==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 10-APR-12 4EL9 . COMPND 2 MOLECULE: RIBOSOMAL PROTEIN S6 KINASE ALPHA-3; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR D.UTEPBERGENOV,U.DEREWENDA,Z.S.DEREWENDA . 290 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15592.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 26 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 21.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 1 3 0 0 0 0 2 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 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 PARALLEL BRIDGES PER LADDER . 0 1 1 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 49 A E 0 0 100 0, 0.0 164,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 151.6 26.1 14.0 3.9 2 50 A I E -aB 57 164A 61 54,-0.7 56,-2.1 162,-0.2 2,-0.6 -0.540 360.0-160.4 -76.5 127.5 27.9 12.5 6.9 3 51 A A E -aB 58 163A 0 160,-3.4 160,-2.0 -2,-0.4 2,-0.5 -0.923 8.5-161.5-103.0 126.0 28.1 14.7 10.1 4 52 A I E -aB 59 162A 3 54,-3.0 56,-2.8 -2,-0.6 2,-0.7 -0.922 4.0-154.5-110.8 124.4 30.9 13.6 12.4 5 53 A T E -aB 60 161A 22 156,-1.9 156,-2.3 -2,-0.5 2,-0.7 -0.859 7.1-162.4-101.9 115.8 30.8 14.6 16.1 6 54 A H E -a 61 0A 6 54,-3.1 56,-2.8 -2,-0.7 2,-1.1 -0.855 7.2-155.7 -99.0 115.8 34.2 14.7 17.8 7 55 A H E -a 62 0A 21 -2,-0.7 2,-0.2 152,-0.4 56,-0.2 -0.783 24.7-146.2 -88.6 98.2 34.1 14.8 21.6 8 56 A V E -a 63 0A 23 54,-2.1 56,-1.0 -2,-1.1 2,-0.1 -0.452 6.7-123.9 -78.7 137.4 37.4 16.4 22.3 9 57 A K > - 0 0 77 -2,-0.2 3,-1.7 54,-0.1 -1,-0.1 -0.344 31.5 -99.5 -74.5 157.8 39.5 15.4 25.3 10 58 A E T 3 S+ 0 0 170 1,-0.3 2,-0.1 -2,-0.1 -1,-0.1 0.855 117.3 28.5 -43.9 -61.6 40.6 18.0 27.9 11 59 A G T 3 S+ 0 0 66 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 -0.197 86.1 167.1-100.0 42.1 44.2 18.6 26.8 12 60 A H < - 0 0 50 -3,-1.7 2,-0.7 -2,-0.1 -4,-0.0 -0.321 30.0-142.0 -61.0 132.9 43.7 17.8 23.1 13 61 A E - 0 0 79 -2,-0.1 -1,-0.1 1,-0.0 -2,-0.1 -0.858 21.8-129.0 -98.9 109.1 46.5 18.8 20.7 14 62 A K - 0 0 134 -2,-0.7 2,-0.2 1,-0.1 71,-0.1 -0.136 30.0-158.5 -55.0 149.7 45.1 20.1 17.5 15 63 A A - 0 0 7 69,-0.1 -1,-0.1 3,-0.0 69,-0.1 -0.754 16.5-166.9-129.9 172.3 46.5 18.5 14.3 16 64 A D > - 0 0 62 -2,-0.2 3,-2.2 69,-0.1 4,-0.1 -0.948 46.4 -89.0-152.2 169.1 46.9 19.0 10.5 17 65 A P G > S+ 0 0 59 0, 0.0 3,-1.3 0, 0.0 70,-0.0 0.767 118.5 65.8 -53.6 -28.4 47.9 16.8 7.5 18 66 A S G 3 S+ 0 0 87 1,-0.3 -3,-0.0 3,-0.0 0, 0.0 0.634 88.0 66.8 -74.2 -14.1 51.6 17.6 8.1 19 67 A Q G < S+ 0 0 40 -3,-2.2 21,-3.0 21,-0.1 22,-0.4 0.355 94.0 74.7 -86.1 6.7 51.7 15.8 11.4 20 68 A F E < -C 39 0B 22 -3,-1.3 2,-0.5 19,-0.2 19,-0.2 -0.975 64.5-150.6-130.7 129.8 51.1 12.4 9.6 21 69 A E E -C 38 0B 97 17,-2.7 17,-2.1 -2,-0.4 2,-0.3 -0.842 25.9-124.7 -94.7 127.7 53.3 10.1 7.5 22 70 A L E +C 37 0B 102 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.540 36.0 166.1 -70.7 128.3 51.6 8.0 4.9 23 71 A L E - 0 0 59 13,-3.1 2,-0.3 1,-0.4 14,-0.2 0.785 56.3 -13.3-107.8 -47.3 52.3 4.3 5.3 24 72 A K E -C 36 0B 121 12,-1.6 12,-2.7 2,-0.0 2,-0.5 -0.988 48.5-129.4-156.4 157.7 49.9 2.3 3.2 25 73 A V E -C 35 0B 88 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.977 33.3-176.0-113.3 128.1 46.6 2.5 1.2 26 74 A L E -C 34 0B 44 8,-2.8 8,-2.7 -2,-0.5 2,-0.6 -0.926 28.2-141.7-125.9 146.8 44.1 -0.2 2.0 27 75 A G E -C 33 0B 73 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.952 22.2-175.4 -98.0 118.7 40.7 -1.3 0.8 28 76 A Q > - 0 0 26 4,-2.6 3,-3.6 -2,-0.6 4,-0.2 -0.400 28.7-128.0-115.8 56.1 38.7 -2.3 3.9 29 77 A G G > S+ 0 0 73 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 -0.126 97.5 17.5 45.5-107.3 35.4 -3.7 2.5 30 78 A S G 3 S+ 0 0 56 71,-0.3 -1,-0.3 1,-0.3 72,-0.1 0.662 127.3 57.3 -69.8 -16.0 32.7 -1.8 4.4 31 79 A F G < S- 0 0 42 -3,-3.6 -1,-0.3 1,-0.3 -2,-0.2 0.512 93.3-156.9 -91.9 -6.0 35.2 0.9 5.4 32 80 A G < + 0 0 32 -3,-1.4 -4,-2.6 -4,-0.2 2,-0.5 -0.284 56.7 4.9 64.0-148.6 36.2 1.7 1.9 33 81 A K E S+C 27 0B 117 -6,-0.2 2,-0.4 20,-0.1 20,-0.4 -0.580 71.5 179.9 -75.1 120.9 39.5 3.4 1.2 34 82 A V E -C 26 0B 4 -8,-2.7 -8,-2.8 -2,-0.5 2,-0.4 -0.984 16.4-149.0-124.7 128.9 41.6 3.6 4.4 35 83 A F E -CD 25 51B 36 16,-2.5 16,-2.3 -2,-0.4 2,-0.6 -0.821 10.1-142.1 -93.6 134.2 45.1 5.1 4.7 36 84 A L E +CD 24 50B 17 -12,-2.7 -13,-3.1 -2,-0.4 -12,-1.6 -0.859 32.9 173.7 -90.9 127.4 47.5 3.8 7.3 37 85 A V E -CD 22 49B 2 12,-2.8 12,-2.7 -2,-0.6 2,-0.4 -0.874 27.0-135.5-131.5 163.7 49.4 6.7 8.7 38 86 A K E -CD 21 48B 58 -17,-2.1 -17,-2.7 -2,-0.3 10,-0.2 -0.985 23.8-121.9-124.3 128.7 52.0 7.4 11.5 39 87 A K E -C 20 0B 2 8,-2.6 7,-3.0 -2,-0.4 -19,-0.2 -0.473 21.4-163.4 -67.0 135.2 51.8 10.4 13.9 40 88 A I + 0 0 96 -21,-3.0 2,-0.2 5,-0.2 -1,-0.1 0.889 61.7 11.4 -89.7 -44.4 55.0 12.4 13.6 41 89 A S S S+ 0 0 57 -22,-0.4 3,-0.3 4,-0.1 5,-0.1 -0.649 87.4 50.9-126.7-179.1 55.0 14.5 16.8 42 90 A G S > S- 0 0 45 -2,-0.2 3,-1.9 1,-0.2 -3,-0.0 -0.214 100.4 -41.1 88.0-176.4 53.3 15.0 20.1 43 91 A S T 3 S+ 0 0 104 1,-0.3 -1,-0.2 -2,-0.0 28,-0.0 0.878 140.5 45.0 -54.6 -41.1 52.4 12.7 23.0 44 92 A D T > S+ 0 0 29 -3,-0.3 3,-2.2 3,-0.1 -1,-0.3 0.055 81.5 157.3 -94.1 25.1 51.4 10.0 20.5 45 93 A A T < + 0 0 42 -3,-1.9 -5,-0.2 1,-0.3 -4,-0.1 -0.217 67.8 18.3 -53.1 139.4 54.4 10.4 18.3 46 94 A R T 3 S+ 0 0 198 -7,-3.0 -1,-0.3 1,-0.3 2,-0.2 0.317 90.3 139.9 80.6 -6.1 55.1 7.2 16.2 47 95 A Q < - 0 0 94 -3,-2.2 -8,-2.6 -9,-0.1 2,-0.3 -0.478 50.6-129.4 -69.6 136.7 51.6 5.8 16.8 48 96 A L E +D 38 0B 69 -10,-0.2 49,-0.4 -2,-0.2 2,-0.3 -0.696 34.1 172.7 -84.1 139.8 49.9 4.1 13.8 49 97 A Y E -D 37 0B 7 -12,-2.7 -12,-2.8 -2,-0.3 2,-0.3 -0.951 33.4-116.7-139.2 159.5 46.4 5.2 12.9 50 98 A A E -DE 36 95B 8 45,-2.9 45,-3.1 -2,-0.3 2,-0.4 -0.749 30.3-157.8 -87.6 146.4 43.8 4.8 10.2 51 99 A M E -DE 35 94B 24 -16,-2.3 -16,-2.5 -2,-0.3 2,-0.4 -0.996 7.3-168.1-127.6 128.7 42.9 7.9 8.3 52 100 A K E - E 0 93B 43 41,-2.2 41,-2.8 -2,-0.4 2,-0.6 -0.939 8.0-155.1-110.5 139.4 39.6 8.4 6.4 53 101 A V E - E 0 92B 20 -2,-0.4 2,-0.5 -20,-0.4 39,-0.2 -0.966 10.1-163.4-116.9 116.3 39.2 11.3 4.0 54 102 A L E - E 0 91B 30 37,-3.0 37,-2.9 -2,-0.6 3,-0.4 -0.889 9.1-158.5-106.6 124.8 35.6 12.3 3.5 55 103 A K S S+ 0 0 106 -2,-0.5 2,-0.4 1,-0.3 -1,-0.2 0.930 86.1 18.4 -68.3 -49.3 34.8 14.5 0.5 56 104 A K S S+ 0 0 162 34,-0.1 -54,-0.7 35,-0.1 2,-0.3 -0.751 90.1 123.8-129.1 85.1 31.5 16.0 1.6 57 105 A A E -a 2 0A 18 -3,-0.4 2,-0.3 -2,-0.4 -54,-0.2 -0.973 47.6-132.6-139.1 152.6 31.1 15.7 5.4 58 106 A T E -a 3 0A 41 -56,-2.1 -54,-3.0 -2,-0.3 2,-0.5 -0.816 15.3-144.3-106.6 149.9 30.6 18.2 8.2 59 107 A L E -a 4 0A 28 -2,-0.3 2,-0.4 -56,-0.2 -54,-0.2 -0.953 11.9-172.8-116.1 129.0 32.5 18.3 11.5 60 108 A K E -a 5 0A 23 -56,-2.8 -54,-3.1 -2,-0.5 2,-0.5 -0.978 9.7-158.0-117.5 131.6 31.0 19.1 14.9 61 109 A V E -a 6 0A 70 -2,-0.4 2,-0.4 -56,-0.2 -54,-0.2 -0.953 13.6-179.9-115.1 128.7 33.3 19.5 17.9 62 110 A R E -a 7 0A 90 -56,-2.8 -54,-2.1 -2,-0.5 2,-0.2 -0.941 25.2-119.3-129.5 144.9 32.0 19.1 21.4 63 111 A D E -a 8 0A 145 -2,-0.4 2,-0.1 -56,-0.2 -54,-0.1 -0.550 26.5-124.8 -77.6 145.8 33.5 19.4 24.9 64 112 A R - 0 0 28 -56,-1.0 2,-0.3 -2,-0.2 73,-0.2 -0.490 33.9-101.2 -77.6 157.7 33.5 16.4 27.2 65 113 A V 0 0 79 71,-2.5 -1,-0.1 -2,-0.1 72,-0.0 -0.650 360.0 360.0 -79.8 141.4 31.9 16.9 30.6 66 114 A R 0 0 271 -2,-0.3 70,-0.1 -56,-0.0 -1,-0.1 -0.464 360.0 360.0 -78.3 360.0 34.6 17.4 33.4 67 ! 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 68 120 A D 0 0 199 0, 0.0 2,-1.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.2 44.3 13.6 38.0 69 121 A I - 0 0 175 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.736 360.0-177.4 -88.5 93.4 46.3 14.3 34.8 70 122 A L - 0 0 151 -2,-1.2 2,-0.5 0, 0.0 0, 0.0 -0.774 25.7-146.8-101.7 134.8 45.7 11.0 32.9 71 123 A V - 0 0 130 -2,-0.4 2,-0.1 1,-0.0 -2,-0.0 -0.839 35.9-114.6 -88.3 132.0 47.0 9.9 29.6 72 124 A E - 0 0 50 -2,-0.5 2,-0.3 1,-0.0 -1,-0.0 -0.365 31.6-168.2 -69.4 144.9 44.4 7.8 27.8 73 125 A V - 0 0 108 -2,-0.1 2,-0.1 1,-0.0 -1,-0.0 -0.814 33.0 -78.2-122.6 171.3 44.9 4.1 27.1 74 126 A N - 0 0 116 -2,-0.3 5,-0.1 2,-0.0 -1,-0.0 -0.422 32.9-150.9 -75.3 140.2 43.0 1.6 24.9 75 127 A H > - 0 0 12 3,-0.3 3,-1.4 -2,-0.1 53,-0.0 -0.907 20.3-128.1-107.3 137.9 39.7 0.0 25.9 76 128 A P T 3 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 78,-0.1 0.721 104.4 37.5 -58.2 -25.2 38.9 -3.4 24.4 77 129 A F T 3 S+ 0 0 0 47,-0.1 80,-2.7 79,-0.1 2,-0.4 0.046 102.8 78.2-122.4 26.2 35.5 -2.4 23.1 78 130 A I E < -g 157 0C 4 -3,-1.4 2,-0.4 78,-0.3 -3,-0.3 -0.993 52.7-158.8-133.4 138.6 36.0 1.2 21.8 79 131 A V E -g 158 0C 10 78,-2.0 80,-2.0 -2,-0.4 2,-0.3 -0.980 25.6-145.2-110.8 136.5 37.5 2.7 18.7 80 132 A K - 0 0 6 -2,-0.4 16,-2.0 78,-0.2 2,-0.7 -0.763 15.7-139.2-107.7 144.5 38.5 6.3 19.1 81 133 A L E +F 95 0B 4 -2,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.897 26.1 176.7 -90.5 111.5 38.5 9.4 16.9 82 134 A H E + 0 0 25 12,-2.7 2,-0.3 -2,-0.7 13,-0.2 0.862 62.6 9.7 -88.2 -40.3 41.9 11.0 17.8 83 135 A Y E -F 94 0B 12 11,-1.4 11,-3.0 -69,-0.1 2,-0.3 -0.997 54.5-179.2-141.6 146.6 41.9 13.9 15.3 84 136 A A E +F 93 0B 6 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.932 18.5 156.6-145.7 120.9 39.4 15.5 12.9 85 137 A F E -F 92 0B 7 7,-1.7 7,-2.8 -2,-0.3 2,-0.3 -0.992 28.5-133.1-147.8 151.9 40.3 18.5 10.8 86 138 A Q E +F 91 0B 112 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.792 23.9 164.8-109.4 145.1 39.1 20.1 7.5 87 139 A T - 0 0 49 3,-2.2 2,-2.7 -2,-0.3 3,-0.4 -0.422 64.8 -14.9-127.2-148.6 41.1 21.3 4.5 88 140 A E S S- 0 0 192 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 -0.284 129.5 -43.3 -58.5 75.6 40.2 22.3 1.0 89 141 A G S S+ 0 0 55 -2,-2.7 2,-0.4 1,-0.2 -1,-0.3 0.662 116.7 110.2 74.1 18.8 36.7 20.7 1.1 90 142 A K - 0 0 75 -3,-0.4 -3,-2.2 -34,-0.1 2,-0.6 -0.974 56.4-146.4-129.8 141.0 37.9 17.5 2.8 91 143 A L E -EF 54 86B 1 -37,-2.9 -37,-3.0 -2,-0.4 2,-0.5 -0.916 16.2-158.7-104.3 117.0 37.3 16.1 6.3 92 144 A Y E -EF 53 85B 45 -7,-2.8 -7,-1.7 -2,-0.6 2,-0.5 -0.832 5.4-167.6 -93.7 127.4 40.2 14.1 7.6 93 145 A L E -EF 52 84B 7 -41,-2.8 -41,-2.2 -2,-0.5 2,-0.6 -0.973 6.8-161.0-114.6 125.7 39.5 11.5 10.4 94 146 A I E +EF 51 83B 0 -11,-3.0 -12,-2.7 -2,-0.5 -11,-1.4 -0.934 28.8 167.2-104.8 116.3 42.4 10.0 12.3 95 147 A L E -EF 50 81B 23 -45,-3.1 -45,-2.9 -2,-0.6 -14,-0.2 -0.809 44.6 -80.8-127.7 160.7 41.1 6.8 14.0 96 148 A D - 0 0 31 -16,-2.0 2,-0.3 -2,-0.3 -47,-0.1 -0.405 57.9-108.7 -53.2 135.3 42.2 3.7 15.8 97 149 A F - 0 0 70 -49,-0.4 2,-0.4 1,-0.1 -1,-0.1 -0.582 36.1-170.0 -70.7 129.8 43.2 1.2 13.1 98 150 A L > - 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0 0 182 1,-0.1 2,-0.1 -3,-0.1 0, 0.0 -0.696 360.0-125.4 -89.6 129.1 16.9 24.2 5.5 170 224 A K - 0 0 180 -2,-0.4 2,-0.2 1,-0.1 -1,-0.1 -0.441 24.9-122.9 -73.0 143.9 18.3 25.6 8.8 171 225 A A - 0 0 95 -2,-0.1 2,-0.4 -5,-0.1 -1,-0.1 -0.531 20.1-150.0 -87.7 154.7 21.2 23.7 10.4 172 226 A Y - 0 0 152 -2,-0.2 3,-0.2 1,-0.1 -1,-0.0 -0.955 18.6-139.8-125.7 143.5 21.2 22.3 13.9 173 227 A S S S+ 0 0 89 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.839 100.6 31.1 -68.9 -31.7 24.0 21.8 16.4 174 228 A F + 0 0 61 -3,-0.1 2,-0.6 2,-0.0 -1,-0.3 -0.934 63.6 169.3-132.0 111.5 22.4 18.5 17.4 175 229 A C + 0 0 47 -2,-0.4 2,-0.3 -3,-0.2 -11,-0.1 -0.941 20.4 179.0-117.5 106.3 20.4 16.4 15.0 176 230 A G - 0 0 6 -2,-0.6 2,-0.8 -13,-0.1 5,-0.1 -0.753 39.5-101.5-111.8 156.3 19.7 13.0 16.5 177 231 A T > - 0 0 47 -2,-0.3 3,-1.8 -36,-0.3 4,-0.3 -0.642 34.8-151.0 -73.7 109.2 17.9 9.9 15.5 178 232 A V G > S+ 0 0 4 -2,-0.8 3,-2.0 1,-0.3 -1,-0.2 0.813 85.5 69.1 -55.9 -38.2 14.7 10.3 17.4 179 233 A E G 3 S+ 0 0 35 1,-0.3 -1,-0.3 -3,-0.1 35,-0.3 0.722 105.0 42.7 -56.7 -22.5 13.9 6.6 17.8 180 234 A Y G < S+ 0 0 13 -3,-1.8 2,-0.3 -39,-0.1 -1,-0.3 0.393 91.5 107.0-106.3 1.5 16.9 6.2 20.2 181 235 A M < - 0 0 5 -3,-2.0 -40,-0.1 -4,-0.3 15,-0.1 -0.634 66.0-125.8 -89.2 139.1 16.4 9.3 22.3 182 236 A A >> - 0 0 0 -42,-0.4 4,-2.2 -2,-0.3 3,-0.7 -0.304 30.4-105.3 -70.7 162.8 15.2 9.3 25.9 183 237 A P H 3> S+ 0 0 6 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.891 121.0 52.3 -55.2 -45.6 12.2 11.4 26.9 184 238 A E H 34>S+ 0 0 6 67,-0.3 5,-1.0 1,-0.2 6,-0.7 0.696 110.3 49.2 -69.1 -18.5 14.4 14.0 28.7 185 239 A V H X45S+ 0 0 10 -3,-0.7 3,-0.7 2,-0.2 -1,-0.2 0.876 109.8 49.6 -83.9 -41.7 16.5 14.4 25.6 186 240 A V H 3<5S+ 0 0 19 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.1 0.810 108.5 56.5 -62.0 -31.1 13.5 14.8 23.3 187 241 A N T 3<5S- 0 0 74 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.721 94.7-143.4 -73.4 -23.8 12.3 17.5 25.8 188 242 A R T < 5 + 0 0 213 -3,-0.7 -3,-0.2 -4,-0.4 3,-0.1 0.823 64.9 125.1 59.6 31.0 15.5 19.5 25.5 189 243 A R S - 0 0 79 -2,-0.3 3,-1.8 -52,-0.0 4,-0.3 -0.610 53.4 -69.7-131.2-165.0 22.7 13.3 31.9 193 247 A Q T >> S+ 0 0 70 1,-0.3 3,-1.4 -2,-0.2 4,-0.6 0.718 119.3 78.6 -66.5 -18.4 24.5 10.1 31.0 194 248 A S H >> S+ 0 0 8 1,-0.3 4,-1.1 2,-0.2 3,-0.6 0.760 80.1 69.6 -61.0 -21.2 21.4 8.3 32.2 195 249 A A H <> S+ 0 0 0 -3,-1.8 4,-1.6 1,-0.2 -1,-0.3 0.862 92.8 57.8 -60.1 -34.3 19.8 9.2 28.9 196 250 A D H <> S+ 0 0 0 -3,-1.4 4,-2.2 -4,-0.3 -1,-0.2 0.746 96.6 60.3 -72.4 -24.5 22.2 6.8 27.2 197 251 A W H S- 0 0 73 1,-0.1 4,-2.5 0, 0.0 3,-0.4 -0.917 88.6 -94.2-143.4 170.0 6.9 11.0 11.5 219 273 A R H > S+ 0 0 119 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.897 121.9 56.0 -52.7 -44.9 9.4 12.6 13.9 220 274 A K H > S+ 0 0 166 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.899 111.2 42.4 -54.3 -46.1 6.5 14.5 15.6 221 275 A E H > S+ 0 0 77 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.899 111.0 54.1 -71.7 -42.2 4.6 11.3 16.4 222 276 A T H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.900 107.3 53.0 -57.8 -41.2 7.6 9.3 17.5 223 277 A M H X S+ 0 0 46 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.893 107.7 50.3 -61.2 -40.9 8.4 12.0 20.0 224 278 A T H X>S+ 0 0 86 -4,-1.4 4,-2.2 1,-0.2 5,-0.5 0.893 110.8 49.9 -64.8 -39.0 4.9 11.9 21.4 225 279 A M H X5S+ 0 0 48 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.885 107.8 52.2 -67.1 -41.3 5.2 8.1 21.7 226 280 A I H <5S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.879 116.5 42.2 -60.5 -37.1 8.5 8.3 23.5 227 281 A L H <5S+ 0 0 46 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.817 139.2 1.7 -79.1 -33.0 6.9 10.8 25.9 228 282 A K H <5S+ 0 0 158 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.612 88.6 122.0-133.1 -21.8 3.6 9.0 26.5 229 283 A A << - 0 0 24 -4,-1.6 2,-0.8 -5,-0.5 -4,-0.0 -0.197 57.9-129.3 -57.6 137.0 3.2 5.7 24.6 230 284 A K - 0 0 197 1,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.792 28.2-131.5 -83.7 109.6 2.5 2.6 26.6 231 285 A L - 0 0 50 -2,-0.8 2,-1.0 18,-0.1 -17,-0.1 -0.480 8.4-142.2 -66.1 121.3 5.1 0.1 25.4 232 286 A G - 0 0 62 -2,-0.3 -1,-0.1 -19,-0.2 3,-0.0 -0.763 21.1-143.4 -83.1 102.4 3.6 -3.3 24.5 233 287 A M - 0 0 30 -2,-1.0 2,-0.1 1,-0.1 9,-0.0 -0.543 18.9-113.4 -75.1 121.2 6.2 -5.7 25.7 234 288 A P > - 0 0 27 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.328 20.3-147.9 -56.2 120.3 6.7 -8.7 23.5 235 289 A Q T 3 S+ 0 0 154 1,-0.3 7,-0.1 -2,-0.1 -2,-0.1 0.640 90.2 72.7 -68.9 -14.6 5.5 -11.7 25.5 236 290 A F T 3 S+ 0 0 148 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.713 79.7 98.2 -73.1 -16.4 8.0 -14.1 23.8 237 291 A L S < S- 0 0 5 -3,-1.6 -28,-0.0 1,-0.1 -4,-0.0 -0.411 84.5-104.8 -73.0 145.3 10.7 -12.3 25.8 238 292 A S > - 0 0 26 1,-0.1 4,-2.8 -2,-0.1 5,-0.2 -0.171 28.8-110.2 -63.7 160.0 12.0 -13.9 29.0 239 293 A P H > S+ 0 0 96 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.902 121.1 51.7 -57.7 -39.1 11.0 -12.5 32.4 240 294 A E H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 32,-0.3 0.909 110.5 46.2 -66.5 -42.9 14.5 -11.3 32.9 241 295 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.924 113.7 49.5 -63.8 -44.0 14.7 -9.6 29.5 242 296 A Q H X S+ 0 0 29 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.896 110.6 50.5 -61.3 -41.4 11.3 -8.0 30.1 243 297 A S H X S+ 0 0 20 -4,-2.4 4,-2.1 -5,-0.2 5,-0.2 0.942 110.3 48.4 -62.2 -50.4 12.4 -6.8 33.6 244 298 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.933 112.7 48.6 -58.1 -45.7 15.6 -5.2 32.3 245 299 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.916 110.3 50.5 -61.9 -44.0 13.7 -3.4 29.5 246 300 A R H < S+ 0 0 129 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.869 111.8 48.6 -61.0 -36.0 11.0 -2.1 31.9 247 301 A M H >< S+ 0 0 69 -4,-2.1 10,-2.2 1,-0.2 3,-0.6 0.819 113.6 46.0 -77.4 -30.0 13.8 -0.8 34.2 248 302 A L H 3< S+ 0 0 0 -4,-2.0 -2,-0.2 8,-0.2 -1,-0.2 0.747 107.6 58.9 -78.2 -25.2 15.6 0.9 31.3 249 303 A F T 3< + 0 0 20 -4,-1.9 2,-0.3 -5,-0.2 -1,-0.2 0.138 69.4 133.7 -96.8 19.8 12.5 2.4 29.9 250 304 A K < - 0 0 98 -3,-0.6 6,-0.1 1,-0.1 -3,-0.0 -0.558 50.1-148.4 -62.7 129.0 11.5 4.4 33.0 251 305 A R S S+ 0 0 80 -2,-0.3 -67,-0.3 1,-0.1 -1,-0.1 0.839 83.7 70.8 -74.0 -35.1 10.6 7.9 31.7 252 306 A N S >> S- 0 0 85 1,-0.2 3,-3.0 -69,-0.1 4,-0.5 -0.757 79.1-149.3 -83.8 107.6 11.8 9.7 34.9 253 307 A P G >4 S+ 0 0 37 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.752 92.3 67.9 -54.7 -25.0 15.5 9.3 34.6 254 308 A A G 34 S+ 0 0 79 1,-0.2 5,-0.0 -3,-0.1 -3,-0.0 0.762 105.5 42.2 -63.2 -24.5 15.9 9.3 38.4 255 309 A N G <4 S+ 0 0 109 -3,-3.0 -1,-0.2 2,-0.1 2,-0.2 0.467 91.5 112.6 -98.9 -5.0 14.1 5.9 38.4 256 310 A R S X< S- 0 0 4 -3,-1.0 3,-2.2 -4,-0.5 4,-0.3 -0.466 77.1-104.8 -79.4 138.4 15.9 4.4 35.5 257 311 A L T 3 S+ 0 0 29 -10,-2.2 -1,-0.1 1,-0.3 -2,-0.1 -0.382 109.9 29.3 -59.0 132.7 18.3 1.5 35.9 258 312 A G T 3 S+ 0 0 2 5,-0.2 -1,-0.3 -2,-0.1 6,-0.1 0.294 94.8 95.7 97.3 -8.0 21.9 2.8 35.6 259 313 A A < + 0 0 38 -3,-2.2 -2,-0.1 4,-0.1 -65,-0.1 0.601 63.1 93.4 -89.9 -13.8 21.0 6.2 36.9 260 314 A G S > S- 0 0 22 -4,-0.3 3,-2.0 3,-0.2 6,-0.1 -0.125 98.5 -88.8 -69.6 173.5 22.0 5.5 40.5 261 315 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.834 128.6 54.5 -53.5 -35.6 25.4 6.2 42.1 262 316 A D T > S+ 0 0 93 1,-0.2 3,-2.3 2,-0.1 4,-0.1 0.540 85.9 179.6 -80.1 -6.0 26.7 2.8 41.0 263 317 A G T X> + 0 0 9 -3,-2.0 3,-1.9 1,-0.3 4,-0.5 -0.150 67.5 17.0 52.0-121.4 25.7 3.5 37.4 264 318 A V H >> S+ 0 0 4 1,-0.3 4,-2.6 2,-0.2 3,-0.8 0.739 115.6 72.7 -58.9 -23.6 26.5 0.6 35.0 265 319 A E H <> S+ 0 0 61 -3,-2.3 4,-2.0 1,-0.3 -1,-0.3 0.851 89.0 61.3 -61.5 -31.3 26.8 -1.7 38.0 266 320 A E H <4 S+ 0 0 57 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.866 110.6 40.3 -60.5 -35.0 23.0 -1.6 38.4 267 321 A I H X< S+ 0 0 0 -3,-0.8 3,-1.4 -4,-0.5 6,-0.3 0.887 111.8 54.6 -79.0 -42.5 22.8 -3.1 34.9 268 322 A K H 3< S+ 0 0 36 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.797 108.4 51.4 -61.5 -29.5 25.7 -5.6 35.4 269 323 A R T 3< S+ 0 0 163 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.521 85.2 115.2 -85.1 -7.9 23.9 -6.9 38.5 270 324 A H S X S- 0 0 17 -3,-1.4 3,-1.7 -5,-0.1 4,-0.1 -0.331 77.1-119.9 -69.2 146.4 20.6 -7.5 36.7 271 325 A S G > S+ 0 0 58 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.811 109.4 69.4 -54.4 -32.7 19.4 -11.1 36.4 272 326 A F G 3 S+ 0 0 1 -32,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.869 106.9 39.1 -54.0 -35.9 19.5 -10.8 32.6 273 327 A F G X S+ 0 0 1 -3,-1.7 3,-2.1 -6,-0.3 -1,-0.3 0.228 78.8 119.1 -98.9 16.0 23.3 -10.7 32.8 274 328 A S T < S+ 0 0 97 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.756 72.9 54.0 -58.1 -26.0 23.7 -13.2 35.6 275 329 A T T 3 S+ 0 0 99 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.3 0.580 85.5 105.9 -84.4 -10.0 25.8 -15.6 33.4 276 330 A I < - 0 0 25 -3,-2.1 2,-0.9 -8,-0.1 3,-0.1 -0.585 57.2-155.1 -80.4 125.7 28.4 -13.0 32.4 277 331 A D > - 0 0 69 -2,-0.4 4,-2.4 1,-0.2 5,-0.1 -0.870 12.0-164.7 -91.5 103.6 31.8 -13.1 33.9 278 332 A W H > S+ 0 0 38 -2,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.779 83.9 51.9 -67.5 -29.1 32.7 -9.4 33.5 279 333 A N H > S+ 0 0 116 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.946 112.1 44.9 -71.1 -47.3 36.5 -9.9 34.1 280 334 A K H 4>S+ 0 0 97 1,-0.2 5,-2.6 2,-0.2 6,-0.3 0.897 113.3 53.5 -59.0 -40.6 36.7 -12.6 31.4 281 335 A L H ><5S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.2 5,-0.3 0.941 107.4 48.8 -59.9 -49.2 34.6 -10.4 29.1 282 336 A Y H 3<5S+ 0 0 112 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.851 107.6 55.3 -61.3 -34.5 36.9 -7.5 29.5 283 337 A R T 3<5S- 0 0 131 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.409 114.8-118.9 -78.6 2.3 40.0 -9.7 28.8 284 338 A R T < 5S+ 0 0 62 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.843 75.0 132.2 62.6 35.3 38.3 -10.7 25.5 285 339 A E < + 0 0 103 -5,-2.6 2,-0.5 -6,-0.1 -4,-0.2 0.257 46.4 83.9-101.6 8.2 38.2 -14.3 26.7 286 340 A I S S- 0 0 46 -6,-0.3 -2,-0.0 -5,-0.3 0, 0.0 -0.960 79.1-129.1-111.8 127.9 34.6 -14.9 25.8 287 341 A H - 0 0 172 -2,-0.5 -134,-0.1 1,-0.1 -2,-0.1 -0.581 22.1-114.7 -80.3 138.2 33.8 -15.8 22.1 288 342 A P - 0 0 20 0, 0.0 -134,-0.1 0, 0.0 -1,-0.1 -0.298 18.1-125.2 -65.5 150.2 31.2 -13.9 20.2 289 343 A P S S+ 0 0 50 0, 0.0 2,-0.4 0, 0.0 -172,-0.1 0.790 98.4 45.1 -66.9 -29.0 28.1 -15.8 19.0 290 344 A F S S- 0 0 57 -137,-0.2 -183,-0.0 -173,-0.1 -179,-0.0 -0.973 70.2-160.5-122.7 129.4 28.7 -14.8 15.4 291 345 A K 0 0 145 -2,-0.4 -138,-0.1 1,-0.1 -139,-0.1 -0.925 360.0 360.0-112.2 115.3 32.1 -14.9 13.7 292 346 A P 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -140,-0.1 0.315 360.0 360.0 -87.0 360.0 32.5 -12.7 10.6