==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-AUG-07 2Z7S . COMPND 2 MOLECULE: RIBOSOMAL PROTEIN S6 KINASE ALPHA-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.IKUTA,S.K.MUNSHI . 256 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13034.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 66.0 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 . 37 14.5 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 . 1 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 . 1 0.4 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 . 23 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 25.4 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 1 1 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 . 0 1 1 0 1 3 0 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 0 225 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.4 11.2 7.7 43.4 2 57 A A + 0 0 27 57,-0.1 3,-0.1 3,-0.0 56,-0.0 0.073 360.0 163.6 -41.7 152.8 9.5 5.1 41.3 3 58 A D > - 0 0 59 1,-0.1 3,-2.7 57,-0.1 4,-0.2 -0.893 50.3-112.2-174.1 141.9 8.9 1.7 42.9 4 59 A P G > S+ 0 0 37 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.802 114.9 64.5 -52.5 -29.0 6.8 -1.4 42.3 5 60 A S G 3 S+ 0 0 86 1,-0.3 -3,-0.0 -3,-0.1 22,-0.0 0.690 88.0 70.7 -69.2 -16.5 4.8 -0.6 45.5 6 61 A H G < S+ 0 0 38 -3,-2.7 21,-3.6 1,-0.1 22,-0.8 0.520 95.4 60.4 -78.3 -3.3 3.6 2.6 43.8 7 62 A F E < -A 26 0A 9 -3,-1.5 2,-0.4 19,-0.3 19,-0.2 -0.979 69.7-150.9-130.3 125.4 1.4 0.6 41.4 8 63 A E E -A 25 0A 82 17,-2.2 17,-2.0 -2,-0.4 2,-0.3 -0.778 27.9-117.4 -94.0 136.1 -1.5 -1.7 42.3 9 64 A L E +A 24 0A 111 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.552 31.8 177.0 -72.9 127.1 -2.1 -4.6 39.8 10 65 A L E - 0 0 62 13,-3.1 2,-0.3 1,-0.4 14,-0.2 0.861 61.7 -40.6 -94.9 -48.1 -5.5 -4.4 38.2 11 66 A K E -A 23 0A 129 12,-1.2 12,-3.2 3,-0.0 2,-0.7 -0.952 57.5 -94.8-173.8 159.7 -5.4 -7.3 35.9 12 67 A V E -A 22 0A 68 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.795 26.8-161.9 -89.8 115.6 -3.0 -9.1 33.5 13 68 A L E - 0 0 76 8,-1.8 2,-0.2 -2,-0.7 -1,-0.2 0.877 63.2 -48.1 -64.0 -39.1 -3.6 -7.9 30.0 14 69 A G E -A 21 0A 22 7,-1.0 7,-1.6 -3,-0.1 -1,-0.3 -0.881 60.3 -80.4 171.6 156.3 -1.9 -10.9 28.4 15 70 A Q - 0 0 156 -2,-0.2 2,-0.4 5,-0.2 5,-0.2 -0.318 60.8-116.6 -65.0 155.7 1.1 -13.1 28.4 16 71 A G > - 0 0 42 3,-0.3 3,-0.5 1,-0.1 -1,-0.1 -0.767 35.9-165.3-121.8 156.9 4.0 -11.6 26.5 17 72 A S T 3 S+ 0 0 113 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.066 116.2 34.1-101.8 20.4 6.3 -11.9 23.7 18 73 A F T 3 S- 0 0 64 1,-0.7 2,-0.3 22,-0.1 -1,-0.2 -0.035 135.6 -73.2-160.8 24.0 8.2 -9.3 25.7 19 74 A G S < S- 0 0 32 -3,-0.5 -1,-0.7 20,-0.1 2,-0.4 -0.796 81.0 -39.5 107.4-155.5 7.4 -10.4 29.3 20 75 A K E - B 0 40A 82 20,-0.8 20,-1.5 -2,-0.3 2,-0.6 -0.937 50.3-148.7-114.9 138.8 4.0 -10.0 31.0 21 76 A V E -AB 14 39A 41 -7,-1.6 -8,-1.8 -2,-0.4 -7,-1.0 -0.910 17.3-172.8-109.7 116.3 1.9 -6.8 30.6 22 77 A F E -AB 12 38A 31 16,-3.2 16,-3.5 -2,-0.6 2,-0.7 -0.716 27.0-125.8-106.5 155.2 -0.3 -5.8 33.5 23 78 A L E -AB 11 37A 19 -12,-3.2 -13,-3.1 -2,-0.3 -12,-1.2 -0.894 42.6-179.5 -95.5 116.3 -2.9 -3.1 33.8 24 79 A V E -AB 9 36A 0 12,-3.2 12,-3.0 -2,-0.7 2,-0.5 -0.856 26.0-145.1-121.3 158.5 -1.8 -1.0 36.8 25 80 A R E -AB 8 35A 84 -17,-2.0 -17,-2.2 -2,-0.3 10,-0.2 -0.985 26.2-124.7-122.3 118.7 -3.1 2.0 38.6 26 81 A K E -A 7 0A 8 8,-2.7 7,-3.2 -2,-0.5 -19,-0.3 -0.374 22.5-172.3 -60.5 138.1 -0.5 4.4 40.1 27 82 A V + 0 0 71 -21,-3.6 2,-0.2 5,-0.2 -20,-0.2 0.586 58.5 79.2-107.9 -16.9 -1.1 4.9 43.8 28 83 A T S S- 0 0 49 -22,-0.8 3,-0.3 3,-0.1 5,-0.1 -0.638 83.4 -74.2 -95.3 152.2 1.4 7.7 44.5 29 84 A R S S+ 0 0 208 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 -0.329 100.3 34.4 -68.8 161.7 1.0 11.4 43.7 30 85 A P S S+ 0 0 120 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.986 132.0 27.9 -87.7 -16.2 0.9 13.3 41.4 31 86 A D S > S+ 0 0 13 -3,-0.3 3,-2.4 2,-0.1 -5,-0.3 -0.060 82.3 160.4 -95.0 32.4 -0.6 10.9 39.0 32 87 A S T 3 + 0 0 59 1,-0.3 -5,-0.2 -5,-0.1 3,-0.1 -0.313 68.3 20.7 -55.8 127.9 -2.4 8.9 41.7 33 88 A G T 3 S+ 0 0 41 -7,-3.2 -1,-0.3 1,-0.3 2,-0.1 0.155 89.9 136.0 98.0 -20.6 -5.3 7.0 40.1 34 89 A H < - 0 0 104 -3,-2.4 -8,-2.7 -9,-0.1 -1,-0.3 -0.405 52.3-129.1 -66.3 133.6 -3.8 7.1 36.6 35 90 A L E +B 25 0A 54 -10,-0.2 37,-0.4 -2,-0.1 2,-0.3 -0.611 32.9 172.2 -83.4 141.4 -3.9 3.8 34.7 36 91 A Y E -B 24 0A 15 -12,-3.0 -12,-3.2 -2,-0.3 2,-0.5 -0.957 34.4-117.7-143.7 162.4 -0.7 2.5 33.0 37 92 A A E -BC 23 70A 12 33,-2.8 33,-3.0 -2,-0.3 2,-0.5 -0.898 32.2-154.3-102.4 126.9 0.4 -0.6 31.3 38 93 A M E -BC 22 69A 8 -16,-3.5 -16,-3.2 -2,-0.5 2,-0.5 -0.912 9.1-167.7-110.7 131.5 3.2 -2.3 33.2 39 94 A K E -BC 21 68A 18 29,-2.7 29,-2.5 -2,-0.5 2,-0.5 -0.954 5.7-158.9-115.3 127.9 5.8 -4.5 31.5 40 95 A V E -BC 20 67A 30 -20,-1.5 -20,-0.8 -2,-0.5 2,-0.4 -0.934 9.5-173.6-113.8 125.7 8.1 -6.7 33.7 41 96 A L E C 0 66A 57 25,-2.2 25,-3.2 -2,-0.5 -22,-0.1 -0.904 360.0 360.0-117.9 145.9 11.4 -8.0 32.3 42 97 A K 0 0 224 -2,-0.4 -1,-0.1 23,-0.2 -23,-0.0 0.609 360.0 360.0-104.3 360.0 13.9 -10.4 33.8 43 ! 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 44 115 A I 0 0 156 0, 0.0 93,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 19.0 17.4 -0.8 22.8 45 116 A L + 0 0 65 91,-1.3 3,-0.1 1,-0.1 90,-0.1 -0.343 360.0 168.0 -64.2 138.8 15.9 2.7 23.2 46 117 A A + 0 0 34 1,-0.1 2,-1.0 90,-0.1 -1,-0.1 0.499 54.3 85.3-125.8 -15.9 12.5 2.9 25.0 47 118 A D + 0 0 105 8,-0.1 2,-0.4 89,-0.1 -1,-0.1 -0.765 52.3 147.8 -97.8 96.1 12.2 6.6 25.5 48 119 A V - 0 0 3 -2,-1.0 2,-0.6 6,-0.4 8,-0.3 -0.972 34.2-151.0-127.4 140.7 10.6 8.2 22.4 49 120 A N + 0 0 132 -2,-0.4 5,-0.1 6,-0.1 6,-0.1 -0.940 43.1 121.9-116.4 111.2 8.3 11.2 22.3 50 121 A H > - 0 0 20 -2,-0.6 3,-2.1 3,-0.5 -2,-0.1 -0.921 66.2-116.6-167.3 138.4 5.9 11.1 19.4 51 122 A P T 3 S+ 0 0 24 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.753 116.2 40.7 -50.9 -26.7 2.1 11.3 19.0 52 123 A F T 3 S+ 0 0 0 79,-0.1 80,-3.0 47,-0.1 2,-0.4 0.183 101.4 79.1-113.3 20.2 2.1 7.8 17.4 53 124 A V B < S-e 132 0B 2 -3,-2.1 -3,-0.5 78,-0.3 80,-0.2 -0.984 88.4-103.0-126.9 134.9 4.6 6.0 19.6 54 125 A V - 0 0 4 78,-2.7 -6,-0.4 -2,-0.4 2,-0.3 -0.332 38.0-128.1 -60.9 132.8 3.9 4.6 23.1 55 126 A K - 0 0 74 -8,-0.1 16,-1.5 -4,-0.1 2,-0.6 -0.611 7.8-139.2 -85.6 138.9 5.3 6.8 25.8 56 127 A L E +D 70 0A 22 -8,-0.3 14,-0.2 -2,-0.3 3,-0.1 -0.872 24.0 173.7 -97.1 122.3 7.5 5.5 28.6 57 128 A H E + 0 0 60 12,-3.5 2,-0.3 -2,-0.6 13,-0.2 0.862 62.5 10.6 -97.0 -44.2 6.5 7.0 32.0 58 129 A Y E -D 69 0A 58 11,-1.5 11,-3.3 2,-0.0 2,-0.3 -0.989 54.2-178.4-139.6 148.8 8.6 5.2 34.5 59 130 A A E +D 68 0A 61 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.937 15.2 157.7-148.9 118.2 11.5 2.7 34.4 60 131 A F E -D 67 0A 23 7,-1.5 7,-2.8 -2,-0.3 2,-0.4 -0.998 31.5-132.3-145.6 141.8 13.1 1.1 37.5 61 132 A Q E -D 66 0A 152 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.743 19.5-177.5 -95.7 140.1 15.1 -2.0 38.1 62 133 A T E > -D 65 0A 44 3,-3.6 3,-1.7 -2,-0.4 -2,-0.0 -0.778 62.8 -51.4-142.2 94.5 14.3 -4.4 41.0 63 134 A E T 3 S- 0 0 174 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.917 123.7 -24.5 39.5 79.2 16.5 -7.4 41.5 64 135 A G T 3 S+ 0 0 50 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.143 120.6 103.1 80.6 -21.9 16.7 -8.9 38.1 65 136 A K E < - D 0 62A 91 -3,-1.7 -3,-3.6 -25,-0.0 2,-0.6 -0.841 55.1-159.8-101.7 128.8 13.3 -7.4 37.1 66 137 A L E -CD 41 61A 55 -25,-3.2 -25,-2.2 -2,-0.5 2,-0.4 -0.921 13.7-155.0-105.1 114.2 13.2 -4.3 34.8 67 138 A Y E -CD 40 60A 32 -7,-2.8 -7,-1.5 -2,-0.6 2,-0.5 -0.781 9.2-170.4 -94.5 132.0 9.9 -2.5 35.2 68 139 A L E -CD 39 59A 25 -29,-2.5 -29,-2.7 -2,-0.4 2,-0.7 -0.987 5.6-162.4-122.3 121.3 8.5 -0.4 32.4 69 140 A I E +CD 38 58A 0 -11,-3.3 -12,-3.5 -2,-0.5 -11,-1.5 -0.916 25.5 164.4-106.1 110.5 5.5 1.8 33.0 70 141 A L E -CD 37 56A 21 -33,-3.0 -33,-2.8 -2,-0.7 -14,-0.2 -0.673 43.4 -66.7-121.4 176.0 3.9 2.9 29.7 71 142 A D - 0 0 34 -16,-1.5 2,-0.6 -2,-0.2 -35,-0.2 -0.265 43.7-133.0 -58.1 147.1 0.7 4.4 28.4 72 143 A F - 0 0 33 -37,-0.4 2,-0.9 -36,-0.1 -1,-0.1 -0.930 17.8-151.0-101.8 121.7 -2.3 2.1 28.7 73 144 A L > - 0 0 17 -2,-0.6 3,-1.6 1,-0.2 51,-0.2 -0.839 6.4-164.0-100.9 103.8 -4.0 2.1 25.3 74 145 A R T 3 S+ 0 0 125 -2,-0.9 51,-0.2 1,-0.3 -1,-0.2 0.820 79.5 65.8 -52.3 -42.1 -7.7 1.5 25.9 75 146 A G T 3 S- 0 0 22 49,-1.1 -1,-0.3 1,-0.2 50,-0.2 0.579 93.9-141.5 -62.8 -11.6 -8.6 0.7 22.3 76 147 A G E < -F 124 0B 31 -3,-1.6 48,-2.5 48,-0.6 2,-0.2 -0.386 38.2 -41.5 80.7-164.4 -6.5 -2.5 22.2 77 148 A D E > -F 123 0B 35 46,-0.2 4,-1.7 -2,-0.1 46,-0.2 -0.583 41.6-118.6-104.4 164.8 -4.6 -3.6 19.1 78 149 A L H > S+ 0 0 1 44,-2.5 4,-2.7 41,-1.1 42,-0.2 0.741 111.0 62.2 -69.4 -24.8 -5.2 -3.5 15.4 79 150 A F H > S+ 0 0 87 40,-1.0 4,-2.5 43,-0.3 -1,-0.2 0.933 104.3 47.2 -66.9 -44.4 -4.9 -7.3 15.2 80 151 A T H > S+ 0 0 61 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.940 114.7 45.9 -61.8 -46.6 -7.9 -7.8 17.5 81 152 A R H X S+ 0 0 21 -4,-1.7 4,-2.5 1,-0.2 5,-0.3 0.916 112.1 52.6 -63.7 -40.8 -9.9 -5.3 15.5 82 153 A L H X S+ 0 0 10 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.892 107.2 51.3 -61.2 -41.7 -8.9 -6.9 12.2 83 154 A S H < S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.931 113.4 44.5 -63.3 -44.1 -9.9 -10.3 13.4 84 155 A K H < S+ 0 0 170 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.881 127.7 28.7 -66.5 -39.5 -13.4 -9.1 14.4 85 156 A E H < S- 0 0 82 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.504 90.1-151.8-100.7 -9.5 -13.9 -7.0 11.2 86 157 A V S < S+ 0 0 88 -4,-2.5 2,-0.2 -5,-0.3 -3,-0.1 0.362 72.0 16.2 57.4 3.1 -11.7 -9.2 9.1 87 158 A M S S- 0 0 84 -6,-0.2 2,-0.2 -5,-0.1 87,-0.2 -0.709 70.8-136.3 164.1 139.3 -10.9 -6.3 6.8 88 159 A F - 0 0 8 85,-2.8 2,-0.1 -2,-0.2 88,-0.0 -0.703 29.3-103.2-108.3 158.7 -11.1 -2.4 6.8 89 160 A T > - 0 0 85 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.356 37.3-107.0 -75.8 161.8 -12.2 0.0 4.2 90 161 A E H > S+ 0 0 52 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.876 122.0 60.2 -58.3 -33.9 -9.5 1.9 2.3 91 162 A E H > S+ 0 0 117 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.952 108.3 41.4 -56.8 -53.0 -10.6 5.0 4.3 92 163 A D H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.906 117.3 49.5 -62.4 -41.0 -9.7 3.3 7.6 93 164 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.905 106.6 53.2 -66.0 -44.7 -6.6 1.8 6.1 94 165 A K H X S+ 0 0 46 -4,-3.6 4,-1.8 1,-0.2 -1,-0.2 0.913 111.6 49.0 -56.8 -42.6 -5.3 5.1 4.7 95 166 A F H X S+ 0 0 4 -4,-1.8 4,-2.1 -5,-0.3 5,-0.2 0.943 112.7 43.3 -63.7 -52.7 -5.7 6.7 8.1 96 167 A Y H X S+ 0 0 3 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.914 116.3 49.0 -61.5 -42.4 -3.9 4.0 10.2 97 168 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.801 108.2 53.5 -68.3 -31.7 -1.1 3.8 7.6 98 169 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.956 112.9 42.5 -69.2 -48.4 -0.6 7.5 7.5 99 170 A E H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.886 115.7 50.3 -64.4 -36.7 -0.2 7.8 11.3 100 171 A L H X S+ 0 0 1 -4,-2.3 4,-3.5 -5,-0.2 5,-0.3 0.907 104.8 58.3 -66.5 -38.5 1.9 4.7 11.1 101 172 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.934 109.7 43.8 -54.6 -48.4 4.0 6.3 8.4 102 173 A L H X S+ 0 0 17 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.964 115.3 47.3 -63.4 -51.4 4.8 9.2 10.7 103 174 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.932 114.2 47.7 -55.5 -48.6 5.5 7.0 13.7 104 175 A L H X S+ 0 0 0 -4,-3.5 4,-2.3 1,-0.2 -1,-0.2 0.928 109.3 51.3 -58.8 -51.8 7.7 4.7 11.7 105 176 A D H X S+ 0 0 55 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.896 109.4 52.2 -56.2 -40.7 9.7 7.5 10.0 106 177 A H H X S+ 0 0 50 -4,-2.2 4,-1.8 1,-0.2 3,-0.4 0.943 107.8 50.0 -62.0 -47.7 10.4 9.0 13.4 107 178 A L H <>S+ 0 0 0 -4,-2.2 5,-3.0 1,-0.3 -1,-0.2 0.892 109.4 53.8 -57.6 -36.8 11.7 5.7 14.8 108 179 A H H ><5S+ 0 0 26 -4,-2.3 3,-1.0 3,-0.2 -1,-0.3 0.843 104.2 54.4 -65.3 -34.6 13.9 5.5 11.7 109 180 A S H 3<5S+ 0 0 87 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.858 103.8 54.3 -68.3 -34.5 15.3 9.0 12.4 110 181 A L T 3<5S- 0 0 60 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.499 125.6-108.7 -75.2 -1.7 16.3 7.8 15.9 111 182 A G T < 5S+ 0 0 45 -3,-1.0 2,-0.4 1,-0.3 -3,-0.2 0.773 74.3 141.2 79.8 25.6 18.1 5.0 14.1 112 183 A I < - 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0 0 50 1,-0.0 3,-0.9 -45,-0.0 4,-0.6 -0.067 67.3 -73.1 -91.3-163.6 17.7 -1.8 7.4 159 241 A H H >> S+ 0 0 85 1,-0.2 4,-1.1 2,-0.2 3,-1.0 0.820 125.3 70.8 -62.4 -31.3 14.8 0.7 7.5 160 242 A S H 3> S+ 0 0 5 1,-0.3 4,-1.4 2,-0.2 3,-0.4 0.865 88.3 62.7 -53.3 -39.8 13.7 -0.6 4.1 161 243 A A H <> S+ 0 0 2 -3,-0.9 4,-2.0 1,-0.2 3,-0.3 0.876 99.8 54.9 -53.5 -40.8 12.7 -3.9 5.7 162 244 A D H S- 0 0 82 1,-0.1 4,-2.3 0, 0.0 -2,-0.2 -0.926 91.8 -84.0-154.4 174.0 4.4 -23.5 6.9 185 267 A R H > S+ 0 0 143 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.903 122.2 55.1 -52.0 -48.2 7.2 -21.1 7.7 186 268 A K H > S+ 0 0 152 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.943 111.1 42.6 -51.7 -56.3 9.5 -22.6 5.1 187 269 A E H > S+ 0 0 77 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.847 111.8 55.0 -62.2 -35.7 7.0 -22.1 2.2 188 270 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.943 107.9 49.1 -64.0 -45.1 6.0 -18.7 3.4 189 271 A M H X S+ 0 0 47 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.904 111.6 49.7 -60.8 -40.1 9.7 -17.6 3.3 190 272 A T H X S+ 0 0 59 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.891 110.1 50.2 -66.7 -38.5 10.0 -19.0 -0.2 191 273 A L H X>S+ 0 0 28 -4,-2.5 4,-1.9 2,-0.2 5,-0.7 0.904 109.3 52.0 -65.8 -39.0 6.8 -17.2 -1.3 192 274 A I H <5S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.946 108.9 51.5 -60.8 -44.9 8.2 -14.0 0.1 193 275 A L H <5S+ 0 0 46 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.874 110.4 46.1 -60.4 -40.8 11.5 -14.5 -1.8 194 276 A K H <5S- 0 0 122 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.860 91.5-157.2 -71.3 -29.0 9.7 -15.0 -5.1 195 277 A A T <5 + 0 0 22 -4,-1.9 2,-0.7 1,-0.2 -3,-0.1 0.851 27.4 165.6 54.1 36.6 7.6 -12.0 -4.2 196 278 A K < - 0 0 125 -5,-0.7 2,-0.5 2,-0.0 -1,-0.2 -0.759 13.2-177.8 -83.1 113.1 5.0 -13.3 -6.7 197 279 A L - 0 0 49 -2,-0.7 2,-0.5 -3,-0.1 -17,-0.1 -0.923 25.0-154.7-131.7 121.0 1.8 -11.3 -5.9 198 280 A G - 0 0 59 -2,-0.5 -2,-0.0 -19,-0.2 0, 0.0 -0.706 22.6-136.7 -85.9 128.3 -1.7 -11.3 -7.2 199 281 A M - 0 0 26 -2,-0.5 9,-0.0 2,-0.0 -1,-0.0 -0.741 17.4-125.7 -90.3 110.1 -3.5 -8.0 -6.8 200 282 A P > - 0 0 34 0, 0.0 3,-1.4 0, 0.0 8,-0.1 -0.268 17.8-133.7 -52.8 131.3 -7.2 -8.4 -5.5 201 283 A Q T 3 S+ 0 0 162 1,-0.3 7,-0.0 7,-0.0 -2,-0.0 0.630 97.6 66.7 -66.1 -17.2 -9.4 -6.6 -8.0 202 284 A F T 3 S+ 0 0 125 2,-0.0 -1,-0.3 -27,-0.0 2,-0.2 0.572 79.2 101.3 -82.1 -6.7 -11.5 -4.7 -5.4 203 285 A L S < S- 0 0 7 -3,-1.4 -28,-0.0 1,-0.1 -4,-0.0 -0.564 81.9-110.2 -77.6 141.2 -8.5 -2.6 -4.4 204 286 A S > - 0 0 32 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.221 25.7-114.4 -63.5 159.4 -8.3 0.9 -5.8 205 287 A T H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.844 118.3 55.7 -67.8 -29.5 -5.6 1.6 -8.4 206 288 A E H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 32,-0.3 0.921 109.4 45.6 -66.2 -42.1 -4.0 4.0 -5.9 207 289 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.923 113.3 49.8 -66.2 -43.2 -3.8 1.2 -3.3 208 290 A Q H X S+ 0 0 22 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.890 109.4 51.9 -62.0 -41.3 -2.5 -1.3 -5.9 209 291 A S H X S+ 0 0 53 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.946 110.7 47.9 -59.6 -50.3 0.1 1.2 -7.0 210 292 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.890 110.6 50.7 -59.7 -43.2 1.4 1.7 -3.5 211 293 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.890 109.5 51.0 -64.0 -39.5 1.5 -2.0 -2.7 212 294 A R H < S+ 0 0 125 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.878 110.8 49.3 -64.5 -37.9 3.5 -2.7 -5.8 213 295 A A H < S+ 0 0 19 -4,-1.9 10,-2.2 1,-0.2 3,-0.4 0.850 114.3 44.9 -70.2 -34.6 6.0 0.1 -4.9 214 296 A L H < S+ 0 0 0 -4,-2.0 2,-1.0 1,-0.2 -2,-0.2 0.819 104.2 65.2 -79.1 -31.1 6.3 -1.3 -1.4 215 297 A F < + 0 0 19 -4,-2.3 2,-0.6 -5,-0.2 -1,-0.2 -0.322 65.6 137.4 -91.2 53.4 6.7 -4.9 -2.5 216 298 A K - 0 0 86 -2,-1.0 6,-0.2 -3,-0.4 -21,-0.1 -0.879 48.5-147.3 -97.4 124.0 10.0 -4.6 -4.4 217 299 A R S S+ 0 0 165 -2,-0.6 -67,-0.3 -23,-0.1 -1,-0.2 0.924 86.6 69.7 -55.9 -47.4 12.3 -7.5 -3.6 218 300 A N S >> S- 0 0 76 1,-0.2 3,-2.3 -3,-0.1 4,-0.8 -0.645 78.9-148.0 -77.2 112.9 15.4 -5.3 -3.9 219 301 A P T 34 S+ 0 0 38 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.632 94.9 64.7 -56.0 -13.3 15.3 -3.0 -0.9 220 302 A A T 34 S+ 0 0 69 1,-0.2 4,-0.1 4,-0.0 -3,-0.0 0.695 106.7 39.6 -84.3 -20.2 17.0 -0.4 -3.1 221 303 A N T <4 S+ 0 0 112 -3,-2.3 2,-0.2 2,-0.1 -1,-0.2 0.459 91.5 112.3-105.1 -3.2 14.0 -0.0 -5.4 222 304 A R S >< S- 0 0 0 -4,-0.8 3,-1.9 -6,-0.2 -8,-0.2 -0.484 80.6-102.1 -73.2 136.2 11.5 -0.3 -2.6 223 305 A L T 3 S+ 0 0 22 -10,-2.2 -1,-0.1 1,-0.3 -7,-0.1 -0.228 111.6 41.7 -53.0 146.9 9.5 2.9 -2.0 224 306 A G T 3 S+ 0 0 1 5,-0.3 2,-0.3 2,-0.2 -1,-0.3 0.269 79.3 115.2 93.2 -12.1 10.8 4.6 1.1 225 307 A S < - 0 0 35 -3,-1.9 -2,-0.1 1,-0.2 5,-0.1 -0.020 66.4-167.2 -82.4 34.1 14.4 3.9 -0.0 226 308 A G S S+ 0 0 14 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.2 -0.163 80.0 176.4 74.9-169.0 15.1 7.6 -0.4 227 309 A P S S+ 0 0 136 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.934 125.5 23.2 -75.2 -14.9 16.5 9.8 -1.3 228 310 A D S >> S- 0 0 72 1,-0.2 3,-2.1 2,-0.1 4,-0.5 0.211 97.5-166.2 -85.0 13.1 13.4 11.6 0.2 229 311 A G H >> + 0 0 21 1,-0.3 3,-1.8 2,-0.2 4,-0.6 0.025 67.0 8.5 39.1-129.5 12.8 8.5 2.4 230 312 A A H >> S+ 0 0 4 1,-0.3 4,-2.7 2,-0.2 3,-0.6 0.735 124.3 66.3 -50.5 -28.7 9.4 8.4 4.1 231 313 A E H <> S+ 0 0 80 -3,-2.1 4,-3.1 1,-0.3 -1,-0.3 0.895 90.9 63.9 -61.9 -37.7 8.4 11.5 2.0 232 314 A E H << S+ 0 0 53 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.862 111.1 37.1 -52.0 -38.0 8.6 9.2 -1.0 233 315 A I H X< S+ 0 0 0 -4,-0.6 3,-1.4 -3,-0.6 6,-0.2 0.855 114.4 54.2 -84.3 -37.7 5.8 7.2 0.6 234 316 A K H 3< S+ 0 0 30 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.810 106.1 54.0 -67.1 -28.7 3.9 10.2 2.0 235 317 A R T 3< S+ 0 0 158 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.387 83.2 123.1 -86.0 4.0 3.8 11.8 -1.4 236 318 A H S X S- 0 0 21 -3,-1.4 3,-2.5 -5,-0.2 4,-0.1 -0.414 75.9-118.4 -69.7 142.2 2.2 8.7 -3.0 237 319 A V G > S+ 0 0 91 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.772 110.1 72.2 -48.9 -30.4 -1.1 9.2 -4.7 238 320 A F G 3 S+ 0 0 6 -32,-0.3 -1,-0.3 1,-0.3 3,-0.3 0.825 103.4 40.3 -57.7 -31.1 -2.6 6.8 -2.2 239 321 A Y G X S+ 0 0 2 -3,-2.5 3,-2.3 -6,-0.2 -1,-0.3 0.129 76.5 122.5-104.5 20.9 -2.3 9.6 0.5 240 322 A S T < S+ 0 0 90 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.882 76.2 49.0 -47.7 -46.4 -3.3 12.5 -1.7 241 323 A T T 3 S+ 0 0 98 -3,-0.3 2,-0.6 -4,-0.3 -1,-0.3 0.155 89.7 106.6 -83.3 19.2 -6.2 13.4 0.6 242 324 A I < - 0 0 22 -3,-2.3 2,-1.0 -8,-0.1 3,-0.1 -0.884 56.2-155.5-107.2 121.4 -4.1 13.3 3.7 243 325 A D > - 0 0 73 -2,-0.6 4,-2.0 1,-0.2 5,-0.2 -0.816 8.2-168.0 -91.3 104.5 -3.0 16.5 5.5 244 326 A W H > S+ 0 0 50 -2,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.777 80.6 61.5 -64.5 -28.4 0.1 15.4 7.4 245 327 A N H > S+ 0 0 111 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.967 112.3 34.6 -64.6 -53.1 0.2 18.5 9.5 246 328 A K H 4>S+ 0 0 85 2,-0.2 5,-3.6 1,-0.2 6,-0.6 0.813 112.8 60.5 -73.4 -28.6 -3.2 17.9 11.1 247 329 A L H ><5S+ 0 0 0 -4,-2.0 3,-1.8 3,-0.2 -1,-0.2 0.959 106.8 47.6 -59.9 -49.0 -2.7 14.1 11.2 248 330 A Y H 3<5S+ 0 0 118 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.900 110.1 52.1 -56.5 -43.2 0.4 14.7 13.3 249 331 A R T 3<5S- 0 0 158 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.417 115.4-118.0 -74.6 1.5 -1.6 17.1 15.6 250 332 A R T < 5S+ 0 0 61 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.1 0.847 76.7 131.9 63.0 32.4 -4.2 14.4 15.9 251 333 A E < + 0 0 116 -5,-3.6 2,-0.4 -6,-0.1 -4,-0.2 0.639 41.5 91.8 -89.5 -16.4 -6.7 16.7 14.3 252 334 A I S S- 0 0 33 -6,-0.6 0, 0.0 -5,-0.1 0, 0.0 -0.673 84.5-118.7 -82.6 128.8 -8.0 14.1 11.8 253 335 A K - 0 0 163 -2,-0.4 -2,-0.1 1,-0.1 -1,-0.1 -0.508 26.6-122.0 -70.7 121.5 -11.0 12.2 13.1 254 336 A P - 0 0 7 0, 0.0 -125,-0.1 0, 0.0 -1,-0.1 -0.396 11.7-137.2 -62.9 137.0 -10.3 8.5 13.5 255 337 A P S S+ 0 0 41 0, 0.0 2,-0.4 0, 0.0 -163,-0.1 0.815 90.5 51.3 -64.0 -32.0 -12.8 6.4 11.4 256 338 A F - 0 0 56 -128,-0.2 0, 0.0 -164,-0.1 0, 0.0 -0.909 66.8-168.4-113.5 136.0 -13.2 4.0 14.3 257 339 A K 0 0 136 -2,-0.4 -129,-0.1 -129,-0.0 -130,-0.1 -0.954 360.0 360.0-126.8 111.6 -14.0 4.9 17.9 258 340 A P 0 0 76 0, 0.0 -130,-0.1 0, 0.0 -131,-0.1 -0.107 360.0 360.0 -77.5 360.0 -13.6 2.2 20.6