==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 31-JAN-12 4DIT . COMPND 2 MOLECULE: GLYCOGEN SYNTHASE KINASE-3 BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.T.KIM,S.C.LEE,H.J.CHANG . 329 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17491.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 61.4 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 . 48 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 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 . 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 . 19 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 3 1 2 1 1 1 0 0 1 0 0 1 0 0 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 . 0 3 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 0 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 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 0 159 0, 0.0 2,-0.2 0, 0.0 22,-0.0 0.000 360.0 360.0 360.0 -3.3 3.4 17.2 -9.4 2 36 A K - 0 0 151 2,-0.0 23,-0.4 0, 0.0 22,-0.3 -0.619 360.0-164.8-164.6 96.4 3.0 15.4 -6.0 3 37 A V - 0 0 81 -2,-0.2 2,-0.3 20,-0.1 20,-0.2 -0.457 4.8-164.2 -85.0 158.1 5.9 15.3 -3.6 4 38 A T E -A 22 0A 37 18,-1.4 18,-1.7 -2,-0.1 2,-0.5 -0.886 3.5-168.0-145.6 106.7 6.2 13.0 -0.7 5 39 A T E +A 21 0A 88 -2,-0.3 16,-0.3 16,-0.2 2,-0.3 -0.869 18.8 164.5-101.1 126.6 8.8 13.7 2.0 6 40 A V E -A 20 0A 28 14,-3.3 14,-3.1 -2,-0.5 2,-0.9 -0.825 45.1-100.0-134.5 171.9 9.5 10.9 4.5 7 41 A V E +A 19 0A 96 -2,-0.3 76,-0.4 12,-0.2 2,-0.3 -0.847 50.9 178.2 -98.3 103.3 12.0 9.9 7.2 8 42 A A E -A 18 0A 1 10,-2.2 10,-2.6 -2,-0.9 74,-0.2 -0.754 22.6-143.1-108.5 153.2 14.1 7.2 5.5 9 43 A T E -B 81 0A 15 72,-1.8 72,-1.0 -2,-0.3 6,-0.1 -0.948 30.5-107.5-116.6 130.9 17.1 5.2 6.7 10 44 A P E -B 80 0A 34 0, 0.0 70,-0.3 0, 0.0 6,-0.1 -0.271 21.9-132.8 -55.7 140.7 19.9 4.4 4.3 11 45 A G S S+ 0 0 0 68,-2.5 2,-0.4 67,-0.2 69,-0.1 0.847 93.6 39.9 -64.2 -36.2 20.0 0.7 3.4 12 46 A Q S S+ 0 0 82 67,-0.4 -1,-0.1 66,-0.2 57,-0.1 -0.953 101.6 36.7-118.3 133.5 23.7 0.4 4.1 13 47 A G S S- 0 0 42 -2,-0.4 3,-0.1 55,-0.2 2,-0.0 -0.378 98.1 -31.6 116.7 165.0 25.3 2.1 7.0 14 48 A P S S- 0 0 92 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.305 79.3 -92.9 -56.8 127.8 24.7 3.0 10.7 15 49 A D + 0 0 112 1,-0.1 -6,-0.1 -6,-0.1 -4,-0.1 -0.202 67.5 146.5 -47.2 112.0 21.0 3.6 11.3 16 50 A R - 0 0 175 -6,-0.1 -1,-0.1 -3,-0.1 -8,-0.1 -0.514 35.2-152.4-152.6 75.3 20.6 7.4 10.8 17 51 A P - 0 0 70 0, 0.0 -8,-0.3 0, 0.0 2,-0.3 -0.261 18.5-178.7 -53.7 124.9 17.3 8.2 9.3 18 52 A Q E -A 8 0A 131 -10,-2.6 -10,-2.2 -2,-0.0 2,-0.3 -0.780 36.3 -83.8-122.4 166.8 17.3 11.4 7.3 19 53 A E E -A 7 0A 141 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.569 46.5-174.7 -75.9 134.6 14.6 13.2 5.4 20 54 A V E -A 6 0A 18 -14,-3.1 -14,-3.3 -2,-0.3 2,-0.4 -0.988 7.4-160.6-131.6 139.6 14.0 12.0 1.9 21 55 A S E +A 5 0A 41 -2,-0.4 21,-2.1 -16,-0.3 22,-0.4 -0.961 13.6 169.3-124.9 138.9 11.7 13.4 -0.8 22 56 A Y E +AC 4 41A 30 -18,-1.7 -18,-1.4 -2,-0.4 19,-0.2 -0.978 3.7 172.5-146.4 157.8 10.3 11.7 -4.0 23 57 A T E + C 0 40A 10 17,-2.9 17,-3.1 -2,-0.3 3,-0.2 -0.828 50.7 68.5-150.0-173.6 7.7 12.3 -6.7 24 58 A D E - 0 0 72 -22,-0.3 14,-0.1 -2,-0.2 -1,-0.1 0.674 66.1-172.9 65.4 19.9 6.3 11.0 -10.0 25 59 A T E + 0 0 62 -23,-0.4 2,-0.4 15,-0.1 14,-0.2 -0.213 9.8 172.4 -49.7 115.6 5.0 8.0 -8.1 26 60 A K E - C 0 38A 129 12,-1.7 12,-1.4 -3,-0.2 -1,-0.1 -0.917 31.7-124.3-135.2 108.9 3.6 5.4 -10.6 27 61 A V E + C 0 37A 91 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.103 38.0 160.1 -46.1 140.8 2.4 1.9 -9.5 28 62 A I + 0 0 89 8,-2.8 2,-0.3 1,-0.3 9,-0.2 0.357 55.5 50.8-145.0 -4.0 4.2 -0.8 -11.5 29 63 A G - 0 0 19 7,-2.0 7,-0.4 2,-0.0 2,-0.3 -0.997 57.0-179.7-142.8 146.4 3.8 -4.0 -9.4 30 64 A N + 0 0 148 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.971 19.5 102.4-145.7 159.6 0.9 -5.8 -7.7 31 65 A G S S- 0 0 53 3,-0.7 3,-0.1 -2,-0.3 -2,-0.0 -0.980 72.0 -74.9 160.3-169.3 -0.0 -8.8 -5.5 32 66 A S S S+ 0 0 121 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.564 120.5 62.5 -95.7 -12.2 -0.9 -10.0 -2.0 33 67 A F S S- 0 0 180 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.509 123.0 -79.9 -89.2 -6.6 2.7 -9.7 -0.8 34 68 A G - 0 0 20 19,-0.1 -3,-0.7 -3,-0.1 2,-0.2 -0.944 49.6 -84.2 154.3-130.3 2.7 -6.0 -1.4 35 69 A V - 0 0 17 -2,-0.3 17,-3.1 17,-0.3 2,-0.5 -0.779 21.7-139.9 177.5 136.2 3.1 -3.6 -4.3 36 70 A V E - D 0 51A 46 -7,-0.4 -8,-2.8 15,-0.2 -7,-2.0 -0.929 21.2-175.5-111.3 128.9 6.0 -2.0 -6.3 37 71 A Y E -CD 27 50A 48 13,-2.4 13,-2.3 -2,-0.5 2,-0.3 -0.762 19.3-130.7-117.0 164.7 5.9 1.6 -7.4 38 72 A Q E +CD 26 49A 24 -12,-1.4 -12,-1.7 -2,-0.3 2,-0.3 -0.776 35.3 157.5-109.3 159.5 8.2 3.8 -9.5 39 73 A A E - D 0 48A 0 9,-1.6 9,-2.7 -2,-0.3 2,-0.4 -0.970 34.9-122.1-174.5 161.9 9.4 7.2 -8.4 40 74 A K E -CD 23 47A 84 -17,-3.1 -17,-2.9 -2,-0.3 7,-0.2 -0.952 23.2-131.3-118.8 133.5 12.0 9.9 -8.7 41 75 A L E > -C 22 0A 9 5,-2.5 4,-1.0 -2,-0.4 -19,-0.3 -0.555 16.4-140.1 -78.1 147.9 14.0 11.3 -5.8 42 76 A C T 4 S+ 0 0 68 -21,-2.1 -20,-0.1 -2,-0.2 -1,-0.1 0.771 93.8 49.3 -85.1 -26.4 14.1 15.1 -5.8 43 77 A D T 4 S+ 0 0 168 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.757 131.1 18.0 -84.8 -21.2 17.7 15.9 -4.9 44 78 A S T 4 S- 0 0 63 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.640 88.5-136.3-117.8 -26.5 19.2 13.6 -7.4 45 79 A G < + 0 0 28 -4,-1.0 -3,-0.1 1,-0.3 -23,-0.0 0.371 52.2 152.5 82.2 -5.5 16.3 13.0 -9.9 46 80 A E - 0 0 85 -6,-0.1 -5,-2.5 1,-0.1 -1,-0.3 -0.187 46.1-115.3 -59.9 148.2 17.3 9.3 -9.8 47 81 A L E +D 40 0A 87 -7,-0.2 50,-1.3 50,-0.1 2,-0.3 -0.613 38.4 173.7 -86.6 145.0 14.7 6.6 -10.5 48 82 A V E -DE 39 96A 0 -9,-2.7 -9,-1.6 -2,-0.3 2,-0.4 -0.963 28.1-131.8-148.2 161.5 13.7 4.2 -7.8 49 83 A A E -DE 38 95A 12 46,-2.0 46,-2.8 -2,-0.3 2,-0.6 -0.955 18.2-153.2-116.6 135.0 11.2 1.4 -7.1 50 84 A I E -DE 37 94A 5 -13,-2.3 -13,-2.4 -2,-0.4 2,-0.7 -0.945 3.9-161.3-113.0 117.6 9.3 1.4 -3.8 51 85 A K E -DE 36 93A 26 42,-2.1 42,-1.9 -2,-0.6 2,-0.6 -0.876 8.6-160.7 -99.4 117.3 8.2 -2.0 -2.5 52 86 A K E + E 0 92A 49 -17,-3.1 2,-0.3 -2,-0.7 -17,-0.3 -0.866 15.0 172.0-103.8 114.5 5.4 -1.6 0.0 53 87 A V E - E 0 91A 11 38,-2.7 38,-3.1 -2,-0.6 2,-0.6 -0.896 35.1-116.4-120.8 150.8 4.8 -4.5 2.4 54 88 A L E + E 0 90A 77 -2,-0.3 2,-0.4 36,-0.3 36,-0.3 -0.757 39.5 177.9 -85.6 117.0 2.6 -4.8 5.4 55 89 A Q - 0 0 27 34,-2.8 34,-0.5 -2,-0.6 2,-0.4 -0.936 17.7-144.8-122.3 148.1 4.6 -5.4 8.5 56 90 A D > - 0 0 41 -2,-0.4 3,-1.3 32,-0.1 32,-0.0 -0.883 22.0-123.9-113.2 144.9 3.6 -5.8 12.2 57 91 A K T 3 S+ 0 0 195 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.625 96.1 87.7 -58.1 -14.5 5.5 -4.6 15.2 58 92 A R T 3 S- 0 0 223 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.900 103.7 -2.7 -55.1 -42.8 5.4 -8.2 16.6 59 93 A F S < S- 0 0 138 -3,-1.3 2,-0.4 0, 0.0 -3,-0.0 -0.743 83.0 -84.8-137.7-174.3 8.5 -9.2 14.8 60 94 A K - 0 0 159 -2,-0.2 2,-0.4 -5,-0.0 -3,-0.0 -0.804 43.1-105.5-101.4 140.6 11.2 -7.9 12.3 61 95 A N > - 0 0 23 -2,-0.4 4,-2.0 1,-0.2 3,-0.2 -0.447 27.4-158.4 -62.9 113.9 10.9 -8.0 8.5 62 96 A R H > S+ 0 0 99 -2,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.846 90.4 54.5 -64.4 -35.5 13.2 -10.8 7.5 63 97 A E H > S+ 0 0 17 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.825 107.1 51.1 -68.8 -32.1 13.5 -9.5 4.0 64 98 A L H > S+ 0 0 4 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.961 110.0 48.9 -67.9 -49.1 14.7 -6.1 5.3 65 99 A Q H X S+ 0 0 60 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.842 114.1 46.1 -56.9 -39.6 17.3 -7.7 7.5 66 100 A I H >< S+ 0 0 5 -4,-1.8 3,-0.8 2,-0.2 4,-0.3 0.910 111.4 50.6 -71.2 -45.3 18.6 -9.8 4.6 67 101 A M H >< S+ 0 0 7 -4,-2.2 3,-1.7 1,-0.2 11,-0.2 0.886 103.9 60.7 -59.6 -40.9 18.7 -6.9 2.1 68 102 A R H 3< S+ 0 0 60 -4,-2.5 -1,-0.2 1,-0.3 -55,-0.2 0.761 104.9 47.1 -61.2 -26.5 20.6 -4.8 4.6 69 103 A K T << S+ 0 0 94 -3,-0.8 2,-0.3 -4,-0.6 -1,-0.3 0.398 97.1 94.1 -96.5 4.5 23.5 -7.2 4.7 70 104 A L < + 0 0 10 -3,-1.7 8,-0.2 -4,-0.3 2,-0.1 -0.730 36.9 157.0-100.3 146.6 23.7 -7.5 0.9 71 105 A D + 0 0 121 -2,-0.3 2,-0.3 6,-0.1 6,-0.1 -0.478 21.3 128.0-169.3 89.6 25.9 -5.5 -1.4 72 106 A H > - 0 0 19 3,-0.3 3,-2.2 -2,-0.1 59,-0.0 -0.997 61.4-119.9-150.0 139.7 26.8 -6.9 -4.8 73 107 A C T 3 S+ 0 0 83 -2,-0.3 4,-0.1 1,-0.3 58,-0.1 0.704 113.2 54.3 -56.6 -16.8 26.6 -5.6 -8.4 74 108 A N T 3 S+ 0 0 5 86,-0.1 87,-2.7 56,-0.1 2,-0.4 0.166 96.9 73.9-106.3 21.4 24.3 -8.4 -9.3 75 109 A I B < S-g 161 0B 5 -3,-2.2 -3,-0.3 85,-0.3 87,-0.2 -0.995 96.9 -94.0-132.9 134.8 21.7 -7.9 -6.5 76 110 A V - 0 0 10 85,-3.3 2,-0.3 -2,-0.4 -2,-0.1 -0.198 46.7-122.5 -48.7 128.8 19.1 -5.1 -6.5 77 111 A R - 0 0 110 19,-0.3 19,-2.3 -4,-0.1 2,-0.4 -0.621 15.0-141.9 -83.3 133.4 20.6 -2.2 -4.5 78 112 A L E + F 0 95A 4 -2,-0.3 17,-0.2 -8,-0.2 -66,-0.2 -0.782 21.8 174.2 -91.9 132.4 18.7 -0.9 -1.5 79 113 A R E - 0 0 29 15,-3.7 -68,-2.5 1,-0.4 -67,-0.4 0.858 62.6 -18.3-100.6 -54.9 18.8 2.9 -1.1 80 114 A Y E -BF 10 94A 57 14,-1.2 14,-2.7 -70,-0.3 -1,-0.4 -0.866 51.6-152.8-143.4 174.2 16.5 3.6 1.9 81 115 A F E +BF 9 93A 13 -72,-1.0 -72,-1.8 -2,-0.3 2,-0.3 -0.949 22.8 161.3-154.6 133.3 13.7 1.9 3.8 82 116 A F E - F 0 92A 8 10,-2.0 10,-4.3 -2,-0.3 2,-0.3 -0.919 29.7-108.3-147.3 175.5 10.9 3.6 5.6 83 117 A Y E + F 0 91A 111 -76,-0.4 2,-0.3 -2,-0.3 8,-0.2 -0.773 25.7 176.2-114.2 154.0 7.4 3.1 7.1 84 118 A S E F 0 90A 34 6,-2.4 6,-3.9 -2,-0.3 -78,-0.0 -0.946 360.0 360.0-146.8 165.0 3.9 4.2 6.2 85 119 A S 0 0 128 -2,-0.3 4,-0.2 4,-0.2 -31,-0.0 -0.514 360.0 360.0-115.4 360.0 0.3 3.7 7.4 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 87 124 A D 0 0 215 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 156.7 -3.7 1.4 12.3 88 125 A E - 0 0 100 2,-0.0 2,-0.5 -32,-0.0 -32,-0.1 -0.891 360.0-140.2-161.9 127.9 -1.4 -0.5 9.9 89 126 A V - 0 0 58 -34,-0.5 -34,-2.8 -2,-0.3 2,-0.5 -0.810 15.5-170.5 -98.3 122.9 2.4 -0.4 9.4 90 127 A Y E -EF 54 84A 59 -6,-3.9 -6,-2.4 -2,-0.5 2,-0.5 -0.948 12.1-147.6-114.2 127.6 3.8 -0.6 5.9 91 128 A L E -EF 53 83A 0 -38,-3.1 -38,-2.7 -2,-0.5 2,-0.5 -0.796 14.0-157.8 -92.2 130.0 7.5 -1.1 5.3 92 129 A N E -EF 52 82A 8 -10,-4.3 -10,-2.0 -2,-0.5 2,-0.6 -0.932 4.6-159.9-113.4 132.8 8.8 0.6 2.1 93 130 A L E -EF 51 81A 1 -42,-1.9 -42,-2.1 -2,-0.5 2,-0.7 -0.942 6.8-154.7-111.9 116.5 12.0 -0.5 0.4 94 131 A V E -EF 50 80A 5 -14,-2.7 -15,-3.7 -2,-0.6 -14,-1.2 -0.818 22.5-178.4 -94.4 115.6 13.5 2.1 -1.9 95 132 A L E -EF 49 78A 19 -46,-2.8 -46,-2.0 -2,-0.7 2,-0.5 -0.799 38.5 -96.7-116.2 152.4 15.6 0.3 -4.5 96 133 A D E -E 48 0A 34 -19,-2.3 -19,-0.3 -2,-0.3 -48,-0.2 -0.572 55.9-117.3 -65.8 119.0 17.7 1.4 -7.4 97 134 A Y - 0 0 77 -50,-1.3 -50,-0.1 -2,-0.5 -1,-0.1 -0.284 29.6-169.3 -64.9 139.8 15.3 1.1 -10.4 98 135 A V - 0 0 19 1,-0.1 55,-0.1 -2,-0.0 -3,-0.0 -0.987 18.0-139.7-128.7 135.1 15.9 -1.4 -13.2 99 136 A P + 0 0 49 0, 0.0 2,-0.2 0, 0.0 54,-0.2 0.698 69.9 24.2 -73.9 -20.7 13.8 -1.2 -16.4 100 137 A E E -H 152 0B 54 52,-1.4 52,-1.9 4,-0.0 2,-0.3 -0.785 56.7-142.0-137.3-178.8 13.1 -4.8 -17.3 101 138 A T E > -H 151 0B 21 50,-0.3 4,-2.1 -2,-0.2 50,-0.2 -0.960 32.3-115.2-141.2 159.1 12.9 -8.4 -16.2 102 139 A V H > S+ 0 0 3 48,-2.3 4,-2.0 45,-0.8 46,-0.2 0.759 118.4 55.8 -64.0 -22.7 13.9 -11.8 -17.6 103 140 A Y H > S+ 0 0 74 44,-1.5 4,-2.1 47,-0.3 -1,-0.2 0.945 108.0 43.2 -74.6 -50.1 10.1 -12.5 -17.6 104 141 A R H > S+ 0 0 139 43,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.801 118.9 46.9 -64.6 -29.7 9.1 -9.5 -19.7 105 142 A V H X S+ 0 0 24 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.900 111.0 49.1 -78.4 -43.6 12.0 -10.2 -22.0 106 143 A A H X S+ 0 0 27 -4,-2.0 4,-1.2 -5,-0.2 3,-0.2 0.871 114.4 46.8 -61.8 -39.2 11.4 -13.9 -22.4 107 144 A R H X S+ 0 0 115 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.876 106.2 58.6 -70.3 -40.3 7.7 -13.2 -23.1 108 145 A H H < S+ 0 0 136 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.754 109.5 44.8 -61.4 -26.1 8.6 -10.5 -25.6 109 146 A Y H ><>S+ 0 0 55 -4,-1.1 5,-1.7 -3,-0.2 3,-0.7 0.752 107.3 58.7 -88.4 -28.4 10.6 -13.1 -27.6 110 147 A S H ><5S+ 0 0 62 -4,-1.2 3,-1.9 1,-0.2 -2,-0.2 0.851 97.6 58.6 -69.1 -36.6 7.9 -15.7 -27.4 111 148 A R T 3<5S+ 0 0 181 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.575 107.1 50.1 -70.8 -7.1 5.3 -13.5 -29.1 112 149 A A T < 5S- 0 0 48 -3,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.248 110.8-123.1-110.9 8.4 7.7 -13.4 -32.0 113 150 A K T < 5S+ 0 0 204 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.620 77.0 119.5 59.1 10.9 8.2 -17.1 -32.1 114 151 A Q < - 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0 0 53 -2,-1.6 6,-0.1 -3,-0.2 -3,-0.1 -0.843 56.9-135.2-109.3 146.2 19.8 -33.3 -11.0 268 323 A Y S S+ 0 0 12 -2,-0.3 -82,-0.2 -35,-0.1 -1,-0.1 0.916 93.6 71.3 -68.1 -39.9 17.5 -35.2 -8.6 269 324 A T S >> S- 0 0 23 1,-0.2 3,-1.2 -25,-0.1 4,-0.9 -0.668 74.8-152.0 -81.9 115.7 20.3 -35.4 -6.1 270 325 A P G >4 S+ 0 0 17 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.903 98.2 49.6 -49.7 -47.8 20.9 -31.9 -4.6 271 326 A T G 34 S+ 0 0 113 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.682 102.8 62.6 -68.5 -18.5 24.6 -32.7 -3.9 272 327 A A G <4 S+ 0 0 38 -3,-1.2 -1,-0.2 -7,-0.0 -4,-0.1 0.717 89.5 89.1 -78.5 -22.1 25.0 -33.9 -7.5 273 328 A R S << S- 0 0 7 -3,-1.0 -8,-0.2 -4,-0.9 -9,-0.1 -0.332 85.6-104.0 -75.9 157.6 24.2 -30.5 -8.9 274 329 A L - 0 0 16 -10,-1.9 -1,-0.1 -13,-0.2 -74,-0.1 -0.089 32.2-126.5 -68.6 176.0 26.8 -27.8 -9.5 275 330 A T > - 0 0 58 1,-0.1 4,-3.0 -75,-0.0 5,-0.3 -0.797 32.1 -95.6-119.5 164.8 27.1 -24.9 -7.2 276 331 A P H > S+ 0 0 9 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.939 124.1 47.7 -44.6 -57.7 26.9 -21.2 -8.2 277 332 A L H > S+ 0 0 2 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.871 113.5 46.4 -52.1 -46.4 30.7 -20.9 -8.4 278 333 A E H > S+ 0 0 86 2,-0.2 4,-0.7 1,-0.2 3,-0.5 0.953 112.0 51.9 -64.1 -46.9 31.2 -24.1 -10.4 279 334 A A H >< S+ 0 0 0 -4,-3.0 3,-1.6 1,-0.2 -2,-0.2 0.918 105.4 55.6 -54.3 -47.4 28.3 -23.0 -12.7 280 335 A C H 3< S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.869 111.0 45.2 -53.1 -38.9 30.0 -19.6 -13.3 281 336 A A H 3< S+ 0 0 13 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.506 84.2 124.6 -85.9 -4.0 33.1 -21.5 -14.4 282 337 A H S X< S- 0 0 31 -3,-1.6 3,-2.1 -4,-0.7 4,-0.1 -0.238 75.7-115.5 -55.8 146.3 31.3 -23.9 -16.6 283 338 A S G > S+ 0 0 43 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.572 108.0 81.0 -60.9 -10.2 32.6 -23.8 -20.2 284 339 A F G 3 S+ 0 0 4 1,-0.3 -1,-0.3 -27,-0.3 3,-0.3 0.805 97.9 43.8 -66.0 -26.0 29.2 -22.5 -21.4 285 340 A F G X> S+ 0 0 0 -3,-2.1 3,-1.5 -6,-0.2 4,-1.0 0.281 79.9 107.3-100.5 7.7 30.5 -19.2 -20.2 286 341 A D G X4 S+ 0 0 82 -3,-1.2 3,-1.4 1,-0.3 4,-0.5 0.918 73.5 62.5 -50.5 -47.3 34.0 -19.5 -21.7 287 342 A E G >4 S+ 0 0 84 -4,-0.4 3,-0.9 -3,-0.3 -1,-0.3 0.815 99.1 55.5 -48.4 -34.1 33.0 -17.0 -24.4 288 343 A L G <4 S+ 0 0 3 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.837 103.9 52.7 -70.5 -31.8 32.6 -14.5 -21.6 289 344 A R G << S+ 0 0 21 -3,-1.4 -1,-0.2 -4,-1.0 -2,-0.2 0.437 86.6 114.5 -82.2 1.1 36.1 -15.1 -20.4 290 345 A D X - 0 0 68 -3,-0.9 3,-1.1 -4,-0.5 -3,-0.0 -0.518 63.1-147.4 -74.6 134.1 37.3 -14.4 -23.9 291 346 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.895 100.7 51.8 -68.4 -37.4 39.4 -11.3 -24.3 292 347 A N T 3 S+ 0 0 135 2,-0.1 2,-0.2 -3,-0.0 -2,-0.1 -0.038 84.1 134.4 -88.2 29.9 38.1 -10.7 -27.8 293 348 A V < - 0 0 33 -3,-1.1 2,-0.5 -5,-0.1 8,-0.2 -0.592 43.2-150.2 -82.7 143.8 34.5 -10.9 -26.5 294 349 A K - 0 0 180 -2,-0.2 5,-0.1 6,-0.1 6,-0.1 -0.960 13.4-129.2-121.8 123.8 32.0 -8.3 -27.7 295 350 A L > - 0 0 10 -2,-0.5 3,-2.9 4,-0.3 -138,-0.0 -0.536 24.6-129.8 -67.0 123.6 29.0 -7.0 -25.7 296 351 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.2 0, 0.0 -139,-0.0 0.652 107.7 54.0 -49.1 -15.4 26.0 -7.3 -28.2 297 352 A N T 3 S- 0 0 60 2,-0.2 2,-0.6 -141,-0.1 3,-0.1 0.556 106.4-124.2 -98.5 -11.1 25.3 -3.7 -27.3 298 353 A G S < S+ 0 0 66 -3,-2.9 -3,-0.2 1,-0.4 3,-0.1 -0.362 77.4 109.6 98.1 -55.3 28.7 -2.1 -28.0 299 354 A R S S- 0 0 162 -2,-0.6 -1,-0.4 -144,-0.2 -4,-0.3 0.024 88.4 -80.4 -45.9 165.2 29.1 -0.7 -24.5 300 355 A D - 0 0 146 1,-0.1 -1,-0.1 -3,-0.1 3,-0.1 -0.488 55.8 -96.2 -74.2 146.2 31.8 -2.4 -22.5 301 356 A T - 0 0 36 -8,-0.2 3,-0.1 -2,-0.1 -1,-0.1 -0.274 47.2 -97.6 -60.9 143.2 30.8 -5.7 -20.9 302 357 A P - 0 0 22 0, 0.0 2,-1.2 0, 0.0 -1,-0.1 -0.212 53.6 -77.5 -60.9 153.2 29.7 -5.4 -17.2 303 358 A A + 0 0 65 1,-0.2 3,-0.1 -3,-0.1 -230,-0.1 -0.312 65.1 159.8 -54.7 90.4 32.3 -6.3 -14.5 304 359 A L + 0 0 4 -2,-1.2 -1,-0.2 1,-0.1 3,-0.1 0.572 68.2 42.0 -92.7 -12.2 32.0 -10.1 -14.8 305 360 A F S S+ 0 0 38 1,-0.1 2,-1.1 -3,-0.1 -1,-0.1 0.353 73.1 109.8-117.6 3.9 35.4 -11.0 -13.1 306 361 A N + 0 0 80 -3,-0.1 -1,-0.1 17,-0.0 17,-0.1 0.002 50.5 170.2 -74.3 36.0 35.6 -8.6 -10.1 307 362 A F - 0 0 20 -2,-1.1 2,-0.2 15,-0.1 -2,-0.0 -0.048 23.3-140.9 -48.2 139.6 35.0 -11.6 -7.7 308 363 A T > - 0 0 65 1,-0.1 4,-1.4 0, 0.0 5,-0.2 -0.543 27.8-106.8 -98.8 169.9 35.5 -11.0 -3.9 309 364 A T H > S+ 0 0 126 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.826 124.3 55.0 -62.7 -28.5 37.1 -13.4 -1.4 310 365 A Q H >4 S+ 0 0 67 2,-0.2 3,-0.6 1,-0.2 4,-0.4 0.957 104.6 49.7 -67.0 -54.4 33.6 -14.0 -0.2 311 366 A E H 34 S+ 0 0 3 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.737 118.7 42.0 -57.2 -25.4 32.2 -14.9 -3.6 312 367 A L H >< S+ 0 0 17 -4,-1.4 3,-3.6 1,-0.1 -1,-0.2 0.629 81.5 97.9 -98.7 -17.8 35.1 -17.4 -3.9 313 368 A S T << S+ 0 0 66 -4,-1.3 -1,-0.1 -3,-0.6 -2,-0.1 0.786 72.8 71.5 -42.5 -32.4 35.2 -18.9 -0.4 314 369 A S T 3 S- 0 0 67 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.788 132.8 -21.4 -57.4 -26.0 33.2 -21.8 -1.7 315 370 A N X - 0 0 52 -3,-3.6 3,-1.8 -38,-0.0 -1,-0.2 -0.174 64.6-168.5 172.8 79.3 36.4 -22.9 -3.5 316 371 A P G > S+ 0 0 69 0, 0.0 3,-3.6 0, 0.0 4,-0.2 0.822 81.6 68.7 -45.2 -50.5 39.1 -20.2 -4.2 317 372 A P G > S+ 0 0 90 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.736 85.6 72.9 -49.3 -20.2 41.3 -22.3 -6.6 318 373 A L G X> S+ 0 0 34 -3,-1.8 4,-2.0 1,-0.3 3,-1.0 0.595 75.4 83.3 -70.4 -7.3 38.4 -22.0 -9.1 319 374 A A H <> S+ 0 0 21 -3,-3.6 4,-2.0 1,-0.3 -1,-0.3 0.734 73.6 72.6 -66.5 -22.9 39.5 -18.3 -9.4 320 375 A T H <4 S+ 0 0 98 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.882 109.4 30.8 -59.9 -35.7 42.1 -19.5 -11.9 321 376 A I H <4 S+ 0 0 79 -3,-1.0 -2,-0.2 -4,-0.3 -1,-0.2 0.915 117.1 53.3 -87.2 -51.4 39.3 -20.1 -14.4 322 377 A L H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.782 110.6 50.5 -57.7 -29.6 36.8 -17.4 -13.4 323 378 A I S < S- 0 0 29 -4,-2.0 -1,-0.2 -5,-0.2 5,-0.1 -0.769 84.9-155.3-116.4 90.4 39.4 -14.7 -13.6 324 379 A P >> - 0 0 8 0, 0.0 4,-1.2 0, 0.0 3,-0.6 -0.045 31.0 -98.9 -58.9 158.5 41.2 -14.9 -17.1 325 380 A P H >> S+ 0 0 99 0, 0.0 4,-1.9 0, 0.0 3,-1.1 0.894 124.3 46.5 -43.9 -56.3 44.8 -13.6 -17.7 326 381 A H H 3> S+ 0 0 32 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.834 104.3 63.3 -60.4 -32.4 43.6 -10.4 -19.3 327 382 A A H <4 S+ 0 0 11 -3,-0.6 -1,-0.3 1,-0.2 4,-0.2 0.820 108.6 41.9 -61.6 -31.0 41.1 -9.9 -16.5 328 383 A R H XX S+ 0 0 108 -4,-1.2 3,-1.1 -3,-1.1 4,-0.9 0.935 113.8 46.8 -81.6 -51.5 44.0 -9.6 -14.1 329 384 A I H 3< S+ 0 0 120 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.820 115.9 49.8 -60.2 -30.9 46.5 -7.5 -16.0 330 385 A Q T 3< S+ 0 0 137 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.588 114.7 42.3 -84.3 -13.1 43.5 -5.2 -16.8 331 386 A A T <4 0 0 80 -3,-1.1 -2,-0.2 -4,-0.2 -1,-0.2 0.379 360.0 360.0-111.0 -0.4 42.4 -4.9 -13.2 332 387 A A < 0 0 122 -4,-0.9 -3,-0.1 -3,-0.1 -4,-0.0 -0.071 360.0 360.0 -59.1 360.0 46.0 -4.6 -11.9