==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 21-DEC-10 3Q3B . COMPND 2 MOLECULE: GLYCOGEN SYNTHASE KINASE-3 BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J PANDIT . 685 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32298.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 436 63.6 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 . 108 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 . 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 . 43 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 3 0 2 2 0 2 0 0 0 2 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 . 0 6 0 2 1 4 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 0 149 0, 0.0 2,-0.2 0, 0.0 22,-0.0 0.000 360.0 360.0 360.0-158.8 63.3 12.9 34.4 2 36 A K - 0 0 169 23,-0.0 22,-0.4 1,-0.0 2,-0.4 -0.434 360.0-172.0 -72.9 139.1 60.5 15.0 32.9 3 37 A V - 0 0 76 -2,-0.2 2,-0.4 20,-0.1 20,-0.2 -0.940 7.6-162.9-139.2 117.0 58.7 17.5 35.1 4 38 A T E -A 22 0A 49 18,-2.3 18,-2.1 -2,-0.4 2,-0.4 -0.768 5.6-171.1 -96.6 137.1 55.6 19.5 34.2 5 39 A T E +A 21 0A 72 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.964 12.3 169.2-132.6 116.6 54.6 22.6 36.3 6 40 A V E -A 20 0A 29 14,-2.8 14,-3.2 -2,-0.4 2,-0.6 -0.780 34.6-121.1-121.4 165.4 51.3 24.3 35.7 7 41 A V E -A 19 0A 98 -2,-0.3 2,-0.2 12,-0.2 12,-0.2 -0.943 40.8-174.3-109.1 117.2 49.2 26.9 37.5 8 42 A A E -A 18 0A 2 10,-2.9 10,-3.3 -2,-0.6 74,-0.2 -0.707 27.1-123.9-116.2 165.3 45.8 25.6 38.4 9 43 A T E -B 81 0A 28 72,-2.4 72,-1.6 -2,-0.2 6,-0.1 -0.874 41.7-107.1-100.8 129.2 42.5 26.7 39.9 10 44 A P E -B 80 0A 17 0, 0.0 70,-0.3 0, 0.0 69,-0.1 -0.197 23.2-123.4 -57.0 150.0 41.2 24.7 42.9 11 45 A G S S- 0 0 2 68,-3.9 68,-0.1 67,-0.1 69,-0.1 0.919 95.2 -9.3 -58.6 -49.0 38.4 22.4 42.3 12 46 A Q S S+ 0 0 72 67,-0.3 -1,-0.1 66,-0.1 3,-0.1 0.704 110.1 88.5-123.7 -36.5 36.1 23.9 45.0 13 47 A G S S- 0 0 36 1,-0.1 -4,-0.0 3,-0.1 0, 0.0 0.103 92.8 -66.3 -57.2-179.7 37.8 26.4 47.2 14 48 A P - 0 0 106 0, 0.0 2,-3.0 0, 0.0 -1,-0.1 -0.299 68.6 -80.6 -67.1 158.7 38.0 30.1 46.2 15 49 A D S S+ 0 0 100 -6,-0.1 -6,-0.0 -3,-0.1 -4,-0.0 -0.258 72.9 147.3 -62.7 65.0 40.1 31.0 43.1 16 50 A R - 0 0 185 -2,-3.0 -8,-0.1 0, 0.0 -1,-0.1 -0.812 48.6-131.0-104.8 91.2 43.5 30.9 44.8 17 51 A P - 0 0 78 0, 0.0 2,-0.3 0, 0.0 -8,-0.2 -0.022 23.0-153.3 -41.5 135.3 45.7 29.7 41.9 18 52 A Q E -A 8 0A 85 -10,-3.3 -10,-2.9 2,-0.0 2,-0.7 -0.871 13.8-128.4-117.7 150.6 48.0 26.8 42.8 19 53 A E E -A 7 0A 156 -2,-0.3 2,-0.5 -12,-0.2 -12,-0.2 -0.861 31.7-171.0 -98.4 118.6 51.4 25.8 41.4 20 54 A V E -A 6 0A 8 -14,-3.2 -14,-2.8 -2,-0.7 2,-0.4 -0.938 8.6-173.1-119.7 127.2 51.2 22.1 40.5 21 55 A S E +A 5 0A 27 -2,-0.5 21,-2.0 -16,-0.2 22,-0.3 -0.901 12.0 163.9-114.6 143.0 54.2 19.9 39.5 22 56 A Y E -AC 4 41A 19 -18,-2.1 -18,-2.3 -2,-0.4 19,-0.2 -0.989 11.6-177.7-158.5 149.4 53.9 16.3 38.3 23 57 A T E + C 0 40A 17 17,-2.7 17,-2.9 -2,-0.3 -20,-0.1 -0.700 55.5 63.9-133.7-176.0 56.0 13.6 36.5 24 58 A D E - 0 0 101 -22,-0.4 2,-1.1 -2,-0.2 -1,-0.1 0.878 61.6-176.0 64.9 41.9 55.5 10.1 35.3 25 59 A T E + 0 0 68 -3,-0.1 2,-0.3 14,-0.1 14,-0.2 -0.583 11.4 161.0 -81.9 101.8 52.8 10.8 32.7 26 60 A K E - C 0 38A 110 12,-1.5 12,-2.4 -2,-1.1 2,-0.2 -0.797 39.9-107.0-111.2 155.9 51.5 7.7 31.1 27 61 A V E + C 0 37A 75 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.547 31.8 174.2 -83.5 147.8 48.1 7.3 29.3 28 62 A I E + 0 0 70 8,-3.4 2,-0.2 1,-0.4 9,-0.2 0.323 62.1 11.2-135.6 11.0 45.2 5.5 30.8 29 63 A G E - C 0 36A 25 7,-0.6 7,-2.0 2,-0.0 -1,-0.4 -0.804 50.7-164.0 175.1 141.5 42.2 6.0 28.4 30 64 A N E + C 0 35A 128 -2,-0.2 2,-0.3 5,-0.2 5,-0.2 -0.880 23.5 141.8-128.9 161.1 41.2 7.3 24.9 31 65 A G - 0 0 34 3,-0.9 3,-0.5 -2,-0.3 -2,-0.0 -0.949 64.4 -76.8 173.8 166.1 37.9 8.2 23.5 32 66 A S S S+ 0 0 29 -2,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.908 127.8 52.0 -42.2 -51.8 35.9 10.5 21.3 33 67 A F S S- 0 0 79 1,-0.1 21,-0.7 -3,-0.1 2,-0.3 0.838 118.5-102.5 -54.5 -46.8 36.1 13.1 24.1 34 68 A G E - D 0 53A 18 -3,-0.5 -3,-0.9 19,-0.1 2,-0.3 -0.946 50.9 -31.8 159.0-133.8 39.8 12.9 24.6 35 69 A V E -CD 30 52A 28 17,-1.9 17,-2.6 -2,-0.3 2,-0.4 -0.921 27.6-155.3-131.6 156.9 42.4 11.4 26.9 36 70 A V E -CD 29 51A 30 -7,-2.0 -8,-3.4 -2,-0.3 -7,-0.6 -0.989 19.5-169.8-129.9 120.7 42.9 10.5 30.5 37 71 A Y E -CD 27 50A 54 13,-3.3 13,-2.7 -2,-0.4 2,-0.4 -0.794 17.9-140.1-111.3 151.8 46.4 10.3 32.0 38 72 A Q E +CD 26 49A 26 -12,-2.4 -12,-1.5 -2,-0.3 2,-0.3 -0.877 32.8 171.0-104.2 141.3 47.8 9.0 35.2 39 73 A A E - D 0 48A 0 9,-2.2 9,-2.4 -2,-0.4 2,-0.6 -0.982 31.0-125.4-150.3 158.6 50.5 11.2 36.8 40 74 A K E -CD 23 47A 70 -17,-2.9 -17,-2.7 -2,-0.3 7,-0.2 -0.939 25.5-127.6-114.3 118.7 52.5 11.4 40.0 41 75 A L E > -C 22 0A 2 5,-2.8 4,-1.3 -2,-0.6 -19,-0.3 -0.424 15.7-137.8 -63.3 129.3 52.5 14.7 41.9 42 76 A C T 4 S+ 0 0 52 -21,-2.0 -20,-0.1 -2,-0.2 -1,-0.1 0.946 92.6 42.2 -53.4 -59.2 56.0 15.8 42.6 43 77 A D T 4 S+ 0 0 121 -22,-0.3 -1,-0.1 1,-0.2 -21,-0.0 0.976 127.9 20.0 -53.2 -82.5 55.5 17.0 46.2 44 78 A S T 4 S- 0 0 63 1,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.653 94.0-128.9 -67.1 -20.3 53.3 14.4 48.0 45 79 A G < + 0 0 31 -4,-1.3 2,-0.2 1,-0.2 -3,-0.1 0.737 55.1 152.2 75.0 21.2 54.0 11.7 45.5 46 80 A E - 0 0 82 -5,-0.1 -5,-2.8 1,-0.1 -1,-0.2 -0.556 44.3-121.1 -83.2 149.5 50.2 11.0 45.1 47 81 A L E +D 40 0A 67 -7,-0.2 50,-0.8 -2,-0.2 2,-0.3 -0.565 33.6 179.7 -87.6 152.4 48.8 9.6 41.9 48 82 A V E -DE 39 96A 0 -9,-2.4 -9,-2.2 -2,-0.2 2,-0.4 -0.968 24.9-130.2-147.4 164.1 46.2 11.6 39.9 49 83 A A E -DE 38 95A 9 46,-2.5 46,-2.9 -2,-0.3 2,-0.5 -0.926 17.9-160.9-115.4 141.2 44.2 11.3 36.8 50 84 A I E -DE 37 94A 5 -13,-2.7 -13,-3.3 -2,-0.4 2,-0.7 -0.998 3.0-157.8-125.4 126.3 44.2 14.1 34.3 51 85 A K E -DE 36 93A 12 42,-2.1 42,-1.9 -2,-0.5 2,-0.5 -0.903 8.7-159.5-108.7 105.4 41.4 14.2 31.8 52 86 A K E +DE 35 92A 43 -17,-2.6 -17,-1.9 -2,-0.7 2,-0.3 -0.730 18.4 169.2 -89.4 124.5 42.3 16.3 28.7 53 87 A V E -DE 34 91A 22 38,-2.5 38,-2.8 -2,-0.5 2,-0.3 -0.928 39.1 -99.1-132.9 157.1 39.4 17.6 26.7 54 88 A L E - E 0 90A 85 -21,-0.7 2,-0.9 -2,-0.3 36,-0.2 -0.571 34.0-137.0 -75.9 132.2 39.0 20.1 23.8 55 89 A Q - 0 0 25 34,-3.7 2,-1.9 -2,-0.3 34,-0.2 -0.783 8.0-156.7-100.0 103.6 37.8 23.5 25.0 56 90 A D > - 0 0 46 -2,-0.9 3,-2.6 1,-0.2 34,-0.0 -0.541 5.7-158.6 -77.2 81.9 35.2 24.9 22.7 57 91 A K T 3 S+ 0 0 196 -2,-1.9 -1,-0.2 1,-0.3 4,-0.0 0.662 80.2 82.2 -28.7 -37.4 35.6 28.6 23.5 58 92 A R T 3 S+ 0 0 77 -3,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.796 106.8 8.3 -44.0 -37.5 32.0 29.2 22.2 59 93 A F S < S- 0 0 153 -3,-2.6 2,-0.3 0, 0.0 0, 0.0 -0.696 87.6 -88.7-133.7-174.0 30.6 28.1 25.6 60 94 A K - 0 0 123 -2,-0.2 2,-0.6 -5,-0.0 -2,-0.0 -0.793 54.0 -99.4 -97.9 144.5 31.7 27.2 29.1 61 95 A N > - 0 0 25 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 -0.545 29.2-158.2 -72.0 113.9 32.5 23.5 29.7 62 96 A R H > S+ 0 0 129 -2,-0.6 4,-2.0 1,-0.2 5,-0.2 0.818 90.1 57.6 -60.7 -34.5 29.5 21.8 31.3 63 97 A E H > S+ 0 0 21 1,-0.2 4,-2.9 2,-0.2 3,-0.4 0.983 109.0 47.8 -61.1 -50.1 31.4 18.9 32.7 64 98 A L H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.913 109.3 51.8 -53.8 -49.3 33.6 21.4 34.6 65 99 A Q H X S+ 0 0 72 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.851 113.7 44.7 -61.2 -32.1 30.6 23.4 35.9 66 100 A I H < S+ 0 0 13 -4,-2.0 3,-0.4 -3,-0.4 4,-0.4 0.922 114.2 47.4 -79.1 -41.7 29.0 20.3 37.2 67 101 A M H >< S+ 0 0 7 -4,-2.9 3,-1.4 -5,-0.2 11,-0.3 0.881 103.5 61.7 -68.0 -33.3 32.1 18.9 38.8 68 102 A R H 3< S+ 0 0 67 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.857 106.0 47.4 -60.3 -33.5 33.1 22.2 40.5 69 103 A K T 3< S+ 0 0 113 -4,-0.8 2,-0.4 -3,-0.4 -1,-0.3 0.446 94.6 94.4 -89.9 3.7 29.9 22.1 42.5 70 104 A L < + 0 0 9 -3,-1.4 8,-0.3 -4,-0.4 2,-0.3 -0.773 37.9 164.0-100.9 141.1 30.2 18.5 43.7 71 105 A D + 0 0 107 -2,-0.4 2,-0.3 6,-0.1 5,-0.1 -0.813 21.8 129.9-151.7 103.8 31.7 17.3 46.9 72 106 A H > - 0 0 18 3,-0.3 3,-1.8 -2,-0.3 -2,-0.0 -0.948 58.9-124.5-160.7 135.6 30.9 13.7 48.1 73 107 A C T 3 S+ 0 0 54 -2,-0.3 4,-0.1 1,-0.3 -1,-0.0 0.681 111.3 54.5 -56.0 -20.3 33.1 10.8 49.3 74 108 A N T 3 S+ 0 0 3 86,-0.1 87,-2.5 2,-0.1 2,-0.4 -0.060 96.7 75.9-105.5 29.5 31.6 8.6 46.6 75 109 A I B < S-g 161 0B 5 -3,-1.8 -3,-0.3 85,-0.3 87,-0.2 -0.997 92.2-107.0-139.8 133.6 32.4 10.8 43.7 76 110 A V - 0 0 8 85,-2.3 2,-0.3 -2,-0.4 -2,-0.1 -0.387 45.0-126.4 -58.1 133.7 35.8 11.2 42.2 77 111 A R - 0 0 96 -4,-0.1 19,-1.6 -6,-0.1 2,-0.7 -0.697 4.8-134.8 -92.2 143.5 36.9 14.6 43.3 78 112 A L E - F 0 95A 2 -2,-0.3 17,-0.3 -8,-0.3 -67,-0.1 -0.832 23.2-178.7 -91.1 116.5 38.2 17.4 41.0 79 113 A R E - 0 0 29 15,-3.3 -68,-3.9 -2,-0.7 2,-0.3 0.963 61.0 -22.7 -82.5 -64.3 41.3 18.8 42.6 80 114 A Y E -BF 10 94A 47 14,-0.8 14,-2.5 -70,-0.3 -1,-0.4 -0.949 56.7-150.7-141.9 162.6 42.3 21.5 40.2 81 115 A F E +BF 9 93A 7 -72,-1.6 -72,-2.4 -2,-0.3 2,-0.3 -0.953 16.0 173.5-132.8 153.7 41.7 22.3 36.6 82 116 A F E - F 0 92A 12 10,-1.7 10,-2.6 -2,-0.3 2,-0.2 -0.989 23.6-126.1-156.5 152.8 43.8 24.2 34.1 83 117 A Y E + F 0 91A 96 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.579 39.4 134.0 -99.8 166.1 43.8 25.0 30.4 84 118 A S E - F 0 90A 44 6,-1.8 6,-3.9 -2,-0.2 2,-0.2 -0.946 41.5 -80.8-176.8-161.7 46.6 24.3 27.9 85 119 A S 0 0 83 -2,-0.3 4,-0.1 4,-0.2 -31,-0.0 -0.607 360.0 360.0-121.1 179.5 47.5 23.0 24.4 86 120 A G 0 0 64 2,-0.3 0, 0.0 -2,-0.2 0, 0.0 -0.972 360.0 360.0 159.2 360.0 48.1 19.8 22.5 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 88 125 A E 0 0 164 0, 0.0 2,-0.6 0, 0.0 -2,-0.3 0.000 360.0 360.0 360.0 32.0 44.0 24.2 20.0 89 126 A V - 0 0 77 -34,-0.2 -34,-3.7 -4,-0.1 2,-0.4 -0.924 360.0-167.8-108.8 115.1 42.8 25.0 23.6 90 127 A Y E -EF 54 84A 53 -6,-3.9 -6,-1.8 -2,-0.6 2,-0.5 -0.875 14.0-145.5-110.2 134.4 42.5 22.0 25.9 91 128 A L E -EF 53 83A 2 -38,-2.8 -38,-2.5 -2,-0.4 2,-0.5 -0.797 17.5-159.5 -91.7 129.1 40.7 21.8 29.4 92 129 A N E -EF 52 82A 0 -10,-2.6 -10,-1.7 -2,-0.5 2,-0.6 -0.937 4.9-161.9-117.4 121.7 42.5 19.5 31.9 93 130 A L E -EF 51 81A 4 -42,-1.9 -42,-2.1 -2,-0.5 2,-0.8 -0.873 6.2-155.8-102.5 117.3 40.7 18.1 34.9 94 131 A V E +EF 50 80A 6 -14,-2.5 -15,-3.3 -2,-0.6 -14,-0.8 -0.819 26.7 169.5 -93.0 111.8 42.9 16.8 37.7 95 132 A L E -EF 49 78A 21 -46,-2.9 -46,-2.5 -2,-0.8 -17,-0.2 -0.724 41.3 -78.4-118.6 168.5 41.0 14.2 39.6 96 133 A D E -E 48 0A 24 -19,-1.6 2,-0.4 -2,-0.2 -48,-0.2 -0.348 47.1-123.1 -63.8 143.5 41.7 11.6 42.3 97 134 A Y - 0 0 72 -50,-0.8 -50,-0.1 -58,-0.1 -1,-0.1 -0.738 28.0-171.7 -88.9 136.0 43.3 8.5 41.0 98 135 A V - 0 0 17 -2,-0.4 54,-0.1 1,-0.1 55,-0.1 -0.975 18.8-138.6-135.7 122.4 41.5 5.2 41.7 99 136 A P S S+ 0 0 44 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 0.832 71.5 14.5 -36.9 -70.8 43.0 1.7 41.0 100 137 A E E -H 152 0B 38 52,-2.2 52,-2.3 4,-0.0 2,-0.3 -0.406 59.6-136.2-112.0-175.3 40.1 -0.4 39.6 101 138 A T E > -H 151 0B 21 50,-0.3 4,-2.7 -2,-0.1 50,-0.2 -0.964 28.9-118.0-138.8 152.0 36.6 -0.2 38.1 102 139 A V H > S+ 0 0 2 48,-2.7 4,-3.5 45,-0.7 5,-0.3 0.890 115.4 61.1 -59.4 -33.5 33.5 -2.4 38.7 103 140 A Y H > S+ 0 0 83 44,-1.2 4,-1.4 47,-0.3 -1,-0.2 0.941 109.4 38.9 -56.2 -52.7 33.8 -3.3 35.1 104 141 A R H > S+ 0 0 88 2,-0.2 4,-2.4 43,-0.2 -2,-0.2 0.943 117.7 48.8 -67.6 -45.5 37.2 -4.9 35.5 105 142 A V H X S+ 0 0 21 -4,-2.7 4,-1.7 1,-0.2 5,-0.2 0.967 111.0 48.7 -59.8 -52.5 36.5 -6.4 38.8 106 143 A A H X S+ 0 0 23 -4,-3.5 4,-1.7 1,-0.2 -1,-0.2 0.840 111.1 54.6 -58.2 -27.7 33.2 -7.9 37.7 107 144 A R H X S+ 0 0 80 -4,-1.4 4,-2.4 -5,-0.3 -1,-0.2 0.923 99.2 57.1 -74.7 -42.0 35.0 -9.3 34.7 108 145 A H H < S+ 0 0 98 -4,-2.4 6,-0.2 1,-0.2 -1,-0.2 0.925 112.3 44.2 -53.4 -41.8 37.8 -11.0 36.6 109 146 A Y H ><>S+ 0 0 74 -4,-1.7 5,-1.9 1,-0.2 3,-1.0 0.900 110.3 57.2 -70.5 -35.3 35.1 -13.0 38.4 110 147 A S H ><5S+ 0 0 56 -4,-1.7 3,-1.4 1,-0.3 2,-0.6 0.922 103.1 48.8 -62.9 -48.4 33.2 -13.6 35.2 111 148 A R T 3<5S+ 0 0 176 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.1 -0.104 109.8 57.0 -87.0 42.3 35.9 -15.3 33.2 112 149 A A T < 5S- 0 0 41 -3,-1.0 -1,-0.3 -2,-0.6 -2,-0.2 -0.047 113.2-115.8-153.3 22.0 36.5 -17.6 36.2 113 150 A K T < 5S+ 0 0 205 -3,-1.4 2,-0.2 1,-0.1 -3,-0.2 0.561 82.0 111.3 47.4 13.6 32.9 -18.9 36.4 114 151 A Q < - 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0 0 110 6,-0.1 6,-0.2 0, 0.0 5,-0.1 -0.930 35.4 -98.3-142.1 163.3 37.2 -13.6 -13.0 657 350 B L > - 0 0 8 4,-2.8 3,-2.5 -2,-0.3 6,-0.1 -0.455 39.0-107.1 -81.2 160.0 37.3 -14.6 -9.3 658 351 B P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.886 121.2 57.1 -55.0 -34.8 40.7 -15.1 -7.6 659 352 B N T 3 S- 0 0 80 -156,-0.1 3,-0.1 1,-0.1 -2,-0.0 0.361 121.0-108.8 -79.3 9.1 40.0 -18.9 -7.6 660 353 B G S < S+ 0 0 44 -3,-2.5 -1,-0.1 1,-0.3 2,-0.0 0.242 79.4 121.1 87.7 -15.3 39.6 -18.9 -11.3 661 354 B R - 0 0 129 -158,-0.2 -4,-2.8 1,-0.1 -1,-0.3 -0.263 68.9 -92.6 -75.5 168.9 35.8 -19.4 -11.5 662 355 B D - 0 0 112 -6,-0.2 -6,-0.1 1,-0.1 -1,-0.1 -0.359 42.7 -98.6 -78.2 161.8 33.4 -16.9 -13.2 663 356 B T - 0 0 29 -8,-0.4 3,-0.1 1,-0.1 -1,-0.1 -0.460 47.9 -98.8 -76.2 155.8 31.7 -14.1 -11.3 664 357 B P - 0 0 23 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.042 59.0 -62.0 -65.3 173.4 28.0 -14.8 -10.3 665 358 B A + 0 0 57 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.422 66.7 159.6 -57.6 122.1 25.0 -13.6 -12.2 666 359 B L + 0 0 2 -2,-0.2 -1,-0.2 -3,-0.1 -16,-0.0 0.577 62.9 39.5-124.1 -13.9 25.4 -9.8 -12.0 667 360 B F + 0 0 30 1,-0.1 2,-2.9 23,-0.1 -2,-0.1 0.340 68.9 114.2-121.7 5.7 23.4 -8.3 -14.8 668 361 B N + 0 0 83 17,-0.0 -1,-0.1 2,-0.0 17,-0.1 -0.177 49.5 170.7 -74.3 51.0 20.2 -10.4 -15.0 669 362 B F - 0 0 23 -2,-2.9 2,-0.3 12,-0.1 -2,-0.1 -0.229 20.9-147.4 -60.9 150.7 18.2 -7.3 -13.9 670 363 B T > - 0 0 65 1,-0.1 4,-2.2 0, 0.0 5,-0.2 -0.750 27.6-110.3-113.5 167.3 14.3 -7.3 -14.1 671 364 B T H > S+ 0 0 122 -2,-0.3 4,-1.2 1,-0.2 -1,-0.1 0.886 120.6 58.6 -63.3 -36.2 11.9 -4.5 -14.8 672 365 B Q H >4 S+ 0 0 70 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.968 108.3 43.6 -55.7 -55.1 11.0 -4.7 -11.2 673 366 B E H >4 S+ 0 0 5 1,-0.3 3,-0.6 2,-0.1 -1,-0.2 0.846 117.1 45.9 -59.9 -39.0 14.6 -4.0 -10.1 674 367 B L H >< S+ 0 0 21 -4,-2.2 3,-2.7 1,-0.2 -1,-0.3 0.578 83.9 99.2 -83.1 -7.1 15.1 -1.3 -12.6 675 368 B S T << + 0 0 61 -4,-1.2 -1,-0.2 -3,-1.0 -2,-0.1 0.790 68.9 66.9 -54.9 -29.8 11.9 0.4 -11.9 676 369 B S T < S- 0 0 71 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 0.755 132.5 -9.8 -64.1 -16.6 13.3 3.1 -9.6 677 370 B N X - 0 0 46 -3,-2.7 3,-2.1 -4,-0.1 4,-0.2 -0.201 64.8-172.1 177.8 76.5 15.2 4.4 -12.7 678 371 B P G > S+ 0 0 77 0, 0.0 3,-2.6 0, 0.0 4,-0.3 0.806 79.8 71.7 -45.5 -45.8 15.1 2.4 -16.0 679 372 B P G > S+ 0 0 87 0, 0.0 3,-1.5 0, 0.0 4,-0.1 0.786 84.7 71.6 -47.6 -27.2 17.6 4.6 -17.9 680 373 B L G X> S+ 0 0 24 -3,-2.1 3,-3.3 1,-0.3 4,-2.3 0.796 75.8 80.5 -60.3 -28.9 20.3 3.1 -15.6 681 374 B A H <> S+ 0 0 26 -3,-2.6 4,-2.1 1,-0.3 -1,-0.3 0.786 77.3 71.6 -47.3 -32.8 20.0 -0.2 -17.5 682 375 B T H <4 S+ 0 0 121 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.672 114.0 25.3 -60.6 -15.8 22.2 1.3 -20.2 683 376 B I H <4 S+ 0 0 76 -3,-3.3 -2,-0.2 -4,-0.1 -1,-0.2 0.692 115.9 60.3-114.1 -42.2 25.0 1.0 -17.6 684 377 B L H < S+ 0 0 0 -4,-2.3 -3,-0.2 1,-0.2 -2,-0.2 0.810 105.5 52.3 -59.9 -30.0 23.9 -1.8 -15.4 685 378 B I S < S- 0 0 63 -4,-2.1 -1,-0.2 -5,-0.2 -18,-0.1 -0.868 86.5-148.1-111.5 99.8 23.9 -4.3 -18.3 686 379 B P > - 0 0 9 0, 0.0 3,-1.1 0, 0.0 -3,-0.1 -0.229 26.2-103.0 -66.3 154.7 27.2 -4.2 -20.2 687 380 B P T 3 S+ 0 0 133 0, 0.0 -4,-0.0 0, 0.0 -2,-0.0 0.867 119.4 45.6 -42.8 -52.1 27.4 -4.8 -23.9 688 381 B H T 3 S+ 0 0 88 2,-0.1 2,-0.1 0, 0.0 -36,-0.0 0.781 87.6 107.9 -68.8 -26.6 28.7 -8.3 -23.7 689 382 B A < 0 0 12 -3,-1.1 -4,-0.0 -38,-0.1 -38,-0.0 -0.311 360.0 360.0 -57.3 124.2 26.2 -9.4 -21.0 690 383 B R 0 0 258 -2,-0.1 -1,-0.1 -22,-0.0 -23,-0.1 -0.299 360.0 360.0 -62.1 360.0 23.5 -11.8 -22.3