==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-MAR-07 2P33 . COMPND 2 MOLECULE: C-JUN N-TERMINAL KINASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.A.CESKA,A.PLATT,M.FORTUNATO,K.M.DICKSON,A.SHARPE . 332 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16773.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 61.1 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 . 47 14.2 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 . 1 0.3 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-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 . 15 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 30.1 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 4 1 1 0 1 0 1 0 1 0 0 1 1 1 0 1 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 . 1 1 1 1 1 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 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 45 A D 0 0 208 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-123.5 21.0 10.3 62.9 2 46 A N - 0 0 82 1,-0.1 16,-0.0 2,-0.1 3,-0.0 -0.026 360.0-135.8 -57.4 167.8 21.1 12.4 59.7 3 47 A Q S S+ 0 0 124 85,-0.1 15,-2.6 14,-0.0 2,-0.3 0.564 80.0 59.9-104.1 -12.8 19.4 11.1 56.6 4 48 A F E -A 17 0A 18 13,-0.3 2,-0.3 84,-0.1 13,-0.2 -0.738 57.0-168.1-116.4 163.3 22.2 11.9 54.1 5 49 A Y E -A 16 0A 71 11,-2.4 11,-1.5 -2,-0.3 2,-0.4 -0.968 20.6-122.7-144.2 154.8 25.8 10.8 53.6 6 50 A S E +A 15 0A 76 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.842 23.9 178.9-108.4 141.8 28.5 12.2 51.4 7 51 A V E -A 14 0A 41 7,-1.1 7,-2.6 -2,-0.4 2,-0.3 -1.000 28.7-120.0-139.1 136.7 30.6 10.3 48.8 8 52 A E E +A 13 0A 155 -2,-0.4 5,-0.2 5,-0.2 3,-0.1 -0.583 27.6 176.1 -79.3 136.4 33.3 11.6 46.5 9 53 A V - 0 0 19 3,-2.3 2,-0.8 -2,-0.3 3,-0.1 -0.468 62.3 -66.2-137.8 61.6 32.7 11.3 42.8 10 54 A G S S- 0 0 48 1,-0.2 -2,-0.0 15,-0.0 3,-0.0 -0.812 115.4 -7.7 100.6-106.2 35.6 13.0 41.0 11 55 A D S S+ 0 0 176 -2,-0.8 2,-0.3 -3,-0.1 -1,-0.2 0.185 127.9 59.0-113.4 12.5 35.8 16.7 41.5 12 56 A S S S- 0 0 20 -3,-0.1 -3,-2.3 -5,-0.0 2,-0.5 -0.900 74.7-123.0-137.8 166.4 32.4 16.9 43.3 13 57 A T E -A 8 0A 74 -2,-0.3 2,-0.9 -5,-0.2 -5,-0.2 -0.953 12.9-153.5-117.1 128.1 30.7 15.6 46.4 14 58 A F E -A 7 0A 0 -7,-2.6 2,-1.2 -2,-0.5 -7,-1.1 -0.829 10.8-174.2-100.3 98.6 27.4 13.7 46.2 15 59 A T E +A 6 0A 32 -2,-0.9 -9,-0.2 -9,-0.2 2,-0.2 -0.775 26.2 158.9 -94.5 96.8 25.5 14.2 49.4 16 60 A V E -A 5 0A 0 -11,-1.5 -11,-2.4 -2,-1.2 2,-0.1 -0.618 45.0 -77.1-116.3 173.5 22.5 11.9 49.0 17 61 A L E > -A 4 0A 28 -13,-0.2 3,-2.2 -2,-0.2 -13,-0.3 -0.395 42.4-116.8 -67.5 145.3 19.9 10.0 51.0 18 62 A K T 3 S+ 0 0 101 -15,-2.6 22,-0.2 1,-0.3 -1,-0.1 0.741 109.2 73.7 -54.7 -27.3 21.1 6.8 52.7 19 63 A R T 3 S+ 0 0 64 -16,-0.2 21,-2.5 20,-0.1 2,-0.6 0.716 86.7 72.5 -61.6 -21.3 18.6 4.8 50.6 20 64 A Y E < +B 39 0B 1 -3,-2.2 2,-0.3 19,-0.2 19,-0.2 -0.868 69.5 171.7-100.4 120.6 20.9 5.3 47.6 21 65 A Q E +B 38 0B 89 17,-2.6 17,-2.5 -2,-0.6 -2,-0.0 -0.894 45.4 31.6-131.3 159.8 24.1 3.3 47.8 22 66 A N E S- 0 0 126 -2,-0.3 -1,-0.2 15,-0.2 2,-0.1 0.965 73.7-155.8 62.2 57.5 27.1 2.3 45.7 23 67 A L E + 0 0 24 -3,-0.2 14,-0.2 14,-0.1 -1,-0.1 -0.368 16.8 177.5 -63.8 140.4 27.3 5.6 43.7 24 68 A K E -B 36 0B 120 12,-2.1 12,-4.2 -2,-0.1 2,-0.2 -0.947 31.4-116.5-151.5 123.8 28.9 5.3 40.3 25 69 A P E +B 35 0B 82 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.394 34.0 168.9 -61.2 124.1 29.4 8.0 37.6 26 70 A I E - 0 0 84 8,-2.2 2,-0.3 1,-0.3 9,-0.2 0.611 59.9 -17.8-111.1 -20.6 27.6 7.2 34.4 27 71 A G E -B 34 0B 36 7,-1.4 7,-2.3 9,-0.0 2,-0.3 -0.993 49.2-129.3-173.7 172.9 27.9 10.4 32.5 28 72 A S E +B 33 0B 101 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.983 29.8 155.0-137.1 146.1 28.5 14.2 32.4 29 73 A G - 0 0 50 3,-2.2 -2,-0.0 -2,-0.3 5,-0.0 -0.605 55.4 -73.0-145.3-153.9 26.6 17.0 30.9 30 74 A A S S+ 0 0 85 -2,-0.2 3,-0.1 1,-0.1 145,-0.1 0.880 123.8 47.3 -82.2 -43.4 25.8 20.7 31.0 31 75 A Q S S- 0 0 30 1,-0.2 21,-0.7 20,-0.1 2,-0.3 0.853 121.6 -87.6 -68.3 -37.4 23.8 20.7 34.3 32 76 A G E - C 0 51B 12 19,-0.1 -3,-2.2 2,-0.0 2,-0.3 -0.950 62.4 -22.2 168.0-145.1 26.2 18.6 36.1 33 77 A I E -BC 28 50B 42 17,-0.5 17,-1.9 -2,-0.3 2,-0.4 -0.782 46.1-153.6-104.0 146.5 27.4 15.1 37.0 34 78 A V E -BC 27 49B 34 -7,-2.3 -8,-2.2 -2,-0.3 -7,-1.4 -0.966 11.5-171.9-122.5 136.8 25.2 12.0 36.8 35 79 A C E -BC 25 48B 0 13,-2.5 13,-3.2 -2,-0.4 2,-0.3 -0.892 19.7-133.4-125.4 157.3 25.6 8.8 38.9 36 80 A A E +BC 24 47B 9 -12,-4.2 -12,-2.1 -2,-0.3 2,-0.3 -0.814 36.1 166.6-102.5 147.8 24.1 5.4 38.9 37 81 A A E - C 0 46B 5 9,-2.6 9,-3.0 -2,-0.3 2,-0.4 -0.961 36.2-110.7-154.3 166.8 23.0 4.0 42.3 38 82 A Y E -BC 21 45B 69 -17,-2.5 -17,-2.6 -2,-0.3 2,-0.8 -0.914 23.4-147.2-103.4 128.8 21.0 1.3 44.1 39 83 A D E >> -BC 20 44B 1 5,-3.0 4,-2.3 -2,-0.4 5,-0.8 -0.872 7.3-167.4-102.4 102.0 17.9 2.2 45.9 40 84 A A T 45S+ 0 0 50 -21,-2.5 -1,-0.2 -2,-0.8 -20,-0.1 0.810 86.1 54.3 -54.8 -34.6 17.4 0.0 48.9 41 85 A V T 45S+ 0 0 98 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.0 0.987 121.2 26.0 -65.7 -60.8 13.8 1.2 49.4 42 86 A L T 45S- 0 0 73 2,-0.1 -2,-0.2 -23,-0.1 -1,-0.2 0.587 102.2-133.8 -78.7 -12.5 12.5 0.5 45.9 43 87 A D T <5 + 0 0 108 -4,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.989 67.9 94.4 53.7 71.1 15.1 -2.3 45.4 44 88 A R E S- 0 0 99 43,-0.9 3,-2.0 -2,-0.8 -1,-0.3 0.935 72.1-172.5 39.8 65.1 23.7 25.9 42.7 54 98 A P G > S+ 0 0 4 0, 0.0 3,-0.6 0, 0.0 10,-0.2 0.681 78.2 63.9 -60.6 -16.7 21.2 26.0 39.8 55 99 A F G 3 + 0 0 5 41,-0.3 270,-0.2 1,-0.2 269,-0.2 0.358 67.2 104.7 -91.9 9.8 20.3 29.5 40.7 56 100 A Q G < S- 0 0 104 -3,-2.0 2,-0.3 -4,-0.2 -1,-0.2 0.713 95.4 -1.0 -62.4 -20.7 23.8 30.8 40.0 57 101 A N S <> S- 0 0 40 -3,-0.6 4,-2.7 -4,-0.1 5,-0.2 -0.982 74.4-105.4-163.2 159.3 22.5 32.4 36.8 58 102 A Q H > S+ 0 0 69 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.810 115.2 58.8 -59.3 -30.5 19.3 32.7 34.7 59 103 A T H > S+ 0 0 42 111,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.961 115.0 33.3 -64.6 -52.3 20.6 30.2 32.2 60 104 A H H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.834 120.5 52.2 -72.2 -32.8 21.0 27.4 34.7 61 105 A A H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.954 107.2 49.6 -68.5 -50.8 18.0 28.5 36.7 62 106 A K H X S+ 0 0 57 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.901 114.2 46.8 -54.7 -43.9 15.5 28.6 33.9 63 107 A R H X S+ 0 0 69 -4,-1.4 4,-2.4 -5,-0.3 -1,-0.2 0.921 113.8 48.5 -65.7 -44.1 16.6 25.1 32.8 64 108 A A H X S+ 0 0 3 -4,-2.1 4,-3.1 -10,-0.2 -2,-0.2 0.923 114.5 43.0 -64.8 -46.1 16.4 23.8 36.4 65 109 A Y H X S+ 0 0 52 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.966 116.6 47.8 -63.8 -51.1 13.0 25.2 37.2 66 110 A R H X S+ 0 0 43 -4,-2.2 4,-1.9 -5,-0.3 5,-0.3 0.874 115.6 46.3 -57.1 -39.2 11.6 24.2 33.9 67 111 A E H X S+ 0 0 15 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.957 112.2 48.7 -69.1 -49.1 13.0 20.8 34.3 68 112 A L H X S+ 0 0 3 -4,-3.1 4,-0.6 -5,-0.2 -2,-0.2 0.843 115.2 46.0 -59.7 -37.1 11.8 20.3 37.8 69 113 A V H >X S+ 0 0 33 -4,-2.7 4,-2.0 -5,-0.2 3,-1.3 0.991 116.7 38.9 -71.8 -62.7 8.3 21.4 36.9 70 114 A L H 3X S+ 0 0 31 -4,-1.9 4,-0.8 1,-0.3 -2,-0.2 0.863 109.2 62.6 -57.1 -38.5 7.6 19.4 33.7 71 115 A M H 3< S+ 0 0 13 -4,-2.4 11,-0.6 -5,-0.3 -1,-0.3 0.827 110.8 41.4 -55.8 -30.4 9.4 16.4 35.1 72 116 A K H << S+ 0 0 64 -3,-1.3 -2,-0.2 -4,-0.6 -1,-0.2 0.839 123.2 37.1 -85.7 -37.1 6.7 16.4 37.8 73 117 A C H < S+ 0 0 97 -4,-2.0 -3,-0.2 -5,-0.1 -2,-0.2 0.980 100.8 68.5 -77.8 -76.4 3.8 17.2 35.4 74 118 A V < - 0 0 25 -4,-0.8 2,-0.3 65,-0.0 62,-0.0 -0.044 59.9-175.3 -46.4 145.5 4.3 15.4 32.1 75 119 A N + 0 0 131 6,-0.1 2,-0.3 60,-0.0 5,-0.1 -0.937 18.0 136.3-151.3 121.9 4.0 11.6 32.2 76 120 A H B > -F 79 0C 48 3,-0.5 3,-1.8 -2,-0.3 56,-0.0 -0.949 57.2-117.9-164.8 145.9 4.7 9.2 29.3 77 121 A K T 3 S+ 0 0 111 -2,-0.3 4,-0.1 1,-0.3 82,-0.0 0.700 115.7 52.0 -63.6 -16.8 6.5 5.9 28.8 78 122 A N T 3 S+ 0 0 2 82,-0.1 83,-2.1 2,-0.1 2,-0.4 0.120 97.6 73.6-106.9 20.8 8.9 7.6 26.3 79 123 A I B < S-Fg 76 161C 6 -3,-1.8 -3,-0.5 81,-0.3 83,-0.2 -0.972 95.8-103.1-135.7 117.8 9.9 10.5 28.6 80 124 A I - 0 0 11 81,-2.2 2,-0.4 -2,-0.4 -2,-0.1 -0.016 40.2-133.9 -39.0 132.1 12.3 9.8 31.5 81 125 A S - 0 0 45 -4,-0.1 22,-1.2 -6,-0.1 2,-0.4 -0.795 6.3-128.1-101.8 140.0 10.3 9.7 34.7 82 126 A L E -E 102 0B 36 -11,-0.6 20,-0.3 -2,-0.4 3,-0.1 -0.715 22.5-178.5 -82.3 125.9 11.3 11.4 38.0 83 127 A L E - 0 0 57 18,-3.0 2,-0.3 -2,-0.4 19,-0.2 0.724 64.5 -15.0 -97.5 -25.9 11.3 9.0 41.0 84 128 A N E -E 101 0B 44 17,-1.5 17,-2.6 2,-0.0 -1,-0.4 -0.970 51.9-152.3-172.2 156.9 12.3 11.5 43.7 85 129 A V E +E 100 0B 22 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.996 25.8 155.4-138.9 139.6 13.8 14.9 44.3 86 130 A F E -E 99 0B 12 13,-1.9 13,-3.1 -2,-0.3 247,-0.1 -0.990 30.0-148.4-159.6 169.7 15.7 16.2 47.3 87 131 A T - 0 0 8 -2,-0.3 11,-0.1 11,-0.2 -71,-0.1 -0.964 15.7-146.6-144.5 124.0 18.2 18.6 48.8 88 132 A P S S+ 0 0 15 0, 0.0 2,-0.2 0, 0.0 -84,-0.1 0.646 77.2 95.0 -64.2 -13.7 20.6 17.7 51.7 89 133 A Q - 0 0 38 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.509 65.6-151.2 -79.8 151.2 20.2 21.3 52.9 90 134 A K + 0 0 113 -2,-0.2 2,-0.3 1,-0.0 -1,-0.1 0.758 69.1 29.6 -94.0 -28.5 17.7 22.1 55.6 91 135 A T S > S- 0 0 50 1,-0.1 4,-1.9 0, 0.0 -1,-0.0 -0.840 77.8-109.8-130.7 168.1 16.7 25.8 54.9 92 136 A L T 4 S+ 0 0 43 -2,-0.3 -1,-0.1 2,-0.2 237,-0.1 0.878 119.3 52.6 -63.9 -38.7 16.4 28.2 52.0 93 137 A E T 4 S+ 0 0 156 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.913 115.5 40.5 -64.4 -40.3 19.4 30.2 53.3 94 138 A E T 4 S+ 0 0 107 2,-0.0 -1,-0.2 0, 0.0 -2,-0.2 0.722 88.8 128.0 -78.8 -21.3 21.4 27.0 53.4 95 139 A F < + 0 0 1 -4,-1.9 3,-0.1 1,-0.1 -3,-0.1 0.016 18.0 139.4 -39.9 131.0 20.0 25.8 50.1 96 140 A Q + 0 0 76 1,-0.4 -43,-0.9 -45,-0.0 2,-0.3 0.464 52.4 28.3-140.3 -63.1 22.6 24.8 47.6 97 141 A D E -D 52 0B 23 -45,-0.2 -1,-0.4 -44,-0.2 2,-0.4 -0.760 52.1-150.7-116.5 160.4 22.1 21.8 45.5 98 142 A V E -D 51 0B 2 -47,-1.8 -47,-3.0 -2,-0.3 2,-0.5 -0.996 11.9-155.2-128.0 124.4 19.2 19.8 44.0 99 143 A Y E -DE 50 86B 1 -13,-3.1 -13,-1.9 -2,-0.4 2,-0.5 -0.880 3.8-160.1-105.2 129.1 19.4 16.1 43.4 100 144 A L E -DE 49 85B 0 -51,-3.4 -51,-3.1 -2,-0.5 2,-0.5 -0.923 4.0-162.9-109.7 126.8 17.1 14.4 40.8 101 145 A V E +DE 48 84B 0 -17,-2.6 -18,-3.0 -2,-0.5 -17,-1.5 -0.907 19.5 160.9-109.1 131.2 16.5 10.7 41.0 102 146 A M E -DE 47 82B 15 -55,-2.5 -55,-3.3 -2,-0.5 -20,-0.2 -0.933 47.5 -71.1-143.9 168.0 15.1 8.8 37.9 103 147 A E E -D 46 0B 24 -22,-1.2 2,-0.5 -2,-0.3 -57,-0.2 -0.277 58.1-114.4 -57.8 148.2 14.8 5.4 36.5 104 148 A L - 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0 0 31 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.227 35.1-151.5 -49.0 119.4 27.0 13.2 11.9 214 262 A L S S+ 0 0 7 -11,-0.3 -1,-0.1 1,-0.2 -33,-0.1 0.925 84.3 25.7 -61.4 -51.0 25.0 14.5 8.8 215 263 A F S S+ 0 0 2 -35,-0.2 -1,-0.2 2,-0.0 12,-0.1 -0.590 76.9 168.9-122.3 74.1 25.6 18.2 9.2 216 264 A P + 0 0 51 0, 0.0 10,-0.2 0, 0.0 2,-0.2 -0.008 11.0 139.1 -70.5-178.8 28.8 19.0 11.2 217 265 A G - 0 0 21 1,-0.1 -38,-0.2 5,-0.1 3,-0.1 -0.568 56.1-115.6 147.5 147.7 30.4 22.4 11.5 218 266 A R S S+ 0 0 215 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 0.886 97.9 1.0 -73.0 -42.4 32.1 24.9 13.8 219 267 A D S > S- 0 0 80 -3,-0.1 4,-2.2 -40,-0.0 3,-0.2 -0.774 90.5 -84.9-136.1 179.5 29.3 27.5 13.6 220 268 A Y H > S+ 0 0 64 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.718 123.6 64.3 -63.4 -19.5 25.9 27.9 12.0 221 269 A I H > S+ 0 0 71 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.974 106.9 39.9 -66.7 -54.3 27.7 29.1 8.9 222 270 A D H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.919 115.0 54.9 -59.0 -45.3 29.5 25.8 8.3 223 271 A Q H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.876 104.4 51.8 -57.8 -44.0 26.3 23.9 9.3 224 272 A W H X S+ 0 0 3 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.908 110.0 49.8 -62.8 -39.8 24.1 25.7 6.8 225 273 A N H X S+ 0 0 31 -4,-1.6 4,-3.5 1,-0.2 5,-0.2 0.953 107.3 53.3 -63.3 -48.1 26.5 24.9 4.0 226 274 A K H < S+ 0 0 80 -4,-2.4 4,-0.4 -10,-0.2 -1,-0.2 0.786 109.7 52.4 -57.5 -24.3 26.7 21.2 5.0 227 275 A V H X S+ 0 0 2 -4,-1.2 4,-2.0 -3,-0.2 5,-0.3 0.895 116.5 34.6 -78.6 -42.4 22.9 21.3 4.7 228 276 A I H X S+ 0 0 3 -4,-2.0 4,-1.2 3,-0.2 30,-0.6 0.762 107.7 68.6 -82.5 -27.5 22.6 22.7 1.2 229 277 A E H < S+ 0 0 67 -4,-3.5 30,-0.4 -5,-0.2 -1,-0.2 0.699 117.8 23.3 -63.1 -19.6 25.7 20.9 0.0 230 278 A Q H 4 S+ 0 0 25 -4,-0.4 -2,-0.2 -3,-0.3 -1,-0.2 0.745 136.9 28.7-113.9 -44.1 23.8 17.7 0.4 231 279 A L H < S- 0 0 37 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.667 106.1-130.2 -93.4 -20.6 20.1 18.5 0.1 232 280 A G < - 0 0 3 -4,-1.2 -3,-0.1 -5,-0.3 -1,-0.1 0.133 39.0 -39.7 88.7 156.1 20.6 21.6 -2.0 233 281 A T S S- 0 0 32 -5,-0.2 22,-0.0 1,-0.1 18,-0.0 -0.232 70.3-113.6 -52.4 133.5 19.4 25.2 -1.9 234 282 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 23,-0.0 -0.029 37.2 -84.8 -64.1 171.3 15.7 25.5 -0.8 235 283 A C >> - 0 0 38 1,-0.1 4,-1.2 3,-0.0 3,-0.9 -0.286 36.6-107.9 -77.4 164.4 12.8 26.6 -2.9 236 284 A P H >> S+ 0 0 102 0, 0.0 4,-2.2 0, 0.0 3,-0.7 0.916 116.4 62.7 -56.8 -48.8 11.8 30.3 -3.5 237 285 A E H 34 S+ 0 0 129 1,-0.3 -2,-0.0 2,-0.2 0, 0.0 0.807 104.7 51.0 -48.5 -30.3 8.7 30.0 -1.3 238 286 A F H X4 S+ 0 0 0 -3,-0.9 3,-1.1 1,-0.2 -1,-0.3 0.868 106.6 53.0 -75.5 -39.2 11.1 29.3 1.5 239 287 A M H X< S+ 0 0 13 -4,-1.2 3,-1.8 -3,-0.7 -2,-0.2 0.883 99.7 61.1 -63.8 -41.5 13.3 32.3 0.8 240 288 A K T 3< S+ 0 0 142 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.1 0.240 98.2 61.4 -74.2 17.7 10.3 34.8 0.9 241 289 A K T < S+ 0 0 136 -3,-1.1 2,-0.4 -5,-0.2 -1,-0.3 0.168 87.7 90.6-124.6 12.3 9.7 33.7 4.5 242 290 A L S < S- 0 0 6 -3,-1.8 5,-0.1 2,-0.0 -52,-0.1 -0.914 85.7-105.1-114.6 137.4 13.1 34.9 5.8 243 291 A Q >> - 0 0 135 -2,-0.4 4,-3.8 -55,-0.3 3,-2.0 -0.283 33.6-120.5 -55.0 140.8 14.0 38.3 7.2 244 292 A P H 3> S+ 0 0 79 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.860 112.3 65.4 -53.9 -39.1 16.0 40.2 4.6 245 293 A T H 34 S+ 0 0 112 1,-0.2 4,-0.4 2,-0.2 -2,-0.1 0.768 120.8 24.0 -56.0 -23.6 18.9 40.6 7.0 246 294 A V H <> S+ 0 0 40 -3,-2.0 4,-2.3 2,-0.1 -1,-0.2 0.678 114.3 63.7-111.3 -32.2 19.1 36.8 6.6 247 295 A R H X S+ 0 0 66 -4,-3.8 4,-2.3 1,-0.2 5,-0.2 0.820 103.3 55.9 -63.4 -27.1 17.5 36.2 3.3 248 296 A N H X S+ 0 0 96 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.974 107.2 45.0 -67.0 -55.7 20.4 38.2 1.9 249 297 A Y H 4 S+ 0 0 61 -4,-0.4 -2,-0.2 -5,-0.3 -1,-0.2 0.898 118.9 43.5 -54.4 -46.5 23.1 36.0 3.4 250 298 A V H >< S+ 0 0 5 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.960 115.2 45.2 -66.2 -55.2 21.3 32.8 2.3 251 299 A E H 3< S+ 0 0 97 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.707 108.7 59.2 -63.8 -21.9 20.3 33.9 -1.2 252 300 A N T 3< S+ 0 0 116 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 0.044 88.6 100.8 -94.7 25.5 23.8 35.3 -1.8 253 301 A R S < S- 0 0 73 -3,-1.5 2,-0.1 1,-0.0 -3,-0.0 -0.857 91.3 -85.9-110.2 147.1 25.3 31.8 -1.1 254 302 A P - 0 0 76 0, 0.0 -2,-0.1 0, 0.0 -21,-0.1 -0.282 49.4-128.5 -53.6 119.5 26.4 29.4 -3.9 255 303 A K + 0 0 160 1,-0.1 -23,-0.1 -4,-0.1 -4,-0.0 -0.011 31.5 172.5 -61.8 174.1 23.4 27.4 -5.1 256 304 A Y - 0 0 111 2,-0.1 -1,-0.1 -25,-0.1 -27,-0.1 0.479 27.5-155.3-149.8 -53.5 23.5 23.7 -5.3 257 305 A A - 0 0 88 -29,-0.1 -25,-0.2 -23,-0.0 -28,-0.1 0.921 48.3-150.6 58.7 41.2 20.4 21.6 -6.1 258 306 A G - 0 0 23 -30,-0.6 -28,-0.2 1,-0.1 -27,-0.1 0.420 18.1 -56.1 -37.8 173.6 22.3 18.9 -4.2 259 307 A L - 0 0 89 -30,-0.4 -1,-0.1 1,-0.1 -2,-0.0 0.022 54.3-110.6 -54.0 157.0 22.3 15.1 -4.6 260 308 A T > - 0 0 79 1,-0.1 4,-2.0 -3,-0.0 -1,-0.1 -0.142 33.8 -98.9 -80.1-176.8 19.2 12.9 -4.2 261 309 A F H > S+ 0 0 40 2,-0.2 4,-3.6 1,-0.2 -1,-0.1 0.895 117.6 59.3 -75.8 -41.7 18.5 10.6 -1.4 262 310 A P H 4 S+ 0 0 66 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.874 112.5 45.3 -55.8 -30.8 19.6 7.3 -3.0 263 311 A K H 4 S+ 0 0 153 1,-0.2 -2,-0.2 2,-0.1 -4,-0.0 0.966 114.0 46.2 -72.5 -55.0 23.0 9.0 -3.3 264 312 A L H < S+ 0 0 8 -4,-2.0 -3,-0.2 1,-0.3 -1,-0.2 0.854 130.1 25.1 -54.6 -40.5 23.0 10.4 0.2 265 313 A F S < S- 0 0 2 -4,-3.6 -1,-0.3 -5,-0.1 -2,-0.1 -0.624 87.8-167.1-128.6 71.8 21.9 7.1 1.7 266 314 A P >> - 0 0 43 0, 0.0 3,-1.3 0, 0.0 4,-0.7 0.041 37.6-104.9 -53.8 164.9 23.1 4.3 -0.8 267 315 A D T 34 S+ 0 0 101 1,-0.3 5,-0.2 2,-0.2 -4,-0.1 0.672 114.5 76.7 -67.6 -16.1 21.8 0.8 -0.5 268 316 A S T 34 S+ 0 0 116 1,-0.2 -1,-0.3 3,-0.1 4,-0.1 0.818 93.7 49.1 -63.2 -32.5 25.2 -0.1 0.9 269 317 A L T <4 S+ 0 0 58 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.808 106.0 66.4 -76.7 -32.2 24.2 1.4 4.3 270 318 A F S < S- 0 0 10 -4,-0.7 2,-0.6 -5,-0.1 -152,-0.1 -0.722 93.5-110.1 -95.2 140.4 20.9 -0.5 4.4 271 319 A P + 0 0 50 0, 0.0 10,-0.3 0, 0.0 9,-0.1 -0.571 41.8 167.3 -71.7 113.3 20.7 -4.3 4.7 272 320 A A + 0 0 45 -2,-0.6 3,-0.1 -5,-0.2 -2,-0.0 -0.469 39.8 106.7-125.1 58.4 19.4 -5.6 1.4 273 321 A D S S+ 0 0 125 -2,-0.0 2,-0.2 1,-0.0 -1,-0.1 0.808 77.3 43.3 -99.6 -46.9 20.1 -9.4 1.7 274 322 A S S > S- 0 0 40 -3,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.540 86.0-116.9 -96.9 166.7 16.5 -10.6 2.2 275 323 A E H > S+ 0 0 153 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.853 117.1 52.9 -70.1 -32.3 13.4 -9.5 0.3 276 324 A H H > S+ 0 0 122 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.953 110.4 44.5 -66.9 -50.6 12.1 -8.2 3.6 277 325 A N H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.841 109.0 59.7 -63.7 -31.1 15.1 -6.1 4.4 278 326 A K H X S+ 0 0 96 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.942 109.8 40.9 -61.0 -48.0 15.1 -4.9 0.8 279 327 A L H X S+ 0 0 100 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.863 112.8 54.3 -68.6 -39.1 11.6 -3.5 1.1 280 328 A K H X S+ 0 0 28 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.906 103.5 57.7 -63.6 -37.3 12.4 -2.1 4.6 281 329 A A H X S+ 0 0 5 -4,-2.4 4,-3.0 -10,-0.3 5,-0.3 0.974 108.2 44.9 -55.9 -55.3 15.4 -0.3 3.1 282 330 A S H X S+ 0 0 55 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.886 114.0 48.6 -54.7 -45.5 13.2 1.6 0.6 283 331 A Q H X S+ 0 0 35 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.917 112.9 49.9 -62.1 -41.0 10.6 2.5 3.2 284 332 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.949 112.4 44.5 -62.4 -50.5 13.4 3.7 5.5 285 333 A R H X S+ 0 0 31 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.844 110.1 58.7 -63.9 -30.9 15.0 5.8 2.8 286 334 A D H X S+ 0 0 68 -4,-2.3 4,-0.5 -5,-0.3 -1,-0.2 0.941 107.3 44.4 -63.8 -46.9 11.5 7.1 1.9 287 335 A L H >X S+ 0 0 1 -4,-2.2 3,-1.2 1,-0.2 4,-1.1 0.884 108.9 57.7 -63.9 -40.1 10.9 8.4 5.4 288 336 A L H >X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.3 3,-0.7 0.912 104.9 51.7 -55.3 -43.6 14.3 9.9 5.6 289 337 A S H 3< S+ 0 0 36 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.605 109.6 49.7 -69.5 -15.6 13.5 11.9 2.4 290 338 A K H << S+ 0 0 89 -3,-1.2 10,-2.6 -4,-0.5 -1,-0.2 0.566 117.0 39.6 -99.2 -11.0 10.3 13.2 4.0 291 339 A M H << S+ 0 0 1 -4,-1.1 2,-1.9 -3,-0.7 -89,-0.2 0.759 103.1 66.4-104.7 -35.2 12.0 14.3 7.3 292 340 A L S < S+ 0 0 4 -4,-2.8 2,-0.5 -5,-0.2 -1,-0.2 -0.419 73.2 128.2 -87.2 63.1 15.2 15.7 5.9 293 341 A V - 0 0 35 -2,-1.9 6,-0.1 -3,-0.2 5,-0.1 -0.982 52.5-150.2-122.7 123.1 13.5 18.6 4.2 294 342 A I S S+ 0 0 11 -2,-0.5 -109,-0.3 -67,-0.1 -1,-0.1 0.924 80.6 71.9 -56.0 -51.3 14.6 22.1 4.7 295 343 A D > - 0 0 17 1,-0.2 3,-2.0 3,-0.1 4,-0.5 -0.596 68.3-155.6 -77.1 114.6 11.2 23.8 4.2 296 344 A P G > S+ 0 0 10 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.799 93.5 63.6 -54.1 -35.6 8.9 23.1 7.2 297 345 A A G 3 S+ 0 0 75 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.740 114.4 32.9 -64.5 -21.2 5.8 23.7 4.9 298 346 A K G < S+ 0 0 102 -3,-2.0 2,-0.4 2,-0.1 -1,-0.2 0.314 96.2 104.4-115.5 3.8 7.0 20.6 2.9 299 347 A R S < S- 0 0 12 -3,-0.7 -8,-0.2 -4,-0.5 -104,-0.1 -0.728 79.6-107.2 -88.5 136.4 8.5 18.6 5.7 300 348 A I - 0 0 24 -10,-2.6 2,-0.1 -2,-0.4 -102,-0.1 -0.154 35.9-122.9 -58.5 155.6 6.4 15.6 6.9 301 349 A S > - 0 0 43 1,-0.1 4,-2.5 -103,-0.1 5,-0.2 -0.475 20.6-105.2 -97.9 171.2 4.6 16.0 10.3 302 350 A V H > S+ 0 0 7 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.919 119.8 47.7 -59.5 -47.2 4.8 13.8 13.5 303 351 A D H > S+ 0 0 78 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.834 114.3 45.4 -66.7 -34.1 1.4 12.3 12.9 304 352 A D H > S+ 0 0 98 2,-0.2 4,-0.7 1,-0.2 3,-0.4 0.876 111.3 53.3 -75.2 -37.0 2.1 11.5 9.2 305 353 A A H < S+ 0 0 0 -4,-2.5 6,-0.2 1,-0.3 -2,-0.2 0.804 107.4 51.9 -65.2 -30.7 5.5 10.1 10.2 306 354 A L H < S+ 0 0 11 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.736 109.6 50.0 -77.2 -19.3 3.7 7.9 12.6 307 355 A Q H < S+ 0 0 116 -4,-0.6 -2,-0.2 -3,-0.4 -1,-0.2 0.520 83.5 115.3 -91.9 -10.0 1.4 6.7 9.8 308 356 A H S >X S- 0 0 7 -4,-0.7 4,-3.6 -3,-0.2 3,-1.2 -0.380 75.6-126.7 -60.0 137.3 4.4 6.0 7.6 309 357 A P H 3> S+ 0 0 59 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.844 108.8 62.7 -56.7 -34.9 4.5 2.3 6.9 310 358 A Y H 34 S+ 0 0 0 -27,-0.2 -26,-0.1 1,-0.2 -4,-0.1 0.832 120.7 24.2 -60.2 -29.7 8.1 2.1 8.1 311 359 A I H X4 S+ 0 0 0 -3,-1.2 3,-1.2 -6,-0.2 4,-0.2 0.757 105.0 76.2-104.3 -35.8 6.8 3.2 11.5 312 360 A N H >< S+ 0 0 69 -4,-3.6 3,-1.5 1,-0.3 -2,-0.1 0.639 73.2 85.3 -55.7 -17.5 3.1 2.2 11.6 313 361 A V T 3< S+ 0 0 80 -4,-0.7 -1,-0.3 1,-0.3 -2,-0.1 0.416 95.8 43.8 -68.1 7.8 4.1 -1.5 12.2 314 362 A W T < 0 0 82 -3,-1.2 -1,-0.3 -191,-0.1 -2,-0.2 0.435 360.0 360.0-126.0 -5.5 4.3 -0.5 15.9 315 363 A Y < 0 0 184 -3,-1.5 -8,-0.0 -4,-0.2 -3,-0.0 0.125 360.0 360.0 -46.7 360.0 1.1 1.6 16.2 316 ! 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 0.0 317 383 A R 0 0 175 0, 0.0 2,-0.5 0, 0.0 -255,-0.0 0.000 360.0 360.0 360.0-160.5 10.2 35.5 33.2 318 384 A E + 0 0 146 -256,-0.0 2,-0.2 6,-0.0 -260,-0.0 -0.946 360.0 172.9-127.5 108.7 13.5 36.9 34.4 319 385 A H - 0 0 36 -2,-0.5 2,-0.1 1,-0.1 -261,-0.1 -0.681 32.0-102.8-113.4 167.3 14.3 36.7 38.1 320 386 A T >> - 0 0 75 -2,-0.2 4,-2.9 1,-0.1 3,-0.9 -0.467 40.0-102.3 -84.1 159.2 17.3 37.5 40.3 321 387 A I T 34 S+ 0 0 90 1,-0.3 4,-0.5 2,-0.2 -1,-0.1 0.551 125.8 51.4 -60.1 -2.4 19.6 34.8 41.6 322 388 A E T 3> S+ 0 0 125 2,-0.1 4,-1.3 3,-0.1 -1,-0.3 0.743 110.2 44.6-101.6 -32.7 17.7 35.3 44.9 323 389 A E H <> S+ 0 0 91 -3,-0.9 4,-3.1 2,-0.2 -2,-0.2 0.855 113.6 51.7 -77.7 -36.6 14.2 34.9 43.5 324 390 A W H X S+ 0 0 1 -4,-2.9 4,-3.5 2,-0.2 5,-0.4 0.948 106.4 52.5 -63.7 -49.8 15.2 31.9 41.5 325 391 A K H > S+ 0 0 17 -4,-0.5 4,-2.9 -5,-0.3 -1,-0.2 0.917 112.6 48.6 -51.1 -43.1 16.7 30.2 44.5 326 392 A E H X S+ 0 0 76 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.981 113.0 44.7 -59.4 -61.0 13.4 30.9 46.1 327 393 A L H X S+ 0 0 42 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.909 117.5 44.7 -50.4 -51.0 11.3 29.5 43.2 328 394 A I H X S+ 0 0 1 -4,-3.5 4,-2.5 1,-0.2 -1,-0.2 0.920 111.2 52.7 -63.8 -44.6 13.5 26.5 42.8 329 395 A Y H X S+ 0 0 28 -4,-2.9 4,-2.7 -5,-0.4 -1,-0.2 0.896 109.4 50.2 -59.0 -41.1 13.6 25.7 46.5 330 396 A K H < S+ 0 0 136 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.942 109.5 49.8 -62.7 -48.1 9.8 25.8 46.8 331 397 A E H < S+ 0 0 44 -4,-2.1 3,-0.4 -5,-0.2 -1,-0.2 0.922 110.9 50.2 -58.3 -43.9 9.4 23.5 43.9 332 398 A V H < S+ 0 0 9 -4,-2.5 2,-2.9 1,-0.3 -2,-0.2 0.978 105.4 56.8 -57.8 -55.1 11.8 21.0 45.4 333 399 A M < 0 0 92 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.1 -0.366 360.0 360.0 -75.7 63.4 10.0 21.2 48.8 334 400 A N 0 0 162 -2,-2.9 -1,-0.2 -3,-0.4 -2,-0.1 0.829 360.0 360.0 -28.6 360.0 6.8 20.1 47.2