==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 22-AUG-95 1CYX . COMPND 2 MOLECULE: CYOA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.WILMANNS,P.LAPPALAINEN,M.KELLY,E.SAUER-ERIKSSON,M.SARASTE . 158 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 22.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 2 1.3 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 . 13 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 1 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 1 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 1 125 A K 0 0 107 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 121.6 16.7 42.4 15.1 2 126 A P - 0 0 59 0, 0.0 2,-0.4 0, 0.0 35,-0.2 -0.433 360.0-125.4 -70.9 149.7 14.3 39.5 15.8 3 127 A I E -a 37 0A 2 33,-2.2 35,-2.6 29,-0.1 2,-0.5 -0.863 13.0-146.4-106.3 136.8 11.3 39.2 13.4 4 128 A T E -a 38 0A 40 -2,-0.4 2,-0.4 33,-0.2 16,-0.4 -0.894 17.1-174.8-102.3 124.6 7.7 39.1 14.7 5 129 A I E -a 39 0A 0 33,-2.8 35,-2.3 -2,-0.5 2,-0.3 -0.980 13.0-149.5-125.3 124.4 5.3 37.0 12.7 6 130 A E E -aB 40 17A 19 11,-2.5 11,-2.5 -2,-0.4 2,-0.4 -0.658 14.4-162.5 -90.2 143.6 1.5 36.8 13.3 7 131 A V E -aB 41 16A 0 33,-2.7 35,-1.8 -2,-0.3 2,-0.5 -0.991 12.7-176.0-133.0 127.0 -0.3 33.5 12.6 8 132 A V E -aB 42 15A 0 7,-2.9 7,-2.5 -2,-0.4 2,-0.6 -0.963 19.9-144.5-120.4 112.8 -4.0 32.9 12.1 9 133 A S E -aB 43 14A 0 33,-2.4 35,-1.8 -2,-0.5 36,-0.5 -0.674 23.9-172.8 -80.3 120.9 -5.0 29.2 11.7 10 134 A M E > - B 0 13A 0 3,-2.5 2,-1.5 -2,-0.6 3,-1.1 -0.563 45.4 -65.9-106.2 170.4 -7.9 28.9 9.2 11 135 A D T 3 S- 0 0 30 120,-0.4 123,-1.0 1,-0.3 -1,-0.1 -0.461 119.8 -19.4 -67.4 90.7 -10.0 26.0 8.2 12 136 A W T 3 S+ 0 0 28 -2,-1.5 125,-0.5 121,-0.1 124,-0.5 0.544 126.9 59.1 83.1 32.0 -7.3 24.1 6.5 13 137 A K E < S-B 10 0A 1 -3,-1.1 -3,-2.5 81,-0.2 2,-0.5 -0.950 74.8-113.3-169.8 156.8 -4.5 26.6 5.7 14 138 A W E -B 9 0A 0 81,-0.4 13,-1.9 -2,-0.3 2,-0.5 -0.872 19.2-157.2-104.5 125.8 -2.3 29.0 7.6 15 139 A F E -BC 8 26A 0 -7,-2.5 -7,-2.9 -2,-0.5 2,-0.4 -0.865 14.9-164.7-100.4 130.2 -2.6 32.8 7.2 16 140 A F E -BC 7 25A 0 9,-2.3 9,-2.1 -2,-0.5 2,-0.4 -0.923 5.3-164.0-118.9 141.7 0.6 34.7 8.2 17 141 A I E -BC 6 24A 5 -11,-2.5 -11,-2.5 -2,-0.4 7,-0.2 -0.943 14.5-162.1-126.0 144.4 1.1 38.4 8.9 18 142 A Y E >> - C 0 23A 0 5,-2.4 4,-2.7 -2,-0.4 5,-1.0 -0.737 13.6-178.4-122.7 78.8 4.2 40.5 9.0 19 143 A P T 45S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 -14,-0.1 0.798 78.5 53.4 -45.7 -41.9 2.9 43.6 10.9 20 144 A E T 45S+ 0 0 90 -16,-0.4 -15,-0.1 1,-0.2 -2,-0.0 0.960 119.0 30.6 -62.0 -56.3 6.3 45.4 10.7 21 145 A Q T 45S- 0 0 46 -3,-0.2 -1,-0.2 2,-0.1 -4,-0.0 0.650 104.0-122.2 -80.1 -21.4 6.7 45.1 6.9 22 146 A G T <5 + 0 0 27 -4,-2.7 2,-0.3 1,-0.3 123,-0.1 0.877 68.1 118.6 81.3 37.8 3.1 45.2 5.9 23 147 A I E < -C 18 0A 0 -5,-1.0 -5,-2.4 121,-0.1 2,-0.3 -0.882 40.6-163.5-131.8 160.8 2.8 41.9 4.0 24 148 A A E -CD 17 142A 0 118,-1.4 118,-1.9 -2,-0.3 2,-0.3 -0.930 7.9-175.0-141.4 159.4 0.8 38.7 4.4 25 149 A T E -CD 16 141A 0 -9,-2.1 -9,-2.3 -2,-0.3 2,-0.4 -0.921 21.5-128.7-148.5 177.4 1.0 35.2 3.1 26 150 A V E S-CD 15 140A 0 114,-1.5 114,-0.9 -2,-0.3 -11,-0.2 -0.999 84.2 -16.5-136.4 125.7 -0.6 31.7 2.9 27 151 A N S S+ 0 0 14 -13,-1.9 70,-1.1 -2,-0.4 2,-0.3 0.574 115.8 78.3 54.5 23.7 1.3 28.5 3.7 28 152 A E E +f 97 0B 28 -14,-0.2 2,-0.3 68,-0.2 70,-0.2 -0.918 46.0 170.6-161.8 134.9 4.8 29.9 3.5 29 153 A I E -f 98 0B 0 68,-2.2 70,-2.6 -2,-0.3 2,-0.3 -0.942 8.9-166.2-140.1 155.0 7.2 32.0 5.6 30 154 A A E +f 99 0B 1 -2,-0.3 70,-0.2 68,-0.2 -2,-0.0 -0.939 15.2 155.1-139.4 157.3 10.8 33.0 5.4 31 155 A F E -f 100 0B 2 68,-2.2 70,-1.4 -2,-0.3 4,-0.1 -0.855 47.0 -77.8-177.6 149.3 13.2 34.6 7.9 32 156 A P E > -f 101 0B 4 0, 0.0 3,-0.6 0, 0.0 41,-0.3 -0.123 46.9-114.4 -59.2 148.9 16.9 34.7 8.5 33 157 A A T 3 S+ 0 0 13 68,-1.8 41,-0.2 1,-0.2 71,-0.0 -0.409 97.8 24.0 -77.3 160.9 18.7 31.8 10.0 34 158 A N T 3 S+ 0 0 110 39,-3.2 -1,-0.2 1,-0.2 40,-0.1 0.851 101.5 117.1 46.9 41.4 20.3 32.1 13.5 35 159 A T S < S- 0 0 26 -3,-0.6 38,-0.5 38,-0.3 2,-0.2 -0.994 71.6-107.3-138.0 137.3 17.9 34.9 14.1 36 160 A P - 0 0 43 0, 0.0 -33,-2.2 0, 0.0 2,-0.4 -0.493 32.5-166.5 -70.6 136.9 15.1 35.1 16.8 37 161 A V E -aE 3 71A 0 34,-2.2 34,-1.4 -35,-0.2 2,-0.6 -0.983 6.9-159.5-126.6 131.3 11.5 34.7 15.6 38 162 A Y E -aE 4 70A 76 -35,-2.6 -33,-2.8 -2,-0.4 2,-0.6 -0.937 6.9-161.7-116.0 113.6 8.4 35.5 17.7 39 163 A F E -aE 5 69A 2 30,-2.2 30,-1.4 -2,-0.6 2,-0.7 -0.831 4.2-162.6 -95.6 119.2 5.2 34.0 16.6 40 164 A K E -aE 6 68A 67 -35,-2.3 -33,-2.7 -2,-0.6 2,-0.3 -0.933 25.7-164.1-100.8 119.2 2.0 35.6 17.9 41 165 A V E +aE 7 67A 0 26,-2.8 26,-2.6 -2,-0.7 2,-0.3 -0.829 23.0 144.5-116.9 146.0 -0.7 32.9 17.3 42 166 A T E -a 8 0A 0 -35,-1.8 -33,-2.4 -2,-0.3 2,-0.3 -0.955 32.0-125.0-158.9 172.9 -4.5 32.6 17.2 43 167 A S E -a 9 0A 0 19,-0.9 21,-0.5 22,-0.3 -33,-0.2 -0.954 4.1-158.3-130.8 147.7 -7.4 30.8 15.4 44 168 A N S S+ 0 0 25 -35,-1.8 2,-0.1 -2,-0.3 -34,-0.1 0.334 86.7 6.5-104.0 3.7 -10.4 32.1 13.5 45 169 A S S S- 0 0 48 1,-0.6 18,-0.6 -36,-0.5 -2,-0.1 -0.354 114.9 -7.4-147.0-131.9 -12.3 28.8 13.9 46 170 A V S S- 0 0 76 1,-0.1 -1,-0.6 41,-0.1 2,-0.3 0.040 85.9 -72.9 -66.5-175.8 -11.7 25.5 15.8 47 171 A M + 0 0 80 39,-0.1 2,-0.2 15,-0.1 15,-0.2 -0.626 52.7 175.6 -88.4 134.3 -8.5 24.6 17.6 48 172 A H E -H 61 0C 0 13,-1.9 13,-2.2 -2,-0.3 2,-0.4 -0.730 26.2-127.0-126.7 179.8 -5.4 23.7 15.6 49 173 A S E -H 60 0C 1 11,-0.2 35,-2.0 -2,-0.2 2,-0.7 -0.948 12.6-148.2-138.6 111.8 -1.8 22.8 16.5 50 174 A F E +HI 59 83C 0 9,-2.7 9,-1.8 -2,-0.4 2,-0.4 -0.715 32.0 171.8 -80.3 112.8 1.1 24.8 14.8 51 175 A F E -HI 58 82C 58 31,-2.1 31,-2.6 -2,-0.7 7,-0.2 -0.992 29.0-177.4-135.8 138.6 3.9 22.3 14.6 52 176 A I E >>> -H 57 0C 2 5,-2.4 3,-2.0 -2,-0.4 5,-1.3 -0.799 13.1-164.5-132.1 89.4 7.4 22.2 12.9 53 177 A P G >45S+ 0 0 67 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.722 82.4 53.4 -44.0 -40.9 9.0 18.8 13.5 54 178 A R G 345S+ 0 0 157 26,-0.4 27,-0.1 1,-0.2 25,-0.0 0.499 112.4 43.3 -82.4 -2.9 12.6 19.6 12.6 55 179 A L G <45S- 0 0 30 -3,-2.0 -1,-0.2 2,-0.2 17,-0.1 0.328 104.8-127.8-114.9 -0.2 12.9 22.6 14.9 56 180 A G T <<5 + 0 0 68 -4,-0.6 2,-0.4 -3,-0.5 -2,-0.1 0.818 62.6 140.4 54.6 35.8 11.1 20.7 17.8 57 181 A S E < +H 52 0C 15 -5,-1.3 -5,-2.4 12,-0.0 2,-0.3 -0.906 21.8 161.1-117.8 138.9 8.7 23.6 18.1 58 182 A Q E +H 51 0C 63 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.993 8.7 165.4-152.8 153.9 4.9 23.5 18.8 59 183 A I E -H 50 0C 40 -9,-1.8 -9,-2.7 -2,-0.3 2,-0.2 -0.936 29.6-120.3-168.4 141.3 1.9 25.7 20.0 60 184 A Y E -H 49 0C 110 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.515 18.1-146.2 -86.0 158.7 -1.9 25.5 19.9 61 185 A A E +H 48 0C 0 -13,-2.2 -13,-1.9 -2,-0.2 2,-0.3 -0.984 21.8 171.5-129.3 119.7 -4.2 28.0 18.3 62 186 A M > - 0 0 71 -2,-0.4 3,-1.1 -15,-0.2 -19,-0.9 -0.960 36.1-101.1-129.3 148.2 -7.6 28.8 19.8 63 187 A A T 3 S+ 0 0 31 -18,-0.6 -19,-0.1 -2,-0.3 3,-0.1 -0.305 102.3 20.2 -68.9 145.5 -10.1 31.5 18.9 64 188 A G T 3 S+ 0 0 2 -21,-0.5 2,-0.2 1,-0.2 -1,-0.2 0.138 112.9 78.9 85.7 -16.6 -10.3 34.6 21.2 65 189 A M < - 0 0 114 -3,-1.1 2,-0.4 -22,-0.1 -22,-0.3 -0.761 67.4-135.9-122.2 167.5 -6.8 34.1 22.6 66 190 A Q - 0 0 78 -2,-0.2 2,-0.2 -24,-0.1 -24,-0.2 -0.984 19.2-170.2-125.9 121.1 -3.2 34.7 21.6 67 191 A T E -E 41 0A 30 -26,-2.6 -26,-2.8 -2,-0.4 2,-0.3 -0.670 12.1-139.6-104.0 167.0 -0.5 32.1 22.2 68 192 A R E +E 40 0A 174 -2,-0.2 2,-0.3 -28,-0.2 -28,-0.2 -0.948 17.6 178.8-133.2 150.2 3.3 32.6 21.8 69 193 A L E -E 39 0A 21 -30,-1.4 -30,-2.2 -2,-0.3 2,-0.4 -0.992 7.7-163.6-147.2 143.3 6.3 30.7 20.4 70 194 A H E +E 38 0A 104 -2,-0.3 2,-0.3 -32,-0.2 -32,-0.2 -0.960 20.0 153.8-129.4 143.3 9.9 31.6 20.2 71 195 A L E -E 37 0A 17 -34,-1.4 -34,-2.2 -2,-0.4 2,-0.4 -0.987 31.9-147.6-164.3 165.7 12.6 29.9 18.1 72 196 A I - 0 0 96 -2,-0.3 2,-0.6 -36,-0.2 -39,-0.1 -0.995 20.2-140.7-137.5 129.4 15.8 30.1 16.2 73 197 A A - 0 0 0 -38,-0.5 -39,-3.2 -2,-0.4 -38,-0.3 -0.871 11.1-157.3 -91.5 122.3 16.5 28.0 13.1 74 198 A N S S+ 0 0 97 -2,-0.6 -1,-0.1 -41,-0.2 -41,-0.1 0.783 70.9 32.0 -74.6 -23.5 20.1 26.8 13.3 75 199 A E S S- 0 0 104 -3,-0.1 25,-0.2 2,-0.1 -1,-0.1 -0.973 84.8-103.0-139.2 150.6 20.6 26.3 9.6 76 200 A P S S+ 0 0 74 0, 0.0 25,-0.2 0, 0.0 2,-0.2 -0.204 71.3 77.0 -60.8 152.2 19.4 27.7 6.3 77 201 A G E S-G 100 0B 30 23,-2.7 23,-3.1 2,-0.0 2,-0.4 -0.658 80.5 -57.2 133.5 174.6 16.8 25.8 4.4 78 202 A T E -G 99 0B 58 21,-0.2 2,-0.4 -2,-0.2 21,-0.2 -0.754 40.9-161.7 -97.0 137.5 13.1 24.9 4.2 79 203 A Y E -G 98 0B 2 19,-3.1 19,-2.2 -2,-0.4 2,-0.2 -0.970 19.3-124.0-121.2 126.0 11.3 23.4 7.2 80 204 A D E -G 97 0B 96 -2,-0.4 -26,-0.4 17,-0.2 2,-0.3 -0.497 22.9-160.9 -71.3 138.1 8.0 21.6 6.9 81 205 A G E +G 96 0B 1 15,-3.3 15,-2.0 -2,-0.2 2,-0.3 -0.889 11.5 177.1-120.8 146.0 5.1 22.7 9.0 82 206 A I E -I 51 0C 51 -31,-2.6 -31,-2.1 -2,-0.3 2,-0.7 -0.887 36.2-111.1-142.3 166.3 1.9 20.7 9.8 83 207 A C E -I 50 0C 5 8,-0.4 -33,-0.2 -2,-0.3 11,-0.1 -0.935 29.8-165.7-101.3 111.7 -1.3 20.9 11.8 84 208 A A + 0 0 51 -35,-2.0 2,-0.4 -2,-0.7 -34,-0.1 0.163 61.7 66.9 -89.8 22.5 -0.9 18.3 14.6 85 209 A E S S- 0 0 48 -36,-0.2 -36,-0.2 6,-0.1 2,-0.0 -0.996 90.4-104.9-142.9 129.3 -4.5 18.1 15.8 86 210 A I + 0 0 147 -2,-0.4 -39,-0.1 1,-0.1 -2,-0.1 -0.339 47.8 159.9 -58.3 127.2 -7.5 16.6 13.9 87 211 A C - 0 0 15 1,-0.5 3,-0.2 -4,-0.1 -41,-0.1 0.050 52.6 -76.6-139.3 22.6 -9.6 19.5 12.8 88 212 A G S > S- 0 0 41 1,-0.2 3,-1.6 -77,-0.1 -1,-0.5 -0.546 79.4 -20.8 115.0-174.6 -11.8 18.3 10.0 89 213 A P T 3 S+ 0 0 95 0, 0.0 3,-0.5 0, 0.0 2,-0.3 0.798 128.5 45.4 -35.4 -62.3 -11.6 17.4 6.2 90 214 A G T 3 S+ 0 0 0 1,-0.2 46,-0.2 -3,-0.2 4,-0.2 -0.020 75.8 116.7 -84.6 33.2 -8.5 19.3 5.2 91 215 A H S X S+ 0 0 45 -3,-1.6 3,-1.9 -2,-0.3 -8,-0.4 0.982 75.0 48.8 -62.7 -55.1 -6.4 18.2 8.2 92 216 A S T 3 S+ 0 0 82 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.716 114.4 44.1 -60.5 -25.6 -3.7 16.4 6.1 93 217 A G T 3 S+ 0 0 9 -4,-0.1 2,-1.7 1,-0.1 -1,-0.3 0.265 81.3 106.2-102.2 10.8 -3.2 19.2 3.6 94 218 A M < + 0 0 0 -3,-1.9 2,-0.2 -4,-0.2 -11,-0.2 -0.488 57.0 128.7 -86.3 64.7 -3.1 21.9 6.3 95 219 A K - 0 0 115 -2,-1.7 -81,-0.4 -83,-0.2 2,-0.3 -0.633 36.8-171.9-116.9 170.9 0.7 22.3 6.0 96 220 A F E - G 0 81B 6 -15,-2.0 -15,-3.3 -2,-0.2 2,-0.4 -0.948 16.4-129.4-153.4 169.9 3.2 25.1 5.4 97 221 A K E -fG 28 80B 115 -70,-1.1 -68,-2.2 -2,-0.3 2,-0.5 -0.983 10.9-157.6-130.0 140.9 6.9 25.7 4.7 98 222 A A E -fG 29 79B 0 -19,-2.2 -19,-3.1 -2,-0.4 2,-0.6 -0.986 7.4-156.1-118.0 129.7 9.4 27.9 6.5 99 223 A I E -fG 30 78B 47 -70,-2.6 -68,-2.2 -2,-0.5 2,-0.8 -0.912 2.2-159.7-111.9 115.2 12.5 29.1 4.8 100 224 A A E -fG 31 77B 1 -23,-3.1 -23,-2.7 -2,-0.6 -67,-0.1 -0.840 22.9-146.6 -91.5 113.0 15.5 30.0 6.9 101 225 A T E -f 32 0B 11 -70,-1.4 -68,-1.8 -2,-0.8 3,-0.1 -0.340 18.4-118.4 -78.8 163.3 17.6 32.2 4.6 102 226 A P S S- 0 0 102 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.594 91.9 -7.4 -75.4 -15.6 21.4 32.5 4.6 103 227 A D S > S- 0 0 89 1,-0.1 4,-1.1 -72,-0.0 3,-0.1 -0.969 76.7 -93.8-167.1 173.7 21.3 36.1 5.5 104 228 A R H > S+ 0 0 97 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.840 116.8 60.6 -68.5 -34.2 19.0 39.1 6.0 105 229 A A H > S+ 0 0 53 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.882 104.0 50.1 -60.1 -40.7 19.4 40.4 2.4 106 230 A A H > S+ 0 0 24 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.865 111.8 49.1 -65.8 -34.6 18.0 37.1 1.1 107 231 A F H X S+ 0 0 0 -4,-1.1 4,-2.0 1,-0.2 -2,-0.2 0.893 107.6 53.9 -70.4 -40.6 15.1 37.6 3.5 108 232 A D H X S+ 0 0 77 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.704 106.0 55.1 -67.1 -19.8 14.6 41.2 2.3 109 233 A Q H X S+ 0 0 142 -4,-0.9 4,-2.6 2,-0.2 5,-0.2 0.937 104.7 50.6 -76.5 -49.0 14.4 39.7 -1.3 110 234 A W H X S+ 0 0 17 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.895 112.3 50.1 -52.8 -41.1 11.6 37.4 -0.4 111 235 A V H X S+ 0 0 11 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.917 107.4 50.9 -63.9 -48.8 9.8 40.4 1.1 112 236 A A H >X S+ 0 0 46 -4,-1.6 4,-1.1 1,-0.2 3,-0.7 0.952 108.7 53.1 -55.0 -48.2 10.3 42.6 -1.9 113 237 A K H >< S+ 0 0 106 -4,-2.6 3,-0.6 1,-0.3 -1,-0.2 0.871 107.0 53.2 -53.7 -39.6 8.8 39.8 -4.1 114 238 A A H >< S+ 0 0 0 -4,-1.6 3,-1.2 1,-0.2 -1,-0.3 0.832 104.4 54.9 -65.4 -35.5 5.8 39.8 -1.7 115 239 A K H << S+ 0 0 117 -4,-1.8 -1,-0.2 -3,-0.7 -2,-0.2 0.703 96.0 66.2 -73.7 -15.8 5.4 43.5 -2.2 116 240 A Q T << S+ 0 0 157 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.473 78.8 116.8 -82.4 -0.3 5.2 43.0 -6.0 117 241 A S < - 0 0 17 -3,-1.2 26,-0.2 1,-0.1 25,-0.1 -0.405 59.3-152.0 -71.4 140.4 1.9 41.1 -5.4 118 242 A P S S+ 0 0 116 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.657 74.7 88.8 -82.6 -20.5 -1.3 42.5 -7.0 119 243 A N - 0 0 72 22,-0.3 24,-3.0 2,-0.0 25,-0.5 -0.541 58.2-175.6 -79.1 145.5 -3.4 40.9 -4.2 120 244 A T - 0 0 66 22,-0.3 25,-0.2 -2,-0.2 3,-0.1 -0.902 26.2-151.6-133.6 166.8 -3.9 42.8 -1.0 121 245 A M B +j 145 0D 5 23,-1.2 25,-1.7 -2,-0.3 21,-0.0 -0.391 53.4 127.3-135.0 50.3 -5.6 42.0 2.2 122 246 A S + 0 0 51 23,-0.3 2,-0.3 24,-0.1 23,-0.1 0.196 60.1 41.9-100.1 19.8 -6.8 45.5 3.2 123 247 A D S >> S- 0 0 83 23,-0.1 4,-1.8 -3,-0.1 3,-1.1 -0.993 82.4-102.1-158.7 164.5 -10.5 45.1 3.8 124 248 A M H 3> S+ 0 0 74 -2,-0.3 4,-2.0 1,-0.3 5,-0.2 0.787 115.6 54.7 -56.0 -37.9 -13.2 42.9 5.4 125 249 A A H 3> S+ 0 0 55 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.714 107.3 51.5 -72.6 -22.3 -14.3 41.3 2.1 126 250 A A H <> S+ 0 0 25 -3,-1.1 4,-1.6 2,-0.1 -2,-0.2 0.953 111.1 45.8 -77.9 -50.2 -10.8 40.2 1.3 127 251 A F H X S+ 0 0 9 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.902 113.7 46.4 -59.0 -49.7 -10.2 38.4 4.6 128 252 A E H X S+ 0 0 93 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.844 109.0 55.9 -67.9 -28.7 -13.6 36.6 4.9 129 253 A K H < S+ 0 0 160 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.863 112.1 43.6 -69.6 -34.6 -13.3 35.4 1.3 130 254 A L H < S+ 0 0 23 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.853 107.3 59.8 -73.4 -41.2 -10.0 33.8 2.2 131 255 A A H < S+ 0 0 14 -4,-2.3 -120,-0.4 -5,-0.2 -2,-0.2 0.757 81.7 110.2 -59.4 -26.8 -11.3 32.5 5.4 132 256 A A S < S- 0 0 47 -4,-1.2 2,-0.1 1,-0.2 -122,-0.0 -0.178 88.8 -78.8 -54.9 141.7 -13.9 30.5 3.5 133 257 A P + 0 0 100 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.224 67.5 147.4 -48.5 110.5 -13.3 26.6 3.5 134 258 A S - 0 0 40 -123,-1.0 2,-0.3 -3,-0.2 3,-0.1 -0.898 30.7-142.4-140.0 164.2 -10.6 25.5 1.1 135 259 A E S S+ 0 0 88 -2,-0.3 -122,-0.1 1,-0.1 -41,-0.1 -0.958 71.5 11.2-133.5 150.3 -8.1 22.6 1.1 136 260 A Y S S- 0 0 134 -124,-0.5 -1,-0.1 -2,-0.3 -123,-0.1 0.837 77.6-163.4 53.6 41.6 -4.4 22.2 -0.0 137 261 A N - 0 0 32 -125,-0.5 -1,-0.2 -44,-0.1 2,-0.2 -0.231 10.7-132.3 -56.0 135.2 -4.0 26.0 -0.6 138 262 A Q - 0 0 155 1,-0.2 -1,-0.1 0, 0.0 -2,-0.0 -0.501 41.8 -73.6 -85.7 160.4 -1.0 26.9 -2.8 139 263 A V + 0 0 64 -2,-0.2 2,-0.3 -112,-0.1 -1,-0.2 -0.023 57.9 174.9 -49.0 158.5 1.4 29.6 -1.7 140 264 A E E -D 26 0A 61 -114,-0.9 -114,-1.5 -112,-0.1 2,-0.3 -0.877 16.1-157.3-172.5 135.4 0.2 33.2 -1.9 141 265 A Y E -D 25 0A 43 -2,-0.3 2,-0.4 -116,-0.2 -22,-0.3 -0.786 5.4-152.3-116.9 161.5 1.4 36.7 -1.0 142 266 A F E -D 24 0A 9 -118,-1.9 -118,-1.4 -2,-0.3 -22,-0.3 -1.000 8.4-151.0-136.1 131.3 -0.4 39.9 -0.4 143 267 A S S S+ 0 0 17 -24,-3.0 2,-0.3 -2,-0.4 -23,-0.2 0.779 81.5 26.9 -71.6 -33.8 1.3 43.3 -1.0 144 268 A N - 0 0 89 -25,-0.5 -23,-1.2 -121,-0.0 2,-0.3 -0.852 64.1-167.6-126.2 166.3 -0.8 45.2 1.6 145 269 A V B -j 121 0D 16 -2,-0.3 -23,-0.3 -25,-0.2 -128,-0.0 -0.975 37.4 -93.7-152.2 148.5 -2.5 44.2 4.8 146 270 A K > - 0 0 83 -25,-1.7 3,-1.5 -2,-0.3 -23,-0.1 -0.460 46.0-116.3 -62.6 131.7 -5.0 46.0 7.1 147 271 A P T 3 S+ 0 0 108 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.728 104.3 19.3 -42.2 -42.4 -3.0 47.8 9.8 148 272 A D T 3> S+ 0 0 112 1,-0.1 4,-2.1 2,-0.1 5,-0.2 -0.229 77.2 139.5-130.3 49.5 -4.3 45.9 12.9 149 273 A L H <> + 0 0 11 -3,-1.5 4,-2.1 2,-0.2 5,-0.1 0.799 68.4 56.2 -63.0 -35.3 -5.7 42.7 11.4 150 274 A F H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.965 112.0 41.2 -61.1 -55.9 -4.4 40.3 14.0 151 275 A A H > S+ 0 0 47 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.908 112.8 56.2 -57.6 -45.1 -6.1 42.1 16.9 152 276 A D H < S+ 0 0 61 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.895 108.3 47.6 -56.5 -41.8 -9.2 42.6 14.8 153 277 A V H >< S+ 0 0 2 -4,-2.1 3,-1.3 2,-0.2 4,-0.4 0.968 113.6 46.9 -66.1 -48.5 -9.5 38.9 14.3 154 278 A I H >X S+ 0 0 18 -4,-2.5 3,-2.7 1,-0.3 4,-1.1 0.949 106.4 56.5 -58.1 -53.1 -9.0 38.1 18.0 155 279 A N T 3< S+ 0 0 92 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.578 87.9 76.2 -62.9 -4.2 -11.4 40.6 19.3 156 280 A K T <4 S+ 0 0 103 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.780 108.3 34.6 -71.5 -25.6 -14.3 39.2 17.2 157 281 A F T <4 0 0 82 -3,-2.7 -2,-0.2 -4,-0.4 -1,-0.2 0.698 360.0 360.0 -97.9 -25.0 -14.2 36.5 19.9 158 282 A M < 0 0 162 -4,-1.1 -1,-0.1 -93,-0.0 -94,-0.0 -0.513 360.0 360.0 -69.3 360.0 -13.3 38.8 22.7