==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-AUG-09 3A62 . COMPND 2 MOLECULE: RIBOSOMAL PROTEIN S6 KINASE BETA-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.SUNAMI,N.BYRNE,R.E.DIEHL,K.FUNABASHI,D.L.HALL,M.IKUTA, . 264 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12997.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 67.8 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 . 40 15.2 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 . 24 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 1 1 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 . 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 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 . 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 85 A K 0 0 220 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -49.3 -40.2 40.6 -12.0 2 86 A I + 0 0 41 62,-0.1 62,-0.0 2,-0.0 0, 0.0 -0.667 360.0 154.2 -82.2 135.9 -37.5 38.0 -12.5 3 87 A R > - 0 0 132 -2,-0.3 3,-2.9 62,-0.0 4,-0.2 -0.978 56.9 -86.4-164.8 160.4 -38.9 34.6 -13.3 4 88 A P G > S+ 0 0 21 0, 0.0 3,-1.0 0, 0.0 -2,-0.0 0.716 119.6 57.4 -54.1 -28.0 -38.2 31.2 -15.0 5 89 A E G 3 S+ 0 0 111 1,-0.3 22,-0.1 3,-0.0 -3,-0.0 0.466 83.7 81.4 -87.3 -0.8 -39.4 32.4 -18.4 6 90 A C G < S+ 0 0 4 -3,-2.9 21,-2.7 21,-0.1 22,-0.8 0.536 96.3 55.2 -71.5 -7.4 -36.8 35.2 -18.4 7 91 A F E < -A 26 0A 12 -3,-1.0 2,-0.4 19,-0.2 19,-0.2 -0.967 69.2-152.4-128.2 143.6 -34.4 32.4 -19.5 8 92 A E E -A 25 0A 86 17,-2.4 17,-2.4 -2,-0.4 2,-0.2 -0.903 29.6-114.4-108.5 148.1 -34.3 29.9 -22.3 9 93 A L E +A 24 0A 101 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.537 31.8 174.9 -79.7 140.0 -32.5 26.6 -21.9 10 94 A L E - 0 0 62 13,-2.9 2,-0.3 1,-0.5 14,-0.2 0.770 62.5 -31.7-110.4 -51.8 -29.5 26.1 -24.1 11 95 A R E -A 23 0A 139 12,-1.2 12,-2.5 0, 0.0 2,-0.6 -0.961 62.8 -94.2-156.9 168.1 -28.1 22.8 -22.8 12 96 A V E -A 22 0A 72 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.825 29.4-175.0 -87.4 123.1 -27.8 20.7 -19.7 13 97 A L E - 0 0 69 8,-2.9 2,-0.2 -2,-0.6 9,-0.2 0.829 62.0 -37.3 -86.2 -37.3 -24.4 21.3 -17.9 14 98 A G E -A 21 0A 26 7,-1.6 7,-2.0 2,-0.1 -1,-0.3 -0.835 41.6-129.5 179.0 148.7 -24.9 18.7 -15.2 15 99 A K E +A 20 0A 163 -2,-0.2 5,-0.2 5,-0.2 2,-0.2 -0.494 44.4 133.4 -88.3 172.1 -27.2 16.8 -12.8 16 100 A G E > +A 19 0A 36 3,-1.2 3,-2.2 -2,-0.2 2,-0.4 -0.620 54.3 18.7 148.4 150.6 -26.2 16.4 -9.2 17 101 A G T 3 S- 0 0 23 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 -0.604 126.9 -49.6 64.4-124.6 -27.7 16.8 -5.7 18 102 A Y T 3 S+ 0 0 143 -2,-0.4 24,-1.2 -3,-0.1 2,-0.3 -0.119 121.1 78.7-123.6 35.6 -31.4 16.6 -6.6 19 103 A G E < -AB 16 41A 6 -3,-2.2 -3,-1.2 22,-0.2 2,-0.4 -0.833 68.1-123.8-139.4 169.3 -31.2 19.2 -9.3 20 104 A K E -AB 15 40A 60 20,-2.1 20,-3.5 -2,-0.3 2,-0.5 -0.895 16.1-150.8-112.4 148.9 -30.2 20.1 -12.9 21 105 A V E -AB 14 39A 36 -7,-2.0 -8,-2.9 -2,-0.4 -7,-1.6 -0.984 19.2-172.0-117.8 123.7 -27.9 22.8 -14.0 22 106 A F E -AB 12 38A 28 16,-3.2 16,-3.1 -2,-0.5 2,-0.5 -0.848 27.9-127.8-111.8 149.8 -28.5 24.4 -17.4 23 107 A Q E -AB 11 37A 27 -12,-2.5 -13,-2.9 -2,-0.3 -12,-1.2 -0.869 46.5-177.8 -82.1 128.6 -26.6 26.8 -19.5 24 108 A V E -AB 9 36A 0 12,-2.7 12,-2.4 -2,-0.5 2,-0.5 -0.879 29.4-136.2-132.1 160.8 -29.2 29.5 -20.3 25 109 A R E -AB 8 35A 93 -17,-2.4 -17,-2.4 -2,-0.3 2,-0.4 -0.974 21.3-135.5-115.5 128.2 -29.8 32.7 -22.2 26 110 A K E -A 7 0A 9 8,-2.5 7,-3.9 -2,-0.5 -19,-0.2 -0.670 21.3-178.8 -79.9 133.1 -31.5 35.6 -20.5 27 111 A V + 0 0 57 -21,-2.7 2,-0.3 -2,-0.4 5,-0.1 0.563 58.3 59.8-112.9 -10.4 -34.1 37.2 -22.9 28 112 A T S S+ 0 0 59 -22,-0.8 3,-0.2 3,-0.1 5,-0.1 -0.831 86.4 18.7-113.9 154.5 -35.5 40.0 -20.8 29 113 A G S > S- 0 0 48 -2,-0.3 3,-1.6 1,-0.2 -3,-0.0 -0.158 104.0 -46.5 92.1-178.7 -33.8 43.1 -19.3 30 114 A A T 3 S+ 0 0 108 1,-0.3 -1,-0.2 3,-0.0 0, 0.0 0.857 134.9 57.6 -58.3 -35.1 -30.6 45.0 -19.7 31 115 A N T > S+ 0 0 62 -3,-0.2 3,-2.3 2,-0.1 -5,-0.3 0.063 75.9 152.3 -88.6 24.1 -28.8 41.7 -19.7 32 116 A T T < S+ 0 0 81 -3,-1.6 -5,-0.3 1,-0.3 3,-0.1 -0.312 70.9 16.8 -51.0 130.6 -30.8 40.4 -22.6 33 117 A G T 3 S+ 0 0 39 -7,-3.9 -1,-0.3 1,-0.3 2,-0.1 0.247 93.5 135.2 88.9 -15.0 -28.7 37.9 -24.5 34 118 A K < - 0 0 103 -3,-2.3 -8,-2.5 -8,-0.2 -1,-0.3 -0.451 52.1-127.7 -73.9 141.5 -26.3 37.4 -21.6 35 119 A I E +B 25 0A 45 -10,-0.2 42,-0.6 -2,-0.1 2,-0.3 -0.674 34.7 161.0 -98.6 142.1 -25.4 33.8 -20.8 36 120 A F E -BC 24 76A 3 -12,-2.4 -12,-2.7 -2,-0.3 2,-0.4 -0.873 37.3-112.6-143.5 171.8 -25.7 32.2 -17.4 37 121 A A E -BC 23 75A 9 38,-3.4 38,-3.2 -2,-0.3 2,-0.4 -0.928 29.5-161.4-107.2 145.9 -25.8 28.9 -15.6 38 122 A M E -BC 22 74A 7 -16,-3.1 -16,-3.2 -2,-0.4 2,-0.6 -0.981 5.9-158.2-131.5 121.1 -29.1 28.0 -13.8 39 123 A K E -BC 21 73A 14 34,-2.6 34,-2.1 -2,-0.4 2,-0.6 -0.876 8.4-162.8 -99.6 124.4 -29.5 25.3 -11.2 40 124 A V E -BC 20 72A 3 -20,-3.5 -20,-2.1 -2,-0.6 2,-0.5 -0.929 5.3-170.8-110.4 117.0 -33.0 24.0 -10.7 41 125 A L E -BC 19 71A 38 30,-2.6 30,-2.7 -2,-0.6 2,-0.8 -0.925 21.3-133.0-111.5 125.2 -33.7 22.2 -7.5 42 126 A K 0 0 108 -24,-1.2 28,-0.2 -2,-0.5 -2,-0.0 -0.666 360.0 360.0 -78.2 108.4 -36.9 20.3 -7.1 43 127 A K 0 0 177 -2,-0.8 -1,-0.2 26,-0.4 27,-0.1 0.958 360.0 360.0 -62.2 360.0 -38.3 21.3 -3.6 44 ! 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 45 142 A A > 0 0 92 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-113.6 -28.5 26.2 2.7 46 143 A E H > + 0 0 20 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.905 360.0 49.9 -72.0 -44.7 -26.7 26.3 -0.7 47 144 A R H > S+ 0 0 89 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.841 108.1 54.8 -62.9 -33.0 -28.4 29.5 -1.7 48 145 A N H > S+ 0 0 95 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.909 108.9 46.5 -70.4 -40.6 -27.4 31.0 1.7 49 146 A I H X S+ 0 0 40 -4,-1.4 4,-1.6 1,-0.2 3,-0.2 0.960 114.9 47.0 -60.9 -50.3 -23.7 30.2 1.2 50 147 A L H < S+ 0 0 5 -4,-2.4 11,-0.5 1,-0.2 -2,-0.2 0.808 111.6 51.3 -64.7 -30.7 -23.8 31.6 -2.4 51 148 A E H < S+ 0 0 109 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.857 111.2 48.3 -73.3 -33.8 -25.6 34.7 -1.2 52 149 A E H < S+ 0 0 115 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.763 96.6 87.6 -78.8 -27.9 -23.1 35.4 1.5 53 150 A V < + 0 0 15 -4,-1.6 8,-0.2 -5,-0.1 2,-0.2 -0.435 39.5 170.1 -83.4 145.4 -19.9 35.0 -0.5 54 151 A K + 0 0 176 -2,-0.2 5,-0.1 6,-0.1 6,-0.1 -0.675 28.6 130.6-148.5 97.1 -18.0 37.5 -2.6 55 152 A H > - 0 0 22 3,-0.4 3,-1.4 -2,-0.2 53,-0.0 -0.991 60.1-126.2-145.5 145.7 -14.6 36.2 -3.9 56 153 A P T 3 S+ 0 0 32 0, 0.0 4,-0.1 0, 0.0 78,-0.1 0.647 114.1 48.4 -63.9 -15.1 -12.9 36.2 -7.2 57 154 A F T 3 S+ 0 0 0 47,-0.1 80,-2.1 2,-0.1 2,-0.4 0.153 101.3 74.8-116.0 15.8 -12.4 32.5 -6.8 58 155 A I B < S-e 137 0B 0 -3,-1.4 -3,-0.4 78,-0.3 80,-0.2 -0.991 91.3 -99.5-127.9 142.6 -15.9 31.6 -5.9 59 156 A V - 0 0 5 78,-2.5 2,-0.4 -2,-0.4 -4,-0.1 -0.202 36.6-118.7 -64.0 143.8 -18.9 31.6 -8.3 60 157 A D - 0 0 63 -4,-0.1 16,-1.9 -6,-0.1 2,-0.5 -0.712 13.6-146.0 -84.1 128.6 -21.2 34.6 -8.5 61 158 A L E +D 75 0A 32 -11,-0.5 14,-0.2 -2,-0.4 3,-0.1 -0.836 22.7 173.0 -85.9 127.5 -24.9 34.2 -7.6 62 159 A I E + 0 0 63 12,-3.6 2,-0.3 -2,-0.5 13,-0.2 0.868 61.0 3.0-102.8 -62.5 -26.8 36.6 -9.8 63 160 A Y E -D 74 0A 57 11,-0.9 11,-3.4 2,-0.0 -1,-0.4 -0.924 58.3-173.5-123.5 152.9 -30.5 35.9 -9.3 64 161 A A E +D 73 0A 35 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.978 18.6 145.7-142.5 138.4 -32.3 33.5 -6.9 65 162 A F E -D 72 0A 23 7,-2.2 7,-3.3 -2,-0.3 2,-0.4 -0.986 34.3-135.2-164.0 155.9 -36.0 32.8 -6.8 66 163 A Q E +D 71 0A 102 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.953 27.1 161.4-117.4 140.9 -38.6 30.1 -6.2 67 164 A T - 0 0 71 3,-1.7 3,-0.3 -2,-0.4 2,-0.3 -0.898 63.2 -11.1-160.9 130.6 -41.7 29.5 -8.4 68 165 A G S S- 0 0 68 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.640 122.5 -45.4 73.1-142.2 -43.9 26.5 -8.5 69 166 A G S S+ 0 0 48 -2,-0.3 -26,-0.4 -3,-0.1 -1,-0.2 0.871 117.7 92.6 -82.2 -41.4 -42.1 23.8 -6.6 70 167 A K - 0 0 83 -3,-0.3 -3,-1.7 -28,-0.2 2,-0.4 -0.059 64.6-143.4 -58.6 147.6 -38.6 24.4 -8.1 71 168 A L E -CD 41 66A 38 -30,-2.7 -30,-2.6 -5,-0.2 2,-0.5 -0.961 18.2-152.7-106.9 134.3 -36.0 26.7 -6.6 72 169 A Y E -CD 40 65A 23 -7,-3.3 -7,-2.2 -2,-0.4 2,-0.5 -0.911 13.5-174.8-114.4 125.7 -33.9 28.6 -9.2 73 170 A L E -CD 39 64A 3 -34,-2.1 -34,-2.6 -2,-0.5 2,-0.7 -0.982 11.7-156.0-116.2 123.4 -30.3 29.8 -8.7 74 171 A I E +CD 38 63A 0 -11,-3.4 -12,-3.6 -2,-0.5 -11,-0.9 -0.895 22.1 175.0-101.6 117.7 -28.8 31.9 -11.5 75 172 A L E -CD 37 61A 19 -38,-3.2 -38,-3.4 -2,-0.7 -14,-0.2 -0.796 37.5 -85.7-119.7 158.7 -25.1 31.7 -11.5 76 173 A E E -C 36 0A 39 -16,-1.9 2,-0.5 -2,-0.3 -40,-0.2 -0.280 48.2-109.9 -58.2 146.0 -22.3 33.1 -13.8 77 174 A Y - 0 0 59 -42,-0.6 2,-0.8 -53,-0.1 54,-0.3 -0.713 25.8-158.6 -79.5 125.9 -21.5 30.9 -16.7 78 175 A L > + 0 0 19 -2,-0.5 3,-1.5 1,-0.1 51,-0.3 -0.751 14.4 176.7-106.7 84.2 -18.1 29.3 -16.3 79 176 A S T 3 + 0 0 60 -2,-0.8 51,-0.2 1,-0.3 -1,-0.1 0.663 66.5 81.1 -63.7 -15.2 -17.1 28.4 -19.8 80 177 A G T 3 S- 0 0 7 49,-0.9 -1,-0.3 1,-0.1 50,-0.2 0.781 86.7-150.8 -64.3 -29.6 -13.7 27.2 -18.6 81 178 A G E < -F 129 0B 24 -3,-1.5 48,-1.8 48,-0.7 2,-0.2 -0.256 36.5 -23.5 92.1-179.2 -15.0 23.8 -17.4 82 179 A E E >> -F 128 0B 62 46,-0.2 3,-1.3 1,-0.2 4,-0.7 -0.472 47.7-136.5 -66.3 136.2 -14.0 21.3 -14.7 83 180 A L H >> S+ 0 0 0 44,-3.4 4,-1.8 41,-0.5 3,-1.0 0.848 105.0 74.3 -57.2 -32.5 -10.4 21.6 -13.6 84 181 A F H 3> S+ 0 0 53 40,-1.9 4,-2.4 43,-0.5 -1,-0.3 0.836 86.8 57.5 -45.9 -40.9 -10.8 17.9 -13.8 85 182 A M H <> S+ 0 0 106 -3,-1.3 4,-1.7 39,-0.2 -1,-0.2 0.861 104.4 51.6 -69.2 -28.4 -10.7 18.0 -17.6 86 183 A Q H - 0 0 119 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.424 36.2-107.7 -62.2 155.9 4.1 20.3 -13.4 95 192 A E H > S+ 0 0 37 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.800 120.3 58.5 -65.0 -27.5 4.5 21.9 -10.0 96 193 A D H > S+ 0 0 127 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.958 109.2 44.7 -62.6 -51.6 4.2 25.4 -11.5 97 194 A T H > S+ 0 0 19 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.959 116.0 45.5 -53.5 -58.7 0.8 24.5 -12.9 98 195 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.910 109.4 56.5 -53.7 -46.8 -0.4 22.8 -9.7 99 196 A C H X S+ 0 0 13 -4,-2.7 4,-2.9 -5,-0.2 -1,-0.2 0.912 104.0 52.9 -56.4 -48.1 0.9 25.6 -7.5 100 197 A F H X S+ 0 0 14 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.969 114.6 40.5 -47.3 -61.3 -1.1 28.2 -9.4 101 198 A Y H X S+ 0 0 0 -4,-1.7 4,-3.1 1,-0.2 5,-0.2 0.912 116.1 49.0 -60.5 -46.1 -4.4 26.3 -8.9 102 199 A L H X S+ 0 0 2 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.873 109.8 53.8 -62.5 -37.8 -3.7 25.3 -5.3 103 200 A A H X S+ 0 0 0 -4,-2.9 4,-1.6 -5,-0.3 -2,-0.2 0.942 112.0 42.9 -61.5 -48.7 -2.8 28.9 -4.5 104 201 A E H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 3,-0.2 0.947 113.1 52.6 -63.7 -47.6 -6.1 30.2 -5.9 105 202 A I H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.877 105.8 56.3 -53.0 -37.3 -8.0 27.5 -4.2 106 203 A S H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.908 105.3 49.0 -66.8 -41.1 -6.3 28.4 -0.9 107 204 A M H X S+ 0 0 27 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.890 112.3 49.3 -64.3 -38.6 -7.5 32.0 -1.0 108 205 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.898 110.5 50.9 -62.2 -41.8 -11.0 30.8 -1.7 109 206 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.913 109.1 51.4 -64.7 -43.0 -10.7 28.3 1.2 110 207 A G H X S+ 0 0 9 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.958 108.7 50.5 -54.6 -52.1 -9.6 31.2 3.5 111 208 A H H X S+ 0 0 38 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.906 112.1 47.7 -55.5 -44.7 -12.5 33.3 2.5 112 209 A L H <>S+ 0 0 0 -4,-2.2 5,-3.6 1,-0.2 -1,-0.2 0.889 111.1 49.7 -64.6 -41.1 -15.0 30.5 3.2 113 210 A H H ><5S+ 0 0 21 -4,-2.3 3,-1.3 3,-0.3 -1,-0.2 0.828 104.9 58.4 -69.7 -32.4 -13.4 29.7 6.6 114 211 A Q H 3<5S+ 0 0 163 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.849 109.6 45.4 -60.4 -35.0 -13.6 33.3 7.5 115 212 A K T 3<5S- 0 0 83 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.310 124.2-107.3 -90.6 7.5 -17.3 33.0 6.9 116 213 A G T < 5S+ 0 0 67 -3,-1.3 2,-0.5 1,-0.2 -3,-0.3 0.829 73.2 143.9 71.7 30.7 -17.5 29.7 8.8 117 214 A I < - 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0 0 33 1,-0.1 -1,-0.2 -2,-0.1 3,-0.2 -0.340 42.0-166.4 -63.5 142.2 -15.9 9.2 -4.3 151 257 A I > + 0 0 1 1,-0.1 3,-1.7 -4,-0.1 -1,-0.1 0.266 57.7 107.8-111.6 8.7 -14.4 9.7 -0.9 152 258 A E T 3 S+ 0 0 50 1,-0.3 35,-0.4 -31,-0.0 -1,-0.1 0.628 81.1 45.1 -68.8 -14.8 -10.8 9.8 -2.0 153 259 A Y T 3 S+ 0 0 10 -3,-0.2 -31,-0.5 32,-0.1 2,-0.3 0.256 94.4 101.9-108.8 11.4 -10.4 13.5 -1.3 154 260 A M S < S- 0 0 3 -3,-1.7 -33,-0.1 -33,-0.1 15,-0.1 -0.732 75.7-108.6-103.9 146.2 -12.1 13.5 2.0 155 261 A A >> - 0 0 0 -35,-0.4 4,-1.5 -2,-0.3 3,-1.3 -0.341 26.0-121.6 -66.6 147.7 -10.6 13.7 5.5 156 262 A P H 3> S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -1,-0.1 0.858 111.8 60.4 -58.3 -36.5 -10.7 10.5 7.6 157 263 A E H 34>S+ 0 0 13 1,-0.2 5,-1.6 2,-0.2 6,-0.3 0.676 105.8 49.9 -70.6 -13.3 -12.5 12.3 10.5 158 264 A I H <45S+ 0 0 2 -3,-1.3 -1,-0.2 3,-0.2 3,-0.2 0.836 109.3 50.8 -82.5 -39.1 -15.3 13.0 7.9 159 265 A L H <5S+ 0 0 7 -4,-1.5 2,-0.9 1,-0.3 -2,-0.2 0.936 115.0 42.1 -67.5 -47.7 -15.4 9.3 6.8 160 266 A M T <5S- 0 0 80 -4,-2.8 2,-0.7 3,-0.1 -1,-0.3 -0.856 104.6-127.4 -97.3 99.4 -15.7 8.0 10.4 161 267 A R T 5 + 0 0 165 -2,-0.9 -3,-0.2 -3,-0.2 -4,-0.1 -0.221 62.3 134.0 -59.5 95.4 -18.2 10.6 11.6 162 268 A S S - 0 0 86 -2,-0.3 3,-2.2 0, 0.0 4,-0.3 -0.540 58.8 -47.4-136.6-155.9 -13.8 21.5 11.3 166 272 A R T >> S+ 0 0 69 1,-0.3 3,-1.6 -2,-0.2 4,-0.6 0.670 115.9 81.6 -58.8 -17.7 -12.1 23.5 8.6 167 273 A A H >> S+ 0 0 0 1,-0.3 4,-1.7 2,-0.2 3,-0.9 0.811 78.4 68.4 -56.6 -32.0 -9.0 21.3 8.8 168 274 A V H <> S+ 0 0 0 -3,-2.2 4,-2.2 1,-0.3 -1,-0.3 0.824 94.4 58.3 -58.6 -29.9 -10.8 18.8 6.6 169 275 A D H <> S+ 0 0 0 -3,-1.6 4,-1.9 -4,-0.3 -1,-0.3 0.803 102.5 50.7 -72.6 -29.8 -10.4 21.3 3.8 170 276 A W H X S+ 0 0 2 -4,-1.7 4,-2.7 2,-0.2 3,-0.5 0.971 109.6 49.5 -54.5 -55.3 -6.5 17.6 4.0 172 278 A S H 3X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.3 5,-0.2 0.872 106.7 55.1 -58.6 -38.5 -8.6 17.8 0.8 173 279 A L H 3X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 -1,-0.3 0.890 110.3 47.4 -57.8 -39.0 -6.2 20.4 -0.6 174 280 A G H S- 0 0 89 1,-0.1 4,-1.8 -3,-0.0 -2,-0.2 -0.736 94.4 -86.9-131.5-176.8 -12.8 -1.7 -3.4 192 298 A R H > S+ 0 0 92 -2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.947 122.1 46.3 -58.7 -55.7 -14.7 0.8 -1.3 193 299 A K H > S+ 0 0 149 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.884 112.5 51.0 -57.7 -41.3 -13.9 -0.7 2.1 194 300 A K H > S+ 0 0 90 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.839 108.7 52.9 -68.4 -32.4 -10.2 -1.0 1.3 195 301 A T H X S+ 0 0 10 -4,-1.8 4,-1.6 -3,-0.3 -2,-0.2 0.959 108.9 48.6 -65.0 -52.4 -10.1 2.6 0.2 196 302 A I H >X S+ 0 0 34 -4,-2.4 4,-2.1 1,-0.2 3,-0.6 0.937 110.2 50.8 -52.0 -52.1 -11.6 3.9 3.4 197 303 A D H 3X S+ 0 0 100 -4,-2.2 4,-2.5 1,-0.3 5,-0.2 0.889 107.2 54.8 -56.8 -39.6 -9.2 1.8 5.6 198 304 A K H 3X>S+ 0 0 79 -4,-1.7 4,-1.4 1,-0.2 5,-0.6 0.846 108.0 49.3 -63.6 -34.5 -6.2 3.2 3.6 199 305 A I H <<5S+ 0 0 1 -4,-1.6 -1,-0.2 -3,-0.6 -2,-0.2 0.900 111.0 48.7 -71.1 -42.5 -7.3 6.8 4.3 200 306 A L H <5S+ 0 0 43 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.924 111.9 48.2 -62.9 -47.2 -7.7 6.1 8.1 201 307 A K H <5S- 0 0 146 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.846 91.4-164.8 -62.9 -34.2 -4.3 4.4 8.3 202 308 A C T <5 + 0 0 19 -4,-1.4 2,-1.2 -5,-0.2 22,-0.2 0.882 15.9 172.7 51.5 49.6 -3.0 7.4 6.4 203 309 A K < - 0 0 150 -5,-0.6 -1,-0.2 20,-0.1 2,-0.2 -0.749 25.2-147.0 -89.4 93.5 0.4 5.8 5.4 204 310 A L - 0 0 37 -2,-1.2 2,-0.7 18,-0.2 -17,-0.1 -0.388 12.2-157.8 -75.3 132.1 1.6 8.5 3.1 205 311 A N - 0 0 116 -19,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 -0.831 8.3-161.3-110.2 95.1 3.7 7.6 0.1 206 312 A L - 0 0 48 -2,-0.7 9,-0.1 1,-0.1 -28,-0.0 -0.620 21.4-125.7 -75.9 119.5 5.7 10.6 -1.1 207 313 A P > - 0 0 25 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 -0.437 15.1-132.7 -62.5 137.3 7.0 10.1 -4.6 208 314 A P T 3 S+ 0 0 94 0, 0.0 7,-0.1 0, 0.0 -2,-0.0 0.639 98.2 63.3 -69.4 -14.2 10.8 10.6 -4.7 209 315 A Y T 3 S+ 0 0 212 2,-0.0 3,-0.1 3,-0.0 -3,-0.0 0.730 77.4 98.4 -88.7 -22.8 10.6 12.9 -7.7 210 316 A L S < S- 0 0 15 -3,-0.9 5,-0.0 1,-0.1 -28,-0.0 -0.288 85.4 -96.7 -64.6 149.8 8.7 15.8 -6.2 211 317 A T > - 0 0 50 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.136 32.5-109.7 -60.1 164.4 10.7 18.8 -5.0 212 318 A Q H > S+ 0 0 149 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.853 121.6 51.4 -64.7 -34.3 11.5 19.0 -1.3 213 319 A E H > S+ 0 0 62 2,-0.2 4,-2.2 1,-0.2 32,-0.3 0.933 110.1 47.9 -68.3 -44.5 9.0 21.8 -1.0 214 320 A A H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.882 113.5 48.3 -65.3 -39.0 6.3 19.9 -2.7 215 321 A R H X S+ 0 0 73 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.885 110.2 50.9 -67.1 -40.0 7.0 16.8 -0.5 216 322 A D H X S+ 0 0 47 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.877 110.5 48.1 -70.4 -38.9 7.0 18.9 2.8 217 323 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 5,-0.2 0.907 111.8 50.2 -64.3 -43.0 3.7 20.6 2.1 218 324 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.915 110.2 50.8 -60.8 -39.9 2.1 17.2 1.2 219 325 A K H < S+ 0 0 121 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.845 112.5 45.6 -70.6 -34.7 3.4 15.7 4.4 220 326 A K H < S+ 0 0 84 -4,-1.7 10,-1.6 -5,-0.1 -1,-0.2 0.719 117.3 44.4 -79.6 -21.3 2.0 18.6 6.5 221 327 A L H < S+ 0 0 0 -4,-1.7 2,-1.9 8,-0.2 -2,-0.2 0.924 105.1 59.2 -86.5 -50.1 -1.4 18.5 4.7 222 328 A L S < S+ 0 0 4 -4,-2.7 2,-0.4 -5,-0.2 -1,-0.2 -0.492 75.5 136.9 -86.2 73.7 -2.1 14.8 4.6 223 329 A K - 0 0 70 -2,-1.9 6,-0.1 -3,-0.2 -21,-0.1 -0.968 55.2-140.9-123.1 136.1 -2.1 14.0 8.3 224 330 A R S S+ 0 0 102 -2,-0.4 2,-0.9 -22,-0.2 -67,-0.2 0.899 92.1 74.9 -57.9 -42.4 -4.4 11.8 10.3 225 331 A N > - 0 0 99 1,-0.2 3,-0.8 3,-0.1 4,-0.1 -0.632 69.6-165.5 -77.4 106.2 -4.3 14.2 13.2 226 332 A A G > S+ 0 0 22 -2,-0.9 3,-2.3 1,-0.2 -1,-0.2 0.912 81.1 58.6 -60.2 -48.4 -6.4 17.1 12.1 227 333 A A G 3 S+ 0 0 83 1,-0.3 -1,-0.2 4,-0.0 4,-0.1 0.769 105.3 52.2 -57.4 -26.8 -5.4 19.7 14.7 228 334 A S G < S+ 0 0 49 -3,-0.8 -1,-0.3 2,-0.1 -2,-0.2 0.282 83.1 114.1 -98.6 11.2 -1.7 19.3 13.6 229 335 A R S X S- 0 0 5 -3,-2.3 3,-1.8 -6,-0.1 4,-0.5 -0.512 80.5 -99.3 -74.2 147.8 -2.3 20.0 9.8 230 336 A L T 3 S+ 0 0 32 -10,-1.6 -1,-0.1 1,-0.2 -2,-0.1 -0.564 117.1 26.0 -61.1 121.9 -0.9 23.0 8.2 231 337 A G T 3 S+ 0 0 0 -2,-0.4 -1,-0.2 -4,-0.1 5,-0.1 0.126 95.2 96.2 103.7 -19.3 -3.8 25.4 8.0 232 338 A A S < S+ 0 0 15 -3,-1.8 -2,-0.2 -6,-0.1 -65,-0.1 0.733 73.2 83.4 -72.1 -20.0 -5.5 23.8 11.0 233 339 A G S > S- 0 0 17 -4,-0.5 3,-1.8 3,-0.2 6,-0.1 -0.082 104.5 -88.0 -78.4-179.4 -4.0 26.5 13.1 234 340 A P T 3 S+ 0 0 126 0, 0.0 3,-0.1 0, 0.0 4,-0.1 0.757 123.9 62.5 -64.6 -26.4 -5.3 30.1 13.7 235 341 A G T > S+ 0 0 38 1,-0.2 3,-2.0 2,-0.1 4,-0.4 0.629 80.0 174.6 -72.7 -12.0 -3.5 31.4 10.6 236 342 A D T X> + 0 0 19 -3,-1.8 4,-1.2 1,-0.3 3,-0.6 -0.147 69.4 7.1 43.0-120.3 -5.6 29.1 8.5 237 343 A A H 3> S+ 0 0 7 1,-0.3 4,-3.2 2,-0.2 -1,-0.3 0.796 128.2 61.6 -64.2 -32.1 -4.9 29.8 4.8 238 344 A G H <> S+ 0 0 37 -3,-2.0 4,-2.2 2,-0.2 -1,-0.3 0.925 100.3 54.4 -57.5 -45.5 -2.0 32.2 5.6 239 345 A E H <> S+ 0 0 68 -3,-0.6 4,-0.6 -4,-0.4 -1,-0.2 0.922 114.4 41.8 -51.1 -46.2 -0.2 29.3 7.3 240 346 A V H >< S+ 0 0 0 -4,-1.2 3,-0.9 1,-0.2 6,-0.2 0.892 112.9 51.1 -72.7 -41.6 -0.5 27.3 4.1 241 347 A Q H 3< S+ 0 0 38 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.757 102.9 63.4 -69.0 -23.0 0.3 30.2 1.8 242 348 A A H 3< S+ 0 0 78 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.777 77.4 111.2 -67.4 -29.3 3.4 30.9 3.9 243 349 A H S X< S- 0 0 10 -3,-0.9 3,-2.7 -4,-0.6 -30,-0.0 -0.161 80.4-120.3 -55.0 138.9 4.8 27.5 2.9 244 350 A P G > S+ 0 0 72 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.567 108.7 75.9 -62.7 -8.1 7.9 27.7 0.7 245 351 A F G 3 S+ 0 0 10 1,-0.3 2,-0.5 -32,-0.3 3,-0.3 0.832 98.4 47.6 -66.0 -31.7 6.1 25.7 -2.0 246 352 A F G < S+ 0 0 7 -3,-2.7 -1,-0.3 -6,-0.2 0, 0.0 -0.506 77.4 120.3-103.1 59.7 4.2 29.0 -2.6 247 353 A R S < S+ 0 0 125 -3,-0.7 -1,-0.2 -2,-0.5 -2,-0.1 0.762 72.5 48.4 -94.6 -29.9 7.4 31.1 -2.7 248 354 A H S S+ 0 0 150 -3,-0.3 2,-1.0 -4,-0.1 -1,-0.1 0.396 85.9 113.0 -89.3 2.3 6.9 32.4 -6.2 249 355 A I - 0 0 31 -8,-0.1 2,-0.9 4,-0.0 3,-0.1 -0.681 52.5-160.6 -88.5 103.2 3.3 33.4 -5.6 250 356 A N > - 0 0 78 -2,-1.0 4,-1.6 1,-0.2 5,-0.1 -0.739 14.8-168.8 -71.3 109.8 2.7 37.1 -5.6 251 357 A W H > S+ 0 0 56 -2,-0.9 4,-3.0 2,-0.2 5,-0.3 0.909 76.5 56.3 -77.3 -43.0 -0.6 36.9 -3.8 252 358 A E H > S+ 0 0 167 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.831 115.0 42.1 -60.4 -31.4 -1.9 40.4 -4.2 253 359 A E H 4>S+ 0 0 71 2,-0.2 5,-3.1 1,-0.1 6,-0.7 0.805 110.2 55.4 -83.1 -34.2 -1.6 39.9 -8.0 254 360 A L H ><5S+ 0 0 0 -4,-1.6 3,-1.8 3,-0.2 -2,-0.2 0.954 109.8 47.6 -61.9 -49.4 -3.0 36.4 -7.9 255 361 A L H 3<5S+ 0 0 68 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.870 108.7 53.8 -58.1 -39.0 -6.1 37.7 -6.2 256 362 A A T 3<5S- 0 0 57 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.448 113.6-123.8 -74.5 -0.1 -6.3 40.5 -8.7 257 363 A R T < 5S+ 0 0 73 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.866 75.6 128.3 55.6 39.6 -6.3 37.7 -11.3 258 364 A K < + 0 0 141 -5,-3.1 2,-0.4 2,-0.1 -4,-0.2 0.477 45.6 91.8 -98.7 -7.1 -3.2 39.4 -12.9 259 365 A V S S- 0 0 48 -6,-0.7 0, 0.0 -5,-0.2 0, 0.0 -0.741 84.5-118.8 -86.2 136.7 -1.3 36.1 -12.9 260 366 A E - 0 0 131 -2,-0.4 -2,-0.1 1,-0.1 -127,-0.1 -0.636 24.1-124.9 -82.9 125.5 -1.7 34.1 -16.0 261 367 A P - 0 0 6 0, 0.0 -127,-0.1 0, 0.0 -164,-0.1 -0.340 18.6-119.7 -67.4 146.8 -3.3 30.6 -15.7 262 368 A P S S+ 0 0 46 0, 0.0 2,-0.4 0, 0.0 -165,-0.1 0.685 99.2 35.8 -62.1 -19.3 -1.3 27.7 -17.0 263 369 A F - 0 0 39 -130,-0.2 -177,-0.0 -131,-0.1 0, 0.0 -1.000 61.9-160.5-138.5 139.2 -4.2 26.9 -19.4 264 370 A K - 0 0 84 -2,-0.4 2,-2.0 -4,-0.1 -131,-0.1 -0.966 33.4-125.3-114.5 110.1 -6.6 29.1 -21.3 265 371 A P 0 0 39 0, 0.0 -132,-0.1 0, 0.0 -2,-0.0 -0.274 360.0 360.0 -61.7 83.4 -9.6 26.9 -22.2 266 372 A L 0 0 207 -2,-2.0 -135,-0.0 -186,-0.0 -186,-0.0 -0.407 360.0 360.0 168.0 360.0 -9.3 27.8 -25.9