==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 12-FEB-13 4J71 . COMPND 2 MOLECULE: GLYCOGEN SYNTHASE KINASE-3 BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.ZHAN,Y.WANG,J.WACH,P.SHEEHAN,C.ZHONG,R.HARRIS,Y.PATSKOVSKY . 698 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32244.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 438 62.8 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 . 112 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.7 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 44 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 23.1 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 8 1 2 1 3 0 5 0 0 0 0 1 1 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 0 3 5 2 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 36 A K 0 0 122 0, 0.0 22,-0.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 130.6 -55.8 38.5 14.3 2 37 A V E -A 22 0A 96 20,-0.1 2,-0.4 21,-0.1 20,-0.2 -0.953 360.0-158.5-112.9 124.9 -53.2 41.1 15.0 3 38 A T E -A 21 0A 56 18,-3.3 18,-2.5 -2,-0.5 2,-0.4 -0.824 4.1-164.7-106.7 141.0 -51.7 41.3 18.5 4 39 A T E +A 20 0A 79 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.984 12.4 168.8-126.2 131.8 -50.0 44.3 20.1 5 40 A V E -A 19 0A 25 14,-2.6 14,-3.2 -2,-0.4 2,-0.9 -0.925 40.0-114.7-134.0 160.6 -47.9 44.3 23.2 6 41 A V E +A 18 0A 96 -2,-0.3 76,-0.4 12,-0.2 2,-0.4 -0.863 48.8 178.2 -95.0 104.6 -45.6 46.8 25.0 7 42 A A E -A 17 0A 0 10,-2.9 10,-2.8 -2,-0.9 74,-0.2 -0.868 26.4-136.9-118.3 142.7 -42.3 45.0 24.6 8 43 A T E -B 80 0A 15 72,-2.4 72,-1.6 -2,-0.4 6,-0.1 -0.822 32.3-109.7 -95.9 129.9 -38.7 46.0 25.7 9 44 A P E -B 79 0A 23 0, 0.0 70,-0.3 0, 0.0 69,-0.1 -0.218 25.7-131.4 -53.1 147.0 -35.8 45.3 23.3 10 45 A G S S+ 0 0 1 68,-1.9 68,-0.2 67,-0.4 69,-0.1 0.963 97.3 14.7 -70.6 -56.4 -33.6 42.5 24.5 11 46 A Q S S+ 0 0 66 66,-0.5 -1,-0.1 67,-0.2 3,-0.1 0.654 113.7 89.2 -94.3 -19.0 -30.1 43.9 24.2 12 47 A G S S- 0 0 28 1,-0.2 -4,-0.0 3,-0.0 0, 0.0 -0.002 92.5 -64.1 -71.4-179.9 -31.2 47.6 23.8 13 48 A P - 0 0 81 0, 0.0 2,-2.3 0, 0.0 -1,-0.2 -0.166 60.8 -92.9 -63.2 161.4 -31.8 50.2 26.5 14 49 A D S S+ 0 0 110 -6,-0.1 -6,-0.0 -3,-0.1 -4,-0.0 -0.319 82.4 122.8 -81.2 59.9 -34.6 49.6 29.0 15 50 A R - 0 0 183 -2,-2.3 -8,-0.1 -6,-0.1 -1,-0.0 -0.902 55.2-135.2-129.8 106.3 -37.4 51.5 27.1 16 51 A P - 0 0 79 0, 0.0 2,-0.3 0, 0.0 -8,-0.3 -0.209 24.0-176.7 -61.5 137.4 -40.6 49.7 26.2 17 52 A Q E -A 7 0A 90 -10,-2.8 -10,-2.9 -12,-0.0 2,-0.3 -0.907 33.6 -93.3-130.1 162.4 -42.1 50.1 22.7 18 53 A E E -A 6 0A 155 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.583 40.9-171.8 -74.9 131.2 -45.3 48.8 21.0 19 54 A V E -A 5 0A 14 -14,-3.2 -14,-2.6 -2,-0.3 2,-0.4 -0.992 4.3-163.1-127.5 132.0 -44.8 45.6 19.0 20 55 A S E +A 4 0A 35 -2,-0.4 21,-2.4 -16,-0.2 22,-0.5 -0.926 15.1 162.5-116.2 138.4 -47.4 44.0 16.7 21 56 A Y E +AC 3 40A 24 -18,-2.5 -18,-3.3 -2,-0.4 2,-0.2 -0.977 8.4 179.1-147.0 160.4 -47.5 40.5 15.4 22 57 A T E +AC 2 39A 24 17,-2.1 17,-2.5 -2,-0.3 -20,-0.1 -0.791 52.9 68.4-145.0-172.0 -49.9 38.0 13.8 23 58 A D E - 0 0 89 -22,-0.6 2,-0.5 -2,-0.2 -1,-0.2 0.948 67.3-176.5 57.9 51.4 -50.1 34.5 12.4 24 59 A T E + 0 0 40 -23,-0.2 2,-0.3 14,-0.1 14,-0.2 -0.701 10.8 158.9 -89.5 125.0 -49.6 33.0 15.9 25 60 A K E - C 0 37A 60 12,-1.9 12,-2.8 -2,-0.5 580,-0.2 -0.999 41.4-107.0-144.6 147.0 -49.4 29.2 16.3 26 61 A V E + C 0 36A 15 578,-1.7 580,-0.4 -2,-0.3 10,-0.2 -0.454 41.1 156.7 -69.5 137.5 -48.1 26.8 18.9 27 62 A I E + 0 0 43 8,-3.0 2,-0.3 1,-0.3 9,-0.2 0.387 58.9 35.8-136.9 -7.6 -44.8 25.0 18.0 28 63 A G E - C 0 35A 13 7,-1.7 7,-1.8 549,-0.1 2,-0.3 -0.966 51.9-172.0-153.2 165.4 -43.4 24.0 21.3 29 64 A N E + C 0 34A 35 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.896 15.1 141.4-150.9 168.9 -44.0 22.9 24.9 30 65 A G E > - C 0 33A 7 3,-1.0 3,-0.9 -2,-0.3 500,-0.1 -0.911 63.3 -76.5 163.7 171.4 -42.3 22.3 28.2 31 66 A S T 3 S+ 0 0 107 -2,-0.3 499,-0.1 1,-0.3 -1,-0.1 0.749 125.9 58.2 -61.4 -23.0 -42.4 22.5 32.0 32 67 A F T 3 S- 0 0 51 1,-0.1 21,-1.5 20,-0.1 2,-0.3 0.766 119.5 -99.7 -79.9 -28.0 -41.8 26.2 31.5 33 68 A G E < -CD 30 52A 23 -3,-0.9 -3,-1.0 19,-0.2 2,-0.3 -0.902 57.8 -30.2 150.6-119.0 -44.8 26.8 29.4 34 69 A V E -CD 29 51A 36 17,-1.8 17,-3.4 -2,-0.3 2,-0.4 -0.936 35.7-143.6-142.9 156.3 -45.4 27.2 25.7 35 70 A V E -CD 28 50A 8 -7,-1.8 -8,-3.0 -2,-0.3 -7,-1.7 -0.991 19.2-168.8-129.0 126.8 -43.6 28.4 22.5 36 71 A Y E -CD 26 49A 31 13,-2.6 13,-2.6 -2,-0.4 2,-0.4 -0.747 17.0-138.0-110.3 157.2 -45.3 30.2 19.6 37 72 A Q E +CD 25 48A 26 -12,-2.8 -12,-1.9 -2,-0.3 2,-0.3 -0.943 34.2 163.9-106.6 139.0 -44.4 31.1 16.1 38 73 A A E - D 0 47A 0 9,-2.6 9,-2.8 -2,-0.4 2,-0.5 -0.950 33.2-126.5-146.8 166.3 -45.4 34.6 14.9 39 74 A K E -CD 22 46A 74 -17,-2.5 -17,-2.1 -2,-0.3 2,-0.2 -0.981 25.8-126.4-119.8 126.8 -44.7 37.2 12.2 40 75 A L E > -C 21 0A 12 5,-2.7 4,-1.8 -2,-0.5 -19,-0.3 -0.510 11.1-141.9 -69.9 131.3 -43.8 40.8 13.1 41 76 A C T 4 S+ 0 0 60 -21,-2.4 -1,-0.1 -2,-0.2 -20,-0.1 0.802 96.9 51.1 -64.5 -29.7 -46.0 43.3 11.3 42 77 A D T 4 S+ 0 0 161 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.994 128.0 14.1 -70.6 -65.7 -43.1 45.6 10.8 43 78 A S T 4 S- 0 0 56 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.466 89.1-132.5 -93.2 -3.3 -40.4 43.5 9.2 44 79 A G < + 0 0 39 -4,-1.8 -3,-0.1 1,-0.2 2,-0.1 0.606 58.4 150.0 57.6 9.5 -42.7 40.5 8.3 45 80 A E - 0 0 86 -5,-0.1 -5,-2.7 -6,-0.1 -1,-0.2 -0.436 48.6-116.0 -72.8 145.6 -39.9 38.5 9.9 46 81 A L E +D 39 0A 70 -7,-0.2 53,-0.7 53,-0.1 2,-0.3 -0.557 37.4 177.5 -81.5 145.7 -40.7 35.3 11.7 47 82 A V E -DE 38 98A 0 -9,-2.8 -9,-2.6 -2,-0.2 2,-0.4 -0.992 27.1-128.2-147.1 154.2 -40.1 34.9 15.4 48 83 A A E -DE 37 97A 0 49,-2.4 49,-3.5 -2,-0.3 2,-0.6 -0.848 17.8-156.4 -97.8 138.1 -40.5 32.5 18.3 49 84 A I E -DE 36 96A 2 -13,-2.6 -13,-2.6 -2,-0.4 2,-0.7 -0.950 3.6-159.1-115.3 112.1 -42.2 33.6 21.5 50 85 A K E -DE 35 95A 3 45,-2.9 45,-3.0 -2,-0.6 2,-0.6 -0.803 8.8-159.2 -90.3 117.8 -41.3 31.6 24.5 51 86 A K E +DE 34 94A 44 -17,-3.4 -17,-1.8 -2,-0.7 2,-0.4 -0.869 13.8 178.1-105.5 114.5 -44.0 32.0 27.2 52 87 A V E -DE 33 93A 14 41,-2.9 41,-2.8 -2,-0.6 -19,-0.2 -0.940 33.2-115.8-120.7 134.2 -42.9 31.2 30.8 53 88 A L E - E 0 92A 81 -21,-1.5 2,-0.5 -2,-0.4 39,-0.2 -0.479 38.3-144.4 -63.7 132.6 -44.9 31.5 34.0 54 89 A Q E - E 0 91A 29 37,-3.0 2,-1.5 -2,-0.2 37,-0.7 -0.901 14.9-143.9-115.5 124.8 -43.3 34.1 36.1 55 90 A D > - 0 0 83 -2,-0.5 3,-2.0 1,-0.2 35,-0.1 -0.664 19.5-153.9 -78.5 89.2 -42.9 34.2 39.9 56 91 A K T 3 S+ 0 0 158 -2,-1.5 -1,-0.2 1,-0.3 34,-0.0 0.651 89.4 59.9 -42.3 -19.7 -43.4 38.0 40.2 57 92 A R T 3 S+ 0 0 199 2,-0.1 -1,-0.3 -3,-0.0 2,-0.2 0.880 105.0 46.4 -80.5 -40.1 -41.4 37.8 43.5 58 93 A F S < S- 0 0 149 -3,-2.0 2,-0.2 1,-0.0 -3,-0.1 -0.691 86.7-109.1-104.7 157.9 -38.1 36.4 42.0 59 94 A K - 0 0 174 -2,-0.2 2,-0.7 1,-0.1 3,-0.1 -0.540 33.6-109.6 -82.8 148.7 -36.2 37.4 38.9 60 95 A N > - 0 0 24 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 -0.702 21.4-158.9 -82.6 113.4 -36.1 35.2 35.8 61 96 A R H > S+ 0 0 142 -2,-0.7 4,-2.2 1,-0.2 5,-0.2 0.849 91.3 52.5 -58.9 -38.1 -32.6 33.7 35.4 62 97 A E H > S+ 0 0 17 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.892 108.2 50.4 -69.5 -39.6 -33.1 33.0 31.7 63 98 A L H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.962 109.5 51.1 -59.2 -52.2 -34.1 36.6 31.0 64 99 A Q H X S+ 0 0 87 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.933 114.9 42.6 -51.0 -53.3 -31.1 38.0 32.8 65 100 A I H >X S+ 0 0 9 -4,-2.2 4,-1.0 1,-0.2 3,-0.9 0.924 111.6 54.1 -61.0 -47.2 -28.7 35.8 30.9 66 101 A M H 3< S+ 0 0 5 -4,-2.9 3,-0.4 1,-0.2 11,-0.4 0.855 104.1 55.8 -58.9 -36.2 -30.4 36.3 27.5 67 102 A R H 3< S+ 0 0 70 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.792 105.5 52.8 -67.6 -27.5 -30.1 40.1 27.9 68 103 A K H << S+ 0 0 114 -4,-0.9 2,-0.2 -3,-0.9 -1,-0.2 0.749 92.8 91.3 -77.1 -25.3 -26.3 39.9 28.3 69 104 A L < + 0 0 5 -4,-1.0 8,-0.3 -3,-0.4 2,-0.2 -0.515 37.6 163.7 -87.0 139.0 -25.7 37.8 25.2 70 105 A D + 0 0 110 -2,-0.2 2,-0.3 6,-0.1 5,-0.1 -0.657 26.9 133.6-148.7 87.4 -24.9 39.2 21.7 71 106 A H > - 0 0 16 3,-0.3 3,-1.7 -2,-0.2 62,-0.0 -0.998 57.2-132.5-146.0 141.3 -23.4 36.5 19.4 72 107 A C T 3 S+ 0 0 53 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.764 110.8 51.0 -60.0 -28.3 -23.9 35.3 15.8 73 108 A N T 3 S+ 0 0 2 89,-0.1 90,-2.4 56,-0.1 2,-0.4 0.058 101.7 74.3-102.4 24.4 -23.9 31.7 17.0 74 109 A I B < S-g 163 0B 2 -3,-1.7 -3,-0.3 88,-0.3 2,-0.2 -1.000 89.5-110.8-133.9 135.4 -26.6 32.3 19.7 75 110 A V - 0 0 1 88,-2.7 2,-0.3 -2,-0.4 -2,-0.1 -0.466 43.8-132.3 -61.3 125.7 -30.3 32.9 19.1 76 111 A R - 0 0 102 -2,-0.2 22,-1.2 -4,-0.1 2,-0.8 -0.625 5.1-122.0 -92.6 142.7 -30.8 36.6 20.0 77 112 A L E - F 0 97A 3 -11,-0.4 -66,-0.5 -2,-0.3 -67,-0.4 -0.703 27.9-179.1 -78.0 107.6 -33.5 38.0 22.3 78 113 A R E - 0 0 29 18,-2.5 -68,-1.9 -2,-0.8 2,-0.3 0.947 63.1 -21.9 -71.0 -50.8 -35.4 40.5 20.1 79 114 A Y E -BF 9 96A 51 17,-1.4 17,-3.1 -70,-0.3 2,-0.3 -0.945 52.2-149.3-151.8 165.2 -37.9 41.6 22.8 80 115 A F E +BF 8 95A 12 -72,-1.6 -72,-2.4 -2,-0.3 2,-0.3 -0.982 21.2 163.1-143.5 141.1 -39.5 40.6 26.1 81 116 A F E - F 0 94A 7 13,-1.8 13,-3.3 -2,-0.3 2,-0.3 -0.912 27.8-120.2-144.8 172.5 -42.9 41.4 27.5 82 117 A Y E + F 0 93A 117 -76,-0.4 2,-0.3 -2,-0.3 11,-0.2 -0.821 27.3 173.1-117.6 158.0 -45.4 40.3 30.1 83 118 A S E - F 0 92A 36 9,-1.8 9,-3.0 -2,-0.3 2,-0.2 -0.953 32.1 -99.0-153.4 167.7 -49.0 39.1 29.8 84 119 A S E + F 0 91A 108 -2,-0.3 7,-0.2 7,-0.2 4,-0.1 -0.538 36.3 171.1 -89.3 161.9 -51.8 37.6 31.8 85 120 A G - 0 0 39 5,-0.7 -1,-0.1 2,-0.5 3,-0.1 0.366 53.1 -32.7-132.1 -96.0 -52.6 33.9 31.8 86 121 A E S S+ 0 0 81 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 0.728 112.1 39.4-102.8 -91.5 -55.1 32.0 34.0 87 122 A K S > S- 0 0 55 1,-0.1 3,-1.3 2,-0.1 -2,-0.5 -0.151 85.6-112.5 -58.7 158.3 -55.6 33.2 37.6 88 123 A K T 3 S+ 0 0 119 1,-0.2 -1,-0.1 -4,-0.1 0, 0.0 0.668 117.2 53.0 -67.6 -15.7 -55.8 36.9 38.2 89 124 A D T 3 S+ 0 0 86 2,-0.0 2,-0.4 -5,-0.0 -1,-0.2 0.427 86.7 101.9-100.9 -1.3 -52.5 36.7 40.1 90 125 A E < - 0 0 66 -3,-1.3 -5,-0.7 -35,-0.1 2,-0.4 -0.705 49.1-169.9 -91.5 133.5 -50.5 34.9 37.4 91 126 A V E -EF 54 84A 34 -37,-0.7 -37,-3.0 -2,-0.4 2,-0.5 -0.979 6.8-153.2-124.7 132.3 -48.0 36.8 35.2 92 127 A Y E -EF 53 83A 40 -9,-3.0 -9,-1.8 -2,-0.4 2,-0.4 -0.888 5.7-146.4-109.4 130.3 -46.2 35.4 32.1 93 128 A L E -EF 52 82A 0 -41,-2.8 -41,-2.9 -2,-0.5 2,-0.5 -0.752 16.5-155.8 -85.1 136.8 -42.9 36.5 30.8 94 129 A N E -EF 51 81A 7 -13,-3.3 -13,-1.8 -2,-0.4 2,-0.6 -0.970 4.1-159.1-120.1 125.3 -42.6 36.3 27.0 95 130 A L E -EF 50 80A 0 -45,-3.0 -45,-2.9 -2,-0.5 2,-0.8 -0.894 5.4-155.3-103.5 119.0 -39.3 35.9 25.2 96 131 A V E +EF 49 79A 5 -17,-3.1 -18,-2.5 -2,-0.6 -17,-1.4 -0.840 28.7 172.3 -96.3 109.5 -39.3 37.0 21.5 97 132 A L E -EF 48 77A 4 -49,-3.5 -49,-2.4 -2,-0.8 -20,-0.2 -0.700 39.3 -79.5-118.2 161.7 -36.5 35.1 19.9 98 133 A D E -E 47 0A 17 -22,-1.2 2,-0.7 -2,-0.2 -51,-0.2 -0.248 46.0-128.8 -50.2 145.8 -35.0 34.5 16.4 99 134 A Y + 0 0 56 -53,-0.7 -53,-0.1 -52,-0.1 -1,-0.1 -0.915 38.4 160.3-106.8 112.5 -37.0 31.9 14.5 100 135 A V - 0 0 17 -2,-0.7 55,-0.1 1,-0.1 54,-0.1 -0.954 15.6-172.1-133.8 113.8 -34.9 29.1 13.1 101 136 A P + 0 0 61 0, 0.0 -1,-0.1 0, 0.0 54,-0.1 0.886 57.7 75.3 -81.5 -43.7 -36.8 26.0 12.2 102 137 A E E -H 154 0B 37 52,-0.7 52,-2.9 4,-0.1 2,-0.3 -0.348 61.2-165.6 -73.1 151.2 -34.2 23.3 11.3 103 138 A T E > -H 153 0B 16 50,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.957 35.5-117.9-134.5 154.2 -32.1 21.7 14.0 104 139 A V H > S+ 0 0 1 48,-2.5 4,-2.6 45,-0.5 5,-0.2 0.848 116.9 57.9 -53.4 -33.4 -29.0 19.5 14.1 105 140 A Y H > S+ 0 0 54 44,-1.2 4,-1.5 47,-0.3 -1,-0.2 0.928 108.2 41.3 -66.7 -46.5 -31.2 16.9 15.5 106 141 A R H > S+ 0 0 89 2,-0.2 4,-2.2 43,-0.2 -2,-0.2 0.922 116.3 50.4 -67.5 -44.4 -33.7 16.7 12.6 107 142 A V H X S+ 0 0 23 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.922 111.9 46.7 -59.1 -46.2 -30.9 17.0 10.1 108 143 A A H X S+ 0 0 20 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.798 109.8 55.6 -67.5 -27.9 -28.9 14.2 11.7 109 144 A R H X S+ 0 0 44 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.891 101.0 56.6 -72.7 -40.3 -32.1 12.1 11.9 110 145 A H H X S+ 0 0 107 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.923 112.4 42.9 -53.9 -46.5 -32.7 12.4 8.2 111 146 A Y H <>S+ 0 0 73 -4,-1.4 5,-3.1 2,-0.2 -2,-0.2 0.909 112.0 53.0 -67.2 -43.7 -29.3 10.9 7.5 112 147 A S H ><5S+ 0 0 56 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.901 110.8 46.6 -60.3 -42.4 -29.6 8.2 10.2 113 148 A R H 3<5S+ 0 0 179 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.740 109.9 53.3 -74.7 -23.5 -32.9 7.0 8.8 114 149 A A T 3<5S- 0 0 63 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.228 113.6-119.6 -90.1 13.3 -31.5 7.0 5.2 115 150 A K T < 5S+ 0 0 194 -3,-1.2 2,-0.2 1,-0.2 -3,-0.2 0.845 74.7 129.3 49.2 35.9 -28.6 4.8 6.5 116 151 A Q < - 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0 0 10 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.1 -0.800 60.4-160.2-148.9 104.1 -59.6 21.6 27.1 600 286 B P S S+ 0 0 48 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.779 78.7 77.2 -52.5 -32.0 -62.7 23.9 27.5 601 287 B N S S- 0 0 107 1,-0.1 2,-0.3 -5,-0.1 -2,-0.1 -0.437 94.4-103.4 -77.3 156.6 -60.4 26.9 27.0 602 288 B Y - 0 0 208 -2,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.641 36.8-170.5 -88.7 137.8 -59.3 27.8 23.5 603 289 B T - 0 0 28 -2,-0.3 -1,-0.1 -4,-0.1 -60,-0.0 -0.034 26.5-122.2-102.0-153.8 -55.8 27.0 22.3 604 290 B E + 0 0 81 -2,-0.1 -578,-1.7 2,-0.0 2,-0.3 -0.035 49.2 146.8-149.6 34.8 -53.8 28.0 19.1 605 291 B F - 0 0 40 -580,-0.2 2,-0.7 -62,-0.1 -2,-0.1 -0.612 32.4-155.6 -78.5 132.7 -52.8 24.7 17.5 606 292 B K + 0 0 160 -580,-0.4 -1,-0.0 -2,-0.3 -581,-0.0 -0.870 31.5 143.9-113.9 99.2 -52.7 24.8 13.7 607 293 B F - 0 0 61 -2,-0.7 2,-0.1 3,-0.0 3,-0.0 -0.976 42.7-121.8-133.3 148.9 -53.2 21.4 12.1 608 294 B P - 0 0 94 0, 0.0 2,-0.5 0, 0.0 -19,-0.1 -0.455 42.6 -88.3 -82.5 158.7 -54.9 20.2 8.9 609 295 B Q - 0 0 188 -2,-0.1 2,-0.4 -21,-0.1 -21,-0.0 -0.569 49.2-178.0 -70.5 117.8 -57.7 17.6 8.8 610 296 B I - 0 0 77 -2,-0.5 -21,-2.8 -26,-0.0 2,-0.0 -0.976 23.5-123.8-120.1 130.9 -56.2 14.1 8.6 611 297 B K - 0 0 195 -2,-0.4 -23,-0.3 -23,-0.2 2,-0.1 -0.328 33.2 -98.8 -73.8 154.1 -58.5 11.0 8.4 612 298 B A - 0 0 65 -25,-0.3 -25,-0.2 -23,-0.1 -1,-0.1 -0.439 26.5-125.3 -76.9 143.0 -58.1 8.2 11.0 613 299 B H - 0 0 99 -27,-2.4 5,-0.1 -2,-0.1 -1,-0.1 -0.737 36.8-108.0 -81.5 128.4 -56.2 5.1 10.3 614 300 B P >> - 0 0 73 0, 0.0 3,-1.6 0, 0.0 4,-0.8 -0.365 23.8-130.2 -60.3 135.0 -58.4 2.0 10.9 615 301 B W H >> S+ 0 0 59 1,-0.3 3,-2.7 2,-0.2 4,-1.1 0.929 105.0 59.1 -50.2 -58.4 -57.4 0.2 14.1 616 302 B T H 34 S+ 0 0 101 1,-0.3 -1,-0.3 2,-0.2 7,-0.1 0.708 107.7 51.4 -47.3 -20.6 -57.2 -3.3 12.6 617 303 B K H <4 S+ 0 0 145 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.688 96.9 66.9 -91.1 -21.2 -54.6 -1.7 10.2 618 304 B V H << S+ 0 0 29 -3,-2.7 -2,-0.2 -4,-0.8 -1,-0.1 0.865 100.1 52.4 -66.6 -37.5 -52.5 -0.2 13.0 619 305 B F S < S- 0 0 14 -4,-1.1 -53,-0.1 1,-0.2 -57,-0.0 -0.345 99.3 -74.2 -99.8 175.9 -51.3 -3.5 14.4 620 306 B R > - 0 0 133 -55,-0.2 3,-1.9 1,-0.1 -1,-0.2 -0.329 46.0-112.6 -64.2 150.3 -49.7 -6.7 13.1 621 307 B P T 3 S+ 0 0 142 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.795 115.9 56.1 -55.0 -31.8 -51.9 -9.1 11.1 622 308 B R T 3 S+ 0 0 93 2,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.235 78.4 125.8 -89.2 14.8 -51.8 -11.7 13.9 623 309 B T < - 0 0 18 -3,-1.9 -4,-0.1 -7,-0.1 5,-0.1 -0.626 67.2-112.8 -82.0 124.2 -53.1 -9.3 16.6 624 310 B P > - 0 0 30 0, 0.0 4,-1.6 0, 0.0 3,-0.4 -0.273 18.7-132.2 -55.1 132.7 -56.1 -10.6 18.5 625 311 B P H > S+ 0 0 93 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.847 103.9 57.5 -54.5 -43.1 -59.3 -8.5 17.9 626 312 B E H > S+ 0 0 73 2,-0.2 4,-2.4 1,-0.2 27,-0.3 0.892 104.8 52.0 -59.8 -41.0 -60.2 -8.2 21.6 627 313 B A H > S+ 0 0 0 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.941 113.3 44.5 -57.6 -48.4 -56.8 -6.6 22.2 628 314 B I H X S+ 0 0 17 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.895 111.0 53.8 -62.4 -42.4 -57.5 -4.1 19.4 629 315 B A H X S+ 0 0 41 -4,-3.1 4,-0.7 1,-0.2 -1,-0.2 0.884 108.9 49.9 -60.4 -39.4 -61.0 -3.5 20.7 630 316 B L H >X S+ 0 0 0 -4,-2.4 3,-1.5 -5,-0.2 4,-0.9 0.959 106.4 54.6 -66.1 -52.1 -59.7 -2.7 24.1 631 317 B C H >X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.3 3,-2.1 0.919 103.3 56.1 -41.6 -55.5 -57.1 -0.2 22.7 632 318 B S H 3< S+ 0 0 30 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.731 107.6 49.0 -57.2 -24.3 -59.8 1.7 20.9 633 319 B R H << S+ 0 0 107 -3,-1.5 10,-1.9 -4,-0.7 -1,-0.3 0.543 116.8 42.0 -92.4 -9.5 -61.7 2.2 24.2 634 320 B L H << S+ 0 0 0 -3,-2.1 2,-1.6 -4,-0.9 -2,-0.2 0.829 109.1 56.1 -97.3 -49.9 -58.5 3.4 26.0 635 321 B L S < S+ 0 0 2 -4,-3.2 2,-0.4 -5,-0.2 -1,-0.2 -0.475 76.0 133.5 -88.5 66.6 -57.0 5.7 23.3 636 322 B E - 0 0 54 -2,-1.6 6,-0.1 -3,-0.2 5,-0.1 -0.899 57.9-134.4-113.3 146.5 -59.9 8.1 22.7 637 323 B Y S S+ 0 0 8 -2,-0.4 -97,-0.2 -50,-0.1 -1,-0.1 0.953 92.3 75.8 -59.8 -51.9 -59.7 11.8 22.5 638 324 B T S >> S- 0 0 21 1,-0.2 3,-1.2 2,-0.1 4,-0.6 -0.509 73.5-155.2 -66.9 112.5 -62.7 12.3 24.8 639 325 B P G >4 S+ 0 0 17 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.848 92.6 53.4 -59.3 -38.0 -61.4 11.6 28.3 640 326 B T G 34 S+ 0 0 128 1,-0.2 -2,-0.1 -43,-0.1 -3,-0.0 0.659 101.2 62.4 -72.3 -15.5 -64.9 10.6 29.6 641 327 B A G <4 S+ 0 0 31 -3,-1.2 -1,-0.2 -5,-0.1 2,-0.1 0.647 83.0 98.4 -84.3 -16.2 -65.3 8.1 26.7 642 328 B R S << S- 0 0 11 -3,-0.9 -8,-0.2 -4,-0.6 -9,-0.1 -0.456 84.2-102.7 -72.1 142.8 -62.3 6.0 27.9 643 329 B L - 0 0 15 -10,-1.9 -1,-0.1 -13,-0.2 -2,-0.1 -0.182 33.1-116.2 -54.1 153.9 -63.0 2.9 29.9 644 330 B T > - 0 0 54 1,-0.1 4,-2.7 -4,-0.0 5,-0.2 -0.615 32.2-105.4 -83.0 158.2 -62.5 3.0 33.7 645 331 B P H > S+ 0 0 9 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.880 122.7 49.5 -51.3 -43.2 -59.8 0.7 35.0 646 332 B L H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.956 110.7 48.7 -61.3 -52.0 -62.5 -1.7 36.4 647 333 B E H 4 S+ 0 0 72 1,-0.2 -1,-0.2 2,-0.2 -4,-0.1 0.867 111.1 52.1 -54.3 -38.7 -64.3 -1.7 33.1 648 334 B A H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.895 106.4 52.9 -65.4 -40.4 -61.0 -2.4 31.4 649 335 B C H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.837 107.8 52.4 -61.3 -33.4 -60.3 -5.3 33.8 650 336 B A T 3< S+ 0 0 17 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.312 85.7 122.9 -87.1 7.5 -63.7 -6.7 32.8 651 337 B H S X S- 0 0 32 -3,-1.5 3,-1.5 -5,-0.1 4,-0.2 -0.279 74.9-115.6 -71.4 156.3 -63.0 -6.6 29.1 652 338 B S G > S+ 0 0 66 1,-0.3 3,-2.5 2,-0.2 4,-0.4 0.836 109.7 73.4 -58.0 -35.0 -63.1 -9.7 26.9 653 339 B F G 3 S+ 0 0 0 -27,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.787 100.0 45.9 -52.7 -28.7 -59.4 -9.4 26.2 654 340 B F G X> S+ 0 0 0 -3,-1.5 3,-2.3 -6,-0.2 4,-0.6 0.445 78.6 106.1 -96.1 -0.9 -58.8 -10.7 29.8 655 341 B D H X> S+ 0 0 81 -3,-2.5 3,-2.7 1,-0.3 4,-0.5 0.866 72.6 62.9 -44.3 -46.5 -61.4 -13.5 29.7 656 342 B E H >4 S+ 0 0 84 -4,-0.4 3,-0.7 -3,-0.3 -1,-0.3 0.762 96.2 59.2 -55.1 -27.2 -58.5 -16.1 29.5 657 343 B L H <4 S+ 0 0 1 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.679 102.6 53.9 -74.8 -16.9 -57.3 -15.0 32.9 658 344 B R H << S+ 0 0 22 -3,-2.7 -1,-0.2 -4,-0.6 -2,-0.2 0.486 81.4 109.6 -95.9 -5.5 -60.7 -15.9 34.3 659 345 B D X< - 0 0 70 -3,-0.7 3,-2.3 -4,-0.5 -3,-0.0 -0.607 69.9-138.9 -72.2 124.1 -60.5 -19.5 32.9 660 346 B P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.732 102.1 54.9 -56.0 -24.0 -60.1 -21.9 35.8 661 347 B N T 3 S+ 0 0 124 2,-0.0 -4,-0.1 -5,-0.0 -2,-0.0 0.420 78.7 123.6 -92.6 -0.6 -57.6 -23.8 33.8 662 348 B V < + 0 0 18 -3,-2.3 8,-0.4 -6,-0.2 2,-0.3 -0.346 35.6 174.8 -65.7 141.0 -55.3 -20.9 33.0 663 349 B K - 0 0 110 6,-0.2 6,-0.2 -2,-0.0 5,-0.1 -0.957 35.1 -97.3-142.0 158.3 -51.6 -21.3 34.0 664 350 B L > - 0 0 8 4,-3.1 3,-2.6 -2,-0.3 6,-0.1 -0.464 40.1-111.8 -71.2 150.5 -48.4 -19.4 33.7 665 351 B P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -194,-0.0 0.723 119.1 62.2 -56.2 -21.1 -46.1 -20.5 30.8 666 352 B N T 3 S- 0 0 73 -160,-0.1 3,-0.1 2,-0.1 -2,-0.1 0.296 121.7-107.6 -88.0 9.7 -43.7 -21.8 33.5 667 353 B G S < S+ 0 0 54 -3,-2.6 -1,-0.0 1,-0.3 -3,-0.0 0.014 82.8 118.9 92.7 -28.7 -46.4 -24.2 34.7 668 354 B R S S- 0 0 134 -162,-0.1 -4,-3.1 1,-0.1 -1,-0.3 -0.115 71.6 -93.7 -66.6 166.0 -47.1 -22.3 37.9 669 355 B D - 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0 0 8 0, 0.0 3,-2.1 0, 0.0 -3,-0.1 -0.310 26.2-109.0 -74.3 159.4 -65.6 -15.7 38.3 694 380 B P G > S+ 0 0 87 0, 0.0 3,-3.0 0, 0.0 -4,-0.0 0.914 115.9 60.5 -60.4 -42.0 -67.6 -18.4 40.0 695 381 B H G 3 S+ 0 0 89 1,-0.3 -36,-0.0 -37,-0.2 -3,-0.0 0.635 105.6 54.2 -64.4 -10.2 -64.8 -20.8 40.3 696 382 B A G < 0 0 40 -3,-2.1 -1,-0.3 1,-0.1 -22,-0.0 0.325 360.0 360.0-104.3 8.5 -63.2 -18.1 42.3 697 383 B R < 0 0 186 -3,-3.0 -2,-0.2 -4,-0.1 -1,-0.1 0.807 360.0 360.0-105.0 360.0 -65.8 -17.4 44.9 698 !* 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 0.0 699 501 A X 0 0 50 0, 0.0 -534,-0.3 0, 0.0 -601,-0.2 0.000 360.0 360.0 360.0 360.0 -36.4 28.3 20.4 700 !* 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 0.0 701 501 B X 0 0 49 0, 0.0 -187,-0.4 0, 0.0 -254,-0.1 0.000 360.0 360.0 360.0 360.0 -38.5 2.2 42.6