.4 -17.2 5.9 305 328 A P G > S+ 0 0 61 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.653 108.9 69.2 -43.3 -29.5 44.0 -17.8 7.0 306 329 A Y G 3 S+ 0 0 3 -27,-0.3 3,-0.2 1,-0.2 -26,-0.1 0.734 107.2 39.3 -68.1 -19.3 44.7 -14.2 7.9 307 330 A L G X> S+ 0 0 0 -3,-2.9 4,-3.1 -6,-0.2 3,-2.8 0.353 79.9 115.6-109.3 4.5 42.2 -14.6 10.8 308 331 A E T <4 S+ 0 0 98 -3,-0.9 -1,-0.1 -4,-0.3 -2,-0.1 0.655 71.4 60.5 -48.0 -20.9 43.4 -18.1 11.7 309 332 A Q T 34 S+ 0 0 118 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.742 119.3 25.9 -81.0 -23.4 44.6 -16.8 15.1 310 333 A Y T <4 S+ 0 0 66 -3,-2.8 -2,-0.2 -8,-0.1 -1,-0.1 0.700 88.8 117.4-108.0 -30.9 41.1 -15.7 16.1 311 334 A Y < + 0 0 67 -4,-3.1 -8,-0.1 -9,-0.2 5,-0.0 -0.134 29.3 154.1 -44.3 123.8 38.9 -18.0 14.0 312 335 A D > - 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0 0 32 0, 0.0 3,-1.6 0, 0.0 4,-1.4 -0.483 27.5-114.4 -70.5 141.9 27.9 -22.8 39.1 687 357 B K H 3> S+ 0 0 95 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.757 115.1 70.9 -46.1 -26.6 25.3 -24.2 41.5 688 358 B E H 3> S+ 0 0 123 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.945 102.5 40.0 -57.7 -49.4 28.2 -24.4 44.0 689 359 B R H <> S+ 0 0 122 -3,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.772 111.0 58.5 -71.5 -26.8 28.2 -20.6 44.3 690 360 B L H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.933 106.1 49.7 -67.2 -43.1 24.4 -20.5 44.3 691 361 B K H X S+ 0 0 24 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.929 107.9 52.0 -59.6 -48.7 24.4 -22.7 47.3 692 362 B E H X S+ 0 0 86 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.885 110.7 49.7 -56.6 -39.7 26.9 -20.5 49.2 693 363 B L H X S+ 0 0 50 -4,-1.8 4,-3.0 2,-0.2 -1,-0.2 0.915 112.3 47.0 -65.5 -42.1 24.7 -17.5 48.4 694 364 B I H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.896 109.3 53.4 -65.2 -41.5 21.6 -19.4 49.7 695 365 B F H < S+ 0 0 39 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.814 114.5 44.6 -63.4 -29.2 23.5 -20.5 52.8 696 366 B Q H >< S+ 0 0 123 -4,-1.4 3,-1.7 -5,-0.3 4,-0.4 0.919 107.7 53.8 -80.7 -48.6 24.3 -16.8 53.3 697 367 B E H >< S+ 0 0 25 -4,-3.0 3,-0.5 1,-0.3 -2,-0.2 0.902 114.1 43.7 -53.4 -43.7 20.9 -15.3 52.7 698 368 B T G >< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 4,-0.4 0.406 88.1 99.1 -83.4 2.0 19.4 -17.6 55.2 699 369 B A G X S+ 0 0 47 -3,-1.7 3,-1.7 1,-0.3 -1,-0.2 0.862 70.9 61.0 -56.7 -44.1 22.2 -17.0 57.7 700 370 B R G < S+ 0 0 161 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.504 101.0 57.6 -64.8 -4.7 20.4 -14.4 59.9 701 371 B F G < S+ 0 0 39 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.577 76.7 110.0-100.2 -13.9 17.8 -17.0 60.7 702 372 B Q < - 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