==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-NOV-08 3F88 . COMPND 2 MOLECULE: GLYCOGEN SYNTHASE KINASE-3 BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.D.MOL,D.R.DOUGAN . 682 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33379.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 420 61.6 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 . 111 16.3 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 . 2 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 . 57 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 22.9 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 3 2 3 1 2 1 3 0 0 0 0 1 1 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 . 2 6 0 2 1 5 4 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 0 119 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.2 2.3 -32.3 44.2 2 36 A K - 0 0 146 23,-0.1 2,-0.6 1,-0.1 23,-0.4 -0.200 360.0-144.2 -53.9 127.0 5.1 -31.6 46.6 3 37 A V - 0 0 90 20,-0.1 2,-0.5 21,-0.1 20,-0.2 -0.889 19.8-157.5 -91.3 120.8 4.3 -29.2 49.4 4 38 A T E -A 22 0A 25 18,-2.9 18,-2.8 -2,-0.6 2,-0.5 -0.884 8.4-164.2-104.0 131.9 7.4 -27.1 50.0 5 39 A T E +A 21 0A 71 -2,-0.5 16,-0.2 16,-0.2 2,-0.2 -0.966 15.8 170.7-117.1 112.9 8.0 -25.4 53.3 6 40 A V E -A 20 0A 23 14,-2.1 14,-2.3 -2,-0.5 2,-0.6 -0.620 36.6-115.5-105.5 171.6 10.7 -22.7 53.3 7 41 A V E -A 19 0A 97 76,-0.2 76,-0.4 12,-0.2 2,-0.4 -0.945 44.4-177.3-113.0 113.2 11.6 -20.1 56.0 8 42 A A E -A 18 0A 0 10,-3.3 10,-2.9 -2,-0.6 74,-0.2 -0.893 27.8-137.4-127.8 138.1 11.0 -16.7 54.6 9 43 A T E -B 81 0A 21 72,-2.3 72,-1.7 -2,-0.4 6,-0.1 -0.742 34.0-117.0 -86.5 131.3 11.3 -13.1 55.6 10 44 A P E -B 80 0A 23 0, 0.0 70,-0.2 0, 0.0 69,-0.1 -0.153 18.1-126.1 -55.4 163.8 8.4 -10.8 54.8 11 45 A G S S+ 0 0 3 68,-1.6 68,-0.1 67,-0.3 69,-0.1 0.836 99.8 24.4 -81.6 -34.6 9.0 -8.0 52.4 12 46 A Q S S+ 0 0 81 67,-0.3 -1,-0.1 66,-0.1 3,-0.1 0.368 106.9 76.4-120.0 -0.0 7.8 -5.0 54.5 13 47 A G S S- 0 0 39 1,-0.2 2,-0.2 3,-0.0 -4,-0.0 -0.043 93.7 -72.4 -90.8-164.0 8.0 -6.1 58.1 14 48 A P S S- 0 0 76 0, 0.0 2,-1.3 0, 0.0 -1,-0.2 -0.503 71.1 -75.1 -79.5 168.3 11.1 -6.3 60.3 15 49 A D S S+ 0 0 110 -2,-0.2 -6,-0.1 -6,-0.1 -4,-0.1 -0.533 81.5 144.6 -65.1 96.6 13.5 -9.2 59.6 16 50 A R - 0 0 160 -2,-1.3 -8,-0.1 -6,-0.1 -1,-0.1 -0.636 41.0-142.5-145.8 77.8 11.1 -11.8 61.2 17 51 A P - 0 0 85 0, 0.0 2,-0.3 0, 0.0 -8,-0.2 -0.058 17.0-168.0 -53.8 135.6 11.2 -15.2 59.3 18 52 A Q E -A 8 0A 87 -10,-2.9 -10,-3.3 2,-0.0 2,-0.5 -0.901 30.2-111.8-119.9 149.9 8.1 -17.4 58.8 19 53 A E E -A 7 0A 159 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.739 41.4-173.7 -73.4 127.2 7.4 -20.9 57.7 20 54 A V E -A 6 0A 11 -14,-2.3 -14,-2.1 -2,-0.5 2,-0.5 -0.999 6.9-159.9-128.1 121.2 5.7 -20.4 54.4 21 55 A S E +A 5 0A 31 -2,-0.4 21,-2.7 -16,-0.2 22,-0.3 -0.916 13.9 174.6-110.0 126.9 4.3 -23.5 52.6 22 56 A Y E +AC 4 41A 22 -18,-2.8 -18,-2.9 -2,-0.5 2,-0.3 -0.839 4.6 179.8-126.1 164.5 3.6 -23.5 48.9 23 57 A T E + C 0 40A 19 17,-2.7 17,-3.2 -2,-0.3 3,-0.2 -0.874 55.6 57.5-152.0 177.5 2.5 -26.0 46.3 24 58 A D E - 0 0 70 -22,-0.3 2,-0.6 -2,-0.3 -1,-0.1 0.808 68.6-178.1 57.6 33.2 1.7 -26.4 42.6 25 59 A T E + 0 0 42 -23,-0.4 2,-0.3 14,-0.1 14,-0.2 -0.509 8.2 164.3 -63.4 107.3 5.2 -25.2 41.9 26 60 A K E - C 0 38A 115 12,-2.2 12,-3.1 -2,-0.6 2,-0.5 -0.873 38.4-118.8-118.5 162.6 5.7 -25.0 38.1 27 61 A V E + C 0 37A 86 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.887 33.1 169.7 -99.9 128.1 8.4 -23.2 36.2 28 62 A I E + 0 0 78 8,-2.3 2,-0.3 -2,-0.5 9,-0.2 0.501 65.7 22.2-119.7 -11.7 7.0 -20.5 33.9 29 63 A G E + C 0 36A 18 7,-2.1 7,-2.3 2,-0.0 -1,-0.4 -0.983 53.5 174.9-152.5 152.1 10.2 -18.7 32.9 30 64 A N E + C 0 35A 119 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.765 36.9 94.8-161.7 105.9 13.8 -19.6 32.8 31 65 A G E > S- C 0 34A 35 3,-2.8 3,-3.1 -2,-0.3 -2,-0.0 -0.814 84.6 -32.0-162.4-154.1 16.4 -17.2 31.3 32 66 A S T 3 S+ 0 0 134 1,-0.3 3,-0.1 -2,-0.2 0, 0.0 0.675 129.9 57.5 -57.3 -18.9 19.0 -14.4 31.8 33 67 A F T 3 S- 0 0 76 1,-0.3 2,-0.5 20,-0.1 -1,-0.3 0.506 116.8-119.3 -89.5 -6.1 16.8 -13.2 34.7 34 68 A G E < -C 31 0A 21 -3,-3.1 -3,-2.8 19,-0.1 2,-0.4 -0.887 56.4 -26.8 108.5-133.0 17.2 -16.7 36.3 35 69 A V E -CD 30 52A 25 17,-2.1 17,-3.8 -2,-0.5 2,-0.4 -0.983 49.2-165.0-127.6 132.2 14.2 -18.8 37.0 36 70 A V E -CD 29 51A 32 -7,-2.3 -8,-2.3 -2,-0.4 -7,-2.1 -0.976 14.8-170.3-115.7 133.4 10.6 -17.7 37.6 37 71 A Y E -CD 27 50A 56 13,-2.1 13,-1.8 -2,-0.4 2,-0.3 -0.847 18.4-133.7-118.5 152.4 8.2 -20.2 39.1 38 72 A Q E +CD 26 49A 27 -12,-3.1 -12,-2.2 -2,-0.3 2,-0.3 -0.833 33.6 165.0-102.5 149.3 4.4 -20.3 39.7 39 73 A A E - D 0 48A 0 9,-2.3 9,-2.8 -2,-0.3 2,-0.4 -0.977 33.1-132.2-155.2 160.1 3.1 -21.5 43.0 40 74 A K E -CD 23 47A 87 -17,-3.2 -17,-2.7 -2,-0.3 2,-0.5 -0.991 27.9-126.5-118.1 128.0 0.0 -21.6 45.2 41 75 A L E > -C 22 0A 14 5,-2.8 4,-2.2 -2,-0.4 -19,-0.2 -0.669 22.7-134.6 -74.6 124.1 0.4 -20.5 48.9 42 76 A C T 4 S+ 0 0 58 -21,-2.7 -1,-0.1 -2,-0.5 -20,-0.1 0.748 93.1 30.5 -55.0 -37.7 -1.1 -23.4 50.9 43 77 A D T 4 S+ 0 0 144 -22,-0.3 -1,-0.2 1,-0.1 -21,-0.1 0.803 124.3 40.3 -98.0 -32.4 -3.2 -21.6 53.4 44 78 A S T 4 S- 0 0 71 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.765 90.9-135.8 -86.0 -24.6 -4.4 -18.5 51.6 45 79 A G < + 0 0 44 -4,-2.2 -3,-0.1 1,-0.3 2,-0.1 0.351 55.0 147.7 80.9 -2.8 -5.0 -20.1 48.2 46 80 A E - 0 0 93 -5,-0.2 -5,-2.8 -6,-0.1 -1,-0.3 -0.381 48.0-125.8 -72.6 138.5 -3.2 -17.1 46.6 47 81 A L E +D 40 0A 71 -7,-0.2 48,-1.0 -3,-0.1 2,-0.3 -0.600 33.5 179.4 -80.1 144.2 -1.2 -17.5 43.5 48 82 A V E -DE 39 94A 1 -9,-2.8 -9,-2.3 -2,-0.3 2,-0.3 -0.952 24.1-137.9-141.7 158.3 2.4 -16.3 43.6 49 83 A A E -DE 38 93A 11 44,-2.1 44,-3.8 -2,-0.3 2,-0.4 -0.831 16.2-156.5-111.1 154.5 5.5 -16.1 41.4 50 84 A I E -DE 37 92A 2 -13,-1.8 -13,-2.1 -2,-0.3 2,-0.6 -0.924 1.1-158.3-137.5 110.5 8.9 -16.9 42.7 51 85 A K E -DE 36 91A 10 40,-2.2 40,-2.9 -2,-0.4 2,-0.7 -0.782 5.5-161.9 -89.1 121.8 12.0 -15.5 41.1 52 86 A K E +DE 35 90A 48 -17,-3.8 -17,-2.1 -2,-0.6 2,-0.4 -0.927 17.6 178.7-106.8 106.9 15.1 -17.6 41.8 53 87 A V E - E 0 89A 22 36,-2.6 36,-2.3 -2,-0.7 -19,-0.1 -0.906 32.0 -98.7-116.7 137.9 18.1 -15.5 41.1 54 88 A L E + E 0 88A 119 -2,-0.4 2,-0.3 34,-0.2 34,-0.2 -0.217 39.8 176.2 -59.2 137.1 21.8 -16.4 41.5 55 89 A Q - 0 0 16 32,-1.5 5,-0.1 1,-0.2 -1,-0.0 -0.961 26.5-140.4-136.6 149.0 23.7 -15.3 44.6 56 90 A D - 0 0 107 -2,-0.3 -1,-0.2 3,-0.2 4,-0.0 0.934 45.1-102.5 -71.0 -90.6 27.3 -16.1 45.7 57 91 A K S S+ 0 0 157 31,-0.0 31,-0.0 0, 0.0 -1,-0.0 0.066 112.1 25.4-165.1 -31.1 27.1 -16.6 49.5 58 92 A R S S+ 0 0 219 2,-0.0 2,-0.4 0, 0.0 -3,-0.0 -0.345 90.8 109.5-139.5 49.8 28.5 -13.3 50.6 59 93 A F S S- 0 0 145 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -1.000 70.4-119.9-124.4 128.0 27.8 -10.8 47.7 60 94 A K - 0 0 170 -2,-0.4 2,-0.2 -5,-0.1 -2,-0.0 -0.578 21.8-134.6 -80.9 115.7 25.1 -8.2 48.5 61 95 A N > - 0 0 22 -2,-0.5 4,-1.0 1,-0.1 -1,-0.1 -0.466 14.4-167.6 -70.8 131.1 22.0 -8.4 46.2 62 96 A R H > S+ 0 0 117 -2,-0.2 4,-2.4 2,-0.2 5,-0.2 0.818 84.2 58.9 -88.7 -37.7 20.8 -5.0 45.0 63 97 A E H > S+ 0 0 11 2,-0.2 4,-3.2 1,-0.2 -1,-0.1 0.920 108.3 46.6 -56.6 -46.3 17.5 -6.1 43.6 64 98 A L H > S+ 0 0 16 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.939 109.1 54.2 -64.6 -47.1 16.4 -7.3 47.0 65 99 A Q H < S+ 0 0 90 -4,-1.0 4,-0.4 1,-0.2 -1,-0.2 0.904 117.0 37.9 -49.7 -47.1 17.6 -4.1 48.7 66 100 A I H >< S+ 0 0 2 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.875 108.4 65.6 -72.1 -40.5 15.4 -2.2 46.3 67 101 A M H >< S+ 0 0 6 -4,-3.2 3,-0.8 1,-0.3 11,-0.4 0.823 101.9 46.1 -55.3 -39.9 12.6 -4.7 46.4 68 102 A R T 3< S+ 0 0 68 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.647 101.9 67.1 -79.4 -14.9 11.8 -4.1 50.1 69 103 A K T < S+ 0 0 100 -3,-1.3 2,-0.4 -4,-0.4 -1,-0.2 0.347 92.1 84.4 -82.6 5.7 11.9 -0.3 49.7 70 104 A L < + 0 0 12 -3,-0.8 8,-0.3 -4,-0.2 2,-0.1 -0.910 36.8 161.8-125.9 136.4 8.8 -0.4 47.4 71 105 A D + 0 0 105 -2,-0.4 2,-0.4 6,-0.1 6,-0.1 -0.576 28.6 136.1-148.6 81.0 5.0 -0.5 47.9 72 106 A H > - 0 0 13 -2,-0.1 3,-2.1 3,-0.1 -2,-0.0 -0.993 53.2-136.0-132.4 138.3 3.1 0.5 44.8 73 107 A C T 3 S+ 0 0 45 -2,-0.4 4,-0.1 1,-0.3 -1,-0.1 0.675 108.4 54.5 -67.7 -18.3 0.1 -1.2 43.3 74 108 A N T 3 S+ 0 0 2 84,-0.1 85,-2.9 51,-0.1 2,-0.4 0.108 100.1 72.3-100.9 21.3 1.6 -0.9 39.8 75 109 A I B < S-g 159 0B 4 -3,-2.1 2,-0.2 83,-0.3 85,-0.2 -0.977 94.2-106.9-128.4 143.9 4.8 -2.7 41.0 76 110 A V - 0 0 8 83,-1.9 2,-0.4 -2,-0.4 -2,-0.1 -0.552 42.5-122.3 -73.6 132.6 4.9 -6.4 41.7 77 111 A R - 0 0 84 -2,-0.2 17,-1.1 -4,-0.1 2,-1.1 -0.627 3.1-134.5 -86.5 132.7 5.1 -6.9 45.4 78 112 A L E + F 0 93A 2 -11,-0.4 -67,-0.3 -2,-0.4 15,-0.2 -0.725 29.7 173.9 -76.5 103.6 7.8 -8.8 47.2 79 113 A R E - 0 0 20 13,-2.9 -68,-1.6 -2,-1.1 2,-0.3 0.957 64.2 -13.0 -78.3 -53.1 5.7 -10.9 49.6 80 114 A Y E -BF 10 92A 52 12,-1.4 12,-1.9 -70,-0.2 2,-0.3 -0.879 56.7-155.1-137.8 168.4 8.6 -12.9 50.9 81 115 A F E +BF 9 91A 10 -72,-1.7 -72,-2.3 -2,-0.3 2,-0.3 -0.976 22.5 156.9-142.9 147.8 12.2 -13.7 50.2 82 116 A F E - F 0 90A 3 8,-2.2 8,-3.5 -2,-0.3 2,-0.3 -0.925 30.1-105.1-157.9-179.0 14.2 -16.7 51.2 83 117 A Y E + F 0 89A 115 -76,-0.4 2,-0.2 -2,-0.3 -76,-0.2 -0.853 34.7 144.7-127.0 153.5 17.2 -18.9 50.4 84 118 A S E F 0 88A 39 4,-1.2 4,-2.7 -2,-0.3 -78,-0.0 -0.900 360.0 360.0-163.5-176.5 18.0 -22.2 48.8 85 119 A S 0 0 118 -2,-0.2 0, 0.0 2,-0.2 0, 0.0 -0.401 360.0 360.0 -85.8 360.0 20.5 -24.2 46.6 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 67 0, 0.0 -32,-1.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 145.0 23.3 -19.9 47.4 88 127 A Y E -EF 54 84A 83 -4,-2.7 -4,-1.2 -34,-0.2 2,-0.5 -0.955 360.0-133.5-123.7 135.7 20.2 -18.6 45.6 89 128 A L E -EF 53 83A 0 -36,-2.3 -36,-2.6 -2,-0.4 2,-0.6 -0.728 20.4-159.0 -86.1 126.2 17.9 -15.7 46.4 90 129 A N E -EF 52 82A 5 -8,-3.5 -8,-2.2 -2,-0.5 2,-0.7 -0.923 3.5-164.9-111.2 118.4 14.2 -16.5 46.2 91 130 A L E -EF 51 81A 0 -40,-2.9 -40,-2.2 -2,-0.6 2,-0.6 -0.872 8.7-152.6-104.9 105.4 11.7 -13.7 45.7 92 131 A V E -EF 50 80A 2 -12,-1.9 -13,-2.9 -2,-0.7 -12,-1.4 -0.680 29.7-178.0 -78.7 118.4 8.1 -14.6 46.4 93 132 A L E -EF 49 78A 15 -44,-3.8 -44,-2.1 -2,-0.6 -15,-0.2 -0.689 36.0 -88.4-120.1 159.4 6.0 -12.2 44.3 94 133 A D E -E 48 0A 22 -17,-1.1 2,-0.4 -2,-0.2 -46,-0.2 -0.501 50.9-125.0 -57.0 133.1 2.5 -11.2 43.4 95 134 A Y - 0 0 61 -48,-1.0 -48,-0.1 -2,-0.2 -1,-0.1 -0.690 29.8-176.4 -79.9 140.5 1.5 -13.5 40.5 96 135 A V - 0 0 17 -2,-0.4 55,-0.1 1,-0.1 54,-0.1 -0.982 18.5-144.4-138.8 125.0 0.3 -11.6 37.5 97 136 A P + 0 0 45 0, 0.0 2,-0.2 0, 0.0 54,-0.2 0.746 67.1 29.3 -70.4 -27.5 -0.8 -13.7 34.6 98 137 A E E -H 150 0B 36 52,-2.3 52,-2.5 4,-0.0 2,-0.3 -0.752 59.9-139.1-134.1 165.5 0.2 -11.9 31.4 99 138 A T E > -H 149 0B 24 50,-0.3 4,-2.3 -2,-0.2 50,-0.2 -0.919 26.3-122.4-127.4 159.8 2.8 -9.5 29.9 100 139 A V H > S+ 0 0 3 48,-2.2 4,-3.4 45,-0.9 5,-0.2 0.837 113.2 61.0 -69.3 -30.3 2.5 -6.6 27.5 101 140 A Y H > S+ 0 0 86 44,-1.2 4,-1.7 47,-0.3 -1,-0.2 0.952 108.0 40.8 -62.7 -48.6 4.9 -8.5 25.3 102 141 A R H > S+ 0 0 110 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.896 117.5 49.1 -67.6 -35.7 2.6 -11.5 24.9 103 142 A V H X S+ 0 0 20 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.960 110.9 49.1 -67.5 -46.5 -0.4 -9.2 24.6 104 143 A A H X S+ 0 0 17 -4,-3.4 4,-2.6 1,-0.2 -1,-0.2 0.828 112.1 50.1 -61.6 -33.4 1.2 -7.0 22.0 105 144 A R H X S+ 0 0 80 -4,-1.7 4,-3.6 -5,-0.2 5,-0.3 0.897 103.3 56.9 -75.2 -43.9 2.2 -10.0 20.0 106 145 A H H X S+ 0 0 112 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.930 113.7 42.4 -49.9 -46.7 -1.2 -11.6 20.0 107 146 A Y H ><>S+ 0 0 68 -4,-1.9 5,-2.3 2,-0.2 3,-0.9 0.984 114.4 50.0 -63.9 -56.0 -2.5 -8.4 18.4 108 147 A S H ><5S+ 0 0 48 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.874 111.1 49.3 -46.5 -50.2 0.5 -8.1 16.0 109 148 A R H 3<5S+ 0 0 175 -4,-3.6 -1,-0.3 1,-0.3 -2,-0.2 0.791 110.2 51.2 -64.6 -28.5 0.1 -11.7 14.9 110 149 A A T <<5S- 0 0 66 -4,-1.4 -1,-0.3 -3,-0.9 -2,-0.2 0.059 114.1-118.6 -96.6 24.2 -3.6 -11.2 14.3 111 150 A K T < 5S+ 0 0 195 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.828 75.7 128.6 40.5 40.2 -2.8 -8.1 12.2 112 151 A Q < - 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0 0 6 -4,-2.0 -5,-0.1 1,-0.1 5,-0.1 -0.224 64.9-122.1 -52.8 117.8 21.1 88.0 22.4 529 224 B A >> - 0 0 0 1,-0.1 4,-1.5 -2,-0.1 3,-0.8 -0.324 21.3-116.2 -64.5 147.0 21.3 84.2 22.5 530 225 B P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 3,-0.3 0.880 112.5 59.4 -61.7 -42.3 18.4 82.5 24.3 531 226 B E H 34>S+ 0 0 1 1,-0.2 5,-1.8 2,-0.2 58,-0.1 0.895 104.9 52.2 -45.4 -46.2 20.5 81.0 27.1 532 227 B L H X45S+ 0 0 3 -3,-0.8 3,-0.7 1,-0.2 -1,-0.2 0.873 105.5 54.0 -58.3 -44.9 21.6 84.6 28.0 533 228 B I H 3<5S+ 0 0 28 -4,-1.5 2,-2.9 -3,-0.3 -2,-0.2 0.977 101.5 59.7 -52.3 -57.5 17.9 85.5 28.1 534 229 B F T 3<5S- 0 0 11 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.1 -0.137 123.4-106.4 -67.4 47.3 17.4 82.6 30.6 535 230 B G T < 5 + 0 0 37 -2,-2.9 -3,-0.2 -3,-0.7 2,-0.2 0.619 55.5 176.7 41.5 27.9 19.9 84.3 32.9 536 231 B A < - 0 0 0 -5,-1.8 3,-0.2 -16,-0.2 -1,-0.1 -0.435 17.1-173.4 -67.4 132.8 22.8 81.9 32.2 537 232 B T S S+ 0 0 71 -2,-0.2 -19,-3.5 1,-0.1 -1,-0.1 0.497 78.0 51.9-100.7 -7.8 26.0 82.8 33.9 538 233 B D S S+ 0 0 90 -21,-0.2 -1,-0.1 -24,-0.0 -23,-0.1 0.047 73.6 159.7-123.1 23.4 28.2 80.2 32.4 539 234 B Y - 0 0 9 -3,-0.2 51,-0.0 -21,-0.1 50,-0.0 -0.189 32.2-134.5 -60.6 136.7 27.6 80.6 28.7 540 235 B T > - 0 0 74 1,-0.1 3,-0.6 3,-0.0 -1,-0.1 0.110 37.3 -90.0 -70.7-168.9 30.1 79.3 26.1 541 236 B S T 3> S+ 0 0 28 1,-0.2 4,-0.6 2,-0.1 3,-0.2 0.075 104.6 96.4 -97.8 24.9 31.3 81.2 23.2 542 237 B S H 3> + 0 0 15 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.398 64.6 81.5 -92.0 3.4 28.5 79.9 21.0 543 238 B I H X> S+ 0 0 0 -3,-0.6 4,-2.1 2,-0.2 3,-1.3 0.973 85.8 54.1 -68.1 -49.7 26.6 83.0 21.8 544 239 B D H 3> S+ 0 0 0 1,-0.3 4,-3.3 2,-0.2 5,-0.2 0.906 105.2 55.4 -49.9 -50.4 28.5 85.0 19.1 545 240 B V H 3X S+ 0 0 1 -4,-0.6 4,-2.8 1,-0.2 -1,-0.3 0.810 106.3 50.6 -50.6 -39.0 27.4 82.4 16.6 546 241 B W H X S+ 0 0 0 -4,-3.4 4,-1.6 1,-0.2 3,-0.6 0.965 113.1 48.7 -48.7 -58.6 22.7 86.2 8.6 553 248 B A H 3X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.3 3,-0.3 0.875 110.9 51.4 -53.9 -43.1 18.9 85.8 9.0 554 249 B E H 3X S+ 0 0 19 -4,-2.8 4,-2.5 2,-0.2 5,-0.4 0.841 106.1 54.5 -57.8 -40.3 18.4 89.6 9.0 555 250 B L H << S+ 0 0 8 -4,-2.3 -97,-0.8 -3,-0.6 -1,-0.2 0.826 116.1 38.9 -65.7 -29.0 20.4 90.0 5.8 556 251 B L H < S+ 0 0 4 -4,-1.6 54,-0.3 -3,-0.3 -2,-0.2 0.827 120.1 44.8 -87.1 -39.0 18.1 87.5 4.1 557 252 B L H < S- 0 0 41 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.762 98.9-130.5 -75.9 -29.7 14.9 88.7 5.7 558 253 B G S < S+ 0 0 30 -4,-2.5 -3,-0.1 -5,-0.2 -4,-0.1 0.471 85.7 51.5 84.8 5.2 15.6 92.4 5.3 559 254 B Q S S- 0 0 125 -5,-0.4 -2,-0.2 -6,-0.2 -1,-0.1 -0.965 104.8 -72.4-164.4 158.3 14.7 93.0 8.9 560 255 B P - 0 0 34 0, 0.0 -9,-0.1 0, 0.0 -33,-0.1 -0.179 37.2-142.3 -57.3 154.2 15.8 91.5 12.3 561 256 B I S S+ 0 0 15 1,-0.2 -10,-0.0 -11,-0.2 -11,-0.0 0.804 93.4 31.1 -91.8 -29.8 14.5 88.0 12.9 562 257 B F + 0 0 0 -36,-0.3 2,-1.7 2,-0.1 -1,-0.2 -0.647 69.1 169.0-124.3 73.8 13.7 88.3 16.6 563 258 B P - 0 0 52 0, 0.0 -37,-0.1 0, 0.0 2,-0.1 -0.422 14.2-178.9 -87.8 65.8 12.8 92.0 17.2 564 259 B G - 0 0 0 -2,-1.7 6,-0.2 6,-0.2 -2,-0.1 -0.374 27.0-140.8 -63.9 140.3 11.5 91.7 20.7 565 260 B D S S+ 0 0 125 -2,-0.1 2,-0.3 -40,-0.0 -1,-0.1 0.260 81.9 14.7 -93.1 14.4 10.3 95.0 22.2 566 261 B S S > S- 0 0 40 1,-0.1 4,-2.6 -41,-0.0 -1,-0.0 -0.926 88.3 -96.1-169.8 164.5 11.7 94.2 25.7 567 262 B G T 4 S+ 0 0 26 -2,-0.3 4,-0.3 1,-0.2 -1,-0.1 0.861 129.1 43.3 -52.6 -37.4 14.2 91.8 27.3 568 263 B V T >> S+ 0 0 87 1,-0.2 3,-1.1 2,-0.2 4,-0.7 0.869 111.4 51.0 -77.6 -42.8 11.2 89.7 28.2 569 264 B D H >> S+ 0 0 29 1,-0.2 4,-1.9 2,-0.2 3,-0.7 0.835 92.9 79.8 -65.0 -28.8 9.4 90.0 24.8 570 265 B Q H 3X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.3 -1,-0.2 0.749 92.7 47.9 -49.6 -31.1 12.7 88.9 23.2 571 266 B L H <> S+ 0 0 1 -3,-1.1 4,-2.8 -4,-0.3 3,-0.3 0.852 104.0 58.7 -79.6 -38.3 11.9 85.3 24.0 572 267 B V H X>S+ 0 0 0 -4,-0.7 4,-2.3 -3,-0.3 3,-1.4 0.893 111.2 51.0 -80.9 -41.4 12.3 83.4 19.3 575 270 B I H 3X5S+ 0 0 5 -4,-2.8 4,-1.0 1,-0.3 -2,-0.2 0.952 96.4 70.7 -57.0 -48.6 9.6 80.9 20.2 576 271 B K H 3<5S+ 0 0 128 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.704 119.0 18.8 -37.4 -28.9 7.5 82.4 17.4 577 272 B V H <45S+ 0 0 14 -3,-1.4 26,-2.0 -4,-0.2 -2,-0.2 0.762 136.1 32.2-106.5 -70.0 10.0 80.7 15.1 578 273 B L H <5S- 0 0 30 -4,-2.3 -3,-0.2 24,-0.2 2,-0.2 0.882 101.6-134.8 -60.9 -43.2 11.9 78.0 16.9 579 274 B G << - 0 0 3 -4,-1.0 22,-0.2 -5,-0.6 -1,-0.2 -0.608 45.0 -28.7 111.7-176.6 9.1 77.0 19.3 580 275 B T - 0 0 27 20,-2.1 2,-0.2 -2,-0.2 22,-0.1 -0.592 69.2-115.9 -73.3 130.6 9.1 76.4 23.0 581 276 B P - 0 0 6 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.513 30.2-117.9 -63.4 130.3 12.4 75.1 24.3 582 277 B T > - 0 0 70 -2,-0.2 4,-2.8 1,-0.1 3,-0.4 -0.409 25.6-111.9 -63.7 145.0 12.2 71.5 25.7 583 278 B R H > S+ 0 0 215 1,-0.3 4,-3.3 2,-0.2 5,-0.3 0.928 123.4 57.4 -42.7 -55.5 13.0 71.3 29.4 584 279 B E H > S+ 0 0 110 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.902 109.6 43.5 -31.1 -60.2 16.1 69.4 28.2 585 280 B Q H > S+ 0 0 53 -3,-0.4 4,-0.8 2,-0.2 -2,-0.2 0.924 111.4 54.4 -61.5 -45.9 17.0 72.4 26.1 586 281 B I H >X S+ 0 0 35 -4,-2.8 4,-2.4 1,-0.2 3,-0.5 0.895 113.7 41.1 -54.8 -46.9 16.2 74.8 28.9 587 282 B R H 3< S+ 0 0 136 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.928 111.8 57.0 -63.1 -45.5 18.5 73.0 31.3 588 283 B E H 3< S+ 0 0 64 -4,-2.8 42,-0.3 -5,-0.3 -2,-0.2 0.539 112.2 42.6 -67.7 -10.4 21.1 72.6 28.4 589 284 B M H << S- 0 0 8 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.787 139.5 -10.1 -94.4 -48.7 21.0 76.4 28.2 590 285 B N S < S- 0 0 14 -4,-2.4 2,-1.1 -5,-0.2 -1,-0.2 -0.871 70.3-115.7-159.2 116.4 21.1 77.1 31.9 591 286 B P 0 0 90 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.389 360.0 360.0 -55.1 92.4 20.7 74.7 34.9 592 287 B N 0 0 130 -2,-1.1 -5,-0.1 -56,-0.0 -6,-0.0 0.179 360.0 360.0-170.4 360.0 17.4 76.2 36.3 593 ! 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 0.0 594 290 B E 0 0 104 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -43.6 12.0 79.6 35.7 595 291 B F - 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