==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-AUG-07 2Z7Q . COMPND 2 MOLECULE: RIBOSOMAL PROTEIN S6 KINASE ALPHA-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.IKUTA,S.K.MUNSHI . 255 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13098.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 14.1 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 21 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 2 0 0 1 0 2 0 0 0 0 0 0 1 0 0 1 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 0 1 1 0 2 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 0 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 56 A K 0 0 235 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.7 11.5 8.3 44.2 2 57 A A + 0 0 45 56,-0.1 3,-0.1 2,-0.0 55,-0.0 0.313 360.0 150.1 -33.9 145.2 10.4 5.3 42.0 3 58 A D > - 0 0 59 1,-0.1 3,-1.9 56,-0.1 4,-0.1 -0.897 52.8-115.6-176.2 147.1 9.5 1.8 43.2 4 59 A P G > S+ 0 0 31 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.728 112.5 67.6 -62.9 -20.9 7.2 -1.1 42.1 5 60 A S G 3 S+ 0 0 84 1,-0.3 -3,-0.0 3,-0.1 22,-0.0 0.619 84.7 74.1 -73.0 -11.9 5.3 -0.7 45.4 6 61 A H G < S+ 0 0 33 -3,-1.9 21,-3.2 1,-0.1 22,-0.7 0.492 95.6 56.9 -78.9 -3.0 4.2 2.6 43.9 7 62 A F E < S-A 26 0A 11 -3,-1.4 2,-0.4 19,-0.3 19,-0.2 -0.992 73.1-149.9-132.8 126.9 1.9 0.7 41.5 8 63 A E E -A 25 0A 86 17,-2.2 17,-1.6 -2,-0.4 2,-0.3 -0.794 27.1-117.7 -95.4 136.2 -0.8 -1.8 42.5 9 64 A L E +A 24 0A 102 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.558 34.0 172.9 -75.2 131.1 -1.5 -4.6 40.1 10 65 A L E - 0 0 60 13,-2.6 2,-0.3 1,-0.4 14,-0.2 0.823 62.8 -20.0-102.8 -48.0 -5.0 -4.6 38.6 11 66 A K E -A 23 0A 121 12,-1.3 12,-3.2 3,-0.0 2,-1.6 -0.974 58.6-109.2-163.1 149.2 -4.9 -7.3 35.9 12 67 A V E - 0 0 76 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.631 32.0-171.9 -85.5 85.2 -2.4 -9.3 33.8 13 68 A L E - 0 0 77 -2,-1.6 2,-0.3 1,-0.1 9,-0.2 0.823 52.8 -78.0 -45.2 -41.6 -3.2 -7.7 30.4 14 69 A G E -A 21 0A 28 7,-2.3 7,-3.2 -3,-0.1 2,-0.3 -0.995 37.3-108.5 168.3-165.1 -1.0 -10.2 28.8 15 70 A Q E -A 20 0A 139 -2,-0.3 5,-0.3 5,-0.3 2,-0.1 -0.975 22.2-173.8-159.0 146.1 2.5 -11.5 27.9 16 71 A G E > -A 19 0A 49 3,-2.8 3,-0.7 -2,-0.3 -2,-0.0 -0.364 51.7 -71.3-124.0-155.5 4.6 -11.7 24.7 17 72 A S T 3 S+ 0 0 128 1,-0.2 3,-0.1 -2,-0.1 -2,-0.0 0.290 129.7 43.9 -86.8 10.4 7.9 -13.1 23.5 18 73 A F T 3 S- 0 0 132 1,-0.4 2,-0.2 23,-0.0 -1,-0.2 0.008 122.9 -53.6-143.7 31.9 9.6 -10.4 25.5 19 74 A G E < -A 16 0A 21 -3,-0.7 -3,-2.8 22,-0.1 -1,-0.4 -0.766 62.5 -66.4 129.3-174.8 7.9 -10.2 28.9 20 75 A K E -AB 15 40A 78 20,-1.0 20,-2.2 -5,-0.3 2,-0.5 -0.921 34.7-146.7-121.0 145.1 4.6 -9.8 30.6 21 76 A V E -AB 14 39A 37 -7,-3.2 -7,-2.3 -2,-0.4 2,-0.3 -0.944 14.1-171.9-117.0 130.1 2.3 -6.7 30.6 22 77 A F E - B 0 38A 29 16,-3.6 16,-3.7 -2,-0.5 2,-0.7 -0.886 26.3-126.3-120.4 150.3 0.1 -5.7 33.6 23 78 A L E +AB 11 37A 19 -12,-3.2 -13,-2.6 -2,-0.3 -12,-1.3 -0.851 44.7 178.7 -91.3 116.3 -2.6 -3.0 33.9 24 79 A V E -AB 9 36A 0 12,-2.9 12,-2.6 -2,-0.7 2,-0.4 -0.761 28.4-144.6-121.3 168.2 -1.5 -1.0 36.9 25 80 A R E -AB 8 35A 93 -17,-1.6 -17,-2.2 -2,-0.3 10,-0.2 -0.984 23.9-128.3-132.7 118.5 -2.6 2.1 39.0 26 81 A K E -A 7 0A 10 8,-2.4 7,-4.2 -2,-0.4 -19,-0.3 -0.462 18.6-170.7 -67.8 133.9 -0.1 4.4 40.4 27 82 A V + 0 0 74 -21,-3.2 2,-0.3 5,-0.2 5,-0.1 0.503 59.6 80.7-103.7 -6.1 -0.7 5.0 44.2 28 83 A T S S- 0 0 55 -22,-0.7 3,-0.4 3,-0.1 5,-0.0 -0.770 80.2 -73.6-105.5 147.9 1.8 7.8 44.7 29 84 A R S S+ 0 0 211 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.1 -0.279 98.3 34.2 -68.3 162.5 1.4 11.5 43.9 30 85 A P S S+ 0 0 128 0, 0.0 -1,-0.3 0, 0.0 0, 0.0 -0.995 135.3 23.8 -84.2 -11.1 1.3 13.6 41.8 31 86 A D S > S+ 0 0 11 -3,-0.4 3,-2.4 3,-0.1 -5,-0.2 0.022 83.6 158.1-100.9 28.1 -0.4 11.2 39.4 32 87 A S T 3 + 0 0 59 1,-0.3 -5,-0.2 -5,-0.1 3,-0.1 -0.227 66.4 25.7 -55.0 135.4 -1.9 8.9 42.0 33 88 A G T 3 S+ 0 0 44 -7,-4.2 -1,-0.3 1,-0.3 -6,-0.1 0.113 89.4 134.4 96.9 -21.8 -4.8 7.0 40.7 34 89 A H < - 0 0 107 -3,-2.4 -8,-2.4 -8,-0.2 -1,-0.3 -0.366 52.9-128.9 -65.8 137.3 -3.6 7.2 37.1 35 90 A L E +B 25 0A 57 -10,-0.2 36,-0.5 -3,-0.1 2,-0.3 -0.656 33.0 169.9 -88.2 142.0 -3.8 3.9 35.1 36 91 A Y E -B 24 0A 16 -12,-2.6 -12,-2.9 -2,-0.3 2,-0.6 -0.932 36.4-113.4-143.3 167.1 -0.7 2.7 33.2 37 92 A A E -BC 23 69A 13 32,-2.6 32,-2.8 -2,-0.3 2,-0.5 -0.919 31.5-156.4-104.7 121.1 0.5 -0.3 31.3 38 93 A M E -BC 22 68A 8 -16,-3.7 -16,-3.6 -2,-0.6 2,-0.4 -0.899 8.1-169.9-105.0 126.0 3.4 -2.0 33.2 39 94 A K E -BC 21 67A 32 28,-2.4 28,-2.1 -2,-0.5 2,-0.5 -0.916 6.7-155.6-111.9 135.6 5.8 -4.2 31.2 40 95 A V E BC 20 66A 31 -20,-2.2 -20,-1.0 -2,-0.4 26,-0.2 -0.952 360.0 360.0-118.2 127.3 8.4 -6.3 32.9 41 96 A L 0 0 83 24,-2.2 24,-2.3 -2,-0.5 -22,-0.1 -0.744 360.0 360.0-123.7 360.0 11.7 -7.5 31.4 42 ! 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 43 115 A I 0 0 134 0, 0.0 2,-0.4 0, 0.0 93,-0.2 0.000 360.0 360.0 360.0 80.8 17.4 -0.5 22.6 44 116 A L + 0 0 83 91,-1.2 3,-0.1 1,-0.1 90,-0.1 -0.561 360.0 171.6 -75.7 122.5 16.0 3.1 22.9 45 117 A A + 0 0 41 -2,-0.4 2,-0.8 1,-0.1 -1,-0.1 0.591 51.5 78.5-113.7 -10.9 12.7 3.1 24.8 46 118 A D + 0 0 109 8,-0.1 2,-0.4 89,-0.1 -1,-0.1 -0.790 54.7 159.3-106.0 95.7 11.8 6.8 25.5 47 119 A V - 0 0 3 -2,-0.8 2,-0.6 6,-0.4 8,-0.4 -0.879 29.5-147.7-115.1 144.5 10.3 8.4 22.3 48 120 A N + 0 0 122 -2,-0.4 5,-0.1 6,-0.1 6,-0.1 -0.912 43.8 121.1-116.1 107.7 8.1 11.5 22.1 49 121 A H > - 0 0 16 -2,-0.6 3,-1.4 3,-0.5 -2,-0.1 -0.977 66.6-115.0-162.4 147.6 5.6 11.5 19.3 50 122 A P T 3 S+ 0 0 24 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.755 117.6 36.1 -57.3 -26.4 1.8 11.7 18.9 51 123 A F T 3 S+ 0 0 0 79,-0.1 80,-3.2 47,-0.1 2,-0.4 0.171 100.9 83.9-117.2 18.7 1.6 8.1 17.5 52 124 A V B < S-e 131 0B 1 -3,-1.4 -3,-0.5 78,-0.3 80,-0.2 -0.975 87.7-104.2-121.4 133.7 4.3 6.4 19.6 53 125 A V - 0 0 8 78,-2.7 2,-0.4 -2,-0.4 -6,-0.4 -0.237 39.7-124.2 -54.8 142.9 3.5 5.0 23.0 54 126 A K - 0 0 78 -8,-0.1 16,-1.3 -4,-0.1 2,-0.6 -0.788 9.5-142.7 -98.4 136.7 4.9 7.2 25.8 55 127 A L E +D 69 0A 19 -2,-0.4 14,-0.2 -8,-0.4 3,-0.1 -0.850 22.5 172.9 -95.6 118.6 7.3 6.0 28.5 56 128 A H E + 0 0 64 12,-2.9 2,-0.3 -2,-0.6 -1,-0.2 0.874 63.1 14.7 -93.3 -45.9 6.5 7.7 31.8 57 129 A Y E -D 68 0A 63 11,-1.2 11,-2.3 2,-0.0 2,-0.3 -0.946 54.1-174.5-133.2 155.5 8.7 5.8 34.3 58 130 A A E +D 67 0A 65 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.911 20.1 149.8-150.2 115.7 11.7 3.5 34.1 59 131 A F E -D 66 0A 24 7,-1.3 7,-2.8 -2,-0.3 2,-0.6 -0.983 37.2-124.1-146.5 156.9 13.3 1.8 37.1 60 132 A Q E -D 65 0A 159 -2,-0.3 2,-0.7 5,-0.2 5,-0.2 -0.900 16.6-174.4-112.8 115.0 15.1 -1.5 37.9 61 133 A T E > -D 64 0A 38 3,-1.2 3,-2.6 -2,-0.6 -2,-0.0 -0.937 55.0 -81.1-105.3 115.1 13.9 -3.9 40.5 62 134 A E T 3 S+ 0 0 178 -2,-0.7 -1,-0.1 1,-0.3 3,-0.1 0.305 115.3 11.7 -21.2 119.4 16.5 -6.6 40.8 63 135 A G T 3 S+ 0 0 90 1,-0.1 2,-0.3 -3,-0.0 -1,-0.3 -0.061 128.8 53.8 96.4 -29.0 16.3 -9.3 38.2 64 136 A K E < - D 0 61A 94 -3,-2.6 -3,-1.2 -24,-0.0 2,-0.5 -0.933 68.3-138.6-138.5 159.1 13.9 -7.3 36.2 65 137 A L E - D 0 60A 66 -24,-2.3 -24,-2.2 -2,-0.3 2,-0.4 -0.971 21.4-145.0-118.3 128.1 13.4 -3.9 34.6 66 138 A Y E -CD 40 59A 26 -7,-2.8 -7,-1.3 -2,-0.5 2,-0.5 -0.745 10.8-168.2 -96.4 139.9 10.0 -2.1 34.9 67 139 A L E -CD 39 58A 26 -28,-2.1 -28,-2.4 -2,-0.4 2,-0.7 -0.973 5.5-160.1-128.9 115.6 8.6 0.1 32.1 68 140 A I E +CD 38 57A 0 -11,-2.3 -12,-2.9 -2,-0.5 -11,-1.2 -0.863 24.8 166.5 -99.4 113.6 5.6 2.2 32.8 69 141 A L E -CD 37 55A 23 -32,-2.8 -32,-2.6 -2,-0.7 -14,-0.2 -0.676 43.0 -68.1-120.7 173.5 3.8 3.2 29.6 70 142 A D - 0 0 35 -16,-1.3 2,-0.8 -2,-0.2 -1,-0.2 -0.249 45.7-126.8 -57.7 147.5 0.5 4.8 28.5 71 143 A F - 0 0 45 -36,-0.5 2,-0.7 -35,-0.1 -1,-0.1 -0.893 23.3-155.8 -99.0 108.9 -2.4 2.5 29.0 72 144 A L > - 0 0 19 -2,-0.8 3,-0.6 1,-0.1 52,-0.2 -0.794 10.8-172.8 -89.6 114.5 -4.1 2.3 25.6 73 145 A R T 3 + 0 0 131 -2,-0.7 51,-0.2 1,-0.2 -1,-0.1 0.670 68.5 77.8 -80.4 -17.7 -7.8 1.5 26.1 74 146 A G T 3 S- 0 0 14 49,-1.9 -1,-0.2 1,-0.2 50,-0.2 0.432 90.0-135.1 -74.9 1.3 -8.8 1.0 22.5 75 147 A G < - 0 0 33 -3,-0.6 48,-2.7 48,-0.3 2,-0.2 -0.229 35.4 -54.3 75.5-169.5 -7.3 -2.5 22.1 76 148 A D B > -F 122 0B 35 46,-0.2 4,-1.8 1,-0.1 46,-0.2 -0.708 36.2-118.6-111.2 160.5 -5.2 -3.6 19.1 77 149 A L H > S+ 0 0 2 44,-2.5 4,-2.6 41,-1.0 42,-0.2 0.831 112.0 57.1 -63.3 -34.2 -5.7 -3.5 15.3 78 150 A F H > S+ 0 0 84 40,-0.9 4,-2.5 43,-0.3 -1,-0.2 0.933 106.2 50.0 -63.5 -44.8 -5.4 -7.3 15.0 79 151 A T H > S+ 0 0 63 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.923 114.3 44.1 -59.0 -44.6 -8.2 -7.8 17.5 80 152 A R H X S+ 0 0 23 -4,-1.8 4,-2.6 1,-0.2 5,-0.3 0.861 112.2 52.5 -69.2 -35.7 -10.4 -5.3 15.5 81 153 A L H X S+ 0 0 9 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.895 105.3 56.6 -64.0 -39.7 -9.4 -6.9 12.2 82 154 A S H < S+ 0 0 88 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.890 113.2 40.0 -59.9 -41.7 -10.4 -10.3 13.6 83 155 A K H < S+ 0 0 163 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.893 124.2 35.8 -74.3 -42.3 -13.9 -9.0 14.3 84 156 A E H < S- 0 0 99 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.639 88.7-146.7 -87.4 -18.5 -14.4 -6.9 11.1 85 157 A V S < S+ 0 0 89 -4,-2.8 2,-0.2 -5,-0.3 -4,-0.1 0.436 75.4 8.5 65.7 -0.7 -12.5 -9.2 8.8 86 158 A M S S- 0 0 80 -6,-0.2 2,-0.2 -5,-0.1 87,-0.2 -0.627 74.0-125.6 162.3 141.6 -11.3 -6.3 6.7 87 159 A F - 0 0 9 85,-3.4 2,-0.1 -2,-0.2 88,-0.0 -0.661 29.8-107.2-103.1 158.3 -11.3 -2.5 6.9 88 160 A T > - 0 0 82 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.421 34.8-109.8 -76.8 159.8 -12.6 -0.0 4.4 89 161 A E H > S+ 0 0 50 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.864 119.5 59.5 -61.3 -33.1 -10.0 1.9 2.4 90 162 A E H > S+ 0 0 127 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.946 110.0 40.9 -58.2 -50.3 -11.1 5.1 4.3 91 163 A D H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.910 115.8 50.8 -65.2 -42.3 -10.2 3.4 7.6 92 164 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.912 106.7 53.8 -62.0 -44.6 -7.1 1.9 6.3 93 165 A K H X S+ 0 0 41 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.914 111.1 47.5 -56.4 -44.8 -5.9 5.2 4.8 94 166 A F H X S+ 0 0 7 -4,-1.8 4,-2.1 -5,-0.2 5,-0.2 0.961 114.2 43.4 -62.7 -54.6 -6.2 6.8 8.3 95 167 A Y H X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.919 117.4 47.0 -58.4 -44.9 -4.5 4.1 10.3 96 168 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.814 108.1 55.8 -69.2 -29.9 -1.7 3.8 7.7 97 169 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.3 -2,-0.2 0.967 111.5 43.0 -65.9 -49.9 -1.2 7.6 7.5 98 170 A E H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.865 112.7 53.1 -63.2 -37.2 -0.6 7.9 11.2 99 171 A L H X S+ 0 0 3 -4,-2.0 4,-3.0 -5,-0.2 -1,-0.2 0.887 104.1 57.8 -65.7 -36.0 1.6 4.8 11.2 100 172 A A H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.897 107.9 46.0 -59.6 -44.0 3.6 6.5 8.4 101 173 A L H X S+ 0 0 15 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.958 115.9 44.3 -65.5 -50.3 4.4 9.5 10.6 102 174 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.889 115.1 49.8 -61.7 -39.3 5.3 7.4 13.7 103 175 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.923 110.4 48.4 -65.0 -47.2 7.3 5.1 11.6 104 176 A D H X S+ 0 0 49 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.894 111.2 52.5 -61.4 -39.2 9.3 7.8 9.9 105 177 A H H X S+ 0 0 53 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.940 107.6 49.8 -63.2 -47.3 9.9 9.4 13.3 106 178 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 3,-0.6 0.929 109.8 53.5 -56.6 -43.4 11.3 6.2 14.7 107 179 A H H ><5S+ 0 0 31 -4,-2.3 3,-2.4 1,-0.3 -1,-0.2 0.892 101.8 56.7 -57.8 -42.6 13.5 5.9 11.6 108 180 A S H 3<5S+ 0 0 86 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.841 105.1 53.6 -58.9 -31.9 14.9 9.4 12.2 109 181 A L T <<5S- 0 0 64 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.296 124.8-107.9 -83.8 7.9 15.9 8.2 15.7 110 182 A G T < 5S+ 0 0 48 -3,-2.4 2,-0.5 1,-0.2 -3,-0.2 0.749 73.7 144.7 71.5 23.5 17.8 5.3 14.0 111 183 A I < - 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0 0 44 -2,-0.1 3,-1.4 -45,-0.0 4,-0.7 -0.279 67.6 -73.8-103.8-169.5 17.3 -1.7 7.3 158 241 A H H >> S+ 0 0 90 1,-0.3 4,-1.1 2,-0.2 3,-0.7 0.782 124.9 68.9 -55.7 -29.8 14.5 0.9 7.4 159 242 A S H 3> S+ 0 0 6 1,-0.3 4,-1.5 2,-0.2 3,-0.3 0.843 89.2 61.1 -59.7 -37.4 13.4 -0.5 4.0 160 243 A A H <> S+ 0 0 2 -3,-1.4 4,-2.3 1,-0.2 -1,-0.3 0.858 100.1 56.7 -58.8 -35.2 12.3 -3.8 5.6 161 244 A D H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 3,-0.7 0.981 111.5 46.3 -65.2 -54.3 7.7 -3.9 3.2 164 247 A S H 3X S+ 0 0 9 -4,-2.3 4,-2.4 1,-0.3 -2,-0.2 0.844 108.2 57.9 -55.1 -34.7 6.0 -4.9 6.5 165 248 A Y H 3X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.3 0.891 106.2 49.1 -63.0 -39.7 4.0 -1.7 6.2 166 249 A G H S- 0 0 84 1,-0.0 4,-2.4 0, 0.0 -2,-0.3 -0.882 91.1 -88.3-143.0 173.6 4.3 -23.8 6.9 184 267 A R H > S+ 0 0 133 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.865 123.3 54.3 -53.5 -39.4 7.0 -21.2 7.8 185 268 A K H > S+ 0 0 140 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 108.5 45.1 -64.5 -45.0 9.3 -22.6 5.1 186 269 A E H > S+ 0 0 74 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.925 113.1 53.1 -66.0 -40.9 6.8 -22.4 2.2 187 270 A T H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.912 108.0 49.5 -59.4 -44.3 5.8 -18.9 3.4 188 271 A M H X S+ 0 0 46 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.926 111.5 49.6 -61.8 -41.1 9.4 -17.7 3.4 189 272 A T H X S+ 0 0 64 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.887 109.7 51.2 -65.9 -37.0 9.8 -19.1 -0.2 190 273 A L H X>S+ 0 0 24 -4,-2.5 4,-1.3 1,-0.2 5,-0.8 0.870 107.7 52.6 -67.2 -37.2 6.6 -17.3 -1.3 191 274 A I H <5S+ 0 0 0 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.939 105.8 55.6 -62.9 -43.1 7.9 -14.0 0.1 192 275 A L H <5S+ 0 0 45 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.880 106.6 48.0 -57.2 -41.9 11.2 -14.5 -1.9 193 276 A K H <5S- 0 0 125 -4,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.793 93.1-150.0 -71.5 -24.0 9.4 -14.9 -5.2 194 277 A A T <5 + 0 0 23 -4,-1.3 2,-0.7 -3,-0.4 -3,-0.1 0.890 32.2 169.1 53.5 39.8 7.3 -11.7 -4.3 195 278 A K < + 0 0 94 -5,-0.8 2,-0.5 2,-0.0 -1,-0.2 -0.758 8.0 177.2 -83.6 108.5 4.6 -13.3 -6.4 196 279 A L - 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0 0 23 -3,-2.2 2,-1.0 -8,-0.1 3,-0.1 -0.826 54.3-160.1-101.5 122.2 -4.6 13.4 3.7 242 325 A D > - 0 0 62 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 -0.816 6.7-168.5 -97.6 98.2 -3.5 16.6 5.5 243 326 A W H > S+ 0 0 42 -2,-1.0 4,-2.5 1,-0.2 5,-0.2 0.792 80.8 60.1 -56.6 -33.7 -0.4 15.5 7.4 244 327 A N H > S+ 0 0 110 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.974 113.1 35.4 -60.9 -55.8 -0.2 18.7 9.4 245 328 A K H 4>S+ 0 0 80 2,-0.2 5,-3.5 1,-0.2 6,-0.5 0.829 114.1 58.6 -68.8 -31.4 -3.7 18.2 11.0 246 329 A L H ><5S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.2 -1,-0.2 0.944 106.0 49.5 -60.8 -46.0 -3.2 14.5 11.1 247 330 A Y H 3<5S+ 0 0 119 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.891 108.1 53.4 -58.5 -40.5 -0.1 15.1 13.3 248 331 A R T 3<5S- 0 0 167 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.381 116.4-118.3 -76.4 5.4 -2.2 17.4 15.5 249 332 A R T < 5S+ 0 0 71 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.878 75.5 135.0 57.0 37.6 -4.7 14.6 15.8 250 333 A E < + 0 0 109 -5,-3.5 2,-0.4 -6,-0.1 -4,-0.2 0.749 39.8 90.1 -86.8 -27.2 -7.2 16.9 14.2 251 334 A I S S- 0 0 37 -6,-0.5 0, 0.0 -9,-0.1 0, 0.0 -0.593 83.5-123.0 -75.5 126.2 -8.6 14.2 11.8 252 335 A K - 0 0 176 -2,-0.4 -1,-0.1 1,-0.1 -2,-0.1 -0.573 27.9-119.3 -73.4 116.9 -11.5 12.4 13.4 253 336 A P - 0 0 12 0, 0.0 -125,-0.1 0, 0.0 -1,-0.1 -0.275 10.3-133.5 -59.8 140.5 -10.9 8.6 13.5 254 337 A P S S+ 0 0 44 0, 0.0 2,-0.4 0, 0.0 -163,-0.1 0.777 92.5 46.6 -59.2 -37.9 -13.3 6.4 11.6 255 338 A F S S- 0 0 61 -128,-0.2 0, 0.0 -164,-0.1 0, 0.0 -0.942 71.9-165.6-117.1 134.2 -13.7 4.1 14.4 256 339 A K 0 0 157 -2,-0.4 -129,-0.2 -129,-0.0 -130,-0.1 -0.969 360.0 360.0-127.3 137.4 -14.3 5.1 18.0 257 340 A P 0 0 70 0, 0.0 -183,-0.1 0, 0.0 -184,-0.1 -0.546 360.0 360.0-132.6 360.0 -14.0 3.1 21.3