==== 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 UNKNOWN FUNCTION 17-SEP-07 2RAR . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR Z.LU,D.DUNAWAY-MARIANO,K.N.ALLEN . 261 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11410.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1.5 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 . 11 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 5.4 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 2 2 1 0 1 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 A M 0 0 195 0, 0.0 2,-0.3 0, 0.0 259,-0.0 0.000 360.0 360.0 360.0 171.5 19.3 22.0 62.8 2 2 A T + 0 0 23 1,-0.2 204,-0.2 204,-0.0 3,-0.1 -0.430 360.0 158.4 -74.2 132.1 19.2 22.5 59.0 3 3 A K + 0 0 110 202,-3.2 35,-2.7 1,-0.3 2,-0.4 0.552 64.3 43.9-119.3 -24.6 19.9 19.5 56.9 4 4 A A E -ab 38 206A 0 201,-1.9 203,-2.2 33,-0.2 2,-0.4 -0.991 60.1-161.4-134.0 134.1 18.3 20.5 53.5 5 5 A L E -ab 39 207A 0 33,-2.9 35,-2.9 -2,-0.4 2,-0.5 -0.930 4.5-161.1-113.1 134.5 18.5 23.8 51.6 6 6 A F E -ab 40 208A 0 201,-2.5 203,-2.4 -2,-0.4 2,-0.6 -0.949 11.1-169.1-118.1 113.8 15.9 24.7 48.9 7 7 A F E -ab 41 209A 0 33,-3.1 35,-2.7 -2,-0.5 203,-0.2 -0.900 16.3-145.6-110.8 126.1 16.9 27.4 46.5 8 8 A D > - 0 0 2 201,-2.2 5,-0.5 -2,-0.6 35,-0.2 -0.375 18.2-144.5 -66.6 159.8 14.8 29.2 43.9 9 9 A I T >>>S+ 0 0 0 33,-0.3 5,-2.5 3,-0.2 3,-2.1 0.907 72.9 63.9 -95.8 -74.0 16.8 30.1 40.8 10 10 A A B 345S-h 14 0B 5 1,-0.3 201,-0.2 2,-0.2 5,-0.2 -0.396 124.1 -3.9 -64.8 119.6 15.8 33.5 39.3 11 11 A G T 345S+ 0 0 0 3,-3.1 -1,-0.3 -2,-0.2 235,-0.2 0.383 134.8 59.8 83.7 0.9 16.5 36.4 41.7 12 12 A T T <45S+ 0 0 0 -3,-2.1 239,-0.2 2,-0.2 -3,-0.2 0.656 126.4 3.9-122.9 -56.6 17.7 34.0 44.4 13 13 A L T < - 0 0 1 5,-2.7 4,-1.6 -2,-0.5 5,-0.2 -0.533 2.4-148.8 -65.8 134.3 20.7 37.7 39.3 16 16 A F T 4 S+ 0 0 33 2,-0.2 -1,-0.2 -2,-0.2 -6,-0.0 0.733 100.6 50.9 -73.1 -21.3 18.1 39.3 36.9 17 17 A E T 4 S+ 0 0 156 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.943 126.5 18.0 -82.2 -45.3 20.6 42.1 36.3 18 18 A T T 4 S- 0 0 72 2,-0.2 -2,-0.2 0, 0.0 -1,-0.1 0.500 88.4-134.7 -98.0 -12.1 23.8 40.1 35.4 19 19 A H S < S+ 0 0 64 -4,-1.6 2,-0.3 1,-0.2 -3,-0.1 0.740 72.0 106.9 60.0 21.4 22.2 36.8 34.6 20 20 A R S S- 0 0 163 -5,-0.2 -5,-2.7 33,-0.0 -2,-0.2 -0.849 77.3-109.0-125.1 169.1 25.0 35.2 36.7 21 21 A I - 0 0 7 -2,-0.3 -7,-0.2 -7,-0.2 5,-0.1 -0.820 46.5-109.4 -95.5 131.0 25.3 33.5 40.1 22 22 A P >> - 0 0 18 0, 0.0 4,-1.7 0, 0.0 3,-1.1 -0.158 22.4-123.2 -56.8 142.9 27.2 35.8 42.5 23 23 A S H 3> S+ 0 0 90 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.854 110.6 56.6 -59.6 -35.2 30.6 34.5 43.3 24 24 A S H 3> S+ 0 0 10 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.773 103.0 56.9 -69.7 -22.2 29.9 34.4 47.1 25 25 A T H <> S+ 0 0 0 -3,-1.1 4,-2.4 2,-0.2 5,-0.2 0.887 105.9 48.6 -70.2 -45.2 26.9 32.2 46.4 26 26 A I H X S+ 0 0 20 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.952 113.2 48.6 -61.6 -45.0 29.1 29.6 44.7 27 27 A E H X S+ 0 0 132 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.929 111.7 49.6 -61.3 -40.1 31.6 29.7 47.7 28 28 A A H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.902 110.2 48.9 -68.3 -38.6 28.7 29.4 50.2 29 29 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.891 110.5 52.4 -70.0 -35.1 27.2 26.4 48.5 30 30 A E H X S+ 0 0 63 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.942 111.7 46.0 -59.6 -44.4 30.7 24.7 48.3 31 31 A A H X S+ 0 0 42 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.906 114.4 46.9 -69.8 -36.6 31.2 25.2 52.0 32 32 A A H <>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 4,-0.3 0.897 108.0 56.4 -70.7 -33.5 27.7 23.9 52.9 33 33 A H H ><5S+ 0 0 77 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 0.917 107.2 49.4 -59.4 -47.3 28.1 20.9 50.6 34 34 A A H 3<5S+ 0 0 88 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.810 106.2 56.9 -67.2 -26.6 31.3 19.9 52.5 35 35 A K T 3<5S- 0 0 141 -4,-1.2 -1,-0.3 -3,-0.1 -2,-0.2 0.432 123.5-107.1 -76.3 -5.8 29.4 20.3 55.8 36 36 A G T < 5 + 0 0 46 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.528 65.7 152.5 92.8 8.8 26.9 17.8 54.5 37 37 A L < - 0 0 14 -5,-2.6 2,-0.5 223,-0.1 -1,-0.3 -0.453 46.1-126.8 -65.7 146.7 24.0 20.0 53.8 38 38 A K E -a 4 0A 80 -35,-2.7 -33,-2.9 -2,-0.1 2,-0.5 -0.822 24.5-150.9 -93.4 137.5 21.8 18.7 51.0 39 39 A I E -a 5 0A 0 -2,-0.5 24,-3.2 22,-0.2 25,-0.7 -0.944 16.9-179.0-118.5 117.3 21.3 21.4 48.3 40 40 A F E -ac 6 64A 0 -35,-2.9 -33,-3.1 -2,-0.5 2,-0.4 -0.928 23.9-136.4-123.4 145.7 18.2 21.4 46.2 41 41 A I E -ac 7 65A 0 23,-2.1 25,-2.7 -2,-0.4 2,-0.4 -0.767 18.2-173.7 -90.4 140.8 16.9 23.6 43.4 42 42 A A E + c 0 66A 0 -35,-2.7 2,-0.3 -2,-0.4 -33,-0.3 -0.857 24.4 152.8-137.9 101.6 13.2 24.6 43.7 43 43 A T - 0 0 3 23,-2.8 26,-2.2 -2,-0.4 27,-0.4 -0.925 56.4-133.1-136.3 157.8 12.0 26.4 40.5 44 44 A G S S+ 0 0 1 -2,-0.3 -1,-0.1 24,-0.3 23,-0.1 0.691 83.7 97.6 -78.9 -16.0 9.1 27.2 38.4 45 45 A R S S- 0 0 4 23,-0.1 23,-2.0 22,-0.1 2,-0.2 -0.359 75.4-126.8 -74.3 146.3 11.2 26.3 35.3 46 46 A P > - 0 0 6 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.576 33.3-104.6 -81.8 159.3 11.0 22.8 33.7 47 47 A K G > S+ 0 0 132 1,-0.3 3,-2.3 -2,-0.2 -2,-0.1 0.879 115.5 71.7 -52.2 -33.4 14.4 21.0 33.3 48 48 A A G 3 S+ 0 0 69 1,-0.3 -1,-0.3 63,-0.1 64,-0.1 0.687 106.4 34.3 -61.8 -19.6 14.3 21.8 29.6 49 49 A I G < S+ 0 0 11 -3,-2.2 2,-1.6 82,-0.1 -1,-0.3 0.134 79.4 114.8-123.0 17.9 15.0 25.5 30.2 50 50 A I < + 0 0 22 -3,-2.3 3,-0.1 -4,-0.2 -3,-0.0 -0.722 33.7 142.6 -83.7 93.7 17.3 25.3 33.2 51 51 A N + 0 0 69 -2,-1.6 -1,-0.2 1,-0.1 3,-0.1 0.183 51.4 65.7-119.7 22.1 20.2 26.8 31.3 52 52 A N S S+ 0 0 31 1,-0.1 3,-0.2 -3,-0.1 -1,-0.1 0.205 78.7 75.6-130.6 19.3 21.8 29.0 33.9 53 53 A L >> + 0 0 0 -3,-0.1 4,-2.5 1,-0.1 3,-1.3 0.266 51.5 116.5-115.6 12.8 23.1 26.6 36.6 54 54 A S H 3> S+ 0 0 63 1,-0.3 4,-3.4 2,-0.2 5,-0.2 0.799 70.4 62.0 -58.8 -29.7 26.2 25.2 35.0 55 55 A E H 34 S+ 0 0 55 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.875 114.2 34.7 -58.4 -40.0 28.5 26.6 37.6 56 56 A L H <4>S+ 0 0 0 -3,-1.3 5,-2.0 2,-0.2 6,-0.3 0.875 118.7 51.6 -83.2 -36.0 26.8 24.6 40.3 57 57 A Q H ><5S+ 0 0 67 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.900 109.2 48.9 -67.9 -39.2 26.1 21.6 38.1 58 58 A D T 3<5S+ 0 0 125 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.699 109.7 53.1 -74.4 -15.6 29.7 21.3 36.9 59 59 A R T 3 5S- 0 0 138 -4,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.417 109.5-127.2 -92.5 2.0 30.8 21.5 40.6 60 60 A N T < 5 + 0 0 130 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.880 67.0 133.6 57.1 42.0 28.5 18.7 41.5 61 61 A L < + 0 0 2 -5,-2.0 2,-0.5 -23,-0.0 -22,-0.2 0.553 39.5 88.2-102.0 -7.8 26.9 20.7 44.3 62 62 A I - 0 0 26 -6,-0.3 -22,-0.2 1,-0.1 3,-0.1 -0.825 48.0-174.6 -99.8 130.2 23.1 20.0 43.6 63 63 A D - 0 0 43 -24,-3.2 2,-0.3 -2,-0.5 -23,-0.2 0.481 65.4 -17.8 -98.0 -10.7 21.6 16.9 45.2 64 64 A G E -c 40 0A 1 -25,-0.7 -23,-2.1 11,-0.2 2,-0.4 -0.943 60.4-119.6 176.1 168.2 18.1 17.1 43.6 65 65 A Y E -cD 41 74A 32 9,-3.0 9,-2.4 -2,-0.3 2,-0.6 -0.979 7.0-165.5-135.3 136.2 15.6 19.2 41.8 66 66 A I E +cD 42 73A 0 -25,-2.7 -23,-2.8 -2,-0.4 2,-0.3 -0.986 33.7 174.0-108.2 112.4 12.0 20.5 42.3 67 67 A T E > > + D 0 72A 0 5,-2.5 5,-1.6 -2,-0.6 3,-1.6 -0.754 51.1 29.7-121.5 167.5 11.0 21.7 38.9 68 68 A M G > 5S- 0 0 5 -23,-2.0 3,-2.2 1,-0.3 -24,-0.3 0.918 131.4 -61.9 52.6 43.5 7.8 23.0 37.4 69 69 A N G 3 5S- 0 0 12 -26,-2.2 -1,-0.3 1,-0.3 121,-0.2 0.763 107.7 -42.3 57.5 29.7 6.7 24.4 40.8 70 70 A G G < 5S+ 0 0 0 -3,-1.6 -1,-0.3 -27,-0.4 3,-0.2 0.230 115.6 108.5 102.1 -8.2 6.7 20.9 42.4 71 71 A A T < 5S+ 0 0 0 -3,-2.2 12,-1.8 -4,-0.3 2,-0.3 0.547 86.0 32.1 -81.6 -3.9 5.0 19.0 39.5 72 72 A Y E S- E 0 78A 21 3,-2.5 3,-2.1 -2,-0.3 2,-0.3 -0.979 78.6 -40.8-126.1 108.2 17.1 13.1 42.5 76 76 A G T 3 S- 0 0 52 -2,-0.5 -11,-0.1 1,-0.3 -12,-0.0 -0.545 126.3 -26.4 70.1-128.1 19.9 12.2 40.1 77 77 A E T 3 S+ 0 0 187 -2,-0.3 2,-0.6 -3,-0.1 -1,-0.3 0.499 117.6 105.5 -94.8 -1.1 18.2 10.3 37.3 78 78 A E E < -E 75 0A 107 -3,-2.1 -3,-2.5 2,-0.0 2,-0.5 -0.672 63.0-147.3 -91.8 114.8 15.4 9.1 39.5 79 79 A V E +E 74 0A 56 -2,-0.6 -5,-0.3 -5,-0.2 3,-0.1 -0.677 18.4 179.0 -73.1 121.0 11.9 10.8 39.1 80 80 A I E - 0 0 21 -7,-2.3 2,-0.3 -2,-0.5 -6,-0.2 0.602 64.7 -0.0-101.6 -13.1 10.4 10.8 42.7 81 81 A Y E +E 73 0A 55 -8,-1.4 -8,-2.9 2,-0.0 -1,-0.4 -0.918 62.4 165.6-169.9 144.6 7.1 12.6 41.9 82 82 A K E -E 72 0A 104 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.979 9.8-167.2-154.7 163.9 5.3 14.1 38.9 83 83 A S - 0 0 21 -12,-1.8 2,-0.3 -2,-0.3 -2,-0.0 -0.928 9.0-144.1-146.2 172.6 1.9 15.2 38.0 84 84 A A - 0 0 53 -2,-0.3 64,-0.2 98,-0.0 98,-0.1 -0.997 25.4-111.1-138.9 154.5 -0.3 16.2 35.0 85 85 A I - 0 0 5 62,-3.3 62,-0.3 -2,-0.3 5,-0.1 -0.506 42.6 -95.6 -87.2 142.5 -3.0 18.7 34.6 86 86 A P >> - 0 0 53 0, 0.0 4,-1.7 0, 0.0 3,-1.0 -0.320 34.9-127.9 -51.7 132.5 -6.6 17.6 34.1 87 87 A Q H 3> S+ 0 0 50 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.834 105.9 59.7 -59.3 -37.6 -7.2 17.6 30.3 88 88 A E H 3> S+ 0 0 169 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.872 106.9 47.0 -54.5 -34.3 -10.3 19.8 30.6 89 89 A E H <> S+ 0 0 12 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.845 108.9 53.3 -81.1 -30.2 -8.3 22.5 32.2 90 90 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.976 112.6 46.1 -64.0 -43.9 -5.5 22.2 29.5 91 91 A K H X S+ 0 0 84 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.879 111.5 51.2 -65.7 -40.2 -8.2 22.7 26.8 92 92 A A H X S+ 0 0 27 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.875 111.9 46.5 -65.3 -42.3 -9.8 25.6 28.6 93 93 A M H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.929 111.3 51.3 -67.9 -39.8 -6.5 27.4 29.0 94 94 A A H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.919 113.6 46.3 -61.2 -44.0 -5.6 26.8 25.3 95 95 A A H X S+ 0 0 59 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.876 111.8 50.1 -65.9 -36.0 -9.0 28.2 24.3 96 96 A F H X S+ 0 0 10 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.929 113.8 44.3 -70.2 -44.0 -8.8 31.2 26.5 97 97 A C H X>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 4,-1.2 0.903 113.1 50.6 -69.1 -40.1 -5.3 32.1 25.3 98 98 A E H ><5S+ 0 0 117 -4,-2.3 3,-0.6 -5,-0.2 -2,-0.2 0.954 113.4 46.6 -61.3 -47.0 -6.2 31.6 21.7 99 99 A K H 3<5S+ 0 0 151 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.893 115.3 45.6 -61.4 -38.3 -9.4 33.8 22.1 100 100 A K H 3<5S- 0 0 70 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.601 110.1-121.3 -83.0 -13.1 -7.4 36.5 23.9 101 101 A G T <<5 + 0 0 54 -4,-1.2 -3,-0.2 -3,-0.6 -4,-0.1 0.872 66.5 131.4 74.1 39.3 -4.6 36.5 21.5 102 102 A V < - 0 0 18 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.925 55.9-111.3-122.1 155.2 -1.9 35.7 24.0 103 103 A P - 0 0 0 0, 0.0 50,-2.4 0, 0.0 2,-0.3 -0.395 27.9-168.4 -78.5 155.2 0.9 33.0 23.9 104 104 A C E -IJ 115 152C 0 11,-1.3 11,-2.5 48,-0.2 2,-0.4 -0.991 13.3-143.0-146.7 135.8 1.1 30.0 26.1 105 105 A I E -IJ 114 151C 2 46,-1.9 46,-2.8 -2,-0.3 2,-0.5 -0.783 13.3-158.9 -95.6 136.8 3.9 27.5 26.7 106 106 A F E -IJ 113 150C 0 7,-2.8 7,-2.1 -2,-0.4 2,-0.5 -0.986 6.1-160.1-123.2 119.8 2.9 23.8 27.2 107 107 A V E -IJ 112 149C 2 42,-2.9 41,-2.8 -2,-0.5 42,-1.5 -0.904 10.0-179.6-107.5 121.9 5.4 21.6 29.0 108 108 A E - 0 0 37 3,-3.1 3,-0.4 -2,-0.5 39,-0.1 -0.572 47.8 -92.9-101.4 178.1 5.3 17.8 28.7 109 109 A E S S+ 0 0 62 37,-0.4 38,-0.1 1,-0.2 3,-0.0 0.924 121.7 11.2 -57.4 -40.8 7.7 15.4 30.4 110 110 A H S S+ 0 0 143 -62,-0.0 2,-0.3 -3,-0.0 -1,-0.2 0.057 125.6 51.5-131.1 25.4 10.1 15.3 27.5 111 111 A N - 0 0 106 -3,-0.4 -3,-3.1 2,-0.0 2,-0.4 -0.990 54.6-163.0-155.9 153.4 8.9 18.1 25.2 112 112 A I E +I 107 0C 25 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.994 15.3 174.1-138.0 138.6 8.2 21.8 25.5 113 113 A S E -I 106 0C 7 -7,-2.1 -7,-2.8 -2,-0.4 2,-0.4 -0.962 19.4-144.5-139.7 164.7 6.3 23.9 23.0 114 114 A V E -Ik 105 136C 0 21,-2.5 23,-2.2 -2,-0.3 2,-0.5 -0.982 11.5-144.9-130.8 143.4 4.9 27.4 22.6 115 115 A C E S-I 104 0C 0 -11,-2.5 -11,-1.3 -2,-0.4 23,-0.1 -0.914 76.0 -16.6-109.9 130.2 1.7 28.5 20.9 116 116 A Q S S- 0 0 120 -2,-0.5 -1,-0.2 21,-0.4 22,-0.1 0.888 79.1-156.1 46.8 53.0 1.5 31.8 18.9 117 117 A P + 0 0 52 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.304 22.3 168.5 -59.0 140.5 4.6 33.3 20.5 118 118 A N >> - 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0 0 141 -2,-0.1 2,-0.4 -62,-0.0 -37,-0.4 -0.786 51.8-163.8 -84.4 106.3 -0.4 15.2 28.5 147 147 A V - 0 0 0 -2,-1.0 -62,-3.3 -62,-0.3 -39,-0.2 -0.797 30.2-178.1-110.1 130.0 0.8 18.5 30.1 148 148 A I S S+ 0 0 8 -41,-2.8 35,-0.4 -2,-0.4 2,-0.3 0.794 77.5 8.6 -88.1 -35.0 2.6 19.0 33.3 149 149 A Q E -J 107 0C 1 -42,-1.5 -42,-2.9 33,-0.1 2,-0.4 -0.993 58.4-158.7-147.2 141.1 2.8 22.8 33.3 150 150 A M E -JL 106 181C 0 31,-2.1 31,-3.0 -2,-0.3 -44,-0.2 -0.942 4.1-163.3-114.3 143.4 1.3 25.6 31.3 151 151 A T E -J 105 0C 5 -46,-2.8 -46,-1.9 -2,-0.4 2,-0.3 -0.779 11.9-174.4-126.1 86.9 2.8 29.0 31.2 152 152 A P E -J 104 0C 0 0, 0.0 27,-2.0 0, 0.0 2,-1.4 -0.590 27.4-133.4 -81.8 141.8 0.3 31.6 29.8 153 153 A F + 0 0 7 -50,-2.4 2,-0.3 -2,-0.3 25,-0.2 -0.681 57.7 144.4 -92.7 74.2 1.5 35.2 29.2 154 154 A I - 0 0 3 -2,-1.4 2,-0.1 -52,-0.1 -57,-0.0 -0.873 48.3-123.3-118.2 147.5 -1.5 36.6 30.9 155 155 A T > - 0 0 71 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.316 35.8-102.1 -78.7 173.8 -2.1 39.6 33.1 156 156 A E H > S+ 0 0 126 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.913 125.6 51.4 -62.7 -39.8 -3.5 39.4 36.6 157 157 A E H > S+ 0 0 120 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.927 112.4 47.2 -59.1 -43.4 -6.9 40.7 35.3 158 158 A E H > S+ 0 0 31 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.887 108.3 54.8 -66.7 -38.3 -6.7 37.9 32.6 159 159 A E H X S+ 0 0 19 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.928 107.7 49.0 -59.8 -39.4 -5.8 35.4 35.2 160 160 A K H < S+ 0 0 127 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.874 110.6 53.0 -70.5 -30.4 -8.9 36.3 37.2 161 161 A E H < S+ 0 0 76 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.876 114.4 39.0 -66.1 -39.2 -10.9 35.9 34.0 162 162 A V H >< S+ 0 0 1 -4,-2.1 3,-2.2 1,-0.2 4,-0.5 0.669 91.7 92.8 -87.2 -15.5 -9.7 32.4 33.2 163 163 A L G >< S+ 0 0 53 -4,-1.6 3,-2.0 1,-0.3 -1,-0.2 0.839 77.5 58.4 -48.2 -48.9 -9.7 31.2 36.8 164 164 A P G 3 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.749 105.6 53.3 -52.2 -27.8 -13.2 29.7 36.6 165 165 A S G < S+ 0 0 56 -3,-2.2 -73,-0.2 1,-0.2 -2,-0.2 0.376 108.3 45.9 -88.4 -11.2 -12.0 27.5 33.8 166 166 A I S X S+ 0 0 1 -3,-2.0 3,-1.2 -4,-0.5 -1,-0.2 -0.431 72.5 162.4-128.3 63.3 -8.9 26.0 35.6 167 167 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.606 70.2 35.3 -59.5 -25.3 -10.8 25.2 38.8 168 168 A T T 3 S+ 0 0 53 -3,-0.1 2,-0.1 -82,-0.1 17,-0.1 0.455 94.5 100.9-112.1 -2.9 -8.4 22.7 40.3 169 169 A C < - 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0 0 0 -27,-2.0 2,-0.4 -2,-0.3 -6,-0.2 -0.910 13.6-129.4-134.9 155.4 2.2 32.7 35.3 180 180 A D E - M 0 172C 4 -8,-2.8 -8,-2.0 -2,-0.3 2,-0.5 -0.935 18.8-158.2-108.4 137.4 2.8 29.0 35.7 181 181 A V E +LM 150 171C 0 -31,-3.0 -31,-2.1 -2,-0.4 2,-0.3 -0.958 17.8 165.5-121.0 122.8 -0.1 26.6 36.1 182 182 A T E - M 0 170C 3 -12,-2.0 -12,-2.7 -2,-0.5 3,-0.1 -0.848 39.9 -79.4-127.2 171.7 0.2 23.1 37.6 183 183 A A S > S- 0 0 9 -35,-0.4 3,-2.8 -2,-0.3 -14,-0.1 -0.099 71.8 -54.1 -71.7 170.5 -2.2 20.5 38.9 184 184 A K T 3 S+ 0 0 147 1,-0.3 -1,-0.2 -15,-0.1 -15,-0.1 -0.145 122.7 0.3 -49.4 125.8 -3.9 20.6 42.4 185 185 A G T 3 S+ 0 0 34 1,-0.2 2,-1.3 -3,-0.1 5,-0.3 0.286 89.1 135.8 81.1 -5.1 -1.5 21.0 45.2 186 186 A D < + 0 0 3 -3,-2.8 2,-0.3 4,-0.1 -115,-0.2 -0.640 26.8 127.1 -88.4 95.8 1.6 21.1 43.1 187 187 A T S >> S- 0 0 28 -2,-1.3 4,-1.8 -117,-0.2 3,-0.6 -0.848 79.0 -90.2-129.4 175.6 3.6 24.0 44.6 188 188 A K H 3> S+ 0 0 1 26,-0.5 4,-2.4 -2,-0.3 5,-0.1 0.785 125.2 65.0 -66.0 -22.3 7.2 24.1 45.8 189 189 A Q H 3> S+ 0 0 73 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.931 102.0 47.2 -60.8 -43.4 5.8 23.1 49.2 190 190 A K H <> S+ 0 0 56 -3,-0.6 4,-2.5 -5,-0.3 -2,-0.2 0.905 109.9 55.4 -62.4 -38.9 4.8 19.7 47.7 191 191 A G H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.922 106.5 48.8 -59.1 -46.2 8.3 19.6 46.2 192 192 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.945 110.5 52.4 -59.9 -44.6 10.0 20.0 49.6 193 193 A D H X S+ 0 0 60 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.902 111.4 45.4 -60.6 -43.2 7.7 17.3 51.0 194 194 A E H X S+ 0 0 23 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.916 113.9 48.7 -67.5 -41.9 8.7 14.8 48.3 195 195 A I H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 6,-0.2 0.950 113.9 44.7 -65.1 -41.0 12.4 15.6 48.5 196 196 A I H X>S+ 0 0 13 -4,-3.0 5,-1.8 1,-0.2 4,-1.2 0.866 108.3 58.5 -74.4 -27.4 12.6 15.3 52.2 197 197 A R H ><5S+ 0 0 142 -4,-1.9 3,-0.7 -5,-0.3 -1,-0.2 0.942 107.5 49.3 -59.8 -42.4 10.5 12.0 52.1 198 198 A H H 3<5S+ 0 0 65 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.866 118.2 37.2 -66.5 -37.5 13.2 10.6 49.8 199 199 A F H 3<5S- 0 0 65 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.479 106.0-119.2 -96.2 -2.7 16.1 11.6 52.1 200 200 A G T <<5 + 0 0 62 -4,-1.2 2,-0.3 -3,-0.7 -3,-0.2 0.728 63.2 148.7 72.2 23.4 14.4 10.9 55.5 201 201 A I < - 0 0 17 -5,-1.8 2,-0.3 -6,-0.2 -1,-0.2 -0.635 43.9-127.5 -93.7 141.2 14.9 14.6 56.4 202 202 A K > - 0 0 131 -2,-0.3 3,-2.4 1,-0.1 -199,-0.2 -0.653 15.6-119.8 -87.7 157.7 12.3 16.2 58.6 203 203 A L G > S+ 0 0 42 1,-0.3 3,-1.8 -2,-0.3 20,-0.9 0.868 113.8 64.1 -57.0 -31.3 10.4 19.4 57.8 204 204 A E G 3 S+ 0 0 140 1,-0.3 -1,-0.3 18,-0.1 18,-0.0 0.604 98.5 55.9 -71.7 -4.1 11.8 20.9 60.9 205 205 A E G < S+ 0 0 42 -3,-2.4 -202,-3.2 -203,-0.1 -201,-1.9 0.066 89.8 102.9-112.1 19.2 15.4 20.5 59.4 206 206 A T E < -b 4 0A 1 -3,-1.8 18,-1.4 -204,-0.2 2,-0.4 -0.772 44.8-171.6-109.9 156.2 14.6 22.5 56.1 207 207 A M E -bf 5 224A 0 -203,-2.2 -201,-2.5 -2,-0.3 2,-0.3 -0.994 8.8-164.3-139.6 132.3 15.5 26.0 54.9 208 208 A S E -bf 6 225A 0 16,-2.4 18,-2.9 -2,-0.4 2,-0.4 -0.864 4.5-159.4-118.8 154.4 14.2 27.7 51.8 209 209 A F E +bf 7 226A 0 -203,-2.4 -201,-2.2 -2,-0.3 2,-0.3 -0.995 24.5 148.4-133.2 131.8 15.3 30.8 49.8 210 210 A G E - f 0 227A 0 16,-2.2 18,-2.3 -2,-0.4 21,-0.1 -0.958 36.2-167.2-159.5 165.2 13.2 32.7 47.5 211 211 A D + 0 0 19 -2,-0.3 21,-0.6 -201,-0.2 2,-0.2 0.426 68.9 67.1-129.9 -6.2 12.4 36.1 45.9 212 212 A G S > S- 0 0 7 19,-0.1 3,-2.1 23,-0.1 4,-0.5 -0.673 84.9-102.7-126.6 164.7 9.0 35.6 44.2 213 213 A G G > S+ 0 0 37 -40,-0.3 3,-1.3 1,-0.3 4,-0.4 0.873 117.6 60.3 -54.7 -35.5 5.3 34.9 44.6 214 214 A N G 3 S+ 0 0 13 -41,-1.9 -26,-0.5 1,-0.3 -1,-0.3 0.501 101.5 56.1 -75.6 5.9 5.8 31.3 43.6 215 215 A D G <> S+ 0 0 0 -3,-2.1 4,-2.3 -42,-0.2 -1,-0.3 0.494 80.7 90.3-106.9 -8.0 8.2 30.9 46.6 216 216 A I H <> S+ 0 0 38 -3,-1.3 4,-2.3 -4,-0.5 5,-0.3 0.922 84.3 50.6 -60.4 -42.4 5.7 32.1 49.3 217 217 A S H > S+ 0 0 33 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.904 114.7 44.5 -63.9 -36.4 4.3 28.6 50.1 218 218 A M H > S+ 0 0 0 -4,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.826 109.3 56.4 -78.5 -22.2 7.9 27.1 50.5 219 219 A L H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.878 115.9 38.3 -70.7 -39.4 9.0 30.2 52.6 220 220 A R H < S+ 0 0 168 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.838 118.6 48.9 -77.3 -28.8 6.1 29.5 55.0 221 221 A H H < S+ 0 0 39 -4,-2.0 -2,-0.2 -5,-0.3 -3,-0.2 0.868 93.2 78.6 -81.5 -39.1 6.4 25.7 54.8 222 222 A A S < S- 0 0 4 -4,-2.2 3,-0.2 -5,-0.1 -15,-0.1 -0.257 92.1-113.4 -65.4 157.8 10.1 25.2 55.4 223 223 A A S S+ 0 0 46 -20,-0.9 2,-0.4 1,-0.3 -16,-0.2 0.922 108.1 24.4 -61.8 -37.3 11.2 25.5 59.0 224 224 A I E S-f 207 0A 43 -18,-1.4 -16,-2.4 2,-0.0 2,-0.5 -0.994 75.7-163.6-131.4 122.1 13.2 28.7 58.1 225 225 A G E -f 208 0A 0 -2,-0.4 15,-2.4 -18,-0.2 16,-1.7 -0.933 4.6-162.6-104.8 125.3 12.2 30.8 55.1 226 226 A V E -fg 209 241A 0 -18,-2.9 -16,-2.2 -2,-0.5 2,-0.4 -0.946 2.5-160.1-112.0 118.8 14.7 33.3 53.7 227 227 A A E -fg 210 242A 0 14,-2.5 16,-2.5 -2,-0.5 -16,-0.2 -0.826 23.2-115.5 -94.7 141.5 13.6 36.1 51.4 228 228 A M > - 0 0 0 -18,-2.3 3,-1.8 -2,-0.4 16,-0.1 -0.382 27.6-116.7 -67.3 152.6 16.0 38.0 49.2 229 229 A G T 3 S+ 0 0 12 15,-1.9 -1,-0.1 1,-0.3 15,-0.1 0.766 112.2 51.4 -68.0 -25.8 16.4 41.7 50.0 230 230 A Q T 3 S+ 0 0 84 14,-0.2 -1,-0.3 -219,-0.2 -19,-0.1 0.377 85.3 119.1 -89.5 7.5 15.0 43.0 46.7 231 231 A A S < S- 0 0 10 -3,-1.8 -19,-0.1 -21,-0.1 -4,-0.0 -0.262 73.4 -96.3 -70.5 154.4 11.8 40.8 47.0 232 232 A K >> - 0 0 162 -21,-0.6 4,-2.3 1,-0.1 3,-0.6 -0.229 41.3-100.7 -64.5 161.6 8.3 42.5 47.1 233 233 A E H 3> S+ 0 0 169 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.806 119.0 54.3 -58.0 -36.6 6.8 43.0 50.5 234 234 A D H 3> S+ 0 0 96 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.839 109.1 48.9 -74.1 -30.4 4.4 40.1 50.5 235 235 A V H X> S+ 0 0 3 -3,-0.6 4,-0.8 2,-0.2 3,-0.7 0.926 111.8 49.9 -69.1 -46.0 7.3 37.6 49.7 236 236 A K H >< S+ 0 0 73 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.901 108.1 54.6 -55.7 -39.1 9.3 39.2 52.6 237 237 A A H 3< S+ 0 0 68 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.769 104.0 53.4 -72.0 -20.9 6.3 38.8 55.0 238 238 A A H << S+ 0 0 4 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.633 100.2 82.4 -83.6 -18.2 6.0 35.1 54.3 239 239 A A S << S- 0 0 16 -3,-1.0 -13,-0.2 -4,-0.8 3,-0.1 -0.440 70.9-144.4 -84.7 161.2 9.7 34.7 55.2 240 240 A D S S+ 0 0 109 -15,-2.4 2,-0.3 1,-0.3 -14,-0.2 0.671 89.5 22.7 -89.2 -22.6 11.2 34.3 58.7 241 241 A Y E -g 226 0A 64 -16,-1.7 -14,-2.5 -5,-0.0 2,-0.6 -0.988 66.7-149.0-147.8 133.5 14.4 36.3 57.8 242 242 A V E -g 227 0A 65 -2,-0.3 -14,-0.2 -16,-0.2 2,-0.1 -0.961 22.0-165.4-109.2 120.7 15.1 38.8 55.0 243 243 A T - 0 0 11 -16,-2.5 7,-0.1 -2,-0.6 8,-0.1 -0.249 32.7 -70.6 -93.5-175.0 18.6 38.8 53.8 244 244 A A - 0 0 20 6,-0.3 -15,-1.9 5,-0.2 -14,-0.2 -0.196 67.4 -77.0 -68.6 163.7 20.6 41.3 51.7 245 245 A P > > - 0 0 40 0, 0.0 3,-2.1 0, 0.0 5,-1.3 -0.244 50.3-102.4 -56.6 159.6 19.8 41.8 48.0 246 246 A I G > 5S+ 0 0 11 1,-0.3 3,-0.6 -235,-0.2 4,-0.4 0.865 120.8 48.1 -55.1 -41.2 21.1 39.1 45.7 247 247 A D G 3 5S+ 0 0 76 1,-0.3 -1,-0.3 2,-0.2 -232,-0.0 0.309 102.6 64.5 -90.3 19.2 24.0 41.1 44.4 248 248 A E G < 5S- 0 0 111 -3,-2.1 -1,-0.3 -226,-0.0 -4,-0.1 -0.347 128.9 -88.4-123.0 39.5 25.1 42.2 47.9 249 249 A D T <>5S+ 0 0 69 -3,-0.6 4,-2.9 1,-0.1 5,-0.3 0.803 70.9 160.8 64.3 33.0 25.9 38.6 49.0 250 250 A G H > S+ 0 0 0 -5,-0.3 4,-2.6 -239,-0.2 5,-0.2 0.978 115.6 44.5 -65.2 -47.4 22.7 34.1 50.1 252 252 A S H > S+ 0 0 10 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.926 113.0 51.9 -62.1 -42.1 26.1 33.9 51.7 253 253 A K H X S+ 0 0 97 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.891 111.0 47.9 -62.8 -39.0 25.1 36.4 54.4 254 254 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.3 6,-0.2 0.942 111.6 48.8 -66.6 -41.5 22.0 34.4 55.2 255 255 A M H X>S+ 0 0 0 -4,-2.6 5,-1.9 1,-0.2 6,-1.0 0.905 113.1 47.4 -68.4 -37.2 23.8 31.1 55.5 256 256 A K H ><5S+ 0 0 135 -4,-2.6 3,-1.3 -5,-0.2 -1,-0.2 0.931 107.0 58.8 -66.8 -41.0 26.5 32.6 57.7 257 257 A H H 3<5S+ 0 0 105 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.864 110.3 41.8 -55.7 -42.0 23.8 34.2 59.9 258 258 A F H 3<5S- 0 0 65 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.517 112.8-116.0 -80.9 -7.6 22.3 30.9 60.6 259 259 A G T <<5S+ 0 0 54 -3,-1.3 -3,-0.2 -4,-0.6 -2,-0.1 0.644 76.7 131.1 82.3 15.9 25.6 29.1 61.1 260 260 A I < 0 0 12 -5,-1.9 -4,-0.2 -6,-0.2 -223,-0.1 0.891 360.0 360.0 -64.6 -40.7 24.9 26.8 58.1 261 261 A I 0 0 68 -6,-1.0 -2,-0.2 -9,-0.2 -1,-0.1 -0.798 360.0 360.0-129.2 360.0 28.5 27.9 57.1