==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/PEPTIDE 27-NOV-12 3ZDI . COMPND 2 MOLECULE: GLYCOGEN SYNTHASE KINASE-3 BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.E.OBERHOLZER,L.H.PEARL . 366 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18063.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 22 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 1 1 0 1 1 0 1 1 0 0 1 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 . 1 3 0 1 2 1 1 1 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 36 A K 0 0 205 0, 0.0 2,-0.5 0, 0.0 22,-0.5 0.000 360.0 360.0 360.0 104.8 -2.4 15.0 2.6 2 37 A V - 0 0 89 20,-0.1 2,-0.5 21,-0.1 20,-0.2 -0.903 360.0-155.7-111.7 127.1 -5.6 14.4 0.7 3 38 A T E -A 21 0A 28 18,-2.6 18,-2.9 -2,-0.5 2,-0.5 -0.854 5.3-165.1-102.4 130.1 -6.0 11.7 -1.9 4 39 A T E +A 20 0A 81 -2,-0.5 2,-0.3 16,-0.2 16,-0.2 -0.965 16.0 167.7-117.0 125.6 -8.6 12.0 -4.7 5 40 A V E -A 19 0A 24 14,-3.0 14,-3.3 -2,-0.5 2,-0.8 -0.848 40.9-113.7-130.2 165.2 -9.5 8.9 -6.8 6 41 A V E -A 18 0A 95 -2,-0.3 76,-0.3 12,-0.2 12,-0.2 -0.854 46.8-175.7-101.1 99.6 -12.2 7.9 -9.3 7 42 A A E -A 17 0A 1 10,-2.3 10,-3.2 -2,-0.8 74,-0.2 -0.635 21.7-138.1-103.9 154.5 -14.1 5.1 -7.5 8 43 A T E -B 80 0A 17 72,-2.7 72,-1.6 8,-0.3 4,-0.0 -0.920 32.0-106.9-110.6 131.7 -16.9 2.8 -8.5 9 44 A P E -B 79 0A 16 0, 0.0 70,-0.3 0, 0.0 5,-0.2 -0.314 30.1-129.1 -55.7 137.5 -19.8 2.0 -6.1 10 45 A G S S+ 0 0 1 68,-2.4 68,-0.2 67,-0.4 69,-0.1 0.946 98.3 3.7 -61.5 -59.4 -19.5 -1.5 -4.7 11 46 A Q S S+ 0 0 62 66,-0.4 -1,-0.2 67,-0.2 67,-0.1 0.383 115.6 114.3 -99.9 1.6 -22.9 -3.0 -5.4 12 47 A G S S- 0 0 29 66,-0.2 -4,-0.0 1,-0.1 67,-0.0 0.267 87.5 -71.7 -72.3-169.8 -24.0 0.2 -7.2 13 48 A P - 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.465 66.3-113.3 -59.1 -11.8 -25.0 1.3 -10.7 14 49 A D S S+ 0 0 94 -5,-0.2 -6,-0.1 1,-0.2 -4,-0.0 0.862 71.9 137.5 68.3 39.7 -21.4 1.0 -12.0 15 50 A R - 0 0 164 -8,-0.0 -1,-0.2 -6,-0.0 -8,-0.1 -0.945 50.6-135.7-111.2 107.8 -21.1 4.7 -12.6 16 51 A P - 0 0 77 0, 0.0 2,-0.3 0, 0.0 -8,-0.3 -0.292 26.3-175.3 -62.1 143.8 -17.6 5.8 -11.3 17 52 A Q E -A 7 0A 80 -10,-3.2 -10,-2.3 -12,-0.0 2,-0.4 -0.939 31.7 -93.0-138.5 160.2 -17.4 9.0 -9.3 18 53 A E E -A 6 0A 159 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.596 42.2-176.2 -77.2 128.9 -14.7 11.2 -7.7 19 54 A V E -A 5 0A 10 -14,-3.3 -14,-3.0 -2,-0.4 2,-0.4 -0.993 8.4-161.5-130.2 130.2 -14.0 10.4 -4.1 20 55 A S E +A 4 0A 33 -2,-0.4 21,-2.7 -16,-0.2 22,-0.5 -0.919 14.9 169.5-113.9 135.8 -11.6 12.2 -1.8 21 56 A Y E +AC 3 40A 29 -18,-2.9 -18,-2.6 -2,-0.4 2,-0.2 -0.910 5.6 175.7-138.4 167.7 -10.1 10.8 1.5 22 57 A T E + C 0 39A 25 17,-1.9 17,-2.7 -2,-0.3 -20,-0.1 -0.862 48.9 67.2-154.4-174.8 -7.4 11.6 4.0 23 58 A D E - 0 0 77 -22,-0.5 2,-0.5 -2,-0.2 -1,-0.1 0.913 63.7-163.3 56.3 49.9 -5.8 10.6 7.4 24 59 A T E + 0 0 73 -23,-0.3 2,-0.3 14,-0.1 14,-0.2 -0.514 16.8 167.7 -71.0 114.6 -4.3 7.4 6.0 25 60 A K E - C 0 37A 122 12,-2.7 12,-4.9 -2,-0.5 2,-0.5 -0.959 36.3-113.4-128.2 147.3 -3.3 5.0 8.8 26 61 A V E + C 0 36A 100 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.676 27.2 177.6 -82.7 123.7 -2.4 1.3 8.7 27 62 A I E - 0 0 86 8,-2.7 2,-0.3 -2,-0.5 9,-0.2 0.879 53.5 -89.4 -86.2 -46.6 -4.8 -1.0 10.4 28 63 A G E - C 0 35A 26 7,-1.8 7,-4.5 0, 0.0 2,-0.6 -0.985 54.2 -38.6 163.2-168.1 -3.0 -4.2 9.6 29 64 A N E - C 0 34A 144 -2,-0.3 5,-0.2 5,-0.3 21,-0.0 -0.784 48.7-162.7 -93.2 116.0 -2.5 -7.1 7.2 30 65 A G - 0 0 17 3,-1.3 3,-0.3 -2,-0.6 5,-0.1 -0.028 47.3 -75.7 -77.1-170.3 -5.5 -8.5 5.5 31 66 A S S S+ 0 0 34 1,-0.3 2,-0.4 3,-0.0 3,-0.1 0.948 123.6 6.5 -55.4 -54.1 -5.7 -11.9 3.7 32 67 A F S S+ 0 0 136 1,-0.2 -1,-0.3 2,-0.0 -2,-0.0 -0.960 131.7 2.6-132.7 117.1 -3.8 -10.5 0.7 33 68 A G S S- 0 0 37 -2,-0.4 -3,-1.3 -3,-0.3 -1,-0.2 0.076 92.8 -70.7 87.1 155.5 -2.4 -7.0 0.9 34 69 A V E -C 29 0A 44 17,-0.3 17,-1.8 -5,-0.2 2,-0.5 -0.402 39.4-126.6 -87.9 159.1 -2.5 -4.7 3.9 35 70 A V E -CD 28 50A 24 -7,-4.5 -8,-2.7 15,-0.2 -7,-1.8 -0.901 22.9-166.4-111.3 126.6 -5.5 -2.8 5.3 36 71 A Y E -CD 26 49A 69 13,-3.1 13,-3.2 -2,-0.5 2,-0.4 -0.732 13.7-136.9-107.5 156.3 -5.5 1.0 5.8 37 72 A Q E +CD 25 48A 30 -12,-4.9 -12,-2.7 -2,-0.3 2,-0.3 -0.873 32.1 162.4-106.1 147.2 -7.8 3.3 7.7 38 73 A A E - D 0 47A 0 9,-2.0 9,-2.7 -2,-0.4 2,-0.5 -0.972 33.0-121.6-156.7 168.2 -9.0 6.6 6.2 39 74 A K E -CD 22 46A 78 -17,-2.7 -17,-1.9 -2,-0.3 2,-0.3 -0.972 24.2-128.0-123.0 124.2 -11.6 9.4 6.4 40 75 A L E > -C 21 0A 6 5,-2.7 4,-2.0 -2,-0.5 -19,-0.3 -0.528 12.4-147.0 -69.1 128.2 -13.9 10.4 3.6 41 76 A C T 4 S+ 0 0 65 -21,-2.7 -1,-0.1 -2,-0.3 -20,-0.1 0.896 94.2 49.7 -63.6 -42.7 -13.7 14.2 3.0 42 77 A D T 4 S+ 0 0 107 -22,-0.5 -1,-0.1 1,-0.1 -21,-0.1 0.991 127.9 17.0 -57.9 -67.7 -17.3 14.4 2.0 43 78 A S T 4 S- 0 0 57 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.812 89.5-130.7 -80.7 -33.4 -19.0 12.6 4.8 44 79 A G < + 0 0 40 -4,-2.0 -3,-0.1 1,-0.3 -2,-0.1 0.351 59.2 145.2 91.2 -4.4 -16.3 12.6 7.4 45 80 A E - 0 0 95 -6,-0.1 -5,-2.7 1,-0.1 2,-0.3 -0.269 50.3-120.5 -66.2 150.7 -16.9 8.8 7.8 46 81 A L E -D 39 0A 71 -7,-0.2 53,-0.9 53,-0.1 2,-0.3 -0.737 34.0-177.8 -90.8 142.0 -14.1 6.4 8.6 47 82 A V E -DE 38 98A 0 -9,-2.7 -9,-2.0 -2,-0.3 2,-0.4 -0.942 25.0-127.0-135.7 158.5 -13.4 3.6 6.1 48 83 A A E -DE 37 97A 11 49,-1.8 49,-4.1 -2,-0.3 2,-0.5 -0.899 21.4-162.4-103.2 137.5 -11.1 0.6 5.8 49 84 A I E -DE 36 96A 8 -13,-3.2 -13,-3.1 -2,-0.4 2,-0.8 -0.937 4.0-165.6-124.5 109.3 -9.1 0.3 2.5 50 85 A K E -DE 35 95A 3 45,-2.0 45,-2.3 -2,-0.5 2,-0.6 -0.834 9.8-158.1 -94.3 109.1 -7.6 -3.1 1.6 51 86 A K E + E 0 94A 56 -17,-1.8 2,-0.3 -2,-0.8 -17,-0.3 -0.783 17.1 179.6 -88.3 117.7 -5.1 -2.6 -1.2 52 87 A V E - E 0 93A 5 41,-3.0 41,-3.2 -2,-0.6 2,-0.5 -0.880 32.3-110.1-119.3 151.3 -4.5 -5.8 -3.1 53 88 A L E - E 0 92A 101 -2,-0.3 2,-0.4 39,-0.2 39,-0.2 -0.667 36.3-158.0 -79.6 124.9 -2.2 -6.6 -6.0 54 89 A Q E - E 0 91A 19 37,-2.8 37,-0.9 -2,-0.5 2,-0.5 -0.886 10.7-142.8-110.8 136.0 -4.2 -7.3 -9.2 55 90 A D > - 0 0 53 -2,-0.4 3,-1.3 3,-0.2 35,-0.1 -0.835 9.9-146.3 -94.1 128.2 -3.2 -9.2 -12.3 56 91 A K T 3 S+ 0 0 158 -2,-0.5 -1,-0.1 1,-0.3 3,-0.0 0.631 90.9 69.4 -68.7 -13.4 -4.5 -7.7 -15.5 57 92 A R T 3 S+ 0 0 216 1,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.534 107.1 22.7 -89.4 -7.5 -4.8 -11.1 -17.1 58 93 A F S < S- 0 0 126 -3,-1.3 -3,-0.2 0, 0.0 2,-0.1 -0.988 84.2 -95.0-154.0 161.6 -7.7 -12.3 -15.0 59 94 A K - 0 0 164 -2,-0.3 2,-0.6 1,-0.1 -2,-0.0 -0.379 39.0-107.6 -79.4 154.0 -10.6 -11.0 -12.8 60 95 A N > - 0 0 27 1,-0.2 4,-1.7 -2,-0.1 -1,-0.1 -0.713 21.5-157.9 -84.0 120.4 -10.4 -10.6 -9.0 61 96 A R H > S+ 0 0 133 -2,-0.6 4,-2.1 1,-0.2 5,-0.2 0.921 90.9 52.1 -64.3 -47.5 -12.5 -13.3 -7.2 62 97 A E H > S+ 0 0 17 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.901 108.4 52.2 -55.9 -44.0 -13.0 -11.3 -4.0 63 98 A L H > S+ 0 0 18 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.896 107.4 51.9 -62.0 -41.6 -14.2 -8.3 -5.9 64 99 A Q H < S+ 0 0 108 -4,-1.7 4,-0.2 1,-0.2 -1,-0.2 0.924 114.2 43.4 -60.0 -45.6 -16.8 -10.4 -7.7 65 100 A I H >X S+ 0 0 4 -4,-2.1 3,-1.9 1,-0.2 4,-0.8 0.936 110.8 54.3 -64.5 -48.3 -18.1 -11.8 -4.5 66 101 A M H 3< S+ 0 0 5 -4,-3.0 3,-0.5 1,-0.3 11,-0.4 0.798 99.6 61.1 -61.0 -32.1 -18.1 -8.4 -2.6 67 102 A R T 3< S+ 0 0 67 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.577 104.4 51.5 -73.0 -8.6 -20.2 -6.7 -5.3 68 103 A K T <4 S+ 0 0 93 -3,-1.9 2,-0.4 -4,-0.2 -1,-0.2 0.722 92.2 91.5 -93.7 -26.0 -23.0 -9.2 -4.6 69 104 A L < + 0 0 7 -4,-0.8 8,-0.4 -3,-0.5 2,-0.3 -0.595 34.1 158.7 -91.8 123.6 -23.2 -8.8 -0.8 70 105 A D + 0 0 101 -2,-0.4 2,-0.3 6,-0.1 5,-0.1 -0.883 24.8 137.3-133.5 110.4 -25.4 -6.4 1.2 71 106 A H > - 0 0 16 3,-0.4 3,-1.6 -2,-0.3 62,-0.0 -0.993 55.4-130.9-153.7 143.2 -26.0 -7.4 4.8 72 107 A C T 3 S+ 0 0 44 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.768 111.2 48.9 -65.5 -27.1 -26.1 -5.7 8.2 73 108 A N T 3 S+ 0 0 3 89,-0.1 90,-3.0 56,-0.1 2,-0.4 0.249 102.6 73.7 -96.4 7.9 -23.8 -8.3 9.7 74 109 A I B < S-g 163 0B 4 -3,-1.6 -3,-0.4 88,-0.3 2,-0.3 -0.982 89.6-108.5-122.5 138.1 -21.2 -8.2 6.8 75 110 A V - 0 0 7 88,-3.0 2,-0.2 -2,-0.4 -6,-0.1 -0.472 44.9-132.4 -61.1 125.6 -18.6 -5.4 6.2 76 111 A R - 0 0 74 -2,-0.3 22,-1.1 -4,-0.1 2,-1.0 -0.569 4.4-123.4 -92.7 144.4 -19.9 -3.7 3.1 77 112 A L E + F 0 97A 0 -8,-0.4 -66,-0.4 -11,-0.4 -67,-0.4 -0.752 30.1 177.8 -82.2 102.5 -17.9 -2.7 -0.0 78 113 A R E - 0 0 37 18,-2.3 -68,-2.4 -2,-1.0 2,-0.3 0.984 63.0 -23.1 -66.9 -62.2 -18.5 1.1 -0.3 79 114 A Y E -BF 9 96A 44 17,-1.1 17,-2.7 -70,-0.3 2,-0.3 -0.895 54.2-149.7-140.4 169.9 -16.3 1.6 -3.4 80 115 A F E +BF 8 95A 12 -72,-1.6 -72,-2.7 -2,-0.3 2,-0.3 -0.987 19.7 166.6-141.7 149.0 -13.5 0.1 -5.3 81 116 A F E - F 0 94A 7 13,-1.8 13,-3.3 -2,-0.3 2,-0.3 -0.972 26.6-117.7-153.7 166.2 -10.8 1.8 -7.4 82 117 A Y E + F 0 93A 118 -76,-0.3 2,-0.3 -2,-0.3 -76,-0.2 -0.812 28.8 166.0-113.3 149.6 -7.4 1.0 -9.0 83 118 A S E - F 0 92A 35 9,-2.0 9,-3.8 -2,-0.3 2,-0.3 -0.934 20.7-135.7-148.2 170.9 -3.9 2.5 -8.5 84 119 A S E + F 0 91A 88 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.813 41.9 95.7-127.0 170.3 -0.3 1.8 -9.4 85 120 A G + 0 0 25 5,-0.6 5,-0.3 -2,-0.3 -2,-0.0 -0.889 27.6 101.7 142.9-172.4 3.0 1.8 -7.6 86 121 A E S S- 0 0 69 -2,-0.3 -1,-0.2 1,-0.2 4,-0.1 0.994 125.4 -25.5 57.1 72.1 5.5 -0.4 -5.7 87 122 A K S S- 0 0 108 -3,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.384 102.4-133.5 72.9 -1.9 8.1 -0.8 -8.5 88 123 A K S S+ 0 0 51 1,-0.1 3,-0.1 2,-0.0 0, 0.0 -0.157 73.9 115.4 52.8-143.8 5.1 -0.2 -10.8 89 124 A D S S+ 0 0 107 1,-0.1 2,-0.3 -5,-0.0 -1,-0.1 0.318 82.3 57.7 63.9 -7.8 4.6 -2.5 -13.8 90 125 A E S S- 0 0 48 -5,-0.3 -5,-0.6 -35,-0.1 2,-0.4 -0.864 77.2-116.6-143.9 176.1 1.4 -3.5 -12.2 91 126 A V E -EF 54 84A 33 -37,-0.9 -37,-2.8 -2,-0.3 2,-0.4 -0.935 16.4-145.5-122.8 139.6 -2.0 -2.4 -10.8 92 127 A Y E -EF 53 83A 38 -9,-3.8 -9,-2.0 -2,-0.4 2,-0.6 -0.857 10.3-141.3-102.3 138.9 -3.5 -2.5 -7.3 93 128 A L E -EF 52 82A 0 -41,-3.2 -41,-3.0 -2,-0.4 2,-0.6 -0.882 17.0-156.4 -97.2 122.4 -7.1 -3.1 -6.5 94 129 A N E -EF 51 81A 5 -13,-3.3 -13,-1.8 -2,-0.6 2,-0.7 -0.874 1.7-158.4-106.8 116.2 -8.3 -0.9 -3.6 95 130 A L E -EF 50 80A 0 -45,-2.3 -45,-2.0 -2,-0.6 2,-0.8 -0.821 4.7-154.6 -97.1 113.1 -11.4 -2.1 -1.7 96 131 A V E +EF 49 79A 8 -17,-2.7 -18,-2.3 -2,-0.7 -17,-1.1 -0.782 28.4 172.5 -89.0 112.7 -13.2 0.7 0.3 97 132 A L E -EF 48 77A 21 -49,-4.1 -49,-1.8 -2,-0.8 -20,-0.2 -0.606 38.7 -80.7-117.4 169.8 -15.0 -1.0 3.2 98 133 A D E -E 47 0A 20 -22,-1.1 2,-0.5 -51,-0.2 -51,-0.2 -0.465 45.9-129.8 -61.6 140.1 -17.0 -0.2 6.3 99 134 A Y - 0 0 74 -53,-0.9 -53,-0.1 -2,-0.1 -1,-0.1 -0.864 26.5-177.4 -94.9 129.7 -14.7 0.7 9.2 100 135 A V - 0 0 18 -2,-0.5 55,-0.1 1,-0.1 54,-0.1 -0.997 19.4-145.7-128.0 134.9 -15.4 -1.2 12.4 101 136 A P + 0 0 53 0, 0.0 2,-0.3 0, 0.0 54,-0.2 0.739 69.0 38.3 -73.4 -29.8 -13.4 -0.4 15.6 102 137 A E E -H 154 0B 38 52,-2.3 52,-4.1 4,-0.0 2,-0.3 -0.777 56.6-148.4-129.0 164.6 -13.1 -3.8 17.4 103 138 A T E > -H 153 0B 25 50,-0.3 4,-1.7 -2,-0.3 50,-0.2 -0.913 28.0-124.0-126.1 156.0 -12.7 -7.5 16.9 104 139 A V H > S+ 0 0 3 48,-2.0 4,-3.3 45,-0.8 5,-0.3 0.856 113.1 59.8 -63.9 -34.6 -14.0 -10.5 18.9 105 140 A Y H > S+ 0 0 85 44,-1.2 4,-2.5 47,-0.2 5,-0.2 0.948 105.7 45.6 -57.4 -51.9 -10.3 -11.6 19.3 106 141 A R H > S+ 0 0 141 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.871 116.5 46.1 -60.1 -39.0 -9.4 -8.3 21.1 107 142 A V H X S+ 0 0 27 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.912 113.2 48.0 -71.2 -44.6 -12.5 -8.6 23.3 108 143 A A H X S+ 0 0 22 -4,-3.3 4,-2.3 1,-0.2 -2,-0.2 0.879 112.9 49.0 -62.9 -38.9 -12.0 -12.3 24.1 109 144 A R H X S+ 0 0 128 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.2 0.791 105.7 59.1 -70.5 -28.1 -8.4 -11.6 24.9 110 145 A H H < S+ 0 0 121 -4,-1.2 4,-0.3 -5,-0.2 -1,-0.2 0.852 112.0 38.6 -69.1 -36.1 -9.4 -8.7 27.1 111 146 A Y H ><>S+ 0 0 56 -4,-1.5 5,-2.4 2,-0.2 3,-0.9 0.871 113.0 55.0 -80.8 -40.0 -11.5 -11.0 29.3 112 147 A S H ><5S+ 0 0 48 -4,-2.3 3,-1.4 1,-0.3 -2,-0.2 0.831 103.2 56.3 -63.5 -33.2 -9.1 -13.9 29.3 113 148 A R T 3<5S+ 0 0 153 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.699 106.8 50.6 -72.9 -18.5 -6.3 -11.7 30.6 114 149 A A T < 5S- 0 0 57 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.171 119.7-111.3-101.0 15.3 -8.5 -10.8 33.5 115 150 A K T < 5S+ 0 0 183 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.876 81.3 117.4 55.3 41.8 -9.2 -14.5 34.2 116 151 A Q < - 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0 0 34 -8,-0.5 -1,-0.1 1,-0.1 -162,-0.1 -0.382 45.3-100.9 -66.7 156.4 -30.2 -4.8 20.9 322 357 A P - 0 0 22 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.115 59.2 -68.5 -64.4 179.5 -29.2 -4.3 17.3 323 358 A A + 0 0 61 1,-0.2 -251,-0.0 -3,-0.1 3,-0.0 -0.636 61.0 161.0 -79.2 113.9 -31.7 -5.4 14.7 324 359 A L + 0 0 2 -2,-0.7 3,-0.2 -16,-0.1 -1,-0.2 0.580 68.5 56.8 -99.6 -15.7 -31.7 -9.2 14.8 325 360 A F + 0 0 38 1,-0.2 -1,-0.1 2,-0.0 -2,-0.1 0.331 69.1 104.9-102.0 5.3 -35.1 -9.7 13.1 326 361 A N + 0 0 75 -3,-0.0 -1,-0.2 17,-0.0 -254,-0.1 0.148 47.1 159.3 -83.4 17.6 -34.5 -8.0 9.7 327 362 A F - 0 0 20 -3,-0.2 2,-0.2 15,-0.1 -2,-0.0 -0.018 26.1-149.7 -46.1 139.0 -34.1 -11.1 7.6 328 363 A T > - 0 0 74 1,-0.0 4,-1.4 0, 0.0 5,-0.1 -0.492 32.0 -98.1-100.5 177.7 -34.7 -10.9 3.9 329 364 A T T 4 S+ 0 0 127 1,-0.2 4,-0.4 2,-0.2 -2,-0.1 0.862 123.7 54.9 -64.8 -36.8 -36.0 -13.6 1.5 330 365 A Q T >4 S+ 0 0 66 1,-0.2 3,-0.7 2,-0.2 4,-0.2 0.880 106.5 50.9 -64.2 -40.3 -32.4 -14.4 0.4 331 366 A E T 34 S+ 0 0 5 1,-0.2 3,-0.4 2,-0.1 -1,-0.2 0.846 116.4 40.6 -63.5 -36.9 -31.4 -15.1 4.1 332 367 A L T >< S+ 0 0 21 -4,-1.4 3,-1.1 1,-0.2 -1,-0.2 0.363 82.8 105.0 -95.4 2.7 -34.4 -17.4 4.6 333 368 A S T < S+ 0 0 60 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.1 0.745 76.0 58.2 -59.2 -25.1 -34.1 -19.1 1.2 334 369 A S T 3 S- 0 0 83 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.824 131.9 -1.3 -74.5 -32.9 -32.7 -22.2 2.9 335 370 A N X + 0 0 52 -3,-1.1 3,-1.8 -4,-0.1 -1,-0.2 -0.435 65.0 178.5-160.3 76.2 -35.7 -22.7 5.2 336 371 A P G > S+ 0 0 78 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.808 79.4 62.7 -53.3 -39.7 -38.5 -20.1 4.9 337 372 A P G > S+ 0 0 94 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.708 85.3 77.8 -63.6 -15.7 -40.8 -21.7 7.5 338 373 A L G X> S+ 0 0 28 -3,-1.8 4,-2.6 1,-0.3 3,-1.6 0.665 72.5 81.8 -63.0 -16.6 -38.1 -21.1 10.1 339 374 A A H <> S+ 0 0 20 -3,-1.9 4,-2.4 1,-0.3 -1,-0.3 0.742 74.0 74.3 -60.4 -23.9 -39.3 -17.5 10.2 340 375 A T H <4 S+ 0 0 106 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.844 113.3 24.2 -57.5 -34.5 -42.1 -18.6 12.5 341 376 A I H <4 S+ 0 0 83 -3,-1.6 -2,-0.2 -4,-0.2 -1,-0.2 0.864 120.5 56.6 -92.7 -49.8 -39.3 -18.8 15.2 342 377 A L H < S+ 0 0 0 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.791 106.2 52.4 -58.1 -35.1 -36.8 -16.4 13.8 343 378 A I S < S- 0 0 32 -4,-2.4 -1,-0.2 -5,-0.2 5,-0.1 -0.872 85.8-147.3-108.9 100.5 -39.2 -13.5 13.7 344 379 A P > - 0 0 7 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.178 25.0-108.9 -61.8 154.8 -40.9 -13.1 17.1 345 380 A P G >> S+ 0 0 110 0, 0.0 3,-1.2 0, 0.0 4,-0.7 0.819 117.6 59.8 -53.2 -37.0 -44.5 -11.8 17.4 346 381 A H G 34 S+ 0 0 79 1,-0.3 -36,-0.0 -37,-0.2 -3,-0.0 0.645 110.1 42.0 -71.3 -14.1 -43.4 -8.5 18.8 347 382 A A G <4 S+ 0 0 38 -3,-1.7 -1,-0.3 2,-0.1 -22,-0.0 0.331 95.0 85.2-110.8 3.6 -41.3 -7.8 15.6 348 383 A R T <4 0 0 126 -3,-1.2 -2,-0.1 -4,-0.3 -1,-0.1 0.986 360.0 360.0 -70.0 -61.9 -44.0 -9.1 13.2 349 384 A I < 0 0 221 -4,-0.7 -3,-0.1 0, 0.0 -2,-0.1 0.638 360.0 360.0-115.0 360.0 -46.1 -5.9 12.7 350 !* 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 0.0 351 422 B E > 0 0 162 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -54.4 -0.6 -39.8 0.6 352 423 B P H > + 0 0 44 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.947 360.0 39.6 -65.8 -47.8 -3.7 -41.3 2.4 353 424 B Q H > S+ 0 0 134 1,-0.2 4,-1.0 2,-0.2 -100,-0.0 0.855 115.9 54.6 -66.3 -35.0 -1.9 -44.4 3.9 354 425 B K H > S+ 0 0 129 1,-0.2 4,-0.9 2,-0.2 3,-0.4 0.932 110.6 43.7 -62.2 -48.5 1.1 -42.2 4.6 355 426 B F H X S+ 0 0 29 -4,-2.6 4,-1.2 1,-0.2 3,-0.5 0.874 109.0 56.4 -67.6 -40.0 -0.8 -39.6 6.6 356 427 B A H X S+ 0 0 3 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.763 102.6 58.4 -64.3 -24.7 -2.9 -42.2 8.6 357 428 B E H X S+ 0 0 118 -4,-1.0 4,-0.7 -3,-0.4 -1,-0.2 0.814 107.9 42.6 -77.3 -32.3 0.4 -43.8 9.8 358 429 B E H X S+ 0 0 72 -4,-0.9 4,-0.8 -3,-0.5 -1,-0.2 0.626 116.4 51.1 -87.0 -14.4 1.7 -40.7 11.5 359 430 B L H < S+ 0 0 6 -4,-1.2 4,-0.4 2,-0.2 3,-0.3 0.892 107.0 50.6 -82.3 -46.8 -1.7 -40.0 12.8 360 431 B I H >X S+ 0 0 31 -4,-2.4 4,-1.0 1,-0.2 3,-0.6 0.789 107.6 57.0 -62.0 -27.9 -2.2 -43.5 14.3 361 432 B H H 3X S+ 0 0 116 -4,-0.7 4,-0.9 1,-0.2 3,-0.4 0.903 102.1 52.7 -68.9 -42.6 1.2 -43.1 16.0 362 433 B R H 3< S+ 0 0 80 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.467 106.8 54.8 -76.6 -1.4 0.2 -39.9 17.8 363 434 B L H <> S+ 0 0 3 -3,-0.6 4,-0.6 -4,-0.4 -1,-0.2 0.676 101.1 55.7-100.1 -27.1 -2.9 -41.7 19.2 364 435 B E H < S+ 0 0 109 -4,-1.0 -2,-0.2 -3,-0.4 -3,-0.1 0.734 109.0 51.1 -70.3 -23.4 -0.8 -44.5 20.7 365 436 B A T < S+ 0 0 80 -4,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.669 105.5 54.4 -85.7 -19.8 1.0 -41.7 22.5 366 437 B V T 4 0 0 61 -5,-0.1 -2,-0.2 -4,-0.1 -1,-0.2 0.567 360.0 360.0 -91.2 -9.6 -2.2 -40.2 23.8 367 438 B Q < 0 0 152 -4,-0.6 -2,-0.2 -3,-0.1 -3,-0.2 0.486 360.0 360.0-136.0 360.0 -3.4 -43.4 25.4