==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-AUG-03 1Q4L . COMPND 2 MOLECULE: GLYCOGEN SYNTHASE KINASE-3 BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.A.BERTRAND,S.THIEFFINE,A.VULPETTI,C.CRISTIANI,B.VALSASINA, . 679 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 413 60.8 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 . 107 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 38 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.3 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 6 2 1 3 0 1 3 0 2 0 0 0 2 0 0 2 0 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 . 1 6 0 3 1 3 5 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 . 2 0 2 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 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 35 A S 0 0 148 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.5 63.6 13.4 35.1 2 36 A K - 0 0 173 1,-0.0 2,-0.4 2,-0.0 22,-0.4 -0.261 360.0-166.1 -64.3 147.6 61.2 15.8 33.4 3 37 A V - 0 0 79 20,-0.1 2,-0.4 21,-0.1 20,-0.2 -1.000 7.1-155.9-138.2 133.4 58.9 18.0 35.6 4 38 A T E -A 22 0A 44 18,-2.6 18,-2.6 -2,-0.4 2,-0.4 -0.931 8.6-171.5-112.9 131.9 55.9 20.1 34.6 5 39 A T E +A 21 0A 68 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.987 10.4 170.1-124.9 128.4 54.7 23.1 36.6 6 40 A V E -A 20 0A 30 14,-2.9 14,-3.3 -2,-0.4 2,-0.7 -0.893 35.7-121.0-132.5 162.1 51.4 24.9 36.0 7 41 A V E +A 19 0A 98 -2,-0.3 2,-0.2 12,-0.2 12,-0.2 -0.913 44.2 176.8-105.5 108.2 49.3 27.5 37.7 8 42 A A E -A 18 0A 2 10,-2.3 10,-2.7 -2,-0.7 74,-0.2 -0.697 30.8-116.2-113.9 166.0 45.9 26.0 38.3 9 43 A T E -B 81 0A 25 72,-2.1 72,-1.3 -2,-0.2 6,-0.1 -0.803 40.2-106.0 -96.7 135.1 42.6 27.0 40.0 10 44 A P E -B 80 0A 11 0, 0.0 70,-0.3 0, 0.0 69,-0.1 -0.167 26.8-122.2 -55.7 157.5 41.5 25.0 43.0 11 45 A G S S- 0 0 2 68,-2.0 68,-0.2 67,-0.1 69,-0.1 0.919 93.5 -14.6 -69.6 -43.9 38.6 22.6 42.3 12 46 A Q S S+ 0 0 66 67,-0.3 3,-0.1 2,-0.1 67,-0.1 0.623 108.4 96.2-130.9 -33.9 36.3 24.1 44.9 13 47 A G S S- 0 0 34 1,-0.1 0, 0.0 3,-0.1 0, 0.0 0.079 94.4 -63.9 -52.5 175.3 38.1 26.3 47.4 14 48 A P - 0 0 112 0, 0.0 2,-3.2 0, 0.0 -1,-0.1 -0.312 68.5 -86.3 -62.3 153.9 38.1 30.1 46.7 15 49 A D S S+ 0 0 97 -3,-0.1 -2,-0.0 -6,-0.1 -6,-0.0 -0.185 71.8 147.2 -61.6 56.4 39.9 31.1 43.5 16 50 A R - 0 0 193 -2,-3.2 -8,-0.1 1,-0.0 -1,-0.1 -0.789 48.8-129.1 -95.9 97.5 43.5 31.3 44.9 17 51 A P - 0 0 84 0, 0.0 2,-0.4 0, 0.0 -8,-0.2 -0.115 27.7-161.3 -45.5 133.8 45.8 30.2 42.0 18 52 A Q E -A 8 0A 82 -10,-2.7 -10,-2.3 2,-0.0 2,-0.6 -0.941 19.8-122.0-124.7 146.8 48.2 27.5 43.1 19 53 A E E -A 7 0A 156 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.2 -0.769 33.3-170.0 -88.8 120.2 51.5 26.4 41.6 20 54 A V E -A 6 0A 10 -14,-3.3 -14,-2.9 -2,-0.6 2,-0.4 -0.951 6.6-170.9-117.6 130.3 51.2 22.7 40.8 21 55 A S E +A 5 0A 29 -2,-0.4 21,-1.9 -16,-0.2 22,-0.3 -0.968 12.1 166.5-121.4 132.5 54.2 20.5 39.8 22 56 A Y E -AC 4 41A 25 -18,-2.6 -18,-2.6 -2,-0.4 2,-0.3 -0.953 13.9-161.5-143.3 161.6 53.9 16.9 38.6 23 57 A T E + C 0 40A 19 17,-2.7 17,-3.0 -2,-0.3 -20,-0.1 -0.965 59.2 47.0-143.8 158.5 55.9 14.2 36.9 24 58 A D E - 0 0 90 -22,-0.4 2,-0.5 -2,-0.3 14,-0.2 0.781 59.7-166.8 83.3 33.7 55.5 10.9 34.9 25 59 A T E + 0 0 75 -3,-0.1 2,-0.4 12,-0.1 14,-0.2 -0.319 20.9 162.5 -54.8 105.0 52.7 11.9 32.6 26 60 A K E - C 0 38A 116 12,-2.0 12,-3.1 -2,-0.5 2,-0.2 -0.972 39.8-108.0-129.3 146.3 51.6 8.6 31.2 27 61 A V E + C 0 37A 93 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.500 28.7 177.4 -73.0 132.8 48.4 7.7 29.3 28 62 A I E - 0 0 77 8,-2.6 2,-0.2 1,-0.4 9,-0.2 0.528 52.9 -82.6-112.1 -6.4 45.8 5.6 31.1 29 63 A G E - C 0 36A 28 7,-0.8 7,-2.6 2,-0.0 2,-0.4 -0.814 58.1 -37.9 137.6-177.9 43.1 5.4 28.5 30 64 A N E - C 0 35A 138 -2,-0.2 2,-0.3 5,-0.2 5,-0.2 -0.725 40.2-174.5 -92.4 129.2 40.1 7.2 26.9 31 65 A G E > - C 0 34A 15 3,-1.8 3,-2.3 -2,-0.4 2,-0.1 -0.773 52.5 -71.3-108.9 159.1 37.5 9.2 29.0 32 66 A S T 3 S- 0 0 16 -2,-0.3 3,-0.1 1,-0.3 133,-0.1 -0.324 119.6 -0.8 -59.9 125.0 34.5 10.6 27.2 33 67 A F T 3 S+ 0 0 114 1,-0.2 21,-0.5 -2,-0.1 2,-0.3 0.622 133.7 24.5 72.8 16.6 35.5 13.5 24.9 34 68 A G E < S-CD 31 53A 15 -3,-2.3 -3,-1.8 19,-0.2 2,-0.4 -0.982 82.1 -80.8-177.5-171.0 39.2 13.2 25.9 35 69 A V E -CD 30 52A 43 17,-1.8 17,-3.0 -2,-0.3 2,-0.5 -0.916 30.4-145.8-117.7 146.0 42.2 11.3 27.1 36 70 A V E -CD 29 51A 27 -7,-2.6 -8,-2.6 -2,-0.4 -7,-0.8 -0.951 16.3-169.1-116.4 126.3 43.0 10.7 30.8 37 71 A Y E -CD 27 50A 56 13,-3.1 13,-2.2 -2,-0.5 2,-0.3 -0.630 16.2-132.6-107.3 167.0 46.6 10.6 32.0 38 72 A Q E +CD 26 49A 18 -12,-3.1 -12,-2.0 11,-0.2 2,-0.3 -0.879 30.1 171.0-114.0 150.5 48.2 9.6 35.2 39 73 A A E - D 0 48A 0 9,-1.9 9,-2.7 -2,-0.3 2,-0.5 -0.983 29.4-126.5-158.8 153.9 50.7 11.8 36.9 40 74 A K E -CD 23 47A 71 -17,-3.0 -17,-2.7 -2,-0.3 2,-0.5 -0.905 25.0-127.5-107.8 125.2 52.6 12.0 40.2 41 75 A L E > -C 22 0A 9 5,-3.3 4,-2.0 -2,-0.5 5,-0.4 -0.628 20.5-137.7 -72.6 122.0 52.5 15.2 42.2 42 76 A C T 4 S+ 0 0 43 -21,-1.9 -1,-0.1 -2,-0.5 -20,-0.1 0.919 93.1 42.8 -42.2 -68.1 56.1 16.1 42.9 43 77 A D T 4 S+ 0 0 127 -22,-0.3 -1,-0.1 1,-0.2 -21,-0.0 0.954 127.5 24.1 -46.1 -78.4 55.7 17.1 46.6 44 78 A S T 4 S- 0 0 69 1,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.621 94.2-135.0 -69.5 -13.1 53.4 14.5 48.1 45 79 A G < + 0 0 31 -4,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.796 54.9 150.8 61.0 25.6 54.4 12.0 45.5 46 80 A E - 0 0 79 -5,-0.4 -5,-3.3 1,-0.0 -1,-0.2 -0.667 45.7-118.5 -91.5 143.6 50.7 11.3 45.3 47 81 A L E +D 40 0A 67 -2,-0.3 51,-0.6 -7,-0.2 2,-0.3 -0.554 34.2 173.1 -84.6 147.9 49.1 10.0 42.1 48 82 A V E -DE 39 97A 1 -9,-2.7 -9,-1.9 -2,-0.2 2,-0.3 -0.921 26.4-123.2-142.9 167.6 46.4 12.0 40.2 49 83 A A E -DE 38 96A 8 47,-2.6 47,-2.7 -2,-0.3 2,-0.4 -0.854 16.0-158.7-113.5 152.0 44.5 11.7 37.0 50 84 A I E -DE 37 95A 4 -13,-2.2 -13,-3.1 -2,-0.3 2,-0.7 -0.950 1.9-160.4-134.9 110.7 44.4 14.4 34.4 51 85 A K E -DE 36 94A 7 43,-2.1 43,-2.1 -2,-0.4 2,-0.5 -0.846 11.9-163.4 -94.2 118.6 41.6 14.4 31.9 52 86 A K E +DE 35 93A 57 -17,-3.0 -17,-1.8 -2,-0.7 2,-0.3 -0.909 14.5 170.2-107.0 123.4 42.6 16.5 28.9 53 87 A V E -DE 34 92A 10 39,-2.0 39,-2.4 -2,-0.5 2,-0.4 -0.963 39.4-100.4-134.5 154.0 39.8 17.7 26.5 54 88 A L E - E 0 91A 85 -21,-0.5 2,-0.7 -2,-0.3 37,-0.2 -0.559 35.1-155.2 -73.7 121.5 39.5 20.1 23.6 55 89 A Q - 0 0 18 35,-3.2 2,-0.6 -2,-0.4 35,-0.4 -0.844 2.3-157.1-106.9 107.3 38.0 23.4 24.7 56 90 A D > - 0 0 102 -2,-0.7 3,-1.7 1,-0.1 33,-0.0 -0.700 16.9-138.4 -81.8 116.9 36.2 25.4 22.0 57 91 A K T 3 S+ 0 0 133 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.633 91.0 81.3 -48.9 -22.0 36.1 29.0 23.1 58 92 A R T 3 S+ 0 0 224 2,-0.0 2,-0.3 1,-0.0 -1,-0.3 0.861 101.4 23.5 -55.4 -41.0 32.5 29.4 21.9 59 93 A F S < S- 0 0 164 -3,-1.7 2,-0.3 0, 0.0 -1,-0.0 -0.855 80.6-111.0-127.7 163.1 31.1 27.8 25.0 60 94 A K - 0 0 138 -2,-0.3 2,-0.6 1,-0.1 -4,-0.0 -0.676 48.5 -94.8 -90.0 147.7 32.0 27.2 28.7 61 95 A N > - 0 0 23 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 -0.492 29.9-162.4 -70.4 111.8 32.7 23.5 29.7 62 96 A R H > S+ 0 0 132 -2,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.746 89.9 53.4 -65.4 -26.2 29.6 21.9 31.2 63 97 A E H > S+ 0 0 16 2,-0.2 4,-2.8 1,-0.1 -1,-0.2 0.928 109.5 50.5 -74.3 -42.1 31.5 19.0 32.8 64 98 A L H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.933 109.2 48.9 -59.6 -49.2 33.7 21.6 34.5 65 99 A Q H X S+ 0 0 69 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.882 113.4 48.5 -61.2 -36.9 30.8 23.6 35.9 66 100 A I H >< S+ 0 0 13 -4,-1.4 3,-0.6 -5,-0.2 -2,-0.2 0.930 112.8 46.1 -70.1 -43.8 29.1 20.5 37.2 67 101 A M H >< S+ 0 0 5 -4,-2.8 3,-1.9 1,-0.2 11,-0.3 0.845 101.6 64.1 -70.4 -31.4 32.2 19.2 38.9 68 102 A R H 3< S+ 0 0 76 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.819 104.6 49.2 -60.2 -29.5 33.3 22.4 40.5 69 103 A K T << S+ 0 0 104 -4,-0.8 2,-0.4 -3,-0.6 -1,-0.3 0.358 97.5 91.3 -92.9 8.5 30.0 22.3 42.5 70 104 A L < + 0 0 6 -3,-1.9 8,-0.4 -4,-0.1 2,-0.2 -0.861 35.3 156.7-110.9 138.7 30.5 18.6 43.7 71 105 A D + 0 0 97 -2,-0.4 2,-0.3 6,-0.1 6,-0.1 -0.692 20.3 139.2-157.2 95.5 32.2 17.3 46.8 72 106 A H > - 0 0 19 3,-0.2 3,-1.9 -2,-0.2 -2,-0.0 -0.996 56.7-120.8-142.3 143.5 31.2 13.8 48.0 73 107 A C T 3 S+ 0 0 50 -2,-0.3 4,-0.1 1,-0.3 243,-0.1 0.716 112.8 47.5 -57.3 -22.0 33.2 10.9 49.4 74 108 A N T 3 S+ 0 0 3 87,-0.1 88,-2.6 54,-0.1 2,-0.4 0.014 99.7 76.8-108.9 26.0 32.0 8.6 46.5 75 109 A I B < S-g 162 0B 3 -3,-1.9 2,-0.2 86,-0.3 -3,-0.2 -0.973 90.8 -99.3-132.6 149.2 32.6 10.9 43.6 76 110 A V - 0 0 9 86,-2.1 2,-0.4 -2,-0.4 -2,-0.1 -0.507 43.9-129.2 -68.5 132.1 35.9 11.7 41.9 77 111 A R - 0 0 90 -2,-0.2 2,-0.9 -4,-0.1 20,-0.9 -0.694 3.7-133.4 -90.2 132.7 37.1 15.0 43.2 78 112 A L E + F 0 96A 1 -2,-0.4 18,-0.2 -8,-0.4 -67,-0.1 -0.730 27.7 178.4 -80.5 109.2 38.2 17.9 40.9 79 113 A R E - 0 0 33 16,-3.3 -68,-2.0 -2,-0.9 2,-0.3 0.919 60.9 -20.9 -79.6 -47.8 41.5 19.0 42.5 80 114 A Y E -BF 10 95A 49 15,-1.0 15,-3.2 -70,-0.3 2,-0.3 -0.960 55.4-156.0-155.1 162.2 42.5 21.7 40.1 81 115 A F E +BF 9 94A 11 -72,-1.3 -72,-2.1 -2,-0.3 2,-0.3 -0.987 19.0 163.6-146.6 139.5 41.8 22.7 36.6 82 116 A F E - F 0 93A 12 11,-1.8 11,-2.8 -2,-0.3 2,-0.3 -0.969 31.8-113.1-151.1 161.8 43.9 24.7 34.2 83 117 A Y E + F 0 92A 84 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.701 34.1 177.7-101.7 154.8 44.2 25.4 30.5 84 118 A S E - F 0 91A 34 7,-2.3 7,-2.6 -2,-0.3 2,-0.1 -0.916 25.0 -84.4-147.5 176.1 47.1 24.4 28.2 85 119 A S 0 0 101 -2,-0.3 5,-0.1 5,-0.2 -1,-0.0 -0.276 360.0 360.0 -83.8 164.8 48.5 24.4 24.7 86 120 A G 0 0 61 3,-0.3 4,-0.1 -2,-0.1 -1,-0.1 0.265 360.0 360.0-166.8 360.0 48.0 22.2 21.6 87 ! 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 88 124 A D 0 0 184 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 64.7 46.7 25.4 17.6 89 125 A E - 0 0 78 -33,-0.0 2,-0.5 -5,-0.0 -3,-0.3 -0.932 360.0-105.1-144.2 166.8 43.9 24.8 20.1 90 126 A V - 0 0 49 -35,-0.4 -35,-3.2 -2,-0.3 2,-0.5 -0.837 27.8-157.9-100.6 125.7 43.0 25.2 23.8 91 127 A Y E -EF 54 84A 57 -7,-2.6 -7,-2.3 -2,-0.5 2,-0.5 -0.895 6.4-148.6-107.7 126.8 43.0 22.2 26.1 92 128 A L E -EF 53 83A 0 -39,-2.4 -39,-2.0 -2,-0.5 2,-0.5 -0.777 17.5-158.4 -87.5 128.8 41.1 22.2 29.4 93 129 A N E -EF 52 82A 5 -11,-2.8 -11,-1.8 -2,-0.5 2,-0.6 -0.943 7.4-164.9-115.6 130.0 42.8 20.0 32.0 94 130 A L E -EF 51 81A 0 -43,-2.1 -43,-2.1 -2,-0.5 2,-0.8 -0.947 9.4-152.4-114.5 119.3 41.1 18.5 35.0 95 131 A V E +EF 50 80A 6 -15,-3.2 -16,-3.3 -2,-0.6 -15,-1.0 -0.814 30.2 174.0 -91.9 109.6 43.2 17.2 37.8 96 132 A L E -EF 49 78A 19 -47,-2.7 -47,-2.6 -2,-0.8 -18,-0.2 -0.651 39.3 -81.7-112.8 167.8 41.1 14.4 39.4 97 133 A D E -E 48 0A 17 -20,-0.9 2,-0.5 -2,-0.2 -49,-0.2 -0.377 46.9-131.3 -63.8 148.1 41.6 11.8 42.2 98 134 A Y - 0 0 70 -51,-0.6 -51,-0.1 -50,-0.1 -1,-0.1 -0.888 24.0-174.6-105.5 133.6 43.3 8.7 40.8 99 135 A V - 0 0 22 -2,-0.5 55,-0.1 1,-0.1 54,-0.1 -0.998 20.2-141.8-131.4 129.1 41.8 5.3 41.5 100 136 A P S S+ 0 0 45 0, 0.0 2,-0.3 0, 0.0 54,-0.1 0.747 74.7 33.7 -57.0 -38.6 43.6 2.0 40.5 101 137 A E E -H 153 0B 45 52,-1.6 52,-2.8 4,-0.0 2,-0.3 -0.830 60.5-146.3-125.9 164.3 40.7 -0.2 39.4 102 138 A T E > -H 152 0B 10 -2,-0.3 4,-2.0 50,-0.3 50,-0.2 -0.895 28.7-120.8-122.4 155.0 37.3 0.0 37.7 103 139 A V H > S+ 0 0 3 48,-2.9 4,-2.7 45,-0.8 5,-0.3 0.828 112.8 61.4 -64.5 -28.5 34.3 -2.1 38.4 104 140 A Y H > S+ 0 0 110 44,-1.1 4,-1.5 47,-0.3 -1,-0.2 0.962 106.3 42.5 -60.3 -54.3 34.4 -3.2 34.8 105 141 A R H > S+ 0 0 107 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.891 117.0 47.3 -61.7 -41.9 37.8 -4.8 35.1 106 142 A V H X S+ 0 0 26 -4,-2.0 4,-1.7 2,-0.2 3,-0.3 0.934 110.8 48.1 -70.0 -47.0 37.1 -6.4 38.4 107 143 A A H X S+ 0 0 22 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.832 111.6 56.3 -62.0 -26.6 33.8 -7.9 37.6 108 144 A R H X S+ 0 0 103 -4,-1.5 4,-2.8 -5,-0.3 -1,-0.2 0.855 100.5 54.2 -73.0 -38.2 35.5 -9.2 34.4 109 145 A H H < S+ 0 0 100 -4,-1.6 6,-0.2 -3,-0.3 -2,-0.2 0.963 114.1 42.5 -61.8 -47.7 38.3 -11.0 36.2 110 146 A Y H <>S+ 0 0 69 -4,-1.7 5,-2.4 1,-0.2 3,-0.4 0.924 113.8 55.1 -61.9 -41.8 35.7 -12.9 38.2 111 147 A S H ><5S+ 0 0 46 -4,-2.2 2,-2.0 1,-0.3 3,-1.7 0.937 103.6 50.3 -58.1 -55.5 33.6 -13.3 35.0 112 148 A R T 3<5S+ 0 0 171 -4,-2.8 -1,-0.3 1,-0.3 -4,-0.1 -0.451 113.2 47.9 -87.1 67.6 36.2 -15.0 32.8 113 149 A A T 3 5S- 0 0 53 -2,-2.0 -1,-0.3 -3,-0.4 -2,-0.2 0.127 116.7-108.5 176.9 7.9 37.0 -17.5 35.4 114 150 A K T < 5S+ 0 0 199 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.610 79.1 116.5 59.2 22.8 33.5 -18.5 36.2 115 151 A Q < - 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0 0 31 0, 0.0 -9,-0.1 0, 0.0 -33,-0.1 -0.223 37.1-148.3 -53.9 143.2 24.8 -8.1 31.4 220 256 A I S S+ 0 0 16 -11,-0.3 -10,-0.0 1,-0.2 -35,-0.0 0.788 89.5 33.1 -86.8 -27.3 21.2 -8.8 32.1 221 257 A F S S+ 0 0 5 -36,-0.3 -1,-0.2 -12,-0.1 -36,-0.1 -0.545 79.7 165.7-129.0 69.8 19.7 -7.0 29.1 222 258 A P + 0 0 42 0, 0.0 10,-0.2 0, 0.0 2,-0.2 -0.311 6.2 137.5 -80.8 165.8 22.1 -7.4 26.1 223 259 A G - 0 0 12 1,-0.1 -2,-0.0 8,-0.1 6,-0.0 -0.575 51.2-131.6 158.6 136.5 21.4 -6.7 22.5 224 260 A D S S+ 0 0 65 -2,-0.2 305,-2.2 304,-0.1 2,-0.3 0.683 94.9 36.0 -77.1 -17.5 23.1 -5.1 19.5 225 261 A S S > S- 0 0 8 303,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.853 87.6-108.2-131.6 168.4 19.9 -3.1 18.7 226 262 A G H > S+ 0 0 12 299,-0.6 4,-2.1 301,-0.5 300,-0.2 0.898 119.1 54.5 -60.6 -39.4 17.1 -1.4 20.6 227 263 A V H > S+ 0 0 10 298,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.932 107.9 47.1 -59.5 -51.4 14.8 -4.2 19.5 228 264 A D H > S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.920 110.7 52.2 -58.7 -45.8 16.9 -7.0 20.9 229 265 A Q H X S+ 0 0 13 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.896 109.3 50.4 -58.5 -41.9 17.4 -5.2 24.2 230 266 A L H X S+ 0 0 4 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.898 105.7 55.5 -65.2 -39.3 13.6 -4.8 24.6 231 267 A V H X S+ 0 0 32 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.923 109.9 47.1 -59.7 -40.3 13.1 -8.4 23.9 232 268 A E H X S+ 0 0 57 -4,-2.0 4,-0.7 -10,-0.2 -2,-0.2 0.915 112.5 48.6 -65.8 -42.8 15.4 -9.2 26.8 233 269 A I H >X S+ 0 0 2 -4,-2.3 4,-3.2 1,-0.2 3,-0.9 0.920 112.3 49.2 -63.3 -44.2 13.7 -6.7 29.1 234 270 A I H 3X S+ 0 0 11 -4,-3.1 4,-1.9 1,-0.3 -1,-0.2 0.887 100.2 63.8 -64.5 -39.4 10.3 -8.1 28.2 235 271 A K H 3< S+ 0 0 99 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.775 118.5 28.7 -55.7 -23.5 11.4 -11.7 28.8 236 272 A V H << S+ 0 0 16 -3,-0.9 21,-1.0 -4,-0.7 -2,-0.2 0.818 127.7 36.2-107.3 -41.0 11.9 -10.6 32.4 237 273 A L H < S- 0 0 32 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.2 0.394 104.6-126.6 -94.0 4.0 9.5 -7.8 33.2 238 274 A G < - 0 0 3 -4,-1.9 -1,-0.3 17,-0.3 17,-0.2 -0.207 50.9 -37.1 77.3-176.6 6.7 -9.2 31.1 239 275 A T - 0 0 40 15,-1.8 2,-0.2 -4,-0.1 17,-0.1 -0.590 68.8-108.7 -82.6 142.8 5.0 -7.2 28.4 240 276 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.506 28.9-129.8 -71.4 134.0 4.4 -3.5 29.1 241 277 A T > - 0 0 77 -2,-0.2 4,-1.7 1,-0.1 5,-0.1 -0.278 29.6-105.4 -71.6 169.5 0.8 -2.6 29.7 242 278 A R H > S+ 0 0 203 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.884 123.2 54.2 -65.8 -35.1 -0.5 0.3 27.6 243 279 A E H > S+ 0 0 85 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.908 107.5 49.9 -62.9 -43.5 -0.4 2.5 30.7 244 280 A Q H > S+ 0 0 44 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.848 109.1 51.8 -65.0 -33.9 3.2 1.6 31.3 245 281 A I H X S+ 0 0 74 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.843 107.3 54.1 -71.1 -31.9 4.1 2.4 27.7 246 282 A R H < S+ 0 0 154 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.828 105.8 50.9 -70.6 -34.4 2.4 5.8 28.1 247 283 A E H < S+ 0 0 78 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.682 114.4 44.6 -78.0 -17.9 4.5 6.8 31.1 248 284 A M H < 0 0 2 -4,-0.8 -2,-0.2 -3,-0.2 -51,-0.2 0.846 360.0 360.0 -89.2 -43.5 7.7 5.9 29.2 249 285 A N < 0 0 109 -4,-2.4 -3,-0.1 -5,-0.1 -53,-0.1 0.602 360.0 360.0 88.7 360.0 6.7 7.7 26.0 250 ! 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 0.0 251 293 A F 0 0 107 0, 0.0 2,-1.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 132.9 6.1 -7.4 20.3 252 294 A P - 0 0 63 0, 0.0 147,-0.0 0, 0.0 148,-0.0 -0.378 360.0-120.4 -59.6 92.8 5.2 -11.1 20.9 253 295 A Q + 0 0 144 -2,-1.1 2,-0.3 1,-0.0 -15,-0.0 -0.049 39.4 176.8 -42.2 121.7 3.4 -10.7 24.2 254 296 A I - 0 0 77 -20,-0.0 -15,-1.8 1,-0.0 2,-0.1 -0.873 20.7-119.4-126.5 158.2 5.0 -12.6 27.1 255 297 A K - 0 0 169 -2,-0.3 -17,-0.3 -17,-0.2 2,-0.1 -0.306 44.6 -55.8 -97.0 179.7 4.1 -12.7 30.8 256 298 A A - 0 0 86 -19,-0.1 -1,-0.2 -18,-0.1 -19,-0.2 -0.308 49.3-147.0 -56.4 123.3 5.6 -11.8 34.2 257 299 A H - 0 0 56 -21,-1.0 2,-0.5 -23,-0.2 5,-0.1 -0.829 17.2-125.1 -99.8 106.4 8.9 -13.7 34.8 258 300 A P > - 0 0 96 0, 0.0 3,-2.9 0, 0.0 4,-0.4 -0.277 21.3-142.2 -51.4 101.6 9.5 -14.6 38.4 259 301 A W G >> S+ 0 0 35 -2,-0.5 3,-2.2 1,-0.3 4,-0.9 0.743 92.6 74.3 -37.1 -39.8 12.9 -12.9 38.9 260 302 A T G 34 S+ 0 0 105 1,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.790 89.9 59.9 -51.1 -27.9 14.2 -15.8 41.1 261 303 A K G <4 S+ 0 0 172 -3,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.826 99.8 60.4 -67.3 -30.5 14.4 -17.9 37.9 262 304 A V T <4 S+ 0 0 30 -3,-2.2 -2,-0.2 -4,-0.4 -1,-0.2 0.850 100.8 53.1 -65.6 -43.3 16.9 -15.2 36.6 263 305 A F S < S- 0 0 11 -4,-0.9 -47,-0.1 1,-0.1 3,-0.0 -0.400 95.5 -86.3 -95.3 171.5 19.6 -15.5 39.2 264 306 A R > - 0 0 110 -49,-0.2 3,-1.5 -2,-0.1 2,-0.3 -0.374 50.1-101.8 -71.1 155.3 21.6 -18.4 40.6 265 307 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.686 113.8 49.1 -78.3 135.7 20.1 -20.3 43.4 266 308 A R T 3 S+ 0 0 203 1,-0.6 -2,-0.0 -2,-0.3 0, 0.0 -0.078 79.7 130.3 119.5 -23.8 21.8 -19.1 46.6 267 309 A T < - 0 0 18 -3,-1.5 -1,-0.6 -7,-0.1 -4,-0.1 -0.399 68.3-105.9 -60.1 134.5 21.2 -15.5 45.5 268 310 A P > - 0 0 31 0, 0.0 4,-1.5 0, 0.0 3,-0.3 -0.348 15.0-131.0 -65.5 140.7 19.7 -13.6 48.5 269 311 A P H > S+ 0 0 97 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.834 106.6 59.2 -61.0 -31.3 16.0 -12.8 48.3 270 312 A E H > S+ 0 0 78 2,-0.2 4,-2.7 1,-0.2 27,-0.3 0.896 101.7 52.1 -64.3 -43.5 16.7 -9.1 49.2 271 313 A A H > S+ 0 0 0 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.909 112.8 45.0 -59.5 -44.0 19.0 -8.6 46.2 272 314 A I H X S+ 0 0 16 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.860 111.2 53.6 -68.8 -36.1 16.3 -9.9 43.8 273 315 A A H X S+ 0 0 41 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.925 110.0 47.9 -63.3 -45.3 13.7 -7.8 45.6 274 316 A L H X S+ 0 0 0 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.909 108.5 54.6 -62.4 -45.1 15.8 -4.7 45.1 275 317 A C H >X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 3,-1.3 0.937 106.9 50.0 -55.4 -48.9 16.4 -5.5 41.5 276 318 A S H 3< S+ 0 0 33 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.823 109.7 51.6 -61.0 -32.3 12.7 -5.7 40.8 277 319 A R H 3< S+ 0 0 106 -4,-1.4 10,-1.6 -3,-0.2 -1,-0.3 0.619 115.6 41.4 -80.6 -11.7 12.1 -2.4 42.5 278 320 A L H << S+ 0 0 0 -3,-1.3 2,-1.7 -4,-0.9 -2,-0.2 0.842 106.1 61.2 -97.9 -46.9 14.8 -0.7 40.4 279 321 A L S < S+ 0 0 2 -4,-2.9 2,-0.4 -5,-0.2 -1,-0.2 -0.560 74.7 143.9 -85.9 76.8 14.1 -2.2 37.0 280 322 A E - 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0 0 114 -6,-0.2 -6,-0.1 1,-0.1 -1,-0.1 -0.331 43.5 -95.9 -79.1 165.1 33.5 -17.4 -13.3 657 356 B T - 0 0 36 -8,-0.4 -1,-0.1 1,-0.1 3,-0.1 -0.380 44.6-101.4 -78.1 160.2 31.7 -14.6 -11.4 658 357 B P - 0 0 20 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.144 59.2 -61.7 -72.4 176.5 28.1 -15.3 -10.2 659 358 B A + 0 0 58 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.428 66.9 154.8 -60.2 128.6 25.0 -13.9 -12.0 660 359 B L + 0 0 2 -2,-0.1 -1,-0.2 -3,-0.1 -16,-0.0 0.515 64.2 42.7-133.5 -14.8 25.3 -10.1 -11.9 661 360 B F + 0 0 36 1,-0.1 2,-2.9 2,-0.1 -2,-0.1 0.377 69.4 112.4-118.0 1.0 23.4 -8.8 -14.8 662 361 B N + 0 0 83 17,-0.0 -1,-0.1 22,-0.0 17,-0.0 -0.143 49.9 169.4 -73.4 50.9 20.2 -10.8 -14.9 663 362 B F - 0 0 23 -2,-2.9 2,-0.2 12,-0.1 -2,-0.1 -0.288 20.9-149.7 -63.9 145.3 18.2 -7.6 -13.9 664 363 B T > - 0 0 71 1,-0.1 4,-1.7 0, 0.0 5,-0.2 -0.720 27.9-108.7-111.0 166.5 14.4 -7.7 -14.1 665 364 B T H > S+ 0 0 124 -2,-0.2 4,-1.4 1,-0.2 3,-0.1 0.905 120.0 56.0 -59.4 -41.8 12.0 -4.8 -14.8 666 365 B Q H >4 S+ 0 0 69 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.935 107.1 50.2 -53.6 -49.2 10.9 -4.8 -11.2 667 366 B E H 34 S+ 0 0 4 1,-0.2 3,-0.4 2,-0.1 -1,-0.2 0.831 115.1 41.4 -59.9 -37.2 14.5 -4.3 -10.2 668 367 B L H >< S+ 0 0 21 -4,-1.7 3,-2.2 1,-0.2 -1,-0.2 0.541 82.5 101.6 -90.3 -8.5 15.1 -1.4 -12.5 669 368 B S T << S+ 0 0 60 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.1 0.806 71.5 68.8 -45.4 -36.5 11.8 0.3 -11.9 670 369 B S T 3 S- 0 0 68 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.1 0.875 130.7 -12.8 -50.0 -42.6 13.6 2.7 -9.6 671 370 B N X - 0 0 49 -3,-2.2 3,-2.1 -4,-0.1 -1,-0.2 -0.430 64.8-171.7-167.1 79.5 15.4 4.2 -12.7 672 371 B P G > S+ 0 0 77 0, 0.0 3,-2.6 0, 0.0 4,-0.3 0.798 79.4 71.3 -45.1 -45.1 15.2 2.3 -16.0 673 372 B P G > S+ 0 0 92 0, 0.0 3,-0.8 0, 0.0 4,-0.1 0.673 84.9 73.1 -52.3 -14.0 17.7 4.4 -18.0 674 373 B L G X> S+ 0 0 26 -3,-2.1 4,-2.7 1,-0.2 3,-2.3 0.673 71.9 83.5 -76.4 -15.8 20.4 2.9 -15.8 675 374 B A H <> S+ 0 0 28 -3,-2.6 4,-2.7 1,-0.3 -1,-0.2 0.849 77.0 70.6 -54.0 -35.1 20.1 -0.5 -17.6 676 375 B T H <4 S+ 0 0 114 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.1 0.718 114.1 25.5 -57.2 -21.9 22.4 1.0 -20.3 677 376 B I H <4 S+ 0 0 74 -3,-2.3 -2,-0.2 -4,-0.1 -1,-0.2 0.755 117.9 57.7-106.7 -43.2 25.3 0.8 -17.7 678 377 B L H < S+ 0 0 0 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.832 105.9 54.3 -58.4 -34.0 24.1 -2.0 -15.4 679 378 B I S < S- 0 0 62 -4,-2.7 -1,-0.2 -5,-0.2 -18,-0.1 -0.812 87.5-147.0-107.8 95.7 23.9 -4.4 -18.4 680 379 B P > - 0 0 8 0, 0.0 3,-1.0 0, 0.0 -3,-0.1 -0.142 25.8-103.5 -58.8 152.4 27.3 -4.4 -20.1 681 380 B P T 3 S+ 0 0 135 0, 0.0 -4,-0.0 0, 0.0 -2,-0.0 0.821 118.8 44.8 -42.7 -49.8 27.6 -4.9 -23.9 682 381 B H T 3 S+ 0 0 86 -37,-0.2 2,-0.2 2,-0.0 -36,-0.0 0.734 85.7 110.1 -73.7 -25.9 28.7 -8.6 -23.7 683 382 B A < 0 0 14 -3,-1.0 -38,-0.0 1,-0.1 -4,-0.0 -0.350 360.0 360.0 -58.4 122.0 26.1 -9.7 -21.1 684 383 B R 0 0 263 -2,-0.2 -1,-0.1 -22,-0.0 -5,-0.0 0.872 360.0 360.0 -51.6 360.0 23.5 -12.0 -22.5