==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 21-SEP-04 1XI8 . COMPND 2 MOLECULE: MOLYBDENUM COFACTOR BIOSYNTHESIS PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR W.ZHOU,M.ZHAO,J.C.CHANG,Z.-J.LIU,L.CHEN,P.HORANYI,H.XU, . 534 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23292.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 16.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 48 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 2 0 0 0 0 3 5 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 4 1 2 1 2 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 . 4 7 3 2 5 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 . 4 2 0 0 2 2 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 6 A R 0 0 150 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 87.1 -0.5 53.9 27.3 2 7 A L - 0 0 64 1,-0.1 154,-0.2 154,-0.1 153,-0.1 -0.312 360.0-125.7 -80.0 145.5 -0.4 50.1 26.9 3 8 A T B -a 156 0A 23 152,-2.2 154,-1.6 -2,-0.1 2,-0.2 -0.684 32.3-115.4 -84.6 135.3 -3.2 47.7 25.9 4 9 A P > - 0 0 45 0, 0.0 4,-3.0 0, 0.0 3,-0.4 -0.516 27.5-115.2 -74.3 142.4 -3.7 44.8 28.4 5 10 A Y H > S+ 0 0 13 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.846 110.5 43.2 -44.7 -57.1 -2.9 41.4 26.9 6 11 A E H > S+ 0 0 126 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.874 115.8 48.7 -63.4 -38.9 -6.4 39.8 27.0 7 12 A E H > S+ 0 0 113 -3,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.919 114.8 47.6 -60.5 -46.9 -8.1 43.0 25.8 8 13 A A H X S+ 0 0 0 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.920 111.2 50.1 -58.7 -48.7 -5.5 43.0 23.0 9 14 A L H X S+ 0 0 27 -4,-3.4 4,-2.5 1,-0.2 5,-0.2 0.894 109.2 49.5 -61.5 -44.2 -6.0 39.3 22.1 10 15 A S H X S+ 0 0 67 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.775 105.3 60.0 -69.6 -23.3 -9.8 39.5 21.8 11 16 A I H X S+ 0 0 54 -4,-1.1 4,-0.8 -3,-0.2 -1,-0.2 0.921 109.5 42.0 -66.6 -42.5 -9.4 42.6 19.6 12 17 A V H >< S+ 0 0 0 -4,-1.5 3,-0.6 2,-0.2 4,-0.3 0.942 116.5 46.8 -69.1 -46.9 -7.4 40.5 17.1 13 18 A L H >< S+ 0 0 60 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.890 111.9 50.8 -66.0 -37.8 -9.6 37.4 17.3 14 19 A N H 3< S+ 0 0 149 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.709 106.3 54.9 -74.8 -17.4 -12.8 39.4 17.0 15 20 A D T << S+ 0 0 71 -4,-0.8 2,-0.5 -3,-0.6 -1,-0.3 0.427 98.7 79.6 -90.0 -1.1 -11.5 41.2 13.9 16 21 A L < - 0 0 15 -3,-1.1 2,-0.4 -4,-0.3 -1,-0.0 -0.926 64.8-157.6-114.9 127.4 -10.8 37.9 12.2 17 22 A K - 0 0 69 -2,-0.5 3,-0.1 1,-0.0 -3,-0.0 -0.860 31.7-103.4-104.1 134.8 -13.4 35.8 10.5 18 23 A E - 0 0 54 -2,-0.4 2,-0.3 1,-0.1 177,-0.2 -0.263 35.8-116.2 -53.1 131.7 -12.9 32.1 10.0 19 24 A I - 0 0 22 176,-2.9 -1,-0.1 1,-0.1 -3,-0.0 -0.547 26.1-170.2 -66.8 130.3 -12.0 31.2 6.4 20 25 A E + 0 0 112 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.1 0.156 44.8 120.7-112.5 20.4 -14.7 29.0 4.9 21 26 A E - 0 0 139 65,-0.2 65,-2.1 2,-0.0 2,-0.3 -0.728 45.9-164.8 -82.9 128.6 -12.8 28.0 1.8 22 27 A V E -B 85 0B 66 -2,-0.5 2,-0.3 63,-0.2 63,-0.2 -0.814 14.6-167.3-116.5 152.5 -12.4 24.3 1.5 23 28 A E E -B 84 0B 75 61,-2.8 61,-3.1 -2,-0.3 2,-0.5 -0.990 20.5-130.8-131.8 148.0 -10.2 21.9 -0.5 24 29 A Y E +B 83 0B 137 -2,-0.3 57,-0.0 59,-0.2 -2,-0.0 -0.860 31.4 176.6 -99.9 123.9 -10.5 18.1 -1.0 25 30 A V E -B 82 0B 15 57,-1.7 57,-2.5 -2,-0.5 5,-0.1 -0.964 33.4-100.5-130.5 143.9 -7.3 16.2 -0.4 26 31 A P E >> -B 81 0B 72 0, 0.0 3,-1.1 0, 0.0 4,-0.6 -0.137 35.0-113.7 -58.0 159.0 -6.5 12.4 -0.4 27 32 A L G >4 S+ 0 0 9 53,-0.9 3,-1.0 1,-0.3 4,-0.4 0.853 113.7 65.6 -64.5 -37.1 -6.2 10.7 3.0 28 33 A K G 34 S+ 0 0 82 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.734 112.9 34.2 -55.7 -24.9 -2.4 10.1 2.4 29 34 A D G <4 S+ 0 0 111 -3,-1.1 -1,-0.2 1,-0.1 -2,-0.2 0.443 95.6 87.2-112.4 -1.2 -1.9 13.9 2.5 30 35 A A X< + 0 0 0 -3,-1.0 3,-2.1 -4,-0.6 36,-0.2 0.588 53.4 126.8 -78.4 -11.9 -4.6 14.9 5.0 31 36 A L T 3 S+ 0 0 60 -4,-0.4 36,-0.2 1,-0.3 3,-0.1 -0.233 82.2 3.9 -51.9 121.1 -2.4 14.4 8.2 32 37 A G T 3 S+ 0 0 36 34,-2.2 -1,-0.3 1,-0.3 80,-0.1 0.374 99.3 124.0 86.7 -5.4 -2.4 17.6 10.3 33 38 A R < - 0 0 36 -3,-2.1 33,-2.3 33,-0.1 2,-0.7 -0.403 67.0-104.3 -83.2 165.3 -4.8 19.5 8.3 34 39 A V B -D 65 0C 6 51,-0.3 51,-2.2 31,-0.2 31,-0.2 -0.830 28.1-122.8-101.6 113.9 -8.1 21.0 9.7 35 40 A L B -C 84 0B 0 29,-2.5 28,-3.1 -2,-0.7 49,-0.3 -0.296 18.7-152.4 -51.0 122.9 -11.4 19.2 8.9 36 41 A A + 0 0 5 47,-2.8 2,-0.3 26,-0.2 -1,-0.2 0.600 68.2 14.1 -80.4 -14.1 -13.6 21.8 7.3 37 42 A E S S- 0 0 92 46,-0.5 -1,-0.1 24,-0.1 27,-0.1 -0.994 87.6 -83.6-160.7 151.6 -16.9 20.3 8.4 38 43 A D - 0 0 76 -2,-0.3 2,-0.6 24,-0.1 23,-0.2 -0.326 43.9-139.7 -53.3 134.7 -18.6 17.9 10.7 39 44 A I E -E 60 0D 8 21,-3.0 20,-2.9 -4,-0.0 21,-1.2 -0.920 14.1-161.0-104.6 122.6 -18.5 14.4 9.2 40 45 A V E -E 58 0D 82 -2,-0.6 2,-0.3 18,-0.3 18,-0.2 -0.832 23.9-114.4-101.9 139.6 -21.6 12.4 9.6 41 46 A A - 0 0 5 16,-2.2 15,-2.3 -2,-0.4 16,-0.1 -0.543 19.5-168.1 -77.8 133.3 -21.4 8.6 9.2 42 47 A S S S+ 0 0 87 -2,-0.3 2,-0.2 35,-0.2 -1,-0.1 0.500 74.4 50.9 -89.4 -7.2 -23.3 7.0 6.2 43 48 A Y S S- 0 0 133 11,-0.1 2,-0.4 7,-0.0 13,-0.1 -0.731 78.9-118.4-123.2 168.7 -22.6 3.6 7.8 44 49 A D 0 0 86 -2,-0.2 10,-0.2 10,-0.2 5,-0.1 -0.905 360.0 360.0 -96.5 136.3 -22.9 1.5 11.0 45 50 A L 0 0 68 8,-2.6 7,-1.9 -2,-0.4 8,-0.6 -0.976 360.0 360.0-123.1 360.0 -19.6 0.3 12.3 46 ! 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 47 142 A S 0 0 158 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 117.2 -21.3 -6.1 20.8 48 143 A F > - 0 0 188 1,-0.1 3,-1.9 2,-0.1 4,-0.2 -0.377 360.0 -90.6 -83.7 151.5 -24.0 -4.3 18.8 49 144 A A T 3 S+ 0 0 89 1,-0.3 -1,-0.1 2,-0.1 5,-0.1 -0.231 113.0 23.7 -50.9 137.1 -23.8 -2.8 15.3 50 145 A G T 3 S+ 0 0 10 3,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.459 77.0 129.9 82.2 1.5 -22.8 0.9 15.3 51 146 A E S < S+ 0 0 66 -3,-1.9 3,-0.2 1,-0.1 -2,-0.1 0.903 82.2 41.6 -53.2 -39.3 -21.0 0.6 18.7 52 147 A D S S- 0 0 24 -7,-1.9 2,-0.3 1,-0.3 -1,-0.1 0.996 142.1 -19.6 -67.5 -74.1 -18.1 2.3 17.0 53 148 A V - 0 0 11 -8,-0.6 -8,-2.6 4,-0.0 2,-0.4 -0.996 67.9-146.9-137.8 138.2 -20.1 4.9 15.0 54 149 A K > - 0 0 31 -2,-0.3 3,-2.2 -10,-0.2 -13,-0.3 -0.849 35.8 -84.2-107.7 140.5 -23.8 4.8 14.2 55 150 A K T 3 S+ 0 0 147 -2,-0.4 -13,-0.2 1,-0.2 -1,-0.1 -0.025 113.6 18.2 -34.8 129.0 -25.6 6.1 11.0 56 151 A G T 3 S+ 0 0 62 -15,-2.3 -1,-0.2 1,-0.3 2,-0.2 0.294 96.5 117.7 88.0 -9.9 -26.4 9.8 11.3 57 152 A D S < S- 0 0 96 -3,-2.2 -16,-2.2 -16,-0.1 2,-0.7 -0.532 76.2-101.2 -83.9 154.2 -24.0 10.6 14.2 58 153 A I E -E 40 0D 83 -18,-0.2 -18,-0.3 -2,-0.2 3,-0.2 -0.678 34.7-176.3 -75.7 113.8 -21.0 13.0 13.8 59 154 A A E S+ 0 0 15 -20,-2.9 2,-0.3 -2,-0.7 -1,-0.2 0.896 73.6 10.9 -75.3 -42.2 -18.0 10.8 13.4 60 155 A L E S-E 39 0D 6 -21,-1.2 -21,-3.0 -23,-0.1 -1,-0.3 -0.998 79.7-125.5-140.8 136.1 -15.5 13.8 13.4 61 156 A K > - 0 0 83 -2,-0.3 3,-1.7 -23,-0.2 -26,-0.2 -0.520 31.8 -98.4 -84.1 144.9 -16.1 17.5 14.3 62 157 A K T 3 S+ 0 0 70 1,-0.3 -26,-0.2 -2,-0.2 -1,-0.1 -0.306 112.1 35.8 -49.0 136.0 -15.4 20.5 12.2 63 158 A G T 3 S+ 0 0 1 -28,-3.1 136,-2.6 1,-0.3 -1,-0.3 0.392 79.9 148.0 94.9 -3.5 -12.0 21.9 13.3 64 159 A T < - 0 0 31 -3,-1.7 -29,-2.5 -29,-0.2 2,-1.0 -0.499 48.3-136.1 -68.8 129.5 -10.4 18.6 14.1 65 160 A I B -D 34 0C 42 134,-0.4 -31,-0.2 -2,-0.2 5,-0.1 -0.809 38.3-119.1 -83.0 103.9 -6.6 18.5 13.5 66 161 A L - 0 0 2 -33,-2.3 -34,-2.2 -2,-1.0 -33,-0.1 -0.220 36.5-173.0 -62.0 128.8 -6.5 15.2 11.8 67 162 A R >> - 0 0 58 -36,-0.2 4,-2.3 -35,-0.1 3,-0.5 -0.615 43.4 -88.7-114.0 171.3 -4.4 12.4 13.4 68 163 A P H 3> S+ 0 0 6 0, 0.0 4,-1.4 0, 0.0 312,-0.1 0.883 129.9 43.2 -50.8 -40.5 -3.4 8.9 12.4 69 164 A Q H 3> S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 448,-0.2 0.793 107.9 59.3 -76.3 -27.3 -6.6 7.5 13.9 70 165 A D H <> S+ 0 0 0 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.903 107.4 47.1 -65.2 -40.3 -8.8 10.3 12.5 71 166 A L H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.870 108.3 56.1 -67.0 -37.6 -7.7 9.2 9.0 72 167 A A H X S+ 0 0 0 -4,-1.4 4,-1.7 -5,-0.3 -2,-0.2 0.868 107.0 49.0 -62.6 -36.9 -8.3 5.6 9.9 73 168 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.909 108.5 53.5 -70.5 -39.3 -11.9 6.5 10.8 74 169 A L H X>S+ 0 0 0 -4,-1.8 5,-2.4 1,-0.2 4,-0.7 0.910 107.5 50.9 -59.0 -43.6 -12.3 8.4 7.5 75 170 A K H ><5S+ 0 0 109 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.915 108.3 52.6 -60.0 -41.8 -11.2 5.4 5.5 76 171 A A H 3<5S+ 0 0 31 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.852 109.8 48.9 -61.6 -35.3 -13.7 3.2 7.4 77 172 A L H 3<5S- 0 0 9 -4,-1.8 -1,-0.3 -5,-0.1 -35,-0.2 0.506 118.1-113.9 -84.6 -7.3 -16.4 5.7 6.4 78 173 A G T <<5 + 0 0 59 -3,-1.0 2,-1.1 -4,-0.7 -3,-0.2 0.737 64.2 147.2 84.8 27.1 -15.3 5.7 2.8 79 174 A I < + 0 0 40 -5,-2.4 -1,-0.2 1,-0.2 -2,-0.1 -0.660 12.6 167.6-100.2 79.3 -14.1 9.3 2.5 80 175 A R S S+ 0 0 70 -2,-1.1 -53,-0.9 1,-0.2 2,-0.5 0.779 73.2 46.6 -60.4 -30.9 -11.2 9.0 0.0 81 176 A K E S-B 26 0B 48 -55,-0.2 -1,-0.2 -3,-0.2 -57,-0.0 -0.946 80.9-153.1-119.5 112.6 -11.2 12.9 -0.3 82 177 A V E -B 25 0B 0 -57,-2.5 -57,-1.7 -2,-0.5 2,-0.9 -0.701 16.3-127.2 -90.3 128.2 -11.3 14.8 3.0 83 178 A P E +B 24 0B 5 0, 0.0 -47,-2.8 0, 0.0 -46,-0.5 -0.607 42.4 171.4 -71.3 107.9 -12.7 18.3 3.1 84 179 A V E -BC 23 35B 0 -61,-3.1 -61,-2.8 -2,-0.9 -49,-0.2 -0.801 37.2 -96.7-115.6 159.7 -9.9 20.4 4.7 85 180 A K E -B 22 0B 5 -51,-2.2 2,-0.4 -2,-0.3 -51,-0.3 -0.535 39.5-112.4 -73.3 138.6 -9.5 24.1 5.2 86 181 A V - 0 0 43 -65,-2.1 -65,-0.2 -2,-0.2 -67,-0.1 -0.607 44.9-105.1 -68.9 125.8 -7.4 25.9 2.7 87 182 A K - 0 0 61 -2,-0.4 26,-0.2 1,-0.1 2,-0.1 -0.269 32.2-114.4 -54.8 129.6 -4.3 27.0 4.7 88 183 A P - 0 0 0 0, 0.0 26,-2.9 0, 0.0 2,-0.4 -0.491 31.6-125.5 -58.9 137.6 -4.3 30.7 5.4 89 184 A K E -f 114 0E 87 24,-0.2 51,-1.6 -2,-0.1 52,-1.3 -0.777 23.5-158.8 -88.9 132.2 -1.4 32.3 3.6 90 185 A V E -fg 115 141E 0 24,-3.1 26,-2.2 -2,-0.4 52,-0.2 -0.907 5.0-147.7-120.0 106.8 0.9 34.2 5.9 91 186 A G E -fg 116 142E 0 50,-2.3 52,-3.5 -2,-0.6 2,-0.5 -0.485 9.4-158.7 -71.9 136.3 3.2 36.9 4.4 92 187 A I E +fg 117 143E 1 24,-2.5 26,-2.3 -2,-0.2 27,-0.5 -0.949 12.6 177.6-121.1 112.3 6.5 37.4 6.1 93 188 A I E -fg 119 144E 0 50,-3.2 52,-2.6 -2,-0.5 2,-0.5 -0.941 11.5-158.2-113.2 134.2 8.3 40.7 5.6 94 189 A I E f 120 0E 10 25,-2.4 27,-2.6 -2,-0.4 52,-0.1 -0.959 360.0 360.0-118.0 129.5 11.6 41.5 7.3 95 190 A T 0 0 62 -2,-0.5 28,-0.1 50,-0.4 25,-0.1 -0.684 360.0 360.0 -95.6 360.0 12.8 45.0 7.8 96 ! 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 97 209 A V 0 0 164 0, 0.0 2,-0.6 0, 0.0 253,-0.1 0.000 360.0 360.0 360.0-168.2 21.9 38.1 9.7 98 210 A D + 0 0 37 1,-0.1 4,-0.3 251,-0.1 -4,-0.0 -0.799 360.0 157.3-103.2 113.7 18.2 37.2 9.8 99 211 A T > + 0 0 13 -2,-0.6 4,-1.7 2,-0.1 -1,-0.1 0.550 67.7 75.5-104.6 -11.3 16.9 34.3 11.8 100 212 A N H > S+ 0 0 9 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.842 85.8 61.1 -72.0 -35.3 13.3 35.5 12.1 101 213 A S H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.958 112.9 35.7 -54.9 -54.0 12.4 34.6 8.5 102 214 A I H > S+ 0 0 31 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.818 116.2 54.4 -74.8 -30.3 13.0 30.9 9.0 103 215 A M H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.946 113.4 41.5 -67.0 -45.7 11.8 30.9 12.6 104 216 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.889 110.5 58.0 -67.6 -40.7 8.4 32.4 11.7 105 217 A S H X S+ 0 0 29 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.898 111.2 41.5 -57.6 -45.1 8.1 30.3 8.5 106 218 A A H X S+ 0 0 7 -4,-1.8 4,-3.2 2,-0.2 -1,-0.2 0.911 112.2 55.5 -70.2 -40.7 8.3 27.1 10.6 107 219 A L H X S+ 0 0 2 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.911 111.8 42.9 -57.0 -44.3 6.1 28.5 13.3 108 220 A V H <>S+ 0 0 0 -4,-3.0 5,-1.8 2,-0.2 -1,-0.2 0.921 113.0 53.0 -68.8 -42.9 3.3 29.3 10.8 109 221 A E H ><5S+ 0 0 93 -4,-2.1 3,-0.7 -5,-0.3 -2,-0.2 0.914 110.3 48.3 -52.3 -46.7 3.9 25.9 9.1 110 222 A R H 3<5S+ 0 0 135 -4,-3.2 -1,-0.2 1,-0.3 2,-0.2 0.799 112.9 51.5 -66.5 -29.0 3.5 24.3 12.6 111 223 A Y T 3<5S- 0 0 12 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.419 122.6 -85.6-117.7 58.9 0.3 26.3 13.2 112 224 A F T < 5S+ 0 0 21 -3,-0.7 -3,-0.2 -2,-0.2 -78,-0.1 0.104 89.7 106.7 81.0 -16.7 -1.9 25.8 10.2 113 225 A G < - 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