==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 22-AUG-95 1CYW . COMPND 2 MOLECULE: CYOA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.WILMANNS,P.LAPPALAINEN,M.KELLY,E.SAUER-ERIKSSON,M.SARASTE . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7557.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 71.1 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 . 38 23.9 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 . 2 1.3 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 . 15 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 13.8 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 . 2 0 1 1 3 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 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 91 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -58.4 24.6 23.6 5.3 2 126 A P - 0 0 73 0, 0.0 2,-0.4 0, 0.0 35,-0.2 -0.483 360.0-144.1 -75.0 141.3 21.9 21.0 4.5 3 127 A I E -a 37 0A 6 33,-2.9 35,-4.0 -2,-0.2 2,-0.5 -0.896 7.7-154.2-106.8 131.6 19.9 19.6 7.4 4 128 A T E -a 38 0A 34 -2,-0.4 2,-0.4 33,-0.2 16,-0.4 -0.925 13.0-178.6-107.8 129.7 18.7 16.0 7.5 5 129 A I E -a 39 0A 0 33,-2.9 35,-2.6 -2,-0.5 2,-0.5 -0.986 15.2-150.2-130.4 132.2 15.6 15.0 9.5 6 130 A E E -aB 40 17A 13 11,-2.7 11,-2.8 -2,-0.4 2,-0.4 -0.932 16.3-158.4-104.2 126.0 14.3 11.4 9.8 7 131 A V E +aB 41 16A 0 33,-3.6 35,-1.7 -2,-0.5 2,-0.4 -0.875 14.7 178.6-111.7 141.2 10.5 11.1 10.3 8 132 A V E -aB 42 15A 0 7,-2.3 7,-2.2 -2,-0.4 2,-0.9 -0.951 20.4-145.8-142.4 112.4 8.5 8.2 11.7 9 133 A S E -aB 43 14A 1 33,-1.5 35,-1.5 -2,-0.4 5,-0.2 -0.697 24.7-173.9 -85.0 108.5 4.8 8.5 12.1 10 134 A M E > - B 0 13A 1 3,-1.9 2,-1.4 -2,-0.9 3,-0.9 -0.311 48.1 -59.8 -90.7 177.9 3.9 6.6 15.2 11 135 A D T 3 S- 0 0 45 120,-0.6 123,-1.5 1,-0.2 -1,-0.1 -0.523 119.8 -19.3 -71.1 95.5 0.5 5.9 16.4 12 136 A W T 3 S+ 0 0 57 -2,-1.4 125,-0.6 1,-0.2 2,-0.3 0.502 127.9 59.8 84.9 23.6 -1.0 9.4 16.8 13 137 A K E < S-B 10 0A 0 -3,-0.9 -3,-1.9 81,-0.2 2,-0.4 -0.958 75.4-116.2-163.3 163.1 2.2 11.4 17.0 14 138 A W E -B 9 0A 0 81,-0.3 13,-2.3 -2,-0.3 2,-0.4 -0.917 20.1-158.7-112.2 139.3 5.3 12.2 14.9 15 139 A F E -BC 8 26A 0 -7,-2.2 -7,-2.3 -2,-0.4 2,-0.4 -0.943 10.0-165.4-119.2 134.1 8.8 11.2 15.9 16 140 A F E -BC 7 25A 0 9,-3.1 9,-2.6 -2,-0.4 2,-0.4 -0.968 4.4-160.9-125.4 139.8 11.7 13.1 14.5 17 141 A I E -BC 6 24A 4 -11,-2.8 -11,-2.7 -2,-0.4 7,-0.3 -0.951 11.0-157.2-124.0 136.5 15.4 12.2 14.4 18 142 A Y E >> - C 0 23A 0 5,-3.4 4,-2.7 -2,-0.4 5,-0.8 -0.774 13.1-175.5-109.2 83.2 18.4 14.4 13.8 19 143 A P T 45S+ 0 0 35 0, 0.0 -1,-0.2 0, 0.0 -14,-0.1 0.851 81.9 41.6 -47.6 -45.3 21.1 12.0 12.7 20 144 A E T 45S+ 0 0 127 -16,-0.4 -15,-0.1 1,-0.2 -2,-0.1 0.856 119.1 42.5 -77.2 -33.2 23.8 14.6 12.5 21 145 A Q T 45S- 0 0 61 -3,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.689 103.1-125.7 -85.7 -21.8 23.0 16.5 15.6 22 146 A G T <5 + 0 0 20 -4,-2.7 123,-0.3 1,-0.3 2,-0.2 0.593 69.5 109.1 89.2 9.6 22.3 13.5 17.8 23 147 A I E < -C 18 0A 0 -5,-0.8 -5,-3.4 121,-0.1 -1,-0.3 -0.665 44.8-164.2-113.4 173.8 18.8 14.5 19.0 24 148 A A E -CD 17 142A 0 118,-1.2 118,-1.5 -7,-0.3 2,-0.3 -0.948 10.6-173.4-149.0 155.8 15.3 13.3 18.4 25 149 A T E -CD 16 141A 0 -9,-2.6 -9,-3.1 -2,-0.3 2,-0.4 -0.900 19.8-126.3-147.0 173.5 11.9 15.1 19.2 26 150 A V E S-CD 15 140A 0 114,-1.4 114,-0.8 -2,-0.3 -11,-0.2 -0.999 84.5 -11.3-129.7 131.1 8.2 14.4 19.1 27 151 A N S S+ 0 0 11 -13,-2.3 70,-0.7 -2,-0.4 2,-0.2 0.712 117.7 79.3 53.5 27.2 5.7 16.7 17.3 28 152 A E E +f 97 0B 30 68,-0.2 2,-0.3 -14,-0.2 70,-0.2 -0.787 46.9 173.3-166.9 127.6 8.2 19.4 16.7 29 153 A I E -f 98 0B 0 68,-3.0 70,-3.1 -2,-0.2 2,-0.3 -0.911 7.9-167.7-129.7 154.5 11.0 20.2 14.3 30 154 A A E +f 99 0B 0 -2,-0.3 70,-0.2 68,-0.2 48,-0.0 -0.952 13.4 157.0-139.4 155.5 13.2 23.3 13.7 31 155 A F E -f 100 0B 0 68,-2.3 70,-2.0 -2,-0.3 2,-0.2 -0.941 46.6 -88.5-169.4 153.6 15.6 24.3 11.0 32 156 A P E > -f 101 0B 1 0, 0.0 3,-0.7 0, 0.0 41,-0.3 -0.556 45.8-113.8 -74.0 144.3 17.0 27.6 9.8 33 157 A A T 3 S+ 0 0 8 68,-3.0 41,-0.2 1,-0.2 42,-0.1 -0.174 99.7 32.2 -64.6 169.5 15.0 29.4 7.0 34 158 A N T 3 S+ 0 0 107 39,-4.0 -1,-0.2 1,-0.2 40,-0.1 0.733 99.4 114.7 47.9 30.4 16.6 29.7 3.6 35 159 A T S < S- 0 0 12 -3,-0.7 2,-0.6 38,-0.4 38,-0.5 -0.934 75.7-106.7-128.1 145.4 18.3 26.4 4.2 36 160 A P E - E 0 72A 43 0, 0.0 -33,-2.9 0, 0.0 2,-0.5 -0.639 34.9-165.1 -73.5 113.5 18.0 23.0 2.4 37 161 A V E -aE 3 71A 0 34,-3.2 34,-2.6 -2,-0.6 2,-0.6 -0.885 3.3-156.6-101.5 131.2 16.1 20.6 4.8 38 162 A Y E -aE 4 70A 88 -35,-4.0 -33,-2.9 -2,-0.5 2,-0.4 -0.912 7.1-163.9-114.3 106.3 16.3 16.9 3.8 39 163 A F E -aE 5 69A 1 30,-2.5 30,-1.7 -2,-0.6 2,-0.6 -0.759 11.5-168.9 -94.7 130.6 13.5 14.6 5.1 40 164 A K E -aE 6 68A 58 -35,-2.6 -33,-3.6 -2,-0.4 2,-0.4 -0.979 24.4-166.0-110.2 121.0 13.7 10.8 5.2 41 165 A V E +aE 7 67A 0 26,-2.4 26,-2.4 -2,-0.6 2,-0.3 -0.919 19.1 152.6-118.9 140.7 10.2 9.6 5.9 42 166 A T E -a 8 0A 0 -35,-1.7 -33,-1.5 -2,-0.4 2,-0.3 -0.969 30.6-127.0-155.9 161.7 8.8 6.2 7.0 43 167 A S E -a 9 0A 0 19,-0.6 21,-0.5 22,-0.3 -33,-0.1 -0.798 9.2-167.2-113.8 156.2 5.8 4.8 9.0 44 168 A N S S+ 0 0 22 -35,-1.5 2,-0.2 -2,-0.3 -33,-0.1 0.034 86.0 18.1-125.6 18.5 5.8 2.4 11.9 45 169 A S S S- 0 0 35 1,-0.5 18,-0.5 -36,-0.2 -2,-0.1 -0.552 117.7 -13.7-157.3-145.6 2.0 1.9 11.5 46 170 A V S S- 0 0 75 -2,-0.2 -1,-0.5 1,-0.2 -2,-0.2 -0.130 87.4 -79.0 -64.7 166.1 -0.5 2.5 8.8 47 171 A M + 0 0 88 15,-0.1 2,-0.2 -4,-0.1 15,-0.2 -0.421 60.1 178.9 -66.6 147.8 0.4 4.7 5.8 48 172 A N E -H 61 0C 9 13,-2.4 13,-2.1 -3,-0.1 2,-0.4 -0.791 27.8-110.3-137.5-173.8 0.3 8.4 6.6 49 173 A S E -H 60 0C 22 11,-0.2 2,-1.2 -2,-0.2 11,-0.2 -0.984 10.5-153.4-130.7 115.3 0.9 11.8 5.0 50 174 A F E +H 59 0C 0 9,-3.5 9,-0.9 -2,-0.4 2,-0.5 -0.794 37.5 173.7 -85.9 95.4 3.8 14.1 6.1 51 175 A F E +HI 58 82C 65 31,-1.6 31,-2.6 -2,-1.2 7,-0.2 -0.930 31.4 170.3-120.8 121.0 2.1 17.4 5.1 52 176 A I E > > -H 57 0C 0 5,-3.2 5,-1.9 -2,-0.5 3,-1.9 -0.812 14.3-172.9-124.5 84.6 3.1 21.0 5.6 53 177 A P G > 5S+ 0 0 48 0, 0.0 3,-2.2 0, 0.0 -1,-0.2 0.858 80.1 57.4 -41.0 -55.7 0.5 23.0 3.5 54 178 A R G 3 5S+ 0 0 205 26,-0.4 27,-0.1 1,-0.3 -2,-0.0 0.693 113.8 40.8 -56.1 -23.0 2.1 26.4 3.9 55 179 A L G < 5S- 0 0 40 -3,-1.9 -1,-0.3 2,-0.1 17,-0.2 0.361 108.8-123.2-109.7 8.2 5.3 25.0 2.5 56 180 A G T < 5 + 0 0 70 -3,-2.2 2,-0.6 -4,-0.3 -2,-0.1 0.830 63.4 145.4 53.0 36.2 3.5 22.9 -0.2 57 181 A S E < +H 52 0C 10 -5,-1.9 -5,-3.2 12,-0.0 2,-0.4 -0.911 14.8 155.9-112.6 113.1 5.3 19.9 1.2 58 182 A Q E +H 51 0C 93 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.989 4.3 162.4-136.7 138.7 3.5 16.5 1.2 59 183 A I E -H 50 0C 26 -9,-0.9 -9,-3.5 -2,-0.4 2,-0.1 -0.920 33.3-121.1-155.4 131.6 5.1 13.1 1.3 60 184 A Y E -H 49 0C 89 -2,-0.3 2,-0.5 -11,-0.2 -11,-0.2 -0.378 17.5-146.8 -74.2 156.1 3.6 9.7 2.2 61 185 A A E +H 48 0C 0 -13,-2.1 -13,-2.4 -2,-0.1 2,-0.4 -0.996 22.4 173.9-126.1 124.0 5.0 7.6 5.0 62 186 A M B > -J 65 0D 68 3,-0.7 3,-1.5 -2,-0.5 -19,-0.6 -0.999 34.5-109.1-137.5 139.0 4.8 3.9 4.6 63 187 A A T 3 S+ 0 0 29 -18,-0.5 -19,-0.1 -2,-0.4 91,-0.1 -0.298 104.5 20.1 -62.2 141.1 6.2 1.0 6.7 64 188 A G T 3 S+ 0 0 23 -21,-0.5 2,-0.4 89,-0.1 -1,-0.3 0.305 114.1 85.1 81.6 -15.3 9.1 -0.8 5.1 65 189 A M B < -J 62 0D 73 -3,-1.5 -3,-0.7 -22,-0.1 2,-0.6 -0.972 63.9-146.1-132.5 141.0 9.8 2.1 2.8 66 190 A Q - 0 0 57 -2,-0.4 -24,-0.2 -24,-0.1 2,-0.2 -0.892 18.6-172.9 -99.5 113.4 11.8 5.3 2.9 67 191 A T E -E 41 0A 11 -26,-2.4 -26,-2.4 -2,-0.6 2,-0.4 -0.520 11.5-143.6 -95.9 165.9 10.4 8.3 1.0 68 192 A R E -E 40 0A 139 -28,-0.2 2,-0.4 -2,-0.2 -28,-0.2 -0.997 15.5-176.8-137.3 143.7 12.2 11.7 0.6 69 193 A L E -E 39 0A 20 -30,-1.7 -30,-2.5 -2,-0.4 2,-0.5 -1.000 12.3-153.6-138.4 131.6 11.2 15.3 0.5 70 194 A H E -E 38 0A 116 -2,-0.4 2,-0.4 -32,-0.2 -32,-0.2 -0.921 22.1-177.6-109.4 131.2 13.5 18.3 -0.1 71 195 A L E -E 37 0A 5 -34,-2.6 -34,-3.2 -2,-0.5 2,-0.4 -0.987 22.8-172.3-137.1 145.0 12.4 21.6 1.4 72 196 A I E -E 36 0A 90 -2,-0.4 2,-0.5 -36,-0.2 -39,-0.1 -0.998 11.6-159.1-130.0 127.5 13.4 25.2 1.6 73 197 A A - 0 0 1 -38,-0.5 -39,-4.0 -2,-0.4 -38,-0.4 -0.935 9.1-176.4-102.7 128.4 11.6 27.6 3.9 74 198 A N + 0 0 110 -2,-0.5 -1,-0.1 -41,-0.2 -41,-0.1 0.824 66.2 50.9 -96.2 -35.5 12.2 31.2 2.6 75 199 A E S S- 0 0 139 -42,-0.1 -1,-0.1 1,-0.1 -41,-0.1 -0.752 88.6-118.5-101.5 138.2 10.4 33.2 5.3 76 200 A P + 0 0 38 0, 0.0 2,-0.3 0, 0.0 25,-0.2 -0.366 62.2 91.8 -68.6 162.3 11.1 32.6 9.0 77 201 A G E S-G 100 0B 29 23,-2.5 23,-3.1 2,-0.1 2,-0.5 -0.905 74.3 -71.0 145.8-175.2 8.3 31.4 11.2 78 202 A T E -G 99 0B 86 -2,-0.3 2,-0.3 21,-0.3 21,-0.2 -0.954 42.2-166.8-125.0 110.7 6.4 28.5 12.6 79 203 A Y E -G 98 0B 30 19,-2.8 19,-3.5 -2,-0.5 2,-0.2 -0.745 19.4-122.2 -97.2 142.5 4.3 26.4 10.2 80 204 A D E -G 97 0B 97 -2,-0.3 2,-0.4 17,-0.2 -26,-0.4 -0.587 19.9-154.5 -83.7 147.0 1.8 23.9 11.2 81 205 A G E -G 96 0B 1 15,-2.5 15,-2.1 -2,-0.2 2,-0.2 -0.963 10.9-172.2-122.5 135.2 2.1 20.3 10.0 82 206 A I B -I 51 0C 65 -31,-2.6 -31,-1.6 -2,-0.4 2,-0.2 -0.738 9.6-143.5-118.8 171.4 -0.9 18.0 9.7 83 207 A S - 0 0 17 -2,-0.2 -33,-0.1 8,-0.2 2,-0.1 -0.468 48.0 -42.5-120.6-163.2 -1.2 14.3 9.0 84 208 A A - 0 0 17 -2,-0.2 2,-1.6 1,-0.1 -1,-0.2 -0.340 52.0-125.3 -68.6 144.2 -3.6 12.1 7.0 85 209 A S + 0 0 119 -3,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.315 47.9 157.7 -87.8 56.2 -7.3 12.9 7.5 86 210 A Y - 0 0 93 -2,-1.6 6,-0.1 1,-0.1 -3,-0.1 -0.528 48.0-127.7 -74.8 150.1 -8.4 9.5 8.5 87 211 A S S S+ 0 0 129 -2,-0.2 -1,-0.1 4,-0.1 5,-0.1 0.593 73.5 113.4 -75.2 -9.8 -11.7 9.6 10.4 88 212 A G S >> S- 0 0 22 1,-0.1 3,-1.3 2,-0.1 4,-0.7 -0.315 75.4-105.4 -70.2 144.5 -10.2 7.6 13.3 89 213 A P T 34 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.365 106.0 37.8 -63.9 142.1 -9.6 9.0 16.8 90 214 A G T 34 S+ 0 0 2 -78,-0.1 3,-0.4 -2,-0.0 46,-0.3 -0.185 99.8 77.2 105.8 -39.4 -6.0 9.7 17.5 91 215 A F T X4 S+ 0 0 33 -3,-1.3 3,-2.3 1,-0.2 -8,-0.2 0.913 84.8 66.0 -68.5 -35.6 -5.3 10.9 14.0 92 216 A S T 3< S+ 0 0 66 -4,-0.7 -1,-0.2 1,-0.3 -9,-0.1 0.798 104.0 42.7 -54.8 -34.8 -7.0 14.2 15.0 93 217 A G T 3 S+ 0 0 9 -3,-0.4 2,-1.9 1,-0.1 -1,-0.3 0.323 83.5 110.3 -97.4 11.1 -4.3 15.1 17.5 94 218 A M < + 0 0 1 -3,-2.3 2,-0.3 -10,-0.1 -11,-0.2 -0.458 47.1 128.5 -84.3 64.4 -1.6 14.0 15.1 95 219 A K - 0 0 130 -2,-1.9 -81,-0.3 -83,-0.2 2,-0.3 -0.790 34.2-171.4-115.9 162.2 -0.2 17.5 14.4 96 220 A F E - G 0 81B 5 -15,-2.1 -15,-2.5 -2,-0.3 2,-0.4 -0.904 19.0-113.5-144.0 175.0 3.3 18.8 14.6 97 221 A K E -fG 28 80B 86 -70,-0.7 -68,-3.0 -2,-0.3 2,-0.7 -0.950 10.1-156.2-123.1 135.3 5.2 22.1 14.4 98 222 A A E -fG 29 79B 0 -19,-3.5 -19,-2.8 -2,-0.4 2,-1.1 -0.828 9.4-169.4-110.7 99.0 7.7 23.5 11.8 99 223 A I E -fG 30 78B 39 -70,-3.1 -68,-2.3 -2,-0.7 2,-1.4 -0.720 3.9-173.7 -87.7 98.0 10.0 26.1 13.3 100 224 A A E -fG 31 77B 0 -23,-3.1 -23,-2.5 -2,-1.1 -67,-0.1 -0.757 26.8-147.6 -90.2 90.2 11.8 27.7 10.3 101 225 A T E -f 32 0B 9 -70,-2.0 -68,-3.0 -2,-1.4 6,-0.1 -0.239 19.4-109.2 -60.7 152.2 14.1 29.9 12.6 102 226 A P S S- 0 0 98 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.662 92.2 -18.6 -51.8 -28.8 15.3 33.3 11.5 103 227 A D S > S- 0 0 83 1,-0.1 4,-0.9 -72,-0.1 3,-0.1 -0.946 77.0 -84.6-165.3-176.6 18.9 32.0 11.1 104 228 A R H > S+ 0 0 103 -2,-0.3 4,-3.2 2,-0.2 5,-0.2 0.850 115.5 63.2 -73.9 -35.4 21.3 29.2 12.0 105 229 A A H > S+ 0 0 53 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.865 104.8 50.7 -56.4 -35.4 22.4 30.6 15.4 106 230 A A H > S+ 0 0 25 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.899 110.7 48.5 -69.5 -36.2 18.8 30.2 16.5 107 231 A F H >X S+ 0 0 8 -4,-0.9 4,-1.9 2,-0.2 3,-0.6 0.967 108.3 53.0 -66.5 -53.3 18.8 26.6 15.2 108 232 A D H 3X S+ 0 0 91 -4,-3.2 4,-2.2 1,-0.3 3,-0.2 0.895 108.7 52.3 -47.9 -44.9 22.1 25.8 17.0 109 233 A Q H 3X S+ 0 0 140 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.3 0.866 104.7 53.9 -63.2 -36.8 20.4 27.1 20.1 110 234 A W H X S+ 0 0 19 -4,-1.9 4,-3.0 -3,-0.2 3,-1.6 0.986 108.2 52.4 -62.4 -54.1 19.7 21.8 19.4 112 236 A A H 3X S+ 0 0 49 -4,-2.2 4,-0.7 1,-0.3 -2,-0.2 0.814 105.7 52.7 -49.7 -42.7 21.3 23.0 22.7 113 237 A K H 3< S+ 0 0 120 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.788 113.7 45.9 -65.2 -27.3 17.9 23.2 24.4 114 238 A A H X< S+ 0 0 0 -3,-1.6 3,-2.7 -4,-1.0 -2,-0.2 0.893 103.9 58.8 -80.5 -47.3 17.4 19.6 23.3 115 239 A K H 3< S+ 0 0 93 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.692 100.0 63.0 -58.4 -13.7 20.8 18.3 24.3 116 240 A Q T 3< S+ 0 0 162 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.422 76.9 111.6 -91.3 -0.1 19.7 19.5 27.8 117 241 A S < - 0 0 15 -3,-2.7 26,-0.3 1,-0.1 25,-0.0 -0.491 61.5-146.6 -74.1 143.9 16.8 17.0 28.1 118 242 A P S S+ 0 0 127 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.837 76.2 83.0 -76.8 -34.4 17.3 14.2 30.7 119 243 A N - 0 0 54 22,-0.2 24,-0.8 1,-0.0 25,-0.3 -0.594 64.2-166.3 -77.8 125.9 15.3 11.7 28.6 120 244 A T - 0 0 58 -2,-0.4 2,-0.2 22,-0.2 25,-0.2 -0.568 29.1-143.0-110.5 173.8 17.1 9.7 25.8 121 245 A M B +k 145 0E 4 23,-3.3 25,-2.0 -2,-0.2 28,-0.1 -0.666 46.8 142.0-132.5 69.2 16.3 7.5 22.8 122 246 A S + 0 0 52 23,-0.3 2,-0.3 -2,-0.2 23,-0.1 0.603 59.8 13.3 -91.1 -18.0 19.3 5.1 23.1 123 247 A D S >> S- 0 0 75 -3,-0.1 4,-1.7 23,-0.1 3,-0.6 -0.976 76.7 -97.4-152.4 173.9 17.8 1.7 22.1 124 248 A M H 3> S+ 0 0 46 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.720 116.6 60.8 -67.8 -23.3 14.8 -0.1 20.5 125 249 A A H 3> S+ 0 0 75 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.895 106.8 46.9 -69.6 -37.6 13.2 -0.9 23.8 126 250 A A H <> S+ 0 0 17 -3,-0.6 4,-2.1 1,-0.2 -2,-0.2 0.889 110.5 56.7 -68.7 -36.6 13.0 2.9 24.4 127 251 A F H X S+ 0 0 0 -4,-1.7 4,-3.1 1,-0.2 -2,-0.2 0.899 106.3 44.9 -61.3 -50.1 11.6 3.1 20.9 128 252 A E H X S+ 0 0 83 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.819 109.3 58.6 -67.9 -25.6 8.7 0.7 21.3 129 253 A K H >< S+ 0 0 167 -4,-1.4 3,-1.0 2,-0.2 -2,-0.2 0.963 113.0 38.0 -65.1 -51.4 7.9 2.4 24.7 130 254 A L H 3< S+ 0 0 24 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.959 111.4 61.9 -62.4 -47.0 7.4 5.7 22.9 131 255 A A H 3< S+ 0 0 12 -4,-3.1 -120,-0.6 -5,-0.2 -1,-0.2 0.576 79.7 112.9 -55.2 -17.7 5.8 3.9 20.0 132 256 A A S << S- 0 0 51 -3,-1.0 -122,-0.0 -4,-0.7 -3,-0.0 -0.316 88.9 -74.6 -61.6 142.4 3.0 2.6 22.2 133 257 A P + 0 0 99 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.085 67.3 158.2 -43.1 113.2 -0.5 4.0 21.4 134 258 A S - 0 0 30 -123,-1.5 3,-0.3 -3,-0.1 2,-0.2 -0.984 25.6-151.5-147.5 127.3 -0.7 7.6 22.7 135 259 A E S S+ 0 0 93 -2,-0.3 -122,-0.1 1,-0.2 -44,-0.1 -0.640 73.9 9.6 -95.3 156.0 -3.1 10.5 21.7 136 260 A Y S S- 0 0 162 -46,-0.3 2,-0.3 -124,-0.3 -1,-0.2 0.910 81.4-164.7 38.1 65.8 -2.4 14.3 21.8 137 261 A N - 0 0 31 -125,-0.6 -1,-0.2 -3,-0.3 2,-0.1 -0.610 9.4-132.5 -80.1 140.2 1.3 13.8 22.5 138 262 A Q - 0 0 77 -2,-0.3 -1,-0.1 1,-0.2 -112,-0.0 -0.428 35.1 -81.5 -87.0 163.6 3.2 16.9 23.8 139 263 A V + 0 0 63 -112,-0.1 2,-0.3 -2,-0.1 -112,-0.2 -0.278 54.9 175.3 -62.3 149.2 6.5 18.1 22.4 140 264 A E E -D 26 0A 68 -114,-0.8 -114,-1.4 -112,-0.1 2,-0.3 -0.975 17.4-150.0-157.5 147.0 9.5 16.2 23.9 141 265 A Y E -D 25 0A 35 -2,-0.3 2,-0.4 -116,-0.2 -116,-0.2 -0.825 0.3-158.6-120.5 161.0 13.2 16.2 23.3 142 266 A F E -D 24 0A 8 -118,-1.5 -118,-1.2 -2,-0.3 -22,-0.2 -0.980 8.0-156.0-143.0 120.3 15.8 13.5 23.6 143 267 A S S S+ 0 0 20 -24,-0.8 2,-0.3 -2,-0.4 -23,-0.2 0.490 79.5 37.0 -76.5 -4.9 19.5 14.5 24.1 144 268 A N - 0 0 66 -25,-0.3 -23,-3.3 -120,-0.1 2,-0.3 -0.991 62.5-176.3-152.1 142.8 20.7 11.2 22.7 145 269 A V B -k 121 0E 17 -2,-0.3 -23,-0.3 -123,-0.3 -128,-0.0 -0.989 37.0-100.7-142.2 147.2 19.7 8.7 20.0 146 270 A K > - 0 0 61 -25,-2.0 3,-1.8 -2,-0.3 -23,-0.1 -0.530 44.0-119.1 -66.7 125.3 20.9 5.3 18.8 147 271 A P T 3 S+ 0 0 110 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.721 102.4 22.1 -32.7 -58.3 23.0 6.0 15.6 148 272 A D T 3> S+ 0 0 107 1,-0.1 4,-2.3 2,-0.1 5,-0.2 -0.145 76.5 136.0-114.4 43.5 21.0 4.1 12.9 149 273 A L H <> S+ 0 0 2 -3,-1.8 4,-1.1 1,-0.2 -1,-0.1 0.753 70.6 56.9 -60.0 -28.2 17.5 4.0 14.6 150 274 A F H >> S+ 0 0 5 -3,-0.2 4,-1.7 2,-0.2 3,-0.7 0.969 109.0 45.9 -66.8 -50.4 15.7 5.0 11.3 151 275 A A H 3> S+ 0 0 32 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.926 108.4 56.4 -55.4 -49.9 17.3 2.0 9.5 152 276 A D H 3< S+ 0 0 48 -4,-2.3 4,-0.4 1,-0.2 -1,-0.3 0.798 106.4 51.8 -52.3 -34.7 16.4 -0.3 12.4 153 277 A V H X< S+ 0 0 0 -4,-1.1 3,-1.0 -3,-0.7 4,-0.4 0.912 107.8 48.7 -74.1 -43.6 12.8 0.7 12.1 154 278 A I H >< S+ 0 0 22 -4,-1.7 3,-2.1 1,-0.2 -2,-0.2 0.916 103.6 61.9 -61.1 -44.5 12.4 0.0 8.4 155 279 A N G >< S+ 0 0 97 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.656 88.2 73.2 -55.9 -17.8 14.0 -3.5 8.8 156 280 A K G < S+ 0 0 81 -3,-1.0 -1,-0.3 -4,-0.4 3,-0.2 0.844 104.0 38.9 -67.8 -27.9 11.1 -4.4 11.1 157 281 A F G < S+ 0 0 88 -3,-2.1 -1,-0.2 -4,-0.4 -2,-0.2 -0.023 81.6 122.4-114.4 36.8 8.9 -4.6 8.0 158 282 A M < 0 0 123 -3,-1.1 -1,-0.1 -93,-0.0 -2,-0.1 0.767 360.0 360.0 -73.7 -31.1 11.2 -6.2 5.4 159 283 A A 0 0 156 -3,-0.2 -3,-0.0 -4,-0.2 0, 0.0 -0.068 360.0 360.0-137.1 360.0 9.7 -9.4 4.1