==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-JAN-13 4IPI . COMPND 2 MOLECULE: POLYSIALIC ACID CAPSULE BIOSYNTHESIS PROTEIN SIAC . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR D.D.A.JOSEPH,W.JIAO,E.J.PARKER . 351 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16997.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 11.4 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 . 19 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 26.5 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 2 2 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 -1 A G > 0 0 85 0, 0.0 3,-1.3 0, 0.0 200,-0.0 0.000 360.0 360.0 360.0 -28.8 91.5 1.4 69.5 2 0 A A T 3 + 0 0 34 1,-0.3 199,-0.0 199,-0.0 200,-0.0 0.840 360.0 50.6 -56.4 -41.4 93.5 -1.9 69.6 3 1 A M T 3 S+ 0 0 2 1,-0.2 2,-1.4 227,-0.1 -1,-0.3 0.715 91.8 80.7 -72.8 -20.0 94.4 -1.9 65.9 4 2 A Q S < S+ 0 0 79 -3,-1.3 2,-0.2 2,-0.1 -1,-0.2 -0.690 74.8 122.8 -87.7 88.3 95.7 1.7 66.0 5 3 A N S S- 0 0 25 -2,-1.4 14,-0.2 226,-0.1 13,-0.1 -0.836 72.2-114.3-144.2 173.1 99.1 0.8 67.5 6 4 A N + 0 0 126 -2,-0.2 205,-0.1 12,-0.1 -2,-0.1 0.211 61.6 138.0-100.0 13.9 102.9 1.1 67.0 7 5 A N + 0 0 39 203,-0.2 11,-0.6 201,-0.1 12,-0.4 -0.358 26.2 154.4 -64.5 137.5 103.6 -2.6 66.7 8 6 A E E +A 17 0A 114 9,-0.2 2,-0.3 201,-0.1 9,-0.2 -0.994 22.1 172.2-157.8 155.4 106.0 -3.4 63.9 9 7 A F E -A 16 0A 12 7,-1.5 7,-2.8 -2,-0.3 2,-0.4 -0.950 30.0-112.0-153.5 172.0 108.6 -5.8 62.5 10 8 A K E -A 15 0A 120 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.879 6.3-158.5-110.7 142.0 110.6 -6.2 59.3 11 9 A I E > S-A 14 0A 2 3,-2.7 3,-2.0 -2,-0.4 2,-0.4 -0.949 82.4 -50.2-108.9 101.6 110.5 -8.8 56.6 12 10 A G T 3 S- 0 0 47 -2,-0.6 -2,-0.0 116,-0.4 115,-0.0 -0.563 125.1 -21.7 61.2-122.7 113.9 -8.4 55.2 13 11 A N T 3 S+ 0 0 142 -2,-0.4 2,-0.7 -3,-0.1 -1,-0.3 0.460 117.7 101.3 -92.4 -0.6 114.1 -4.6 54.7 14 12 A R E < -A 11 0A 27 -3,-2.0 -3,-2.7 38,-0.0 2,-0.3 -0.763 61.7-149.4 -96.2 113.0 110.3 -4.1 54.6 15 13 A S E -A 10 0A 32 -2,-0.7 2,-0.3 -5,-0.2 -5,-0.2 -0.612 14.4-167.4 -78.3 134.4 108.7 -2.7 57.7 16 14 A V E +A 9 0A 0 -7,-2.8 -7,-1.5 -2,-0.3 2,-0.2 -0.930 32.2 90.8-122.0 149.7 105.1 -3.9 58.4 17 15 A G E > S-A 8 0A 0 -2,-0.3 3,-2.2 216,-0.3 -9,-0.2 -0.761 84.7 -65.5 147.0 169.3 102.7 -2.5 61.0 18 16 A Y T 3 S+ 0 0 26 -11,-0.6 -12,-0.1 1,-0.3 -1,-0.1 0.788 129.0 51.1 -54.4 -35.6 99.9 0.1 61.4 19 17 A N T 3 S+ 0 0 84 -12,-0.4 -1,-0.3 -14,-0.2 2,-0.2 0.361 105.5 71.3 -86.7 7.4 102.4 3.1 60.9 20 18 A H S < S- 0 0 50 -3,-2.2 -3,-0.1 1,-0.1 -4,-0.1 -0.698 98.7 -80.3-117.2 167.4 103.7 1.6 57.7 21 19 A E - 0 0 64 -2,-0.2 -4,-0.2 -6,-0.2 246,-0.1 -0.456 59.7-100.4 -61.6 137.1 102.4 1.2 54.2 22 20 A P - 0 0 5 0, 0.0 2,-0.5 0, 0.0 212,-0.2 -0.296 36.1-133.6 -57.9 148.7 100.1 -1.9 54.1 23 21 A L E -b 234 0B 0 210,-2.4 212,-3.2 -3,-0.1 2,-0.6 -0.937 10.8-153.3-110.8 125.9 101.8 -4.9 52.6 24 22 A I E -b 235 0B 8 -2,-0.5 29,-0.7 210,-0.2 2,-0.6 -0.886 7.0-152.8-100.7 120.1 100.1 -7.0 50.0 25 23 A I E -bc 236 53B 0 210,-3.4 212,-1.5 -2,-0.6 2,-1.0 -0.837 6.3-148.0 -92.9 118.5 101.2 -10.7 49.8 26 24 A C E -bc 237 54B 0 27,-2.0 29,-2.8 -2,-0.6 2,-1.2 -0.788 14.1-158.0 -87.5 100.4 100.7 -12.2 46.3 27 25 A E E +bc 238 55B 8 210,-2.3 212,-2.1 -2,-1.0 29,-0.2 -0.673 22.3 171.7 -87.8 92.1 100.0 -15.8 47.2 28 26 A I E > + 0 0 4 27,-1.7 3,-2.8 -2,-1.2 4,-0.2 0.852 25.5 158.4 -66.1 -34.2 100.8 -17.8 44.1 29 27 A G E 3 S- c 0 56B 0 26,-1.4 28,-0.7 1,-0.3 3,-0.2 -0.230 72.6 -23.9 57.4-123.9 100.2 -20.9 46.3 30 28 A I T > S+ 0 0 7 1,-0.1 3,-2.3 -3,-0.1 -1,-0.3 0.207 104.9 113.0-102.4 11.4 99.5 -23.9 44.1 31 29 A N T < + 0 0 3 -3,-2.8 -1,-0.1 1,-0.3 -2,-0.1 0.702 65.0 68.6 -60.9 -21.4 98.2 -21.8 41.2 32 30 A H T > S- 0 0 2 -3,-0.2 3,-2.0 -4,-0.2 -1,-0.3 0.543 97.5-138.1 -73.5 -8.3 101.2 -22.9 39.0 33 31 A E T < - 0 0 50 -3,-2.3 -2,-0.1 1,-0.3 56,-0.1 0.824 67.5 -54.2 52.7 37.8 99.7 -26.4 38.9 34 32 A G T 3 S+ 0 0 27 54,-0.6 2,-0.5 1,-0.2 -1,-0.3 0.475 109.3 123.2 82.2 3.6 103.2 -27.9 39.4 35 33 A S <> - 0 0 42 -3,-2.0 4,-2.4 1,-0.1 -1,-0.2 -0.874 48.9-161.0-107.3 123.0 104.8 -26.1 36.5 36 34 A L H > S+ 0 0 26 -2,-0.5 4,-2.7 2,-0.2 5,-0.2 0.854 96.1 57.9 -66.7 -34.1 107.9 -23.9 37.1 37 35 A K H > S+ 0 0 140 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.913 109.3 43.3 -59.7 -46.3 107.2 -22.2 33.7 38 36 A T H > S+ 0 0 22 -6,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.921 112.5 54.1 -65.4 -42.7 103.7 -21.2 34.9 39 37 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.912 109.5 47.4 -59.1 -43.2 105.1 -20.1 38.3 40 38 A F H X S+ 0 0 54 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.881 109.0 54.1 -64.6 -38.9 107.7 -17.9 36.5 41 39 A E H X S+ 0 0 56 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.899 111.4 46.1 -61.3 -39.2 104.9 -16.4 34.3 42 40 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.881 110.5 51.6 -71.4 -38.1 103.0 -15.6 37.5 43 41 A V H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.920 109.6 51.6 -61.8 -43.2 106.1 -14.1 39.2 44 42 A D H X S+ 0 0 52 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.931 109.8 48.9 -56.6 -47.3 106.6 -11.9 36.0 45 43 A A H X S+ 0 0 15 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.876 112.2 48.4 -63.5 -38.7 103.0 -10.8 36.2 46 44 A A H X>S+ 0 0 0 -4,-2.2 5,-2.6 2,-0.2 4,-0.6 0.929 112.2 48.7 -65.2 -47.5 103.3 -9.9 40.0 47 45 A Y H ><5S+ 0 0 112 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.945 112.6 46.7 -56.4 -52.5 106.6 -8.0 39.4 48 46 A N H 3<5S+ 0 0 118 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.751 108.3 57.3 -65.3 -23.9 105.2 -6.0 36.5 49 47 A A H 3<5S- 0 0 8 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.585 124.0-102.3 -81.6 -11.6 102.0 -5.2 38.6 50 48 A G T <<5 + 0 0 26 -3,-1.4 -3,-0.2 -4,-0.6 -2,-0.1 0.622 60.8 166.6 101.3 17.8 104.2 -3.7 41.3 51 49 A A < - 0 0 9 -5,-2.6 -1,-0.2 -6,-0.1 3,-0.1 -0.321 25.0-167.9 -69.4 147.3 104.2 -6.5 43.9 52 50 A E S S+ 0 0 64 -28,-0.5 56,-2.8 1,-0.3 2,-0.4 0.683 72.9 34.2 -99.5 -30.4 106.6 -6.4 46.8 53 51 A V E -cd 25 108B 1 -29,-0.7 -27,-2.0 54,-0.2 2,-0.5 -0.995 56.4-165.4-134.5 133.3 106.2 -10.0 48.0 54 52 A V E -cd 26 109B 2 54,-2.8 56,-1.8 -2,-0.4 2,-0.4 -0.983 16.5-159.2-112.4 127.2 105.4 -13.3 46.4 55 53 A K E -cd 27 110B 0 -29,-2.8 -27,-1.7 -2,-0.5 -26,-1.4 -0.916 7.6-170.3-109.2 135.9 104.3 -16.2 48.7 56 54 A H E -cd 29 111B 3 54,-2.1 56,-1.3 -2,-0.4 2,-0.4 -0.473 21.6-124.2-105.4 174.2 104.6 -19.8 47.8 57 55 A Q E - d 0 112B 15 -28,-0.7 2,-0.7 54,-0.2 33,-0.3 -0.999 19.9-144.9-118.5 131.9 103.3 -23.0 49.5 58 56 A T E - d 0 113B 0 54,-2.9 56,-1.6 -2,-0.4 2,-0.6 -0.863 21.6-174.5-102.3 110.0 105.9 -25.6 50.3 59 57 A H + 0 0 6 -2,-0.7 2,-0.5 31,-0.3 3,-0.1 -0.933 22.6 166.1-116.6 114.8 104.4 -29.1 49.8 60 58 A I >> - 0 0 27 -2,-0.6 4,-1.3 1,-0.1 3,-1.0 -0.916 22.9-162.7-120.8 96.3 106.2 -32.3 50.7 61 59 A V H 3> S+ 0 0 23 -2,-0.5 4,-1.8 1,-0.3 3,-0.3 0.827 80.3 57.5 -59.3 -39.3 103.2 -34.7 50.5 62 60 A E H 34 S+ 0 0 138 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.864 115.7 36.4 -60.7 -37.1 104.7 -37.6 52.4 63 61 A D H <4 S+ 0 0 42 -3,-1.0 53,-0.4 1,-0.1 -1,-0.2 0.593 116.0 53.3 -91.4 -14.8 105.4 -35.4 55.5 64 62 A E H < S+ 0 0 42 -4,-1.3 2,-0.3 -3,-0.3 -2,-0.2 0.747 115.1 21.0 -95.4 -24.4 102.3 -33.3 55.3 65 63 A M < - 0 0 31 -4,-1.8 -1,-0.2 -5,-0.2 2,-0.1 -0.992 65.4-133.0-146.4 149.8 99.5 -35.9 55.1 66 64 A S > - 0 0 72 -2,-0.3 3,-2.3 -3,-0.1 4,-0.3 -0.402 48.6 -87.6 -90.1 175.4 98.9 -39.6 55.9 67 65 A D G > S+ 0 0 108 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.751 121.1 75.9 -60.3 -20.9 97.3 -42.1 53.6 68 66 A E G > S+ 0 0 133 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.814 81.1 70.9 -54.3 -30.3 93.9 -41.0 54.9 69 67 A A G X S+ 0 0 10 -3,-2.3 13,-1.3 1,-0.3 3,-0.8 0.689 83.7 69.0 -64.2 -18.8 94.3 -37.9 52.8 70 68 A K G < S+ 0 0 94 -3,-1.8 -1,-0.3 -4,-0.3 10,-0.2 0.594 101.2 47.2 -72.9 -12.5 93.8 -40.0 49.7 71 69 A Q G < S+ 0 0 155 -3,-2.1 2,-0.4 -4,-0.2 -1,-0.2 0.348 97.1 83.4-108.8 0.5 90.1 -40.5 50.7 72 70 A V < - 0 0 80 -3,-0.8 9,-2.4 -4,-0.2 10,-0.3 -0.944 58.5-157.5-121.4 130.5 89.2 -36.9 51.5 73 71 A I - 0 0 103 -2,-0.4 7,-0.2 7,-0.3 -3,-0.0 -0.835 18.4-124.1-106.2 130.8 88.1 -34.2 49.1 74 72 A P > - 0 0 30 0, 0.0 3,-1.4 0, 0.0 5,-0.1 -0.309 27.9-110.8 -64.7 159.0 88.3 -30.4 49.7 75 73 A G T 3 S+ 0 0 93 1,-0.3 112,-0.0 3,-0.1 -2,-0.0 0.746 117.3 47.6 -61.7 -24.9 85.2 -28.2 49.4 76 74 A N T 3 S+ 0 0 44 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 -0.031 111.9 51.6-108.6 26.0 86.5 -26.5 46.2 77 75 A A < - 0 0 18 -3,-1.4 4,-0.1 2,-0.0 -4,-0.1 -0.930 62.3-142.1-149.4 174.4 87.6 -29.7 44.4 78 76 A D S S+ 0 0 154 -2,-0.3 2,-0.3 2,-0.1 -5,-0.1 0.192 82.8 62.6-128.6 13.4 86.3 -33.1 43.3 79 77 A V S S- 0 0 48 1,-0.1 -8,-0.1 -5,-0.1 -2,-0.0 -0.846 96.8 -76.0-127.8 168.2 89.5 -35.2 43.8 80 78 A S > - 0 0 16 -2,-0.3 4,-2.0 -10,-0.2 -7,-0.3 -0.209 32.9-121.5 -64.0 152.6 91.4 -35.9 47.0 81 79 A I H > S+ 0 0 46 -9,-2.4 4,-2.6 -12,-0.5 5,-0.2 0.852 115.7 58.8 -60.4 -33.3 93.7 -33.3 48.7 82 80 A Y H > S+ 0 0 34 -13,-1.3 4,-2.7 -10,-0.3 5,-0.2 0.946 105.3 47.1 -60.0 -49.8 96.5 -35.9 48.2 83 81 A E H > S+ 0 0 105 -14,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.882 112.8 50.1 -59.6 -40.5 96.0 -35.9 44.4 84 82 A I H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.944 114.3 42.9 -64.6 -47.0 95.9 -32.1 44.3 85 83 A M H X S+ 0 0 15 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.874 112.5 52.2 -73.6 -35.3 99.1 -31.7 46.3 86 84 A E H < S+ 0 0 114 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.891 113.5 46.2 -62.5 -38.7 100.9 -34.4 44.5 87 85 A R H < S+ 0 0 100 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.881 121.9 34.4 -69.2 -40.5 100.0 -32.8 41.2 88 86 A C H < S+ 0 0 1 -4,-2.2 -54,-0.6 -5,-0.1 -2,-0.2 0.653 87.1 116.3 -93.8 -18.5 100.9 -29.2 42.2 89 87 A A < - 0 0 32 -4,-2.2 2,-0.4 -5,-0.2 -31,-0.1 -0.265 53.8-145.2 -62.6 131.4 103.9 -29.7 44.5 90 88 A L - 0 0 4 -33,-0.3 -31,-0.3 -55,-0.1 -1,-0.1 -0.825 19.6-126.7 -90.7 136.1 107.3 -28.3 43.4 91 89 A N > - 0 0 85 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.149 33.6 -93.1 -72.0 175.4 110.3 -30.4 44.4 92 90 A E H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.903 123.5 49.6 -61.3 -44.3 113.2 -28.9 46.3 93 91 A E H > S+ 0 0 129 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.936 113.5 46.3 -61.8 -46.1 115.3 -27.9 43.2 94 92 A D H > S+ 0 0 40 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.863 111.6 51.2 -65.1 -36.0 112.4 -26.3 41.5 95 93 A E H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.878 107.9 52.3 -71.5 -35.2 111.4 -24.4 44.6 96 94 A I H X S+ 0 0 80 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.910 109.7 49.6 -62.4 -42.9 114.9 -23.1 45.1 97 95 A K H X S+ 0 0 93 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.857 109.0 53.8 -62.9 -35.6 114.8 -21.8 41.4 98 96 A L H X S+ 0 0 4 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.913 108.1 48.1 -64.7 -43.5 111.5 -20.2 42.2 99 97 A K H X S+ 0 0 21 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.908 112.9 49.0 -62.5 -42.9 112.9 -18.3 45.2 100 98 A E H X S+ 0 0 120 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.888 110.6 50.6 -64.4 -41.1 115.9 -17.2 43.1 101 99 A Y H X S+ 0 0 44 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.927 110.4 48.8 -63.6 -44.8 113.6 -16.0 40.3 102 100 A V H ><>S+ 0 0 0 -4,-2.4 5,-1.8 1,-0.2 3,-1.0 0.933 114.0 45.9 -60.3 -45.5 111.4 -14.0 42.7 103 101 A E H ><5S+ 0 0 91 -4,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.820 103.3 63.3 -69.1 -30.3 114.5 -12.3 44.2 104 102 A S H 3<5S+ 0 0 63 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.681 101.6 53.4 -66.0 -17.7 116.0 -11.7 40.7 105 103 A K T <<5S- 0 0 70 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.290 122.9-108.8 -95.7 7.7 112.9 -9.4 40.2 106 104 A G T < 5S+ 0 0 75 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.659 79.1 126.3 75.1 16.8 113.7 -7.5 43.4 107 105 A M < - 0 0 11 -5,-1.8 2,-0.4 -54,-0.0 -1,-0.3 -0.649 63.8-107.5-103.8 162.6 110.8 -9.0 45.3 108 106 A I E -d 53 0B 29 -56,-2.8 -54,-2.8 -2,-0.2 2,-0.5 -0.736 27.1-150.6 -89.6 133.8 110.6 -10.8 48.6 109 107 A F E +d 54 0B 1 -2,-0.4 2,-0.3 -56,-0.2 20,-0.2 -0.938 26.4 155.6-105.1 124.3 110.0 -14.6 48.6 110 108 A I E -d 55 0B 1 -56,-1.8 -54,-2.1 -2,-0.5 2,-0.3 -0.858 17.0-165.2-130.7 172.7 108.3 -16.2 51.6 111 109 A S E -de 56 130B 0 18,-0.6 20,-2.0 -2,-0.3 -54,-0.2 -0.971 23.0-117.6-153.0 165.9 106.3 -19.4 51.8 112 110 A T E -d 57 0B 3 -56,-1.3 -54,-2.9 -2,-0.3 2,-0.4 -0.956 26.0-147.8-107.2 115.0 103.9 -21.5 53.9 113 111 A P E -d 58 0B 2 0, 0.0 20,-0.3 0, 0.0 -54,-0.1 -0.731 11.2-171.2 -80.5 133.2 105.3 -24.8 55.1 114 112 A F S S+ 0 0 44 -56,-1.6 2,-0.3 -2,-0.4 -55,-0.1 0.286 70.5 26.1-101.5 7.3 102.5 -27.4 55.3 115 113 A S S > S- 0 0 4 -57,-0.2 4,-2.1 1,-0.1 -51,-0.1 -0.967 82.8-104.0-156.3 167.6 104.9 -29.9 57.1 116 114 A R H > S+ 0 0 149 -53,-0.4 4,-2.5 -2,-0.3 5,-0.2 0.927 122.2 51.4 -58.8 -49.0 108.0 -30.3 59.2 117 115 A A H > S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.897 110.4 49.3 -56.8 -42.9 110.0 -31.4 56.1 118 116 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.897 109.3 52.1 -62.9 -42.2 108.7 -28.3 54.3 119 117 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.928 110.1 48.2 -60.1 -46.7 109.7 -26.0 57.3 120 118 A L H X S+ 0 0 62 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.871 109.1 53.9 -63.5 -37.9 113.2 -27.5 57.3 121 119 A R H X S+ 0 0 20 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.943 110.2 46.8 -60.8 -46.9 113.5 -27.0 53.5 122 120 A L H X>S+ 0 0 0 -4,-2.3 5,-1.4 1,-0.2 4,-0.8 0.825 108.3 55.4 -66.0 -32.1 112.6 -23.3 53.9 123 121 A Q H <5S+ 0 0 87 -4,-1.9 3,-0.5 2,-0.2 -1,-0.2 0.904 106.6 50.7 -66.2 -41.7 115.1 -22.9 56.8 124 122 A R H <5S+ 0 0 152 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.864 110.1 50.1 -60.0 -37.0 117.9 -24.2 54.5 125 123 A M H <5S- 0 0 23 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.650 107.9-135.9 -74.6 -17.3 116.7 -21.7 51.9 126 124 A D T <5 - 0 0 108 -4,-0.8 -3,-0.2 -3,-0.5 -2,-0.1 0.942 27.2-169.2 62.1 52.8 116.9 -19.0 54.7 127 125 A I < - 0 0 0 -5,-1.4 -1,-0.1 1,-0.1 -17,-0.1 -0.409 25.4-125.2 -71.0 152.5 113.6 -17.2 53.9 128 126 A P S S+ 0 0 32 0, 0.0 -116,-0.4 0, 0.0 2,-0.3 0.616 84.1 3.8 -80.8 -12.7 113.1 -13.9 55.8 129 127 A A - 0 0 0 -20,-0.2 -18,-0.6 22,-0.2 2,-0.4 -0.957 68.8-127.9-166.1 154.7 109.7 -14.8 57.4 130 128 A Y E -ef 111 153B 3 22,-2.4 24,-3.0 -2,-0.3 2,-0.4 -0.924 9.3-151.6-116.2 137.2 107.3 -17.7 57.6 131 129 A K E - f 0 154B 6 -20,-2.0 2,-0.5 -2,-0.4 24,-0.2 -0.878 7.4-159.2-100.9 136.6 103.6 -17.9 56.9 132 130 A I E - f 0 155B 3 22,-2.7 24,-2.9 -2,-0.4 -18,-0.1 -0.982 18.2-135.3-115.3 121.0 101.5 -20.4 58.8 133 131 A G > - 0 0 9 -2,-0.5 3,-1.6 -20,-0.3 4,-0.4 -0.261 23.6-106.7 -74.2 162.7 98.3 -21.3 57.1 134 132 A S G > S+ 0 0 4 1,-0.3 3,-0.9 2,-0.2 4,-0.4 0.809 118.9 61.4 -61.8 -31.6 94.9 -21.5 58.8 135 133 A G G 3 S+ 0 0 42 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.760 111.8 39.2 -63.2 -24.6 95.0 -25.3 58.5 136 134 A E G X S+ 0 0 28 -3,-1.6 3,-1.6 1,-0.1 -1,-0.2 0.330 83.9 101.2-107.1 3.8 98.2 -25.3 60.6 137 135 A C T < S+ 0 0 0 -3,-0.9 -1,-0.1 -4,-0.4 -2,-0.1 0.825 91.8 39.9 -60.6 -32.6 97.2 -22.6 63.1 138 136 A N T 3 S+ 0 0 88 -4,-0.4 2,-1.7 -3,-0.2 -1,-0.3 0.318 86.6 105.5 -97.7 7.0 96.4 -25.3 65.7 139 137 A N <> + 0 0 61 -3,-1.6 4,-2.4 1,-0.2 3,-0.2 -0.608 45.8 173.7 -85.6 78.0 99.4 -27.5 64.7 140 138 A Y H > S+ 0 0 49 -2,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.871 71.6 54.8 -61.5 -41.0 101.3 -26.5 67.8 141 139 A P H > S+ 0 0 94 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.915 111.6 44.9 -56.8 -43.7 104.2 -29.0 67.1 142 140 A L H > S+ 0 0 12 -3,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.907 112.5 51.1 -66.5 -41.4 104.8 -27.4 63.7 143 141 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.911 107.6 53.4 -63.8 -41.0 104.5 -23.9 65.0 144 142 A K H X S+ 0 0 110 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.901 111.1 47.0 -59.8 -41.1 107.1 -24.7 67.7 145 143 A L H < S+ 0 0 46 -4,-1.7 3,-0.5 2,-0.2 4,-0.5 0.963 114.4 45.6 -64.2 -52.6 109.5 -25.9 65.0 146 144 A V H >< S+ 0 0 1 -4,-2.8 3,-1.6 1,-0.2 5,-0.4 0.905 110.0 53.9 -59.0 -44.0 109.0 -22.9 62.8 147 145 A A H >< S+ 0 0 2 -4,-3.0 3,-1.4 1,-0.3 -1,-0.2 0.813 98.4 65.5 -62.1 -28.9 109.3 -20.4 65.7 148 146 A S T 3< S+ 0 0 79 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.658 84.7 73.8 -67.8 -15.9 112.7 -22.0 66.6 149 147 A F T < S- 0 0 25 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.697 102.8-129.6 -72.1 -19.7 114.1 -20.7 63.2 150 148 A G < + 0 0 48 -3,-1.4 -3,-0.1 1,-0.3 -2,-0.1 0.626 64.5 120.0 84.7 16.0 114.1 -17.2 64.7 151 149 A K S S- 0 0 69 -5,-0.4 -1,-0.3 1,-0.1 -22,-0.2 -0.734 72.5 -85.4-106.6 157.6 112.3 -15.4 61.9 152 150 A P - 0 0 16 0, 0.0 -22,-2.4 0, 0.0 2,-0.4 -0.243 43.1-142.6 -56.7 150.2 109.0 -13.4 62.1 153 151 A I E -fg 130 179B 0 25,-1.8 27,-2.2 -24,-0.2 2,-0.6 -0.969 10.8-158.7-121.2 135.1 105.8 -15.4 61.7 154 152 A I E -fg 131 180B 0 -24,-3.0 -22,-2.7 -2,-0.4 2,-0.6 -0.965 21.0-162.3-109.4 113.1 102.7 -14.4 59.9 155 153 A L E -fg 132 181B 0 25,-3.2 27,-2.9 -2,-0.6 2,-0.3 -0.871 9.8-150.3-107.1 116.6 99.9 -16.6 61.4 156 154 A S E - g 0 182B 2 -24,-2.9 27,-0.2 -2,-0.6 -20,-0.1 -0.646 8.8-164.4 -79.4 145.4 96.6 -17.1 59.6 157 155 A T > + 0 0 7 25,-2.1 3,-1.3 -2,-0.3 26,-0.1 0.162 34.2 135.0-125.0 15.9 93.7 -17.7 62.0 158 156 A G T 3 S+ 0 0 3 1,-0.2 -21,-0.2 24,-0.2 27,-0.2 -0.258 73.0 21.0 -61.8 153.2 90.8 -19.1 60.1 159 157 A M T 3 S+ 0 0 134 25,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.489 108.3 99.5 68.8 6.1 89.0 -22.1 61.5 160 158 A N < - 0 0 27 -3,-1.3 -1,-0.1 4,-0.0 2,-0.1 -0.957 65.6-132.8-130.3 140.8 90.3 -21.3 65.0 161 159 A S > - 0 0 62 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.422 34.6-107.0 -78.5 161.9 89.0 -19.6 68.1 162 160 A I H > S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.905 124.0 57.2 -50.9 -43.9 90.9 -16.9 70.1 163 161 A E H > S+ 0 0 146 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.889 108.6 44.5 -55.6 -44.8 91.3 -19.7 72.7 164 162 A S H >> S+ 0 0 19 1,-0.2 4,-0.8 2,-0.2 3,-0.6 0.909 112.1 52.4 -67.1 -41.8 93.0 -22.0 70.1 165 163 A I H >X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 3,-0.6 0.853 96.1 69.5 -65.4 -35.4 95.2 -19.1 68.8 166 164 A K H 3X S+ 0 0 105 -4,-2.4 4,-2.5 1,-0.3 -1,-0.2 0.857 95.9 53.7 -51.2 -42.3 96.4 -18.2 72.3 167 165 A K H S+ 0 0 0 -4,-2.3 5,-1.4 1,-0.2 4,-0.5 0.906 111.5 47.8 -62.3 -45.6 105.7 -17.7 69.2 173 171 A R H ><5S+ 0 0 103 -4,-3.0 3,-1.2 1,-0.2 -1,-0.2 0.898 108.1 56.0 -63.9 -41.1 106.4 -15.3 72.1 174 172 A E H 3<5S+ 0 0 172 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.868 104.5 53.6 -57.5 -38.6 108.5 -18.0 73.9 175 173 A A H 3<5S- 0 0 43 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.591 110.9-126.1 -73.7 -13.0 110.7 -18.2 70.8 176 174 A G T <<5 + 0 0 68 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.744 63.2 131.7 76.6 25.7 111.2 -14.5 70.9 177 175 A V < - 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