==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 17-MAY-13 4KSR . COMPND 2 MOLECULE: TYPE II SECRETION SYSTEM PROTEIN E, HEMOLYSIN-COR . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE O1, PSEUDOMONAS AERUGI . AUTHOR W.G.HOL,S.TURLEY,C.Y.LU,Y.J.PARK,S.T.MARIONNI,K.LEE,M.PATRIC . 1563 18 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 74248.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1093 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 364 23.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 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 . 3 0.2 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 . 148 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 348 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 1.9 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 6 0 0 6 6 0 3 15 6 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 6 3 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 PARALLEL BRIDGES PER LADDER . 11 12 1 9 3 13 5 3 0 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 7 0 1 0 0 0 1 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 1 121 A A > 0 0 88 0, 0.0 4,-1.2 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 162.2 5.1 52.0 -18.4 2 122 A P H > + 0 0 113 0, 0.0 4,-1.3 0, 0.0 0, 0.0 0.812 360.0 55.6 -59.5 -32.3 2.8 53.3 -21.2 3 123 A I H > S+ 0 0 31 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.811 100.2 58.7 -72.6 -31.6 0.2 50.7 -20.2 4 124 A I H > S+ 0 0 65 -3,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.902 108.3 45.4 -64.4 -42.1 0.1 51.9 -16.6 5 125 A K H X S+ 0 0 162 -4,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.830 108.5 57.6 -68.4 -34.1 -0.9 55.4 -17.7 6 126 A L H X S+ 0 0 71 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.891 108.3 44.5 -66.5 -42.0 -3.6 54.1 -20.1 7 127 A I H X S+ 0 0 1 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.867 114.9 49.5 -70.0 -38.1 -5.5 52.1 -17.4 8 128 A N H X S+ 0 0 82 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.884 112.9 46.2 -67.2 -40.8 -5.3 55.1 -15.0 9 129 A A H X S+ 0 0 63 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.817 110.4 54.5 -70.3 -32.8 -6.5 57.6 -17.6 10 130 A M H X S+ 0 0 26 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.887 107.9 49.0 -66.3 -41.5 -9.3 55.1 -18.6 11 131 A L H X S+ 0 0 6 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.849 111.3 50.1 -65.8 -36.4 -10.5 55.0 -15.0 12 132 A G H X S+ 0 0 41 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.848 111.2 48.7 -67.0 -36.7 -10.4 58.8 -14.9 13 133 A E H X S+ 0 0 75 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.787 108.8 54.1 -71.8 -30.4 -12.4 58.8 -18.1 14 134 A A H X>S+ 0 0 0 -4,-1.8 5,-3.6 2,-0.2 4,-0.9 0.882 111.7 43.5 -69.2 -40.4 -14.9 56.3 -16.5 15 135 A I H <5S+ 0 0 92 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.827 112.2 55.9 -72.9 -34.2 -15.4 58.6 -13.5 16 136 A K H <5S+ 0 0 157 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.968 113.2 38.3 -57.9 -57.2 -15.6 61.6 -15.9 17 137 A E H <5S- 0 0 65 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.635 116.9-112.8 -73.2 -15.1 -18.5 60.1 -18.0 18 138 A G T <5 + 0 0 37 -4,-0.9 20,-0.5 1,-0.2 2,-0.2 0.882 51.0 176.6 83.5 43.6 -20.1 58.6 -14.9 19 139 A A E < -A 37 0A 10 -5,-3.6 18,-0.2 18,-0.2 -1,-0.2 -0.565 24.8-169.9 -82.5 142.2 -19.6 55.0 -15.7 20 140 A S E S+ 0 0 42 16,-1.2 82,-4.1 1,-0.3 2,-0.3 0.837 76.0 25.6 -92.5 -47.3 -20.6 52.2 -13.2 21 141 A D E - B 0 101A 14 15,-0.5 15,-1.9 80,-0.2 2,-0.4 -0.898 63.8-152.5-118.8 147.6 -18.9 49.3 -15.0 22 142 A I E -AB 35 100A 0 78,-0.9 78,-1.5 -2,-0.3 2,-0.6 -0.989 13.9-157.9-116.3 130.7 -15.9 49.1 -17.3 23 143 A H E -AB 34 99A 0 11,-3.7 11,-2.1 -2,-0.4 2,-0.7 -0.910 11.4-177.1-117.4 106.5 -15.8 46.2 -19.8 24 144 A I E +AB 33 98A 1 74,-2.8 74,-2.2 -2,-0.6 2,-0.4 -0.912 17.2 174.5 -99.6 114.4 -12.6 45.0 -21.3 25 145 A E E -A 32 0A 6 7,-2.4 7,-2.6 -2,-0.7 2,-0.5 -0.984 19.9-152.0-130.6 130.7 -13.4 42.2 -23.8 26 146 A T E +A 31 0A 12 -2,-0.4 68,-0.4 70,-0.3 5,-0.2 -0.887 16.8 177.4-106.8 122.8 -11.0 40.4 -26.2 27 147 A F - 0 0 13 3,-2.5 672,-0.1 -2,-0.5 675,-0.0 -0.444 45.9 -92.2-106.5-174.5 -12.3 38.9 -29.4 28 148 A E S S+ 0 0 105 -2,-0.2 3,-0.1 1,-0.1 -1,-0.0 0.946 119.3 12.2 -65.7 -50.4 -10.4 37.0 -32.2 29 149 A K S S+ 0 0 159 1,-0.1 20,-0.3 20,-0.0 2,-0.3 0.825 126.6 42.5 -96.7 -39.6 -9.7 40.1 -34.4 30 150 A T - 0 0 67 18,-0.1 -3,-2.5 19,-0.1 2,-0.5 -0.808 58.1-146.0-119.9 152.2 -10.6 43.1 -32.2 31 151 A L E -A 26 0A 0 16,-0.8 2,-0.4 -2,-0.3 -5,-0.2 -0.971 26.8-163.2-111.3 129.2 -10.1 44.3 -28.6 32 152 A S E -A 25 0A 20 -7,-2.6 -7,-2.4 -2,-0.5 2,-0.5 -0.939 15.1-162.4-123.5 135.5 -13.1 46.4 -27.2 33 153 A I E +AC 24 45A 4 12,-2.3 11,-1.8 -2,-0.4 12,-1.1 -0.962 19.8 175.2-110.8 130.3 -13.5 48.7 -24.3 34 154 A R E -AC 23 43A 13 -11,-2.1 -11,-3.7 -2,-0.5 2,-0.4 -0.999 17.6-156.6-138.8 136.0 -17.0 49.5 -23.1 35 155 A F E -AC 22 42A 2 7,-1.4 7,-1.5 -2,-0.4 2,-0.8 -0.856 15.8-142.0-103.4 145.9 -18.5 51.5 -20.2 36 156 A R E > - C 0 41A 13 -15,-1.9 -16,-1.2 -2,-0.4 3,-0.9 -0.696 27.1-173.9-100.4 75.2 -22.0 50.9 -18.9 37 157 A V E > S-AC 19 40A 8 3,-0.9 3,-0.9 -2,-0.8 -18,-0.2 -0.634 73.3 -17.9 -75.2 107.3 -22.7 54.6 -18.2 38 158 A D T 3 S- 0 0 136 -2,-0.8 -1,-0.3 -20,-0.5 -19,-0.1 0.950 128.4 -50.9 57.4 55.4 -26.1 54.6 -16.4 39 159 A G T < S+ 0 0 51 -3,-0.9 2,-0.5 1,-0.1 -1,-0.2 0.401 116.2 108.6 72.1 -2.1 -27.2 51.1 -17.4 40 160 A V E < -C 37 0A 83 -3,-0.9 -3,-0.9 645,-0.0 -1,-0.1 -0.939 67.6-131.0-113.7 118.6 -26.5 51.7 -21.1 41 161 A L E -C 36 0A 10 -2,-0.5 2,-0.3 643,-0.4 -5,-0.2 -0.374 29.6-169.8 -67.0 146.1 -23.5 50.0 -22.8 42 162 A R E -C 35 0A 105 -7,-1.5 -7,-1.4 -2,-0.1 2,-0.4 -0.997 25.4-125.2-148.0 130.9 -21.3 52.3 -24.8 43 163 A E E +C 34 0A 147 -2,-0.3 -9,-0.2 -9,-0.2 3,-0.1 -0.660 37.5 159.0 -75.5 126.9 -18.4 52.0 -27.3 44 164 A V E - 0 0 55 -11,-1.8 2,-0.3 -2,-0.4 -1,-0.2 0.707 60.3 -8.9-117.7 -40.0 -15.4 54.1 -26.1 45 165 A L E -C 33 0A 98 -12,-1.1 -12,-2.3 2,-0.0 -1,-0.4 -0.959 40.4-158.1-164.0 142.0 -12.3 52.7 -27.7 46 166 A A - 0 0 72 -2,-0.3 -14,-0.2 -14,-0.2 3,-0.1 -0.785 30.5-177.2-122.5 85.1 -11.1 49.8 -29.9 47 167 A P - 0 0 26 0, 0.0 -16,-0.8 0, 0.0 2,-0.1 0.009 42.1 -58.5 -72.6-176.0 -7.3 49.6 -29.3 48 168 A S > - 0 0 59 1,-0.1 3,-1.1 -18,-0.1 4,-0.2 -0.395 43.7-131.0 -63.4 140.3 -4.9 47.1 -31.0 49 169 A R G > S+ 0 0 83 -20,-0.3 3,-1.8 1,-0.2 4,-0.2 0.821 102.8 69.9 -63.8 -31.5 -5.7 43.5 -30.3 50 170 A K G > S+ 0 0 173 1,-0.3 3,-0.6 2,-0.1 4,-0.3 0.783 88.4 64.1 -55.9 -31.3 -2.1 42.8 -29.3 51 171 A L G X> S+ 0 0 47 -3,-1.1 4,-2.3 1,-0.2 3,-0.7 0.627 74.0 97.4 -70.7 -15.4 -2.6 44.9 -26.1 52 172 A S H <> S+ 0 0 14 -3,-1.8 4,-1.8 1,-0.3 -1,-0.2 0.855 84.6 44.2 -39.9 -55.6 -5.2 42.4 -24.7 53 173 A S H <> S+ 0 0 63 -3,-0.6 4,-1.9 -4,-0.2 -1,-0.3 0.821 113.2 51.4 -65.0 -33.9 -2.7 40.5 -22.5 54 174 A L H <> S+ 0 0 84 -3,-0.7 4,-2.2 -4,-0.3 -1,-0.2 0.865 109.6 48.3 -73.7 -38.6 -1.1 43.7 -21.2 55 175 A L H X S+ 0 0 2 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.863 113.7 48.0 -68.2 -37.5 -4.4 45.4 -20.1 56 176 A V H X S+ 0 0 5 -4,-1.8 4,-1.3 -5,-0.3 -2,-0.2 0.883 112.8 49.5 -67.3 -39.5 -5.4 42.1 -18.4 57 177 A S H X S+ 0 0 37 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.878 110.8 48.5 -67.9 -40.7 -2.0 42.0 -16.7 58 178 A R H X S+ 0 0 59 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.905 111.4 48.1 -66.9 -44.6 -2.1 45.6 -15.4 59 179 A V H X S+ 0 0 2 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.776 110.9 54.2 -70.0 -26.4 -5.6 45.4 -14.0 60 180 A K H <>S+ 0 0 0 -4,-1.3 5,-2.4 2,-0.2 3,-0.5 0.946 107.8 46.7 -68.1 -51.9 -4.7 42.1 -12.2 61 181 A V H <5S+ 0 0 60 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.762 108.4 56.8 -66.6 -26.8 -1.6 43.5 -10.4 62 182 A M H <5S+ 0 0 21 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.844 113.4 40.3 -68.1 -35.3 -3.6 46.6 -9.3 63 183 A A T <5S- 0 0 6 -4,-1.0 14,-0.7 -3,-0.5 -2,-0.2 0.292 116.5-115.2 -96.0 7.1 -6.1 44.2 -7.7 64 184 A K T 5 + 0 0 175 -3,-0.4 -3,-0.2 -4,-0.2 2,-0.2 0.890 65.6 146.4 61.8 44.4 -3.3 41.9 -6.4 65 185 A L < - 0 0 31 -5,-2.4 2,-0.3 1,-0.1 -1,-0.2 -0.579 57.7 -78.1-106.6 170.3 -4.4 38.9 -8.5 66 186 A D - 0 0 85 -2,-0.2 -1,-0.1 1,-0.2 -5,-0.0 -0.536 35.4-166.2 -73.8 126.8 -2.5 36.1 -10.2 67 187 A I S S+ 0 0 79 -2,-0.3 -1,-0.2 1,-0.1 -7,-0.0 0.933 85.0 40.8 -77.0 -49.9 -0.8 37.2 -13.4 68 188 A A S S+ 0 0 80 1,-0.1 2,-0.9 2,-0.0 -1,-0.1 0.701 91.9 91.8 -78.1 -22.8 0.1 33.8 -14.9 69 189 A E + 0 0 48 1,-0.1 3,-0.1 2,-0.1 -3,-0.1 -0.661 39.8 155.1 -79.3 104.7 -3.1 32.0 -14.0 70 190 A K + 0 0 105 -2,-0.9 -1,-0.1 1,-0.1 25,-0.1 0.040 57.1 72.4-116.6 22.8 -5.4 32.5 -17.0 71 191 A R S S+ 0 0 127 20,-0.1 639,-0.1 1,-0.0 636,-0.1 0.510 91.3 49.1-117.0 -10.6 -7.6 29.4 -16.6 72 192 A V S S- 0 0 23 -3,-0.1 2,-0.2 18,-0.1 -1,-0.0 -0.906 87.2 -97.0-129.2 157.8 -9.8 30.3 -13.6 73 193 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 17,-0.2 -0.560 38.4-165.8 -73.4 137.6 -12.0 33.3 -12.5 74 194 A Q E -D 89 0A 23 15,-0.9 15,-2.8 -2,-0.2 2,-0.4 -0.992 6.8-167.0-128.5 131.9 -10.3 35.8 -10.2 75 195 A D E +D 88 0A 71 -2,-0.4 2,-0.2 13,-0.2 13,-0.2 -0.970 19.1 158.0-119.7 131.5 -12.0 38.6 -8.1 76 196 A G - 0 0 13 11,-1.5 11,-0.5 -2,-0.4 2,-0.3 -0.730 27.1-122.9-138.9-174.6 -10.0 41.4 -6.4 77 197 A R - 0 0 130 -14,-0.7 2,-0.3 -2,-0.2 9,-0.2 -0.969 14.4-173.9-139.0 152.3 -10.2 44.9 -5.0 78 198 A I E -E 85 0A 14 7,-1.7 7,-1.7 -2,-0.3 2,-0.5 -0.984 13.3-150.1-141.6 151.2 -8.6 48.4 -5.4 79 199 A S E E 84 0A 89 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.934 360.0 360.0-126.6 107.8 -8.9 51.7 -3.6 80 200 A L 0 0 106 3,-2.6 4,-0.2 -2,-0.5 -1,-0.1 0.337 360.0 360.0-114.5 360.0 -8.3 54.9 -5.7 81 ! 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 82 206 A A 0 0 101 0, 0.0 23,-2.1 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 77.1 -12.5 57.8 -3.1 83 207 A V E - F 0 104A 19 21,-0.2 -3,-2.6 22,-0.1 2,-0.6 -0.926 360.0-162.0-112.1 116.4 -13.4 55.2 -5.7 84 208 A D E -EF 79 103A 12 19,-2.9 19,-2.8 -2,-0.6 2,-0.3 -0.875 13.9-168.6 -97.3 119.0 -13.6 51.5 -4.7 85 209 A V E -EF 78 102A 0 -7,-1.7 -7,-1.7 -2,-0.6 2,-0.5 -0.839 15.4-155.8-111.1 145.5 -13.5 49.1 -7.7 86 210 A R E - F 0 101A 68 15,-1.5 15,-1.8 -2,-0.3 -9,-0.2 -0.877 15.8-159.4-120.2 96.9 -14.2 45.4 -7.8 87 211 A V E - F 0 100A 1 -2,-0.5 -11,-1.5 -11,-0.5 2,-0.3 -0.429 7.2-171.3 -72.7 147.1 -12.4 43.7 -10.7 88 212 A S E -DF 75 99A 7 11,-1.8 11,-1.1 -13,-0.2 2,-0.2 -0.853 1.7-173.0-143.7 106.3 -13.6 40.4 -12.0 89 213 A T E +DF 74 98A 2 -15,-2.8 -15,-0.9 -2,-0.3 9,-0.2 -0.652 5.5 178.9 -95.3 155.0 -11.6 38.3 -14.6 90 214 A M E - F 0 97A 3 7,-0.7 7,-2.2 -2,-0.2 -18,-0.1 -0.982 29.9-105.5-154.2 143.8 -12.9 35.2 -16.3 91 215 A P + 0 0 15 0, 0.0 2,-0.2 0, 0.0 5,-0.2 -0.379 43.8 162.4 -69.9 150.2 -11.5 32.7 -18.9 92 216 A S > - 0 0 27 3,-0.2 3,-0.8 612,-0.1 612,-0.2 -0.859 52.2 -83.8-150.9-174.1 -12.8 32.8 -22.5 93 217 A S T 3 S+ 0 0 56 610,-1.2 2,-0.2 1,-0.3 3,-0.1 0.876 124.6 35.6 -67.1 -40.3 -11.9 31.6 -26.0 94 218 A H T 3 S- 0 0 31 -68,-0.4 -1,-0.3 1,-0.4 2,-0.1 -0.385 129.8 -72.5-112.2 52.2 -9.6 34.6 -26.9 95 219 A G S < S- 0 0 45 -3,-0.8 -1,-0.4 -2,-0.2 -3,-0.2 -0.368 81.9 -27.8 87.5-170.6 -8.0 35.1 -23.4 96 220 A E - 0 0 10 -5,-0.2 2,-0.5 -2,-0.1 -70,-0.3 -0.355 49.3-139.1 -82.4 158.4 -9.6 36.6 -20.3 97 221 A R E - F 0 90A 6 -7,-2.2 -7,-0.7 -72,-0.1 2,-0.4 -0.980 19.1-154.1-120.0 124.6 -12.4 39.1 -20.0 98 222 A V E +BF 24 89A 0 -74,-2.2 -74,-2.8 -2,-0.5 2,-0.3 -0.810 17.0 173.1-108.1 137.1 -12.2 41.9 -17.4 99 223 A V E -BF 23 88A 1 -11,-1.1 -11,-1.8 -2,-0.4 2,-0.5 -0.975 6.8-172.3-139.9 127.3 -14.9 43.9 -15.7 100 224 A M E -BF 22 87A 0 -78,-1.5 -78,-0.9 -2,-0.3 2,-0.5 -0.950 15.0-146.1-126.0 112.5 -14.4 46.3 -12.8 101 225 A R E -BF 21 86A 82 -15,-1.8 -15,-1.5 -2,-0.5 2,-0.7 -0.639 12.6-142.8 -81.7 121.7 -17.4 47.8 -11.0 102 226 A L E + F 0 85A 13 -82,-4.1 2,-0.4 -2,-0.5 -17,-0.2 -0.758 25.6 173.0 -91.0 113.3 -16.9 51.4 -9.9 103 227 A L E - F 0 84A 83 -19,-2.8 -19,-2.9 -2,-0.7 2,-0.3 -0.981 27.1-130.2-122.9 131.2 -18.5 52.1 -6.5 104 228 A D E F 0 83A 141 -2,-0.4 -21,-0.2 -21,-0.2 -2,-0.0 -0.589 360.0 360.0 -79.6 136.8 -18.0 55.4 -4.5 105 229 A K 0 0 188 -23,-2.1 -1,-0.1 -2,-0.3 -22,-0.1 0.640 360.0 360.0 -87.3 360.0 -17.0 55.1 -0.8 106 ! 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 0.0 107 235 A D > 0 0 115 0, 0.0 4,-1.1 0, 0.0 41,-0.1 0.000 360.0 360.0 360.0 136.5 -30.6 57.9 5.3 108 236 A L H >> + 0 0 5 2,-0.2 5,-1.3 1,-0.2 4,-1.1 0.819 360.0 51.6 -76.0 -33.1 -33.9 56.1 4.8 109 237 A H H 45S+ 0 0 108 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.859 107.6 53.1 -69.0 -37.9 -35.9 59.3 4.4 110 238 A S H 45S+ 0 0 92 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.816 104.9 55.8 -66.5 -32.6 -33.5 60.6 1.8 111 239 A L H <5S- 0 0 68 -4,-1.1 200,-2.5 199,-0.1 -1,-0.2 0.847 133.0 -80.1 -69.1 -35.9 -33.8 57.4 -0.3 112 240 A G T <5S+ 0 0 4 -4,-1.1 -3,-0.2 1,-0.3 201,-0.1 0.164 83.0 129.2 163.0 -32.9 -37.6 57.8 -0.5 113 241 A M < - 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0 0 45 -5,-2.0 4,-0.2 1,-0.1 2,-0.1 0.937 44.2-124.4 -70.8 -50.7 -52.0 20.2 -12.8 858 463 B G > - 0 0 31 -6,-0.4 4,-3.3 1,-0.1 5,-0.3 -0.377 21.1 -69.4 124.6 163.7 -49.8 17.6 -14.6 859 464 B E H > S+ 0 0 69 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.906 128.6 44.7 -49.0 -51.1 -48.5 16.7 -18.0 860 465 B Q H > S+ 0 0 164 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.951 116.8 42.5 -63.1 -55.4 -51.9 15.6 -19.3 861 466 B A H > S+ 0 0 31 -4,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.906 119.2 46.7 -56.8 -43.0 -53.9 18.6 -18.0 862 467 B M H X S+ 0 0 14 -4,-3.3 4,-1.7 1,-0.2 -2,-0.2 0.844 109.7 53.5 -68.9 -35.7 -51.1 20.9 -19.1 863 468 B E H X S+ 0 0 74 -4,-2.9 4,-1.7 -5,-0.3 -1,-0.2 0.812 105.7 55.2 -66.0 -31.7 -50.9 19.1 -22.5 864 469 B K H X S+ 0 0 142 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.893 111.0 42.4 -69.3 -42.2 -54.7 19.7 -22.9 865 470 B H H X S+ 0 0 82 -4,-1.5 4,-0.9 1,-0.2 -2,-0.2 0.801 111.8 56.8 -72.2 -31.1 -54.4 23.5 -22.4 866 471 B I H X S+ 0 0 5 -4,-1.7 4,-1.4 1,-0.2 3,-0.4 0.873 103.6 52.2 -67.8 -39.7 -51.3 23.6 -24.6 867 472 B R H < S+ 0 0 126 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.715 102.3 61.5 -70.2 -22.0 -53.1 22.1 -27.6 868 473 B A H < S+ 0 0 86 -4,-0.7 -1,-0.2 -3,-0.1 -2,-0.2 0.848 122.6 16.7 -69.6 -35.8 -55.8 24.7 -27.3 869 474 B T H < S+ 0 0 91 -4,-0.9 -2,-0.2 -3,-0.4 -3,-0.1 0.877 118.6 51.3-101.6 -67.6 -53.3 27.5 -27.9 870 475 B T S < S- 0 0 18 -4,-1.4 -1,-0.2 -5,-0.2 2,-0.1 -0.552 78.7-119.9 -84.3 136.3 -50.0 26.4 -29.5 871 476 B P - 0 0 86 0, 0.0 -29,-0.1 0, 0.0 -1,-0.1 -0.387 36.7-110.8 -63.8 152.3 -49.8 24.2 -32.6 872 477 B S > - 0 0 7 -5,-0.1 4,-1.0 -31,-0.1 -32,-0.1 -0.030 20.8-107.1 -78.1-178.9 -48.0 20.8 -32.1 873 478 B I H > S+ 0 0 22 2,-0.2 4,-1.3 1,-0.1 5,-0.1 0.868 121.2 49.3 -73.5 -39.5 -44.7 19.6 -33.4 874 479 B R H > S+ 0 0 87 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.893 106.1 54.9 -68.2 -42.4 -46.5 17.3 -35.9 875 480 B D H > S+ 0 0 72 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.861 107.1 50.7 -60.7 -38.8 -48.8 20.0 -37.2 876 481 B D H X S+ 0 0 12 -4,-1.0 4,-0.9 -36,-0.3 -1,-0.2 0.846 113.2 47.2 -66.5 -35.2 -45.8 22.2 -38.1 877 482 B G H X S+ 0 0 0 -4,-1.3 4,-1.2 2,-0.2 3,-0.4 0.892 108.3 53.8 -70.1 -42.8 -44.3 19.3 -39.9 878 483 B L H X S+ 0 0 6 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.785 102.8 58.5 -64.8 -29.6 -47.5 18.5 -41.8 879 484 B D H X S+ 0 0 78 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.863 105.7 49.3 -65.7 -37.3 -47.7 22.1 -43.0 880 485 B K H X>S+ 0 0 16 -4,-0.9 5,-2.8 -3,-0.4 4,-1.3 0.756 107.1 55.3 -72.4 -26.4 -44.3 21.5 -44.7 881 486 B V H <5S+ 0 0 1 -4,-1.2 -2,-0.2 3,-0.2 -1,-0.2 0.872 108.7 47.8 -70.5 -39.6 -45.6 18.3 -46.2 882 487 B R H <5S+ 0 0 140 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.892 111.8 50.0 -63.9 -42.2 -48.5 20.3 -47.8 883 488 B Q H <5S- 0 0 137 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.781 117.9-116.2 -66.9 -29.0 -46.0 22.9 -49.0 884 489 B G T <5S+ 0 0 10 -4,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.850 80.3 115.9 93.3 43.3 -43.8 20.1 -50.5 885 490 B I S - 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0 0 48 -5,-2.0 4,-0.2 1,-0.1 2,-0.1 0.937 44.2-124.4 -70.7 -50.9 -47.6 3.1 -8.5 1385 463 C G > - 0 0 32 -6,-0.4 4,-3.3 1,-0.1 5,-0.3 -0.377 21.2 -69.4 124.7 163.7 -45.8 -0.3 -7.9 1386 464 C E H > S+ 0 0 77 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.906 128.6 44.7 -48.9 -51.2 -45.4 -3.8 -9.4 1387 465 C Q H > S+ 0 0 162 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.951 116.7 42.5 -63.1 -55.4 -49.0 -4.8 -8.5 1388 466 C A H > S+ 0 0 31 -4,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.906 119.2 46.7 -56.9 -43.0 -50.7 -1.6 -9.7 1389 467 C M H X S+ 0 0 14 -4,-3.3 4,-1.7 1,-0.2 -2,-0.2 0.844 109.7 53.5 -68.9 -35.7 -48.5 -1.6 -12.8 1390 468 C E H X S+ 0 0 81 -4,-2.9 4,-1.7 -5,-0.3 -1,-0.2 0.811 105.8 55.1 -66.0 -31.6 -49.1 -5.4 -13.3 1391 469 C K H X S+ 0 0 144 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.892 111.0 42.4 -69.5 -42.1 -52.9 -4.7 -13.2 1392 470 C H H X S+ 0 0 79 -4,-1.5 4,-0.9 1,-0.2 -2,-0.2 0.801 111.8 56.8 -72.2 -31.1 -52.7 -2.0 -16.0 1393 471 C I H X S+ 0 0 1 -4,-1.7 4,-1.4 1,-0.2 3,-0.4 0.873 103.6 52.1 -67.8 -39.6 -50.3 -4.3 -18.0 1394 472 C R H < S+ 0 0 126 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.714 102.3 61.5 -70.4 -21.9 -52.8 -7.2 -18.1 1395 473 C A H < S+ 0 0 85 -4,-0.7 -1,-0.2 -3,-0.1 -2,-0.2 0.848 122.7 16.7 -69.7 -35.8 -55.5 -4.9 -19.4 1396 474 C T H < S+ 0 0 93 -4,-0.9 -2,-0.2 -3,-0.4 -3,-0.1 0.877 118.6 51.3-101.6 -67.6 -53.4 -4.2 -22.6 1397 475 C T S < S- 0 0 15 -4,-1.4 -1,-0.2 -5,-0.2 2,-0.1 -0.553 78.6-119.9 -84.3 136.3 -50.6 -6.7 -23.2 1398 476 C P - 0 0 87 0, 0.0 -29,-0.1 0, 0.0 -1,-0.1 -0.388 36.7-110.8 -63.8 152.4 -51.1 -10.5 -23.2 1399 477 C S > - 0 0 7 -5,-0.1 4,-1.0 -31,-0.1 -32,-0.1 -0.029 20.8-107.1 -78.1-178.9 -49.0 -12.4 -20.6 1400 478 C I H > S+ 0 0 21 2,-0.2 4,-1.3 1,-0.1 -33,-0.1 0.868 121.2 49.3 -73.7 -39.5 -46.1 -14.8 -21.1 1401 479 C R H > S+ 0 0 92 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.892 106.1 54.9 -68.0 -42.5 -48.3 -17.8 -20.3 1402 480 C D H > S+ 0 0 74 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.861 107.1 50.7 -60.8 -38.7 -51.1 -16.7 -22.7 1403 481 C D H X S+ 0 0 11 -4,-1.0 4,-0.9 -36,-0.3 -1,-0.2 0.845 113.2 47.2 -66.5 -35.2 -48.6 -16.6 -25.6 1404 482 C G H X S+ 0 0 0 -4,-1.3 4,-1.2 2,-0.2 3,-0.4 0.893 108.3 53.8 -70.2 -42.7 -47.5 -20.1 -24.5 1405 483 C L H X S+ 0 0 6 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.784 102.7 58.5 -64.8 -29.5 -51.0 -21.5 -24.3 1406 484 C D H X S+ 0 0 77 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.864 105.7 49.4 -65.7 -37.3 -51.8 -20.3 -27.8 1407 485 C K H X>S+ 0 0 17 -4,-0.9 5,-2.8 -3,-0.4 4,-1.3 0.756 107.1 55.3 -72.4 -26.3 -48.9 -22.5 -29.0 1408 486 C V H <5S+ 0 0 0 -4,-1.2 -2,-0.2 3,-0.2 -1,-0.2 0.872 108.7 47.8 -70.7 -39.6 -50.3 -25.4 -27.0 1409 487 C R H <5S+ 0 0 140 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.892 111.8 50.0 -63.8 -42.3 -53.7 -24.9 -28.9 1410 488 C Q H <5S- 0 0 137 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.781 117.8-116.2 -66.8 -29.1 -51.7 -24.8 -32.2 1411 489 C G T <5S+ 0 0 10 -4,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.851 80.2 115.9 93.3 43.4 -49.9 -28.0 -31.2 1412 490 C I S - 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