==== 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 01-AUG-03 1Q41 . 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, . 682 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31606.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 415 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 . 100 14.7 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 36 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 7 2 1 2 1 2 2 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 . 0 6 1 1 5 3 2 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 0 137 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.8 62.0 12.6 34.7 2 36 A K - 0 0 181 1,-0.1 22,-0.5 21,-0.0 2,-0.4 -0.211 360.0-161.6 -53.9 130.1 59.8 15.3 33.1 3 37 A V - 0 0 75 20,-0.1 2,-0.5 21,-0.1 20,-0.2 -0.966 3.0-157.0-120.2 128.5 58.0 17.6 35.5 4 38 A T E -A 22 0A 49 18,-2.8 18,-2.5 -2,-0.4 2,-0.5 -0.904 7.4-171.8-108.5 129.9 55.0 19.8 34.5 5 39 A T E +A 21 0A 75 -2,-0.5 2,-0.3 16,-0.2 16,-0.2 -0.983 11.9 167.3-122.4 128.3 54.1 22.9 36.5 6 40 A V E -A 20 0A 24 14,-2.5 14,-2.7 -2,-0.5 2,-0.6 -0.873 37.1-119.1-133.2 163.9 50.8 24.7 35.9 7 41 A V E -A 19 0A 94 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.942 43.5-174.3-107.7 117.8 48.8 27.4 37.7 8 42 A A E -A 18 0A 2 10,-3.0 10,-2.4 -2,-0.6 74,-0.2 -0.830 27.4-121.5-121.0 155.6 45.4 26.0 38.5 9 43 A T E -B 81 0A 28 72,-2.4 72,-1.6 -2,-0.3 6,-0.1 -0.749 40.5-108.7 -89.3 133.0 42.1 27.1 39.9 10 44 A P E -B 80 0A 13 0, 0.0 70,-0.3 0, 0.0 69,-0.1 -0.260 24.1-121.6 -59.8 145.1 40.9 25.2 43.0 11 45 A G S S- 0 0 2 68,-3.8 69,-0.1 1,-0.1 68,-0.1 0.898 92.9 -12.6 -56.3 -44.2 38.0 22.9 42.5 12 46 A Q S S+ 0 0 76 67,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.634 106.9 89.0-136.7 -19.3 35.7 24.5 45.0 13 47 A G S S- 0 0 45 1,-0.2 2,-0.1 3,-0.1 -4,-0.0 0.291 93.5 -56.3 -67.6-158.1 37.2 27.0 47.4 14 48 A P S S- 0 0 108 0, 0.0 2,-1.9 0, 0.0 -1,-0.2 -0.472 73.4 -86.0 -75.6 159.8 37.6 30.8 46.7 15 49 A D S S+ 0 0 93 -2,-0.1 -6,-0.1 -3,-0.1 -4,-0.0 -0.460 71.2 147.8 -73.0 84.3 39.5 31.5 43.4 16 50 A R - 0 0 185 -2,-1.9 -8,-0.1 -8,-0.0 -3,-0.1 -0.880 44.7-132.3-119.8 96.9 43.1 31.4 44.8 17 51 A P - 0 0 82 0, 0.0 2,-0.3 0, 0.0 -8,-0.2 -0.076 23.9-162.8 -48.3 140.9 45.4 30.1 42.0 18 52 A Q E -A 8 0A 80 -10,-2.4 -10,-3.0 2,-0.0 2,-0.6 -0.954 20.7-119.6-130.2 150.8 47.9 27.4 43.1 19 53 A E E -A 7 0A 155 -2,-0.3 2,-0.5 -12,-0.2 -12,-0.2 -0.791 32.2-170.9 -91.1 123.7 51.0 26.0 41.5 20 54 A V E -A 6 0A 6 -14,-2.7 -14,-2.5 -2,-0.6 2,-0.4 -0.973 5.6-172.5-120.9 126.4 50.7 22.3 40.7 21 55 A S E +A 5 0A 26 -2,-0.5 21,-2.3 -16,-0.2 22,-0.4 -0.962 13.2 166.0-117.6 131.9 53.6 20.2 39.6 22 56 A Y E +AC 4 41A 27 -18,-2.5 -18,-2.8 -2,-0.4 19,-0.2 -0.926 9.5 177.4-142.4 167.2 53.2 16.6 38.5 23 57 A T E + C 0 40A 12 17,-2.6 17,-2.9 -2,-0.3 -20,-0.1 -0.814 49.9 62.7-150.8-171.7 55.0 13.8 36.7 24 58 A D E - 0 0 90 -22,-0.5 2,-0.3 -2,-0.2 -1,-0.1 0.893 65.7-172.9 48.1 55.2 54.8 10.1 35.5 25 59 A T E + 0 0 74 14,-0.1 2,-0.3 -3,-0.1 14,-0.2 -0.586 13.5 158.2 -83.6 135.1 51.9 10.6 33.1 26 60 A K E - C 0 38A 117 12,-1.7 12,-2.4 -2,-0.3 2,-0.3 -0.992 43.1-103.5-153.5 146.6 50.1 7.7 31.4 27 61 A V E + C 0 37A 79 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.534 36.4 166.4 -73.1 132.6 46.8 7.1 29.8 28 62 A I E + 0 0 75 8,-2.4 2,-0.3 1,-0.4 9,-0.2 0.417 68.3 18.1-121.0 -9.8 44.4 5.0 31.9 29 63 A G E - C 0 36A 27 7,-1.5 7,-2.6 2,-0.0 -1,-0.4 -0.966 59.3-174.2-163.3 144.4 41.3 5.6 30.0 30 64 A N + 0 0 126 -2,-0.3 2,-0.3 5,-0.2 5,-0.1 -0.801 13.9 150.0-132.4 175.0 40.1 6.9 26.7 31 65 A G - 0 0 34 -2,-0.3 -2,-0.0 1,-0.1 531,-0.0 -0.924 61.0 -86.7 170.4 168.5 36.8 7.7 25.1 32 66 A S S S+ 0 0 22 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.840 122.6 60.1 -63.4 -30.3 35.1 9.9 22.5 33 67 A F S S- 0 0 53 1,-0.2 21,-0.4 -3,-0.1 2,-0.3 0.979 121.0 -68.4 -59.4 -64.9 34.8 12.5 25.3 34 68 A G - 0 0 15 19,-0.1 -1,-0.2 2,-0.0 19,-0.2 -0.850 55.1 -72.4 171.5 155.9 38.5 13.0 26.1 35 69 A V - 0 0 33 17,-0.4 17,-2.8 -2,-0.3 2,-0.5 -0.320 32.6-150.7 -68.1 138.1 41.5 11.2 27.6 36 70 A V E -CD 29 51A 41 -7,-2.6 -8,-2.4 15,-0.2 -7,-1.5 -0.946 17.7-168.7-111.5 125.0 41.9 10.4 31.3 37 71 A Y E -CD 27 50A 58 13,-3.2 13,-2.7 -2,-0.5 2,-0.4 -0.740 18.8-137.8-110.7 159.5 45.4 10.3 32.6 38 72 A Q E +CD 26 49A 20 -12,-2.4 -12,-1.7 -2,-0.3 2,-0.3 -0.855 32.8 173.0-106.8 148.5 46.9 9.1 35.8 39 73 A A E - D 0 48A 0 9,-2.2 9,-2.9 -2,-0.4 2,-0.5 -0.978 28.7-124.8-154.4 159.9 49.7 11.4 37.2 40 74 A K E -CD 23 47A 67 -17,-2.9 -17,-2.6 -2,-0.3 2,-0.3 -0.947 22.0-130.3-115.2 124.0 51.8 11.8 40.3 41 75 A L E > -C 22 0A 7 5,-3.2 4,-1.4 -2,-0.5 -19,-0.3 -0.569 15.9-140.3 -71.9 129.6 52.0 15.0 42.2 42 76 A C T 4 S+ 0 0 45 -21,-2.3 -1,-0.1 -2,-0.3 -20,-0.1 0.928 92.6 46.5 -55.3 -53.7 55.6 16.0 42.8 43 77 A D T 4 S+ 0 0 124 -22,-0.4 -1,-0.1 1,-0.2 -21,-0.0 0.982 127.5 19.5 -55.2 -81.0 55.2 17.2 46.3 44 78 A S T 4 S- 0 0 73 1,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.578 93.8-131.4 -70.7 -9.5 53.2 14.6 48.2 45 79 A G < + 0 0 30 -4,-1.4 2,-0.1 1,-0.2 -3,-0.1 0.608 57.4 150.3 67.7 8.4 54.0 11.9 45.6 46 80 A E - 0 0 75 -6,-0.1 -5,-3.2 -5,-0.1 -1,-0.2 -0.447 45.9-118.8 -77.3 146.7 50.2 11.3 45.5 47 81 A L E +D 40 0A 68 -7,-0.2 48,-0.6 -2,-0.1 2,-0.3 -0.585 34.0 173.0 -86.6 143.7 48.4 10.0 42.4 48 82 A V E -DE 39 94A 1 -9,-2.9 -9,-2.2 -2,-0.2 2,-0.4 -0.906 27.7-121.7-140.0 169.4 45.6 11.9 40.7 49 83 A A E -DE 38 93A 9 44,-3.3 44,-3.6 -2,-0.3 2,-0.5 -0.907 18.0-158.7-113.5 144.3 43.6 11.6 37.5 50 84 A I E -DE 37 92A 5 -13,-2.7 -13,-3.2 -2,-0.4 2,-0.7 -0.979 1.6-162.1-125.1 117.1 43.6 14.3 34.8 51 85 A K E -DE 36 91A 10 40,-2.6 40,-2.7 -2,-0.5 2,-0.5 -0.891 11.9-167.7-102.4 118.7 40.6 14.3 32.4 52 86 A K E + E 0 90A 57 -17,-2.8 -17,-0.4 -2,-0.7 2,-0.3 -0.922 12.4 165.6-112.9 124.6 41.5 16.4 29.4 53 87 A V E - E 0 89A 12 36,-2.2 36,-2.8 -2,-0.5 2,-0.1 -0.952 42.5 -97.2-135.3 156.0 38.9 17.5 26.8 54 88 A L E - E 0 88A 99 -21,-0.4 2,-0.6 -2,-0.3 34,-0.2 -0.460 39.7-145.0 -68.6 138.0 38.8 20.0 24.0 55 89 A Q - 0 0 25 32,-2.5 -1,-0.1 -2,-0.1 5,-0.0 -0.873 4.3-149.8-119.6 108.7 37.1 23.2 25.1 56 90 A D - 0 0 46 -2,-0.6 3,-0.1 1,-0.1 5,-0.1 -0.277 11.7-141.0 -66.2 150.5 35.0 25.3 22.8 57 91 A K S S+ 0 0 144 1,-0.2 -1,-0.1 3,-0.1 3,-0.1 0.477 93.5 73.9 -92.7 -0.4 34.9 29.0 23.3 58 92 A R S S+ 0 0 85 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.901 107.8 17.0 -76.0 -42.8 31.1 29.1 22.6 59 93 A F S S- 0 0 148 -3,-0.1 2,-0.3 536,-0.0 -1,-0.1 -0.853 78.2-110.8-128.9 164.0 30.1 27.6 25.9 60 94 A K - 0 0 109 -2,-0.3 2,-0.3 1,-0.1 -3,-0.1 -0.695 57.0 -88.7 -88.0 145.6 31.6 27.0 29.3 61 95 A N > - 0 0 24 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.393 32.4-152.6 -61.3 120.1 32.2 23.2 29.9 62 96 A R H > S+ 0 0 124 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.865 94.1 53.7 -63.3 -36.9 29.0 21.6 31.5 63 97 A E H > S+ 0 0 12 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.931 109.7 50.3 -62.8 -43.4 30.9 18.8 33.3 64 98 A L H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.928 109.5 48.6 -59.9 -49.7 33.1 21.5 34.9 65 99 A Q H X S+ 0 0 71 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.912 114.3 46.9 -61.0 -42.3 30.2 23.6 36.1 66 100 A I H >< S+ 0 0 16 -4,-2.2 3,-0.7 1,-0.2 4,-0.3 0.931 112.4 49.0 -66.1 -43.0 28.5 20.6 37.6 67 101 A M H >< S+ 0 0 3 -4,-2.8 3,-0.7 1,-0.2 11,-0.4 0.731 99.1 65.8 -71.8 -19.1 31.6 19.2 39.3 68 102 A R H 3< S+ 0 0 80 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.825 105.7 45.6 -70.7 -27.5 32.5 22.5 40.9 69 103 A K T << S+ 0 0 103 -4,-0.8 2,-0.4 -3,-0.7 -1,-0.2 0.457 94.5 95.4 -94.8 2.2 29.3 22.3 43.0 70 104 A L < + 0 0 6 -3,-0.7 8,-0.3 -4,-0.3 2,-0.3 -0.767 37.4 164.6 -98.9 137.9 29.6 18.6 44.0 71 105 A D + 0 0 114 -2,-0.4 2,-0.3 6,-0.1 5,-0.1 -0.843 23.0 129.3-148.4 104.2 31.1 17.4 47.3 72 106 A H > - 0 0 23 3,-0.4 3,-1.6 -2,-0.3 -2,-0.0 -0.966 59.6-124.1-161.3 142.7 30.5 13.8 48.4 73 107 A C T 3 S+ 0 0 52 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.737 111.8 50.4 -60.8 -25.9 32.5 10.8 49.6 74 108 A N T 3 S+ 0 0 3 84,-0.1 85,-2.4 2,-0.1 2,-0.4 0.039 100.3 72.2-103.8 27.9 31.0 8.6 46.8 75 109 A I B < S-g 159 0B 6 -3,-1.6 -3,-0.4 83,-0.3 85,-0.2 -0.997 91.9-106.2-139.3 134.2 31.8 11.0 43.9 76 110 A V - 0 0 7 83,-2.4 2,-0.3 -2,-0.4 -2,-0.1 -0.342 41.7-120.7 -64.1 135.4 35.2 11.6 42.6 77 111 A R - 0 0 109 -4,-0.1 17,-1.2 -6,-0.1 2,-0.8 -0.599 6.0-136.5 -85.8 135.3 36.5 15.1 43.7 78 112 A L E + F 0 93A 1 -11,-0.4 15,-0.2 -2,-0.3 3,-0.1 -0.794 26.7 175.4 -84.5 111.3 37.5 17.8 41.3 79 113 A R E - 0 0 35 13,-2.8 -68,-3.8 -2,-0.8 -67,-0.3 0.937 60.4 -18.5 -81.8 -51.2 40.7 19.2 43.0 80 114 A Y E -BF 10 92A 45 12,-1.2 12,-3.2 -70,-0.3 -1,-0.3 -0.923 52.6-154.9-148.0 170.5 41.7 21.7 40.3 81 115 A F E +BF 9 91A 8 -72,-1.6 -72,-2.4 -2,-0.3 2,-0.3 -0.980 16.9 166.0-150.7 143.8 41.2 22.7 36.7 82 116 A F E - F 0 90A 13 8,-1.7 8,-2.5 -2,-0.3 2,-0.3 -0.978 28.7-118.7-153.9 158.8 43.3 24.7 34.2 83 117 A Y E + F 0 89A 89 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.719 36.4 153.5-104.2 155.5 43.5 25.3 30.5 84 118 A S E F 0 88A 37 4,-2.0 4,-4.1 -2,-0.3 -2,-0.0 -0.924 360.0 360.0-160.6-176.9 46.3 24.4 28.1 85 119 A S 0 0 129 -2,-0.3 4,-0.0 2,-0.2 0, 0.0 -0.600 360.0 360.0 174.9 360.0 47.2 23.6 24.5 86 ! 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 87 126 A V 0 0 77 0, 0.0 -32,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 130.1 42.7 24.9 23.8 88 127 A Y E -EF 54 84A 92 -4,-4.1 -4,-2.0 -34,-0.2 2,-0.5 -0.902 360.0-143.0-116.6 139.7 42.1 22.1 26.4 89 128 A L E -EF 53 83A 0 -36,-2.8 -36,-2.2 -2,-0.4 2,-0.5 -0.835 20.5-160.7 -94.2 129.5 40.3 22.0 29.7 90 129 A N E -EF 52 82A 5 -8,-2.5 -8,-1.7 -2,-0.5 2,-0.6 -0.968 4.2-163.0-116.5 123.0 42.1 19.8 32.2 91 130 A L E -EF 51 81A 0 -40,-2.7 -40,-2.6 -2,-0.5 2,-0.6 -0.924 7.8-152.4-106.7 122.7 40.2 18.5 35.2 92 131 A V E +EF 50 80A 4 -12,-3.2 -13,-2.8 -2,-0.6 -12,-1.2 -0.857 28.8 167.9 -97.5 120.3 42.4 17.2 38.1 93 132 A L E -EF 49 78A 13 -44,-3.6 -44,-3.3 -2,-0.6 -15,-0.2 -0.809 40.6 -79.5-129.8 167.2 40.6 14.6 40.0 94 133 A D E -E 48 0A 20 -17,-1.2 2,-0.4 -2,-0.3 -46,-0.2 -0.303 45.9-131.8 -62.1 153.1 41.1 11.9 42.7 95 134 A Y - 0 0 62 -48,-0.6 -48,-0.1 -47,-0.1 -1,-0.1 -0.879 21.9-175.0-108.8 140.2 42.6 8.7 41.3 96 135 A V - 0 0 18 -2,-0.4 55,-0.1 1,-0.0 54,-0.1 -0.997 21.0-140.3-131.6 134.3 41.0 5.3 42.2 97 136 A P S S+ 0 0 49 0, 0.0 2,-0.3 0, 0.0 54,-0.1 0.664 73.9 38.8 -75.3 -15.6 42.8 2.1 41.0 98 137 A E E -H 150 0B 34 52,-1.5 52,-2.7 4,-0.0 2,-0.3 -0.841 58.7-152.0-131.3 169.1 40.0 -0.1 40.0 99 138 A T E > -H 149 0B 26 50,-0.3 4,-2.5 -2,-0.3 50,-0.2 -0.946 30.8-119.5-134.0 154.4 36.6 -0.0 38.3 100 139 A V H > S+ 0 0 3 48,-2.6 4,-3.1 45,-0.7 5,-0.3 0.858 114.9 60.7 -60.4 -35.5 33.6 -2.2 38.7 101 140 A Y H > S+ 0 0 86 44,-1.3 4,-1.8 47,-0.3 -1,-0.2 0.952 108.7 40.0 -56.2 -53.0 34.0 -3.1 35.0 102 141 A R H > S+ 0 0 99 2,-0.2 4,-2.1 43,-0.2 -2,-0.2 0.923 116.9 49.6 -64.5 -45.9 37.5 -4.6 35.5 103 142 A V H X S+ 0 0 23 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.957 111.3 48.3 -61.3 -48.4 36.6 -6.3 38.7 104 143 A A H X S+ 0 0 23 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.876 110.9 51.7 -59.4 -37.0 33.5 -7.9 37.3 105 144 A R H X S+ 0 0 89 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.866 105.1 56.0 -68.2 -36.0 35.4 -9.1 34.2 106 145 A H H < S+ 0 0 93 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.939 113.9 39.6 -61.0 -46.1 38.1 -10.7 36.4 107 146 A Y H ><>S+ 0 0 67 -4,-1.9 5,-2.6 1,-0.2 3,-1.4 0.926 114.0 54.4 -68.9 -43.7 35.5 -12.8 38.2 108 147 A S H ><5S+ 0 0 53 -4,-2.7 3,-1.5 1,-0.3 -2,-0.2 0.885 107.1 48.0 -59.3 -44.2 33.5 -13.5 35.1 109 148 A R T 3<5S+ 0 0 159 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.464 109.5 55.6 -80.8 5.9 36.3 -14.9 33.1 110 149 A A T < 5S- 0 0 46 -3,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.174 117.2-113.9-114.7 13.0 37.2 -17.1 36.0 111 150 A K T < 5S+ 0 0 200 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.803 80.8 109.0 58.9 33.5 33.7 -18.5 36.1 112 151 A Q < - 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0 0 17 -5,-2.7 -1,-0.2 1,-0.1 3,-0.1 -0.304 22.4-173.7 -67.4 147.2 11.3 9.6 25.1 193 232 A T S S+ 0 0 51 1,-0.1 -19,-1.8 -17,-0.1 -1,-0.1 0.287 79.1 67.2-117.7 1.8 12.6 13.1 25.6 194 233 A D S S+ 0 0 121 51,-0.2 -23,-0.1 -21,-0.2 -1,-0.1 0.039 72.2 137.9-110.3 26.0 10.6 13.8 28.8 195 234 A Y - 0 0 13 -21,-0.2 2,-0.2 -3,-0.1 50,-0.0 -0.220 39.4-143.0 -69.7 162.2 12.4 11.2 31.0 196 235 A T > - 0 0 73 -26,-0.0 3,-1.7 -28,-0.0 4,-0.2 -0.487 38.1 -79.9-114.2-175.3 13.4 11.9 34.7 197 236 A S T >> S+ 0 0 22 1,-0.3 3,-1.7 -2,-0.2 4,-0.6 0.586 111.1 87.2 -63.8 -12.2 16.3 11.0 36.9 198 237 A S H 3> + 0 0 19 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.587 69.0 76.8 -68.2 -6.1 14.8 7.6 37.4 199 238 A I H <> S+ 0 0 0 -3,-1.7 4,-2.1 1,-0.2 -1,-0.3 0.834 91.9 54.9 -69.6 -26.9 16.7 6.5 34.2 200 239 A D H <> S+ 0 0 0 -3,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.833 104.0 54.2 -70.2 -34.4 19.8 6.3 36.5 201 240 A V H X S+ 0 0 3 -4,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.914 107.1 49.1 -67.1 -42.5 17.9 4.0 38.8 202 241 A W H X S+ 0 0 1 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.945 111.8 50.4 -59.5 -47.8 17.2 1.6 35.9 203 242 A S H X S+ 0 0 1 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.906 109.1 50.5 -56.7 -44.0 20.9 1.7 35.0 204 243 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.899 107.9 53.6 -62.3 -40.5 21.9 1.0 38.6 205 244 A G H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.866 106.0 53.4 -60.2 -37.0 19.5 -2.0 38.6 206 245 A C H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 11,-0.4 0.881 108.9 49.3 -66.4 -36.0 21.2 -3.3 35.5 207 246 A V H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.924 111.4 48.4 -69.0 -44.7 24.6 -3.1 37.2 208 247 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.963 112.6 47.9 -58.4 -52.5 23.3 -4.9 40.3 209 248 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 6,-0.2 0.908 111.4 52.2 -55.4 -42.5 21.7 -7.7 38.1 210 249 A E H X S+ 0 0 25 -4,-2.1 4,-2.8 1,-0.2 5,-0.4 0.852 108.3 49.3 -62.6 -40.1 25.0 -8.0 36.2 211 250 A L H < S+ 0 0 9 -4,-2.2 -97,-0.5 2,-0.2 -1,-0.2 0.865 114.7 46.0 -68.8 -34.4 27.1 -8.4 39.3 212 251 A L H < S+ 0 0 11 -4,-2.2 49,-0.2 -5,-0.2 -2,-0.2 0.915 120.6 38.5 -73.2 -41.6 24.7 -11.1 40.5 213 252 A L H < S- 0 0 50 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.793 98.8-125.5 -81.0 -34.0 24.6 -12.9 37.2 214 253 A G S < S+ 0 0 22 -4,-2.8 -3,-0.1 -5,-0.2 -4,-0.1 0.422 86.8 49.8 98.8 -2.0 28.2 -12.6 35.9 215 254 A Q S S- 0 0 130 -5,-0.4 -2,-0.2 -6,-0.2 -1,-0.2 -0.974 102.7 -69.5-158.9 161.8 27.0 -11.1 32.6 216 255 A P - 0 0 33 0, 0.0 -9,-0.1 0, 0.0 -33,-0.0 -0.233 37.4-147.1 -55.7 139.8 24.8 -8.2 31.4 217 256 A I S S+ 0 0 19 -11,-0.4 -10,-0.0 1,-0.2 -11,-0.0 0.832 89.2 33.3 -83.1 -27.7 21.1 -8.9 32.0 218 257 A F S S+ 0 0 4 -36,-0.2 -1,-0.2 -12,-0.1 12,-0.1 -0.461 79.1 163.0-125.4 63.3 19.7 -7.1 29.0 219 258 A P + 0 0 44 0, 0.0 10,-0.3 0, 0.0 2,-0.2 -0.228 6.9 134.3 -76.0 170.4 22.2 -7.4 26.1 220 259 A G - 0 0 13 8,-0.1 6,-0.1 9,-0.1 -2,-0.0 -0.544 51.5-130.1 154.4 141.2 21.4 -6.8 22.4 221 260 A D S S+ 0 0 45 -2,-0.2 302,-3.5 301,-0.1 2,-0.3 0.657 94.5 41.5 -83.6 -18.9 22.9 -5.0 19.4 222 261 A S S > S- 0 0 4 300,-0.3 4,-2.3 1,-0.1 300,-0.2 -0.862 87.3-114.2-123.8 162.6 19.7 -3.2 18.5 223 262 A G H > S+ 0 0 10 296,-0.6 4,-2.8 298,-0.5 5,-0.2 0.892 119.2 55.6 -60.5 -37.9 17.0 -1.5 20.6 224 263 A V H > S+ 0 0 20 295,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.940 107.3 47.3 -60.2 -48.9 14.6 -4.3 19.4 225 264 A D H > S+ 0 0 23 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.914 112.3 50.8 -60.8 -39.1 16.9 -7.0 20.7 226 265 A Q H X S+ 0 0 16 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.939 108.6 50.7 -62.5 -48.1 17.3 -5.2 24.0 227 266 A L H X S+ 0 0 3 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.849 106.9 55.5 -60.4 -34.2 13.5 -4.9 24.4 228 267 A V H X S+ 0 0 26 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.917 108.0 47.5 -66.3 -40.4 13.1 -8.6 23.8 229 268 A E H X S+ 0 0 48 -4,-1.8 4,-0.9 -10,-0.3 -2,-0.2 0.883 113.3 49.8 -66.7 -35.3 15.5 -9.5 26.6 230 269 A I H >X S+ 0 0 2 -4,-2.1 4,-3.2 2,-0.2 3,-0.6 0.928 110.1 49.5 -68.0 -43.2 13.7 -7.1 28.8 231 270 A I H 3X S+ 0 0 10 -4,-2.7 4,-2.7 1,-0.2 23,-0.2 0.902 102.3 61.7 -64.5 -39.2 10.3 -8.5 27.9 232 271 A K H 3< S+ 0 0 80 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.834 117.4 31.1 -56.1 -31.3 11.5 -12.1 28.6 233 272 A V H << S+ 0 0 16 -4,-0.9 21,-1.3 -3,-0.6 -2,-0.2 0.910 130.6 30.9 -94.2 -47.8 12.1 -11.0 32.2 234 273 A L H < S- 0 0 33 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.622 104.5-126.6 -86.7 -14.8 9.5 -8.3 32.9 235 274 A G < - 0 0 3 -4,-2.7 17,-0.2 -5,-0.4 -1,-0.2 -0.185 51.3 -33.3 88.9 170.4 6.8 -9.7 30.7 236 275 A T - 0 0 50 15,-1.7 17,-0.1 1,-0.1 14,-0.1 -0.434 68.9-112.7 -69.0 131.2 5.0 -7.7 28.0 237 276 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.365 30.5-123.5 -61.3 137.5 4.5 -4.0 28.8 238 277 A T > - 0 0 74 1,-0.1 4,-2.3 -2,-0.0 5,-0.2 -0.382 26.9-107.1 -76.9 163.7 0.8 -3.1 29.3 239 278 A R H > S+ 0 0 210 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.872 123.6 52.3 -59.4 -35.3 -0.6 -0.4 27.0 240 279 A E H > S+ 0 0 81 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.904 106.5 51.5 -67.4 -42.9 -0.6 1.9 30.1 241 280 A Q H > S+ 0 0 43 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.917 108.3 51.9 -61.2 -42.9 3.1 1.1 30.9 242 281 A I H < S+ 0 0 84 -4,-2.3 3,-0.2 1,-0.2 -1,-0.2 0.908 107.7 53.8 -59.2 -40.8 4.1 2.0 27.4 243 282 A R H < S+ 0 0 170 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.914 107.4 49.6 -59.5 -45.6 2.2 5.3 27.8 244 283 A E H < 0 0 83 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.765 360.0 360.0 -66.6 -26.2 4.2 6.1 30.9 245 284 A M < 0 0 18 -4,-1.6 -2,-0.2 -3,-0.2 -51,-0.2 0.904 360.0 360.0 -83.2 360.0 7.5 5.4 29.2 246 ! 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 0.0 247 292 A K 0 0 129 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 36.2 4.7 -5.1 17.9 248 293 A F - 0 0 51 1,-0.1 2,-0.2 3,-0.0 -12,-0.0 -0.634 360.0 -93.3 -95.3 149.7 6.4 -7.5 20.3 249 294 A P - 0 0 81 0, 0.0 2,-2.7 0, 0.0 -1,-0.1 -0.392 40.7-118.5 -61.4 125.0 5.5 -11.2 21.1 250 295 A Q + 0 0 148 -2,-0.2 2,-0.2 -14,-0.1 -2,-0.0 -0.290 48.8 162.9 -66.4 61.8 3.2 -11.3 24.2 251 296 A I - 0 0 65 -2,-2.7 -15,-1.7 1,-0.1 3,-0.1 -0.563 29.8-131.5 -79.3 148.6 5.5 -13.4 26.5 252 297 A K - 0 0 162 -17,-0.2 2,-0.3 -2,-0.2 -17,-0.3 -0.081 38.2 -44.6 -92.7-167.5 4.4 -13.1 30.1 253 298 A A - 0 0 82 -19,-0.1 -19,-0.2 -18,-0.1 -1,-0.2 -0.425 49.9-146.7 -65.1 119.7 6.0 -12.5 33.6 254 299 A H - 0 0 62 -21,-1.3 2,-0.6 -2,-0.3 5,-0.1 -0.789 23.7-116.4 -91.9 115.1 9.3 -14.4 34.2 255 300 A P >> - 0 0 89 0, 0.0 3,-3.7 0, 0.0 4,-0.5 -0.280 20.7-143.4 -52.5 99.1 9.8 -15.4 37.8 256 301 A W H >> S+ 0 0 33 -2,-0.6 3,-1.3 1,-0.3 4,-0.9 0.719 97.2 70.5 -37.1 -27.7 12.9 -13.4 38.6 257 302 A T H 34 S+ 0 0 104 1,-0.3 -1,-0.3 2,-0.2 3,-0.3 0.853 90.9 57.4 -62.3 -34.6 13.9 -16.4 40.7 258 303 A K H <4 S+ 0 0 169 -3,-3.7 -1,-0.3 1,-0.2 -2,-0.2 0.650 98.5 66.8 -69.3 -15.1 14.5 -18.4 37.5 259 304 A V H << S+ 0 0 26 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.925 95.5 52.0 -74.5 -46.3 16.9 -15.6 36.5 260 305 A F S < S- 0 0 14 -4,-0.9 3,-0.1 -3,-0.3 -47,-0.1 -0.452 91.7 -90.0 -96.9 165.2 19.7 -16.0 39.1 261 306 A R > - 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