==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 27-NOV-07 2ZDR . COMPND 2 MOLECULE: CAPSULE BIOSYNTHESIS PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR A.ROSANALLY,E.MORRISON,P.BERTI,M.S.JUNOP . 348 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17178.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 5.7 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 . 1 0.3 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 . 18 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 0 0 1 4 0 1 0 0 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 3 1 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 PARALLEL BRIDGES PER LADDER . 5 0 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 0 0 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 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 2 A Q 0 0 137 0, 0.0 2,-0.3 0, 0.0 227,-0.0 0.000 360.0 360.0 360.0 -40.3 20.9 -1.5 27.7 2 3 A N - 0 0 41 2,-0.1 204,-0.1 226,-0.1 14,-0.0 -0.955 360.0-120.2-161.7-178.3 17.2 -0.8 28.6 3 4 A N + 0 0 125 -2,-0.3 2,-0.2 12,-0.1 205,-0.1 0.105 57.1 137.1-121.5 19.3 13.5 -1.1 28.0 4 5 A N + 0 0 42 203,-0.2 11,-0.6 201,-0.1 12,-0.3 -0.473 26.2 161.4 -65.6 136.0 12.6 2.6 27.6 5 6 A E E +A 14 0A 121 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.988 15.9 173.9-152.4 149.8 10.2 3.1 24.7 6 7 A F E -A 13 0A 14 7,-1.6 7,-2.7 -2,-0.3 2,-0.4 -0.972 28.6-110.9-149.7 167.6 7.7 5.7 23.4 7 8 A K E -A 12 0A 124 -2,-0.3 2,-0.7 5,-0.2 5,-0.2 -0.836 10.1-165.1-102.5 138.1 5.5 6.3 20.3 8 9 A I E > S-A 11 0A 1 3,-2.7 3,-2.1 -2,-0.4 2,-0.3 -0.950 80.9 -52.8-110.9 99.9 5.9 9.0 17.6 9 10 A G T 3 S- 0 0 44 -2,-0.7 96,-0.0 116,-0.4 115,-0.0 -0.520 124.1 -19.5 60.8-122.6 2.5 8.6 16.1 10 11 A N T 3 S+ 0 0 135 -2,-0.3 2,-0.6 -3,-0.1 -1,-0.3 0.462 118.6 98.1 -90.7 0.6 2.2 4.9 15.3 11 12 A R E < -A 8 0A 26 -3,-2.1 -3,-2.7 38,-0.0 2,-0.3 -0.795 63.3-146.8-101.8 114.9 6.0 4.2 15.4 12 13 A S E -A 7 0A 37 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.641 16.0-163.1 -79.3 139.2 7.5 2.8 18.7 13 14 A V E +A 6 0A 0 -7,-2.7 -7,-1.6 -2,-0.3 2,-0.2 -0.959 32.9 83.4-125.8 140.6 11.0 3.9 19.4 14 15 A G E > S-A 5 0A 0 -2,-0.4 3,-2.5 216,-0.3 -9,-0.2 -0.800 84.5 -60.5 149.9 173.1 13.6 2.5 21.8 15 16 A Y T 3 S+ 0 0 29 -11,-0.6 -1,-0.1 1,-0.3 -12,-0.1 0.765 128.0 50.0 -53.7 -34.7 16.2 -0.1 22.4 16 17 A N T 3 S+ 0 0 88 -12,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.346 105.7 71.8 -90.2 7.6 13.9 -3.1 21.8 17 18 A H S < S- 0 0 47 -3,-2.5 -3,-0.1 1,-0.1 3,-0.1 -0.731 98.9 -80.9-116.1 163.8 12.6 -1.6 18.5 18 19 A E - 0 0 66 -2,-0.2 -4,-0.3 -6,-0.1 246,-0.1 -0.407 60.3 -99.4 -59.1 137.5 14.1 -1.1 15.1 19 20 A P - 0 0 5 0, 0.0 2,-0.5 0, 0.0 212,-0.2 -0.329 36.8-130.6 -59.7 147.4 16.3 2.0 15.1 20 21 A L E -b 231 0B 0 210,-2.4 212,-3.1 -3,-0.1 2,-0.6 -0.900 12.8-153.6-104.2 122.4 14.5 5.0 13.6 21 22 A I E -b 232 0B 10 -2,-0.5 29,-0.6 210,-0.2 2,-0.6 -0.859 7.7-153.4 -97.0 121.1 16.3 7.1 10.9 22 23 A I E -bc 233 50B 0 210,-4.0 212,-1.6 -2,-0.6 2,-1.0 -0.864 5.5-148.6 -94.9 120.4 15.2 10.7 10.8 23 24 A C E -bc 234 51B 0 27,-2.1 29,-3.0 -2,-0.6 2,-1.1 -0.801 13.4-158.8 -88.3 99.8 15.6 12.3 7.4 24 25 A E E +bc 235 52B 8 210,-2.5 212,-2.4 -2,-1.0 29,-0.2 -0.710 22.4 171.6 -86.6 100.9 16.3 15.9 8.1 25 26 A I E > + 0 0 3 27,-1.7 3,-2.6 -2,-1.1 4,-0.2 0.845 26.2 156.9 -72.8 -32.4 15.5 17.9 5.1 26 27 A G E 3 S- c 0 53B 0 26,-1.5 28,-0.6 1,-0.3 3,-0.2 -0.220 73.2 -22.5 54.9-123.8 16.1 21.0 7.2 27 28 A I T > S+ 0 0 7 -3,-0.1 3,-2.4 1,-0.1 -1,-0.3 0.230 105.6 111.4-102.6 8.4 16.9 24.1 5.1 28 29 A N T < + 0 0 4 -3,-2.6 -2,-0.1 1,-0.3 -1,-0.1 0.706 67.3 66.3 -57.5 -24.6 18.2 21.9 2.2 29 30 A H T > S- 0 0 3 -4,-0.2 3,-1.9 -3,-0.2 -1,-0.3 0.528 98.0-138.4 -74.9 -9.3 15.2 23.0 0.1 30 31 A E T < - 0 0 54 -3,-2.4 56,-0.1 1,-0.3 -2,-0.1 0.808 66.8 -55.8 54.0 31.7 16.6 26.6 0.0 31 32 A G T 3 S+ 0 0 25 54,-0.7 2,-0.6 1,-0.2 -1,-0.3 0.444 106.6 124.8 87.8 2.4 13.1 28.0 0.6 32 33 A S <> - 0 0 43 -3,-1.9 4,-2.5 1,-0.2 -1,-0.2 -0.843 48.1-159.5-102.0 121.8 11.5 26.3 -2.4 33 34 A L H > S+ 0 0 31 -2,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.893 96.3 56.2 -64.2 -38.6 8.4 24.2 -1.8 34 35 A K H > S+ 0 0 139 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.923 108.9 45.9 -55.2 -47.7 9.0 22.4 -5.2 35 36 A T H > S+ 0 0 22 -6,-0.2 4,-2.7 1,-0.2 5,-0.2 0.937 110.5 53.5 -64.1 -43.6 12.5 21.5 -4.1 36 37 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.910 108.7 50.1 -58.5 -40.4 11.2 20.3 -0.7 37 38 A F H X S+ 0 0 54 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.883 107.7 52.8 -63.8 -40.2 8.7 18.1 -2.5 38 39 A E H X S+ 0 0 56 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.929 112.2 46.4 -60.8 -43.8 11.5 16.6 -4.7 39 40 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.886 111.0 50.3 -66.8 -36.6 13.4 15.8 -1.5 40 41 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.909 110.8 51.4 -65.7 -38.5 10.3 14.3 0.2 41 42 A D H X S+ 0 0 49 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.909 109.4 49.6 -63.7 -43.7 9.7 12.2 -2.9 42 43 A A H X S+ 0 0 16 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.906 111.5 48.1 -64.8 -41.8 13.3 11.0 -2.8 43 44 A A H X>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 4,-0.7 0.914 112.6 49.6 -61.5 -46.8 13.0 10.1 0.9 44 45 A Y H ><5S+ 0 0 109 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.948 111.0 47.6 -57.5 -49.9 9.8 8.3 0.4 45 46 A N H 3<5S+ 0 0 119 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.761 109.1 55.4 -66.7 -23.3 11.1 6.3 -2.5 46 47 A A H 3<5S- 0 0 8 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.591 124.4-101.6 -85.8 -11.9 14.2 5.4 -0.6 47 48 A G T <<5 + 0 0 27 -3,-1.4 -3,-0.2 -4,-0.7 -2,-0.1 0.592 59.5 166.6 105.0 12.1 12.1 4.0 2.3 48 49 A A < - 0 0 9 -5,-2.5 -1,-0.2 -6,-0.1 3,-0.1 -0.267 23.4-166.1 -60.0 146.3 12.2 6.8 4.9 49 50 A E S S+ 0 0 66 -28,-0.5 56,-2.6 1,-0.3 2,-0.4 0.712 73.3 30.6-102.1 -30.2 9.8 6.6 7.8 50 51 A V E -cd 22 105B 1 -29,-0.6 -27,-2.1 54,-0.2 2,-0.5 -0.998 58.5-163.0-138.3 131.5 10.1 10.2 9.1 51 52 A V E -cd 23 106B 1 54,-2.5 56,-1.9 -2,-0.4 2,-0.4 -0.975 16.4-156.3-110.4 127.8 10.9 13.5 7.4 52 53 A K E -cd 24 107B 0 -29,-3.0 -27,-1.7 -2,-0.5 -26,-1.5 -0.912 8.7-170.1-108.1 135.6 12.1 16.3 9.7 53 54 A H E -cd 26 108B 2 54,-2.3 56,-1.2 -2,-0.4 2,-0.4 -0.471 20.4-126.9-103.1 174.8 11.8 20.0 8.8 54 55 A Q E - d 0 109B 17 -28,-0.6 2,-0.7 54,-0.2 54,-0.0 -0.997 19.0-144.4-119.5 133.2 13.1 23.2 10.5 55 56 A T E - d 0 110B 0 54,-2.8 56,-1.5 -2,-0.4 2,-0.5 -0.878 20.9-174.7-104.5 111.4 10.6 25.8 11.4 56 57 A H + 0 0 9 -2,-0.7 2,-0.5 31,-0.3 3,-0.1 -0.934 22.0 166.6-114.9 115.0 12.1 29.3 10.9 57 58 A I >> - 0 0 33 -2,-0.5 4,-1.4 1,-0.1 3,-1.2 -0.917 23.6-162.0-120.2 96.1 10.3 32.5 11.8 58 59 A V H 3> S+ 0 0 7 -2,-0.5 4,-2.0 1,-0.3 -1,-0.1 0.784 80.1 56.1 -62.2 -33.7 13.3 34.9 11.7 59 60 A E H 34 S+ 0 0 129 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.827 115.5 36.5 -69.0 -33.4 11.8 37.8 13.7 60 61 A D H <4 S+ 0 0 52 -3,-1.2 53,-0.4 1,-0.1 -1,-0.2 0.592 118.3 53.2 -91.5 -15.2 11.0 35.6 16.7 61 62 A E H < S+ 0 0 43 -4,-1.4 2,-0.3 1,-0.2 -2,-0.2 0.771 114.8 24.5 -86.6 -32.3 14.2 33.5 16.3 62 63 A M < - 0 0 31 -4,-2.0 -1,-0.2 -5,-0.2 2,-0.2 -0.979 62.8-138.5-141.5 144.6 16.8 36.2 16.2 63 64 A S > - 0 0 71 -2,-0.3 3,-2.8 -3,-0.1 4,-0.3 -0.492 50.0 -87.3 -92.2 175.0 17.5 39.8 17.2 64 65 A D G > S+ 0 0 113 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.744 122.6 74.0 -57.8 -23.5 19.2 42.4 14.9 65 66 A E G > S+ 0 0 134 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.786 82.3 69.4 -57.6 -27.1 22.5 41.2 16.2 66 67 A A G X S+ 0 0 12 -3,-2.8 13,-1.5 1,-0.3 3,-0.7 0.665 85.0 68.3 -69.2 -16.5 22.1 38.0 14.1 67 68 A K G < S+ 0 0 90 -3,-1.7 -1,-0.3 -4,-0.3 10,-0.2 0.536 102.5 48.2 -74.5 -8.4 22.6 40.1 10.9 68 69 A Q G < S+ 0 0 155 -3,-1.7 2,-0.4 -4,-0.2 -1,-0.2 0.355 95.3 81.1-113.0 2.4 26.2 40.5 12.0 69 70 A V < - 0 0 82 -3,-0.7 9,-2.4 -4,-0.2 10,-0.3 -0.943 60.8-153.1-120.0 133.5 27.3 37.0 12.9 70 71 A I - 0 0 106 -2,-0.4 7,-0.2 7,-0.3 -3,-0.0 -0.900 15.0-126.4-113.0 129.4 28.4 34.3 10.4 71 72 A P > - 0 0 29 0, 0.0 3,-1.6 0, 0.0 5,-0.1 -0.348 27.2-113.4 -63.8 153.3 28.2 30.5 10.9 72 73 A G T 3 S+ 0 0 89 1,-0.3 112,-0.0 3,-0.1 -2,-0.0 0.755 116.4 49.6 -55.8 -28.7 31.3 28.3 10.4 73 74 A N T 3 S+ 0 0 51 2,-0.0 -1,-0.3 173,-0.0 2,-0.2 0.240 111.9 51.8 -99.8 14.4 29.8 26.7 7.3 74 75 A A < - 0 0 32 -3,-1.6 4,-0.1 2,-0.1 -4,-0.1 -0.811 61.3-144.2-139.5 177.6 28.8 29.9 5.5 75 76 A D S S+ 0 0 139 -2,-0.2 2,-0.3 2,-0.1 -3,-0.1 0.287 82.9 63.5-127.8 2.8 30.0 33.4 4.4 76 77 A V S S- 0 0 34 1,-0.1 -8,-0.1 -5,-0.1 -2,-0.1 -0.816 97.0 -76.8-119.7 168.4 26.8 35.4 5.1 77 78 A S > - 0 0 16 -2,-0.3 4,-2.1 -10,-0.2 -7,-0.3 -0.193 34.5-120.0 -62.2 151.5 25.0 36.1 8.3 78 79 A I H > S+ 0 0 48 -9,-2.4 4,-2.4 -12,-0.4 5,-0.2 0.884 115.7 58.6 -57.4 -34.7 22.8 33.5 10.0 79 80 A Y H > S+ 0 0 19 -13,-1.5 4,-2.7 -10,-0.3 5,-0.2 0.936 105.3 48.5 -59.8 -47.0 19.9 36.0 9.5 80 81 A E H > S+ 0 0 102 -14,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 111.4 49.1 -60.2 -44.3 20.4 36.0 5.8 81 82 A I H X S+ 0 0 4 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.933 114.7 44.6 -61.8 -48.6 20.5 32.2 5.4 82 83 A M H X S+ 0 0 15 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.881 112.8 49.9 -66.5 -41.1 17.4 31.7 7.5 83 84 A E H < S+ 0 0 114 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.898 113.8 48.6 -61.7 -37.2 15.5 34.5 5.7 84 85 A R H < S+ 0 0 100 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.902 120.3 33.8 -68.2 -43.5 16.5 32.9 2.4 85 86 A C H < S+ 0 0 1 -4,-2.3 -54,-0.7 -5,-0.1 -2,-0.2 0.639 88.4 116.8 -92.1 -15.1 15.5 29.3 3.3 86 87 A A < - 0 0 32 -4,-2.0 2,-0.4 -5,-0.2 -31,-0.1 -0.266 52.3-145.7 -65.9 135.3 12.5 29.8 5.5 87 88 A L - 0 0 7 1,-0.1 -31,-0.3 -55,-0.1 -55,-0.1 -0.820 20.7-124.9 -95.1 139.6 9.1 28.5 4.4 88 89 A N > - 0 0 82 -2,-0.4 4,-2.5 -57,-0.2 5,-0.2 -0.121 32.3 -94.6 -76.6 177.5 6.1 30.5 5.4 89 90 A E H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.915 124.0 51.1 -62.5 -43.0 3.2 29.1 7.4 90 91 A E H > S+ 0 0 107 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.912 113.5 45.3 -57.6 -45.4 1.1 28.3 4.3 91 92 A D H > S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.885 110.9 52.0 -70.3 -43.5 4.0 26.4 2.6 92 93 A E H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.875 107.6 52.7 -61.2 -37.6 5.0 24.5 5.8 93 94 A I H X S+ 0 0 83 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.957 110.6 48.0 -61.7 -46.8 1.4 23.3 6.2 94 95 A K H X S+ 0 0 102 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.877 110.0 53.1 -62.0 -36.7 1.4 22.0 2.5 95 96 A L H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.922 108.9 48.5 -63.4 -42.9 4.8 20.3 3.2 96 97 A K H X S+ 0 0 32 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.915 112.1 48.6 -62.4 -45.5 3.4 18.5 6.2 97 98 A E H X S+ 0 0 123 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.883 110.3 52.2 -59.0 -39.9 0.4 17.3 4.3 98 99 A Y H X S+ 0 0 42 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.931 109.4 48.6 -67.3 -44.4 2.6 16.2 1.4 99 100 A V H ><>S+ 0 0 0 -4,-2.4 5,-1.9 1,-0.2 3,-0.6 0.924 113.8 47.0 -56.9 -45.6 4.8 14.1 3.7 100 101 A E H ><5S+ 0 0 85 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.849 104.4 59.5 -70.0 -36.1 1.7 12.5 5.3 101 102 A S H 3<5S+ 0 0 68 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.772 102.8 55.4 -59.0 -27.6 0.2 11.8 1.9 102 103 A K T <<5S- 0 0 66 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.331 123.0-110.2 -85.5 4.9 3.3 9.7 1.2 103 104 A G T < 5S+ 0 0 73 -3,-2.0 2,-0.2 1,-0.3 -3,-0.2 0.652 78.2 127.2 75.0 15.6 2.6 7.7 4.4 104 105 A M < - 0 0 11 -5,-1.9 2,-0.4 -6,-0.2 -1,-0.3 -0.591 63.4-109.5 -98.8 162.7 5.5 9.2 6.3 105 106 A I E -d 50 0B 24 -56,-2.6 -54,-2.5 -2,-0.2 2,-0.5 -0.795 27.5-148.9 -92.2 132.9 5.6 11.0 9.7 106 107 A F E +d 51 0B 0 -2,-0.4 2,-0.3 -56,-0.2 20,-0.2 -0.933 26.0 158.3-105.6 124.7 6.3 14.7 9.7 107 108 A I E -d 52 0B 0 -56,-1.9 -54,-2.3 -2,-0.5 2,-0.3 -0.842 14.4-168.3-130.1 170.3 8.1 16.3 12.6 108 109 A S E -de 53 127B 0 18,-0.6 20,-2.1 -2,-0.3 -54,-0.2 -0.979 23.7-119.4-153.2 162.8 10.1 19.6 12.9 109 110 A T E -d 54 0B 3 -56,-1.2 -54,-2.8 -2,-0.3 2,-0.4 -0.962 24.9-148.2-104.8 116.9 12.4 21.6 15.0 110 111 A P E -d 55 0B 2 0, 0.0 20,-0.4 0, 0.0 -54,-0.1 -0.685 10.5-170.9 -78.5 132.8 11.1 25.0 16.2 111 112 A F + 0 0 44 -56,-1.5 2,-0.3 -2,-0.4 -55,-0.1 0.229 69.8 26.1-100.4 11.4 13.9 27.6 16.6 112 113 A S S > S- 0 0 4 -57,-0.2 4,-2.4 1,-0.1 5,-0.1 -0.981 83.8-102.5-161.7 161.8 11.6 30.0 18.3 113 114 A R H > S+ 0 0 148 -53,-0.4 4,-2.4 -2,-0.3 5,-0.2 0.927 122.2 50.9 -53.1 -51.3 8.5 30.5 20.3 114 115 A A H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.874 111.0 49.7 -59.9 -36.8 6.5 31.6 17.2 115 116 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.913 109.3 51.2 -65.3 -46.1 7.7 28.4 15.4 116 117 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.903 111.4 47.7 -58.1 -42.1 6.7 26.2 18.3 117 118 A L H X S+ 0 0 62 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.846 108.3 54.7 -70.8 -34.4 3.3 27.7 18.4 118 119 A R H X S+ 0 0 20 -4,-1.8 4,-1.5 -5,-0.2 3,-0.4 0.953 110.6 46.7 -60.3 -47.3 2.9 27.3 14.6 119 120 A L H X>S+ 0 0 0 -4,-2.5 5,-1.2 1,-0.3 4,-1.2 0.862 107.4 55.6 -66.7 -37.1 3.8 23.5 15.0 120 121 A Q H <5S+ 0 0 87 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.831 106.5 51.9 -59.7 -36.3 1.3 23.1 17.8 121 122 A R H <5S+ 0 0 149 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.844 110.2 47.9 -67.9 -34.4 -1.4 24.5 15.5 122 123 A M H <5S- 0 0 20 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.654 108.7-135.2 -77.1 -19.8 -0.4 21.9 12.9 123 124 A D T <5 - 0 0 102 -4,-1.2 -3,-0.2 -5,-0.2 -2,-0.1 0.936 27.0-168.6 68.3 53.7 -0.5 19.3 15.7 124 125 A I < - 0 0 0 -5,-1.2 -1,-0.1 1,-0.1 -17,-0.1 -0.413 25.2-124.7 -74.8 152.0 2.7 17.4 14.9 125 126 A P S S+ 0 0 26 0, 0.0 -116,-0.4 0, 0.0 2,-0.3 0.651 84.1 3.1 -76.6 -18.2 3.3 14.1 16.8 126 127 A A - 0 0 0 -20,-0.2 -18,-0.6 22,-0.2 2,-0.4 -0.962 69.4-126.9-159.5 156.8 6.6 14.9 18.4 127 128 A Y E -ef 108 150B 4 22,-2.4 24,-2.7 -2,-0.3 2,-0.4 -0.939 8.6-150.7-115.9 135.0 9.1 17.8 18.7 128 129 A K E - f 0 151B 7 -20,-2.1 2,-0.5 -2,-0.4 24,-0.2 -0.808 9.3-160.7 -95.9 138.1 12.8 18.0 17.9 129 130 A I E - f 0 152B 3 22,-2.5 24,-2.7 -2,-0.4 -18,-0.1 -0.988 18.0-134.0-117.5 124.4 14.8 20.5 19.9 130 131 A G >> - 0 0 9 -2,-0.5 3,-1.3 -20,-0.4 4,-0.6 -0.282 23.2-106.3 -76.2 163.1 18.1 21.4 18.2 131 132 A S G >4 S+ 0 0 5 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.827 119.0 60.6 -57.5 -34.6 21.4 21.6 20.1 132 133 A G G 34 S+ 0 0 40 1,-0.2 -1,-0.3 2,-0.1 3,-0.3 0.780 111.2 41.1 -60.4 -30.0 21.4 25.4 19.9 133 134 A E G X4 S+ 0 0 29 -3,-1.3 3,-1.4 1,-0.2 -1,-0.2 0.395 82.5 100.3 -98.6 0.3 18.2 25.3 22.0 134 135 A C T << S+ 0 0 0 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.1 0.842 95.2 37.0 -55.0 -32.5 19.2 22.5 24.4 135 136 A N T 3 S+ 0 0 85 -4,-0.4 2,-2.0 -3,-0.3 -1,-0.3 0.359 86.3 106.4-105.5 6.4 19.9 25.3 26.9 136 137 A N <> + 0 0 59 -3,-1.4 4,-2.5 1,-0.2 3,-0.5 -0.530 46.9 175.7 -77.7 73.1 17.0 27.6 25.9 137 138 A Y H > S+ 0 0 41 -2,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.862 72.0 54.1 -55.5 -41.0 15.0 26.7 29.0 138 139 A P H > S+ 0 0 94 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.901 112.0 45.3 -57.4 -42.5 12.1 29.1 28.3 139 140 A L H > S+ 0 0 10 -3,-0.5 4,-2.9 2,-0.2 5,-0.2 0.915 111.3 52.3 -68.9 -41.4 11.6 27.5 24.8 140 141 A I H X S+ 0 0 0 -4,-2.5 4,-3.1 -7,-0.2 5,-0.3 0.939 107.5 53.0 -59.0 -46.0 11.9 24.0 26.2 141 142 A K H X S+ 0 0 109 -4,-2.8 4,-1.6 -5,-0.2 -1,-0.2 0.916 111.3 46.5 -53.3 -45.8 9.2 24.8 28.8 142 143 A L H < S+ 0 0 45 -4,-1.7 4,-0.4 2,-0.2 3,-0.3 0.955 114.2 45.8 -62.5 -52.8 6.9 26.0 26.0 143 144 A V H >< S+ 0 0 1 -4,-2.9 3,-1.7 1,-0.2 5,-0.4 0.907 111.2 52.6 -59.5 -42.6 7.4 23.0 23.8 144 145 A A H >< S+ 0 0 2 -4,-3.1 3,-1.5 1,-0.3 -1,-0.2 0.841 98.3 66.7 -66.9 -28.2 7.1 20.5 26.7 145 146 A S T 3< S+ 0 0 79 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.636 84.9 73.0 -63.4 -14.7 3.7 22.2 27.6 146 147 A F T < S- 0 0 25 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.701 101.8-130.0 -76.5 -18.3 2.3 20.9 24.3 147 148 A G < + 0 0 52 -3,-1.5 -3,-0.1 1,-0.3 -2,-0.1 0.674 64.8 120.1 84.8 16.9 2.2 17.3 25.7 148 149 A K S S- 0 0 66 -5,-0.4 -1,-0.3 1,-0.1 -22,-0.2 -0.775 72.4 -87.6-110.2 156.0 4.0 15.5 22.9 149 150 A P - 0 0 15 0, 0.0 -22,-2.4 0, 0.0 2,-0.4 -0.226 42.4-142.7 -59.7 155.2 7.3 13.5 23.1 150 151 A I E -fg 127 176B 0 25,-1.7 27,-2.3 -24,-0.2 2,-0.6 -0.974 11.6-158.3-126.5 135.3 10.5 15.5 22.7 151 152 A I E -fg 128 177B 0 -24,-2.7 -22,-2.5 -2,-0.4 2,-0.6 -0.973 21.9-162.6-111.2 113.9 13.7 14.4 21.0 152 153 A L E -fg 129 178B 0 25,-2.9 27,-3.0 -2,-0.6 2,-0.3 -0.874 9.7-150.0-108.5 115.8 16.4 16.6 22.4 153 154 A S E - g 0 179B 2 -24,-2.7 27,-0.2 -2,-0.6 -19,-0.1 -0.642 8.5-164.2 -77.6 146.3 19.8 17.1 20.7 154 155 A T > + 0 0 7 25,-2.1 3,-1.2 -2,-0.3 27,-0.1 0.133 31.8 139.4-126.8 17.5 22.5 17.7 23.2 155 156 A G T 3 S+ 0 0 1 1,-0.2 27,-0.2 24,-0.2 -21,-0.2 -0.230 71.0 19.3 -59.4 154.1 25.5 19.1 21.3 156 157 A M T 3 S+ 0 0 132 25,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.503 107.5 101.3 68.0 9.9 27.5 22.0 22.8 157 158 A N < - 0 0 29 -3,-1.2 -1,-0.1 3,-0.0 2,-0.1 -0.948 65.0-129.3-132.2 143.9 26.2 21.2 26.2 158 159 A S > - 0 0 64 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.430 33.2-108.3 -79.7 160.1 27.4 19.4 29.4 159 160 A I H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.920 121.5 57.8 -48.0 -46.5 25.5 16.7 31.3 160 161 A E H > S+ 0 0 157 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.916 110.0 41.5 -54.6 -45.1 25.0 19.4 34.0 161 162 A S H >> S+ 0 0 22 1,-0.2 4,-0.9 2,-0.2 3,-0.5 0.860 111.5 55.1 -76.1 -30.9 23.3 21.8 31.6 162 163 A I H 3X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 3,-0.4 0.865 97.0 67.5 -67.3 -34.9 21.3 19.0 30.0 163 164 A K H 3X S+ 0 0 140 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.854 96.7 53.4 -53.3 -38.0 19.9 18.0 33.4 164 165 A K H S+ 0 0 0 -4,-2.2 5,-1.3 2,-0.2 4,-1.3 0.950 112.4 48.6 -62.2 -46.9 10.6 17.7 30.3 170 171 A R H <5S+ 0 0 105 -4,-3.4 3,-0.3 1,-0.2 -2,-0.2 0.896 109.0 53.3 -63.4 -38.9 10.0 15.4 33.2 171 172 A E H <5S+ 0 0 151 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.832 106.4 52.8 -62.2 -36.3 7.9 18.0 35.0 172 173 A A H <5S- 0 0 46 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.733 111.0-129.1 -70.5 -25.0 5.7 18.3 31.9 173 174 A G T <5 + 0 0 62 -4,-1.3 -3,-0.2 -3,-0.3 -2,-0.1 0.795 59.1 134.5 83.5 29.6 5.3 14.5 32.0 174 175 A V < - 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0 0 75 -2,-1.2 -2,-0.1 4,-0.0 3,-0.1 -0.994 67.8-117.3-128.0 132.6 30.5 21.2 13.4 185 186 A Y S S+ 0 0 73 -2,-0.4 2,-0.1 1,-0.3 30,-0.1 -0.822 107.2 13.1-117.5 95.0 29.5 21.1 9.7 186 187 A P S S- 0 0 53 0, 0.0 -1,-0.3 0, 0.0 29,-0.2 0.498 94.3-146.9 -90.1 164.3 31.1 18.7 8.7 187 188 A T - 0 0 6 27,-2.3 29,-0.4 -2,-0.1 2,-0.1 -0.784 14.2-128.3 -95.7 125.9 32.2 16.9 11.9 188 189 A P > - 0 0 54 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.437 23.9-116.3 -67.6 149.6 35.6 15.1 11.8 189 190 A Y G > S+ 0 0 139 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.896 113.6 62.5 -53.6 -40.8 35.4 11.4 12.9 190 191 A E G 3 S+ 0 0 165 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.681 101.1 52.5 -61.9 -17.6 37.7 12.3 15.9 191 192 A D G < S+ 0 0 59 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.486 85.3 85.3 -95.5 -2.8 35.2 14.7 17.3 192 193 A V < - 0 0 11 -3,-1.7 4,-0.2 -4,-0.4 -1,-0.1 0.850 64.8-169.7 -69.2 -39.4 32.2 12.3 17.4 193 194 A R > - 0 0 145 -4,-0.4 3,-2.6 -3,-0.2 4,-0.3 0.930 5.4-168.1 46.8 65.5 33.0 10.7 20.8 194 195 A L T > S+ 0 0 47 1,-0.3 3,-2.1 2,-0.2 4,-0.5 0.771 79.8 75.1 -53.3 -26.1 30.5 7.9 20.6 195 196 A G T >> S+ 0 0 39 1,-0.3 4,-1.9 2,-0.2 3,-0.6 0.746 76.8 78.7 -57.9 -20.9 31.2 7.2 24.3 196 197 A G H <> S+ 0 0 11 -3,-2.6 4,-2.0 1,-0.2 -1,-0.3 0.785 84.7 60.7 -56.8 -30.6 29.0 10.3 24.9 197 198 A M H <> S+ 0 0 7 -3,-2.1 4,-2.2 -4,-0.3 -1,-0.2 0.887 103.8 48.1 -64.6 -41.8 26.0 8.1 24.4 198 199 A N H <> S+ 0 0 64 -3,-0.6 4,-2.2 -4,-0.5 -2,-0.2 0.892 109.4 54.3 -61.6 -42.9 27.0 5.9 27.4 199 200 A D H X S+ 0 0 93 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.904 110.2 47.1 -59.5 -42.5 27.5 9.1 29.4 200 201 A L H X S+ 0 0 5 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.926 111.7 47.6 -67.9 -44.0 24.0 10.2 28.6 201 202 A S H < S+ 0 0 29 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.873 112.4 51.7 -65.7 -34.9 22.2 6.9 29.3 202 203 A E H < S+ 0 0 145 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.909 115.5 39.9 -64.6 -42.5 24.1 6.7 32.6 203 204 A A H < S+ 0 0 42 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.794 126.6 35.0 -76.1 -29.9 23.0 10.2 33.7 204 205 A F >< + 0 0 6 -4,-2.2 3,-2.0 -5,-0.2 -1,-0.2 -0.688 65.0 175.3-131.9 77.1 19.5 9.9 32.4 205 206 A P T 3 S+ 0 0 89 0, 0.0 -201,-0.1 0, 0.0 -1,-0.1 0.592 79.2 55.2 -62.2 -17.6 18.2 6.3 32.8 206 207 A D T 3 S+ 0 0 66 2,-0.1 -30,-0.3 -204,-0.1 2,-0.3 0.471 88.1 103.6 -95.0 -4.1 14.7 7.1 31.5 207 208 A A S < S- 0 0 1 -3,-2.0 2,-0.4 -7,-0.2 -30,-0.2 -0.565 70.1-131.7 -78.0 138.3 15.9 8.6 28.2 208 209 A I E -h 177 0B 6 -32,-2.0 -30,-2.9 -2,-0.3 2,-0.4 -0.780 36.6-144.6 -74.9 132.1 15.7 7.0 24.8 209 210 A I E +h 178 0B 13 -2,-0.4 21,-2.8 19,-0.2 22,-0.5 -0.840 31.8 143.2-111.7 140.3 19.3 7.5 23.5 210 211 A G E -h 179 0B 0 -32,-2.2 -30,-2.5 -2,-0.4 2,-0.4 -0.764 38.9-104.2-150.2-165.9 20.4 8.2 19.9 211 212 A L E -hi 180 232B 2 20,-2.4 22,-2.0 -32,-0.3 2,-0.5 -1.000 10.6-161.5-138.0 134.0 22.8 10.1 17.7 212 213 A S E - 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