==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-AUG-09 2WQP . COMPND 2 MOLECULE: POLYSIALIC ACID CAPSULE BIOSYNTHESIS PROTEIN SIAC . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR F.LIU,H.J.LEE,N.C.J.STRYNADKA,M.E.TANNER . 348 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17126.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 11.8 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 . 17 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 26.7 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 . 1 2 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 0 141 0, 0.0 2,-0.3 0, 0.0 227,-0.0 0.000 360.0 360.0 360.0 -69.2 96.8 2.1 66.4 2 3 A N - 0 0 37 2,-0.1 14,-0.1 204,-0.0 204,-0.0 -0.967 360.0-129.7-155.7 173.0 100.2 0.7 67.4 3 4 A N + 0 0 125 -2,-0.3 2,-0.1 12,-0.1 205,-0.1 0.115 54.8 138.7-114.2 17.0 103.9 1.0 66.8 4 5 A N + 0 0 41 203,-0.2 11,-0.6 201,-0.2 12,-0.3 -0.428 24.9 157.1 -64.6 135.2 104.7 -2.7 66.4 5 6 A E E +A 14 0A 118 9,-0.2 2,-0.3 -2,-0.1 9,-0.2 -0.990 18.4 170.3-151.9 156.6 107.1 -3.4 63.5 6 7 A F E -A 13 0A 15 7,-1.6 7,-2.9 -2,-0.3 2,-0.4 -0.953 30.5-108.7-155.8 171.6 109.6 -5.8 62.2 7 8 A K E -A 12 0A 120 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.827 8.6-161.3-108.3 141.3 111.6 -6.4 59.0 8 9 A I E > S-A 11 0A 2 3,-2.9 3,-2.2 -2,-0.4 2,-0.3 -0.958 81.8 -49.5-112.7 103.7 111.3 -9.0 56.3 9 10 A G T 3 S- 0 0 47 -2,-0.6 -2,-0.0 116,-0.4 115,-0.0 -0.528 125.1 -22.8 59.8-122.0 114.7 -8.6 54.7 10 11 A N T 3 S+ 0 0 137 -2,-0.3 2,-0.6 -3,-0.1 -1,-0.3 0.331 118.6 101.6 -95.9 6.9 115.0 -4.9 54.2 11 12 A R E < -A 8 0A 27 -3,-2.2 -3,-2.9 38,-0.0 2,-0.3 -0.837 61.3-148.6-101.6 116.6 111.2 -4.3 54.2 12 13 A S E -A 7 0A 33 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.620 14.2-167.3 -78.3 136.0 109.7 -2.9 57.4 13 14 A V E +A 6 0A 0 -7,-2.9 -7,-1.6 -2,-0.3 2,-0.2 -0.954 31.5 93.4-126.0 148.0 106.1 -3.9 58.1 14 15 A G E > S-A 5 0A 1 -2,-0.4 3,-2.3 216,-0.3 -9,-0.2 -0.792 83.3 -67.6 152.0 169.4 103.7 -2.5 60.7 15 16 A Y T 3 S+ 0 0 25 -11,-0.6 -12,-0.1 1,-0.3 -1,-0.1 0.809 128.4 51.3 -55.8 -35.0 101.0 0.1 61.2 16 17 A N T 3 S+ 0 0 89 -12,-0.3 -1,-0.3 -14,-0.1 2,-0.2 0.342 105.2 72.1 -88.0 12.1 103.4 3.0 60.6 17 18 A H S < S- 0 0 49 -3,-2.3 -3,-0.1 1,-0.1 -4,-0.1 -0.728 98.6 -81.8-122.5 164.5 104.7 1.6 57.4 18 19 A E - 0 0 60 -2,-0.2 -4,-0.2 -6,-0.1 246,-0.1 -0.466 59.3-101.3 -61.4 135.0 103.2 1.1 53.9 19 20 A P - 0 0 5 0, 0.0 2,-0.5 0, 0.0 212,-0.2 -0.278 35.7-131.9 -57.9 150.8 101.1 -2.0 53.9 20 21 A L E -b 231 0B 0 210,-2.4 212,-3.2 -3,-0.1 2,-0.6 -0.930 11.1-152.5-109.4 124.7 102.7 -5.0 52.3 21 22 A I E -b 232 0B 7 -2,-0.5 2,-0.7 210,-0.2 29,-0.6 -0.850 6.8-154.0 -97.8 122.5 101.0 -7.1 49.7 22 23 A I E -bc 233 50B 0 210,-3.3 212,-1.4 -2,-0.6 2,-1.0 -0.887 7.1-147.9 -96.0 117.0 102.1 -10.7 49.5 23 24 A C E -bc 234 51B 0 27,-2.2 29,-2.6 -2,-0.7 2,-1.1 -0.789 14.6-155.7 -85.2 101.0 101.5 -12.2 46.0 24 25 A E E +bc 235 52B 5 210,-2.5 212,-2.4 -2,-1.0 29,-0.2 -0.686 24.0 170.7 -86.2 98.6 100.8 -15.8 46.9 25 26 A I E > + 0 0 4 27,-2.1 3,-2.5 -2,-1.1 4,-0.2 0.842 25.9 155.1 -73.8 -30.2 101.6 -17.9 43.8 26 27 A G E 3 S- c 0 53B 0 26,-1.2 28,-0.7 1,-0.3 3,-0.3 -0.148 73.2 -21.4 48.4-122.4 101.1 -21.0 45.9 27 28 A I T > S+ 0 0 8 1,-0.2 3,-2.2 26,-0.1 -1,-0.3 0.284 105.7 110.6-100.8 9.2 100.2 -24.0 43.9 28 29 A N T < + 0 0 3 -3,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.667 65.7 67.3 -59.9 -22.1 99.0 -21.9 41.0 29 30 A H T > S- 0 0 2 -3,-0.3 3,-1.9 -4,-0.2 -1,-0.3 0.582 96.9-138.3 -76.9 -6.8 101.9 -22.9 38.8 30 31 A E T < - 0 0 50 -3,-2.2 -2,-0.1 1,-0.3 56,-0.1 0.813 67.3 -55.9 52.4 32.2 100.5 -26.5 38.7 31 32 A G T 3 S+ 0 0 28 54,-0.6 2,-0.5 1,-0.2 -1,-0.3 0.483 108.8 122.2 87.4 6.0 104.0 -27.9 39.1 32 33 A S <> - 0 0 42 -3,-1.9 4,-2.5 1,-0.1 -1,-0.2 -0.880 49.8-158.7-107.6 126.7 105.6 -26.1 36.1 33 34 A L H > S+ 0 0 35 -2,-0.5 4,-3.1 2,-0.2 5,-0.3 0.880 96.5 59.1 -67.0 -36.6 108.6 -23.8 36.4 34 35 A K H > S+ 0 0 146 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.955 111.2 41.4 -53.7 -49.3 107.7 -22.2 33.0 35 36 A T H > S+ 0 0 23 -6,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.939 113.9 52.8 -66.0 -43.7 104.3 -21.3 34.5 36 37 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.907 110.3 47.3 -58.7 -43.8 105.8 -20.2 37.8 37 38 A F H X S+ 0 0 53 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.861 108.9 54.3 -68.4 -35.9 108.3 -17.9 36.1 38 39 A E H X S+ 0 0 57 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.883 111.0 46.9 -61.3 -38.8 105.5 -16.4 33.9 39 40 A X H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.889 110.9 50.1 -71.2 -39.3 103.7 -15.6 37.2 40 41 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.907 110.6 51.9 -61.0 -41.8 106.8 -14.1 38.8 41 42 A D H X S+ 0 0 51 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.921 110.3 47.6 -59.4 -47.3 107.3 -12.0 35.7 42 43 A A H X S+ 0 0 16 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.896 112.0 49.8 -61.8 -42.5 103.7 -10.8 35.9 43 44 A A H X>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 4,-0.6 0.936 112.4 47.9 -61.4 -46.4 104.1 -10.0 39.6 44 45 A Y H ><5S+ 0 0 112 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.947 111.7 48.0 -59.4 -50.9 107.3 -8.1 39.0 45 46 A N H 3<5S+ 0 0 115 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.781 107.5 57.7 -66.1 -25.4 105.9 -6.1 36.2 46 47 A A H 3<5S- 0 0 6 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.571 123.3-102.6 -77.3 -12.8 102.8 -5.3 38.3 47 48 A G T <<5 + 0 0 28 -3,-1.6 -3,-0.2 -4,-0.6 -2,-0.1 0.621 61.1 166.1 99.5 16.0 105.0 -3.7 41.0 48 49 A A < - 0 0 9 -5,-2.4 -1,-0.2 -6,-0.2 3,-0.1 -0.314 25.8-166.2 -66.1 146.6 104.9 -6.5 43.6 49 50 A E S S+ 0 0 63 -28,-0.5 56,-2.7 1,-0.3 2,-0.4 0.690 72.7 31.9 -99.1 -27.9 107.4 -6.5 46.5 50 51 A V E -cd 22 105B 1 -29,-0.6 -27,-2.2 54,-0.2 2,-0.5 -0.998 55.7-166.0-138.9 134.5 107.0 -10.1 47.7 51 52 A V E -cd 23 106B 2 54,-2.6 56,-1.8 -2,-0.4 2,-0.4 -0.987 16.1-159.1-117.1 127.2 106.1 -13.4 46.0 52 53 A K E -cd 24 107B 0 -29,-2.6 -27,-2.1 -2,-0.5 -26,-1.2 -0.879 6.4-168.0-108.5 140.2 105.2 -16.3 48.3 53 54 A H E -cd 26 108B 3 54,-1.9 56,-1.5 -2,-0.4 2,-0.4 -0.547 21.4-122.1-108.8 175.7 105.3 -19.9 47.4 54 55 A Q E - d 0 109B 20 -28,-0.7 2,-0.9 54,-0.2 56,-0.2 -1.000 19.2-146.9-119.0 129.6 104.0 -23.1 49.1 55 56 A T E - d 0 110B 0 54,-3.3 56,-0.9 -2,-0.4 2,-0.5 -0.811 22.8-178.5-102.0 101.5 106.5 -25.7 50.0 56 57 A H + 0 0 7 -2,-0.9 2,-0.4 31,-0.2 31,-0.1 -0.885 19.2 173.2-110.3 125.5 104.9 -29.1 49.6 57 58 A I >> - 0 0 23 -2,-0.5 4,-1.8 1,-0.1 3,-1.2 -0.914 21.1-157.3-127.0 100.8 106.7 -32.4 50.3 58 59 A V H 3> S+ 0 0 9 -2,-0.4 4,-1.6 1,-0.3 3,-0.2 0.838 83.9 48.0 -60.7 -45.1 103.9 -34.9 50.0 59 60 A E H 34 S+ 0 0 132 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.764 116.5 42.5 -68.2 -27.4 105.2 -37.8 52.1 60 61 A D H <4 S+ 0 0 60 -3,-1.2 53,-0.3 1,-0.1 -1,-0.2 0.690 117.3 45.1 -92.2 -20.6 106.2 -35.6 55.1 61 62 A E H < S+ 0 0 43 -4,-1.8 2,-0.4 -3,-0.2 -2,-0.2 0.677 116.4 38.5 -96.0 -17.4 103.1 -33.4 55.2 62 63 A X < - 0 0 32 -4,-1.6 -1,-0.2 -5,-0.3 2,-0.2 -0.987 62.9-146.4-137.3 141.1 100.4 -36.1 54.7 63 64 A S > - 0 0 74 -2,-0.4 3,-2.1 -3,-0.1 4,-0.3 -0.451 50.0 -88.2 -88.9 174.5 99.8 -39.7 55.8 64 65 A D G > S+ 0 0 104 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.772 120.6 76.1 -61.8 -22.2 98.1 -42.2 53.5 65 66 A E G > S+ 0 0 133 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.785 82.5 68.3 -54.0 -29.0 94.7 -41.1 54.9 66 67 A A G X S+ 0 0 12 -3,-2.1 13,-1.3 1,-0.3 3,-1.0 0.712 84.0 69.8 -70.0 -17.3 95.0 -37.9 52.7 67 68 A K G < S+ 0 0 96 -3,-1.8 -1,-0.3 -4,-0.3 10,-0.2 0.638 101.8 48.0 -71.0 -12.4 94.7 -40.0 49.5 68 69 A Q G < S+ 0 0 157 -3,-1.8 2,-0.4 -4,-0.3 -1,-0.2 0.361 97.9 83.1-104.9 -0.5 91.0 -40.5 50.6 69 70 A V < - 0 0 78 -3,-1.0 9,-2.8 -4,-0.2 10,-0.4 -0.941 57.7-158.3-121.3 133.5 90.1 -36.9 51.4 70 71 A I - 0 0 102 -2,-0.4 7,-0.2 7,-0.3 -3,-0.0 -0.842 17.5-127.4-109.2 132.9 89.0 -34.1 49.0 71 72 A P > - 0 0 34 0, 0.0 3,-1.1 0, 0.0 5,-0.0 -0.291 29.6-105.5 -74.3 169.1 89.3 -30.4 49.6 72 73 A G T 3 S+ 0 0 92 1,-0.2 112,-0.0 3,-0.0 -2,-0.0 0.747 117.1 48.8 -65.0 -23.4 86.3 -28.0 49.3 73 74 A N T 3 S+ 0 0 39 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.027 110.0 46.9-111.5 26.4 87.6 -26.6 46.0 74 75 A A < - 0 0 21 -3,-1.1 4,-0.1 2,-0.0 -4,-0.1 -0.942 62.3-138.7-152.5 177.7 88.4 -29.7 44.1 75 76 A D S S+ 0 0 154 -2,-0.3 2,-0.3 2,-0.1 -5,-0.1 0.211 83.6 66.1-127.6 9.5 87.0 -33.1 43.1 76 77 A V S S- 0 0 48 1,-0.1 -8,-0.1 -5,-0.0 5,-0.0 -0.812 96.6 -75.9-123.3 169.0 90.2 -35.2 43.6 77 78 A S > - 0 0 18 -2,-0.3 4,-2.0 -10,-0.2 -7,-0.3 -0.224 32.6-122.7 -67.0 155.0 92.1 -36.0 46.7 78 79 A I H > S+ 0 0 41 -9,-2.8 4,-2.4 -12,-0.5 5,-0.2 0.864 114.0 58.8 -63.5 -33.4 94.4 -33.5 48.4 79 80 A Y H > S+ 0 0 22 -13,-1.3 4,-2.4 -10,-0.4 -1,-0.2 0.939 106.0 47.1 -59.2 -47.3 97.2 -36.0 47.9 80 81 A E H > S+ 0 0 101 -14,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.878 110.7 52.5 -62.5 -41.1 96.7 -36.0 44.2 81 82 A I H X S+ 0 0 4 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.954 112.5 44.1 -61.0 -49.2 96.6 -32.2 44.0 82 83 A X H X S+ 0 0 19 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.847 110.6 54.1 -68.0 -34.0 99.9 -31.9 45.9 83 84 A E H < S+ 0 0 119 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.866 113.2 45.3 -63.9 -35.6 101.6 -34.6 43.9 84 85 A R H < S+ 0 0 97 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.884 123.8 31.4 -71.6 -41.2 100.6 -32.8 40.7 85 86 A C H < S+ 0 0 1 -4,-2.1 -54,-0.6 -5,-0.1 -2,-0.2 0.615 87.0 112.6 -98.9 -17.3 101.7 -29.3 41.9 86 87 A A < - 0 0 32 -4,-2.2 2,-0.4 -5,-0.2 -31,-0.1 -0.343 54.4-145.0 -68.9 135.0 104.6 -29.8 44.2 87 88 A L - 0 0 6 -2,-0.1 -31,-0.2 -31,-0.1 -55,-0.1 -0.807 18.9-123.7 -92.7 139.7 108.0 -28.5 43.1 88 89 A N > - 0 0 68 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.174 33.7 -95.2 -71.9 175.4 111.1 -30.5 44.1 89 90 A E H > S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.912 122.8 50.5 -63.1 -46.5 113.9 -28.9 46.1 90 91 A E H > S+ 0 0 117 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.908 113.3 46.0 -54.7 -46.6 116.1 -28.1 43.1 91 92 A D H > S+ 0 0 47 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.900 111.1 51.4 -68.9 -39.3 113.2 -26.4 41.3 92 93 A E H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.893 106.7 54.4 -68.0 -35.3 112.1 -24.4 44.3 93 94 A I H X S+ 0 0 78 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.930 108.6 50.1 -62.0 -40.6 115.7 -23.1 44.8 94 95 A K H X S+ 0 0 116 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.920 108.7 52.2 -61.5 -44.0 115.5 -21.9 41.1 95 96 A L H X S+ 0 0 4 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.949 109.5 48.8 -56.6 -49.5 112.2 -20.2 41.8 96 97 A K H X S+ 0 0 32 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.925 112.1 48.6 -56.9 -47.3 113.7 -18.4 44.8 97 98 A E H X S+ 0 0 120 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.916 111.5 50.5 -60.3 -42.8 116.7 -17.3 42.8 98 99 A Y H X S+ 0 0 43 -4,-2.7 4,-0.7 2,-0.2 -2,-0.2 0.929 110.2 48.9 -61.8 -47.8 114.4 -16.1 40.0 99 100 A V H ><>S+ 0 0 0 -4,-2.9 5,-1.7 1,-0.2 3,-1.2 0.936 113.5 47.2 -55.8 -46.5 112.2 -14.1 42.3 100 101 A E H ><5S+ 0 0 85 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.801 102.6 63.4 -69.0 -26.7 115.3 -12.5 43.9 101 102 A S H 3<5S+ 0 0 62 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.674 100.2 54.7 -69.2 -16.2 116.8 -11.8 40.4 102 103 A K T <<5S- 0 0 69 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.218 122.7-107.5 -99.7 11.8 113.8 -9.5 39.9 103 104 A G T < 5S+ 0 0 74 -3,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.593 80.4 126.8 74.4 11.9 114.6 -7.5 43.1 104 105 A X < - 0 0 10 -5,-1.7 2,-0.4 1,-0.0 -1,-0.3 -0.589 63.1-108.3 -98.2 163.6 111.7 -9.1 44.9 105 106 A I E -d 50 0B 24 -56,-2.7 -54,-2.6 -2,-0.2 2,-0.5 -0.749 26.4-148.8 -89.6 134.4 111.5 -10.9 48.2 106 107 A F E +d 51 0B 0 -2,-0.4 2,-0.3 -56,-0.2 20,-0.2 -0.912 26.7 155.9-104.1 122.0 110.9 -14.7 48.3 107 108 A I E -d 52 0B 1 -56,-1.8 -54,-1.9 -2,-0.5 2,-0.3 -0.832 16.2-165.4-128.5 173.3 109.1 -16.3 51.1 108 109 A S E -de 53 127B 0 18,-0.6 20,-2.0 -2,-0.3 2,-0.5 -0.989 21.8-117.1-153.8 162.9 107.1 -19.5 51.4 109 110 A T E -de 54 128B 2 -56,-1.5 -54,-3.3 -2,-0.3 2,-0.3 -0.896 27.5-149.6-102.3 133.9 104.6 -21.5 53.5 110 111 A L E -d 55 0B 1 18,-1.3 20,-0.5 -2,-0.5 -54,-0.1 -0.796 16.4-176.6 -99.5 147.8 105.8 -24.8 55.0 111 112 A F + 0 0 39 -56,-0.9 2,-0.3 -2,-0.3 -1,-0.1 0.240 68.3 25.0-123.1 12.3 103.4 -27.7 55.6 112 113 A S S > S- 0 0 5 -57,-0.2 4,-2.2 1,-0.1 -51,-0.1 -0.972 81.4-101.1-164.0 164.6 105.8 -30.1 57.2 113 114 A R H > S+ 0 0 155 -53,-0.3 4,-2.5 -2,-0.3 5,-0.2 0.919 121.5 53.2 -57.1 -46.8 109.1 -30.5 59.1 114 115 A A H > S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.906 109.9 47.9 -61.7 -40.4 110.9 -31.5 55.9 115 116 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.903 109.7 52.9 -67.0 -40.6 109.6 -28.3 54.2 116 117 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.936 111.8 46.0 -58.2 -46.1 110.6 -26.1 57.2 117 118 A L H X S+ 0 0 61 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.888 110.9 52.5 -67.3 -38.4 114.1 -27.6 57.0 118 119 A R H X S+ 0 0 21 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.921 110.7 47.6 -60.2 -44.2 114.3 -27.1 53.3 119 120 A L H X>S+ 0 0 0 -4,-2.5 5,-1.3 1,-0.2 4,-0.7 0.877 108.8 54.1 -68.7 -36.4 113.3 -23.4 53.6 120 121 A Q H <5S+ 0 0 85 -4,-2.2 3,-0.5 2,-0.2 -1,-0.2 0.873 105.2 53.7 -63.4 -38.0 115.9 -22.9 56.4 121 122 A R H <5S+ 0 0 151 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.878 110.1 47.8 -63.2 -35.2 118.6 -24.3 54.1 122 123 A X H <5S- 0 0 17 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.604 108.2-137.2 -80.2 -13.3 117.5 -21.7 51.6 123 124 A D T <5 - 0 0 99 -4,-0.7 -3,-0.2 -3,-0.5 -2,-0.1 0.901 25.5-168.4 62.4 48.2 117.6 -19.1 54.4 124 125 A I < - 0 0 0 -5,-1.3 -1,-0.1 1,-0.1 -17,-0.1 -0.324 25.4-125.1 -68.1 154.0 114.3 -17.3 53.6 125 126 A P S S+ 0 0 30 0, 0.0 -116,-0.4 0, 0.0 2,-0.3 0.636 86.3 10.3 -81.4 -12.1 113.9 -14.0 55.5 126 127 A A - 0 0 0 -20,-0.2 -18,-0.6 22,-0.2 2,-0.5 -0.971 70.0-131.0-161.0 152.7 110.5 -14.8 57.1 127 128 A Y E -ef 108 150B 3 22,-2.3 24,-2.9 -2,-0.3 2,-0.4 -0.936 11.0-150.0-115.7 130.1 108.3 -17.9 57.4 128 129 A K E -ef 109 151B 6 -20,-2.0 -18,-1.3 -2,-0.5 2,-0.5 -0.829 6.8-163.2 -94.7 133.5 104.6 -18.1 56.6 129 130 A I E - f 0 152B 2 22,-2.9 24,-2.8 -2,-0.4 -18,-0.1 -0.985 19.8-135.0-113.9 118.2 102.5 -20.6 58.6 130 131 A G > - 0 0 9 -2,-0.5 3,-1.5 -20,-0.5 4,-0.4 -0.234 23.6-104.7 -69.0 162.9 99.2 -21.3 57.0 131 132 A S G > S+ 0 0 4 1,-0.3 3,-0.9 2,-0.2 4,-0.4 0.822 119.5 61.5 -59.8 -32.6 95.8 -21.4 58.8 132 133 A G G 3 S+ 0 0 40 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.794 110.8 39.8 -63.6 -27.2 95.8 -25.2 58.6 133 134 A E G X S+ 0 0 33 -3,-1.5 3,-1.8 1,-0.2 -1,-0.2 0.327 82.9 102.1-103.5 4.3 99.0 -25.3 60.7 134 135 A C T < S+ 0 0 0 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.1 0.837 92.9 38.3 -58.6 -32.7 98.0 -22.5 63.1 135 136 A N T 3 S+ 0 0 85 -4,-0.4 2,-1.6 -3,-0.2 -1,-0.3 0.270 87.6 105.9-100.0 10.7 97.2 -25.2 65.6 136 137 A N X> + 0 0 59 -3,-1.8 4,-2.2 1,-0.2 3,-0.5 -0.571 45.9 173.8 -89.8 77.3 100.2 -27.4 64.6 137 138 A Y H 3> S+ 0 0 52 -2,-1.6 4,-2.8 1,-0.3 -1,-0.2 0.840 70.8 54.7 -62.3 -39.0 102.2 -26.6 67.7 138 139 A P H 3> S+ 0 0 97 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.906 111.8 46.1 -58.5 -39.2 105.1 -29.0 67.1 139 140 A L H <> S+ 0 0 13 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.892 111.2 51.9 -71.6 -39.1 105.6 -27.4 63.7 140 141 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.937 107.8 52.3 -61.0 -47.3 105.4 -23.9 65.1 141 142 A K H X S+ 0 0 136 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.921 110.4 49.1 -51.7 -47.0 108.0 -24.7 67.7 142 143 A L H < S+ 0 0 46 -4,-1.8 3,-0.5 -5,-0.2 4,-0.3 0.964 113.9 43.5 -61.6 -51.1 110.3 -26.0 65.0 143 144 A V H >< S+ 0 0 1 -4,-2.5 3,-2.0 1,-0.2 5,-0.4 0.896 109.5 56.3 -65.4 -39.3 109.9 -22.9 62.7 144 145 A A H >< S+ 0 0 2 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.830 97.4 65.4 -61.8 -30.3 110.2 -20.5 65.6 145 146 A S T 3< S+ 0 0 81 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.626 84.0 76.7 -65.5 -11.2 113.6 -22.0 66.5 146 147 A F T < S- 0 0 26 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.637 100.9-126.6 -79.7 -14.0 114.9 -20.8 63.2 147 148 A G < + 0 0 54 -3,-1.4 -3,-0.1 1,-0.3 -2,-0.1 0.535 68.5 113.1 86.3 7.2 115.3 -17.2 64.5 148 149 A K S S- 0 0 67 -5,-0.4 -1,-0.3 1,-0.1 -22,-0.2 -0.719 74.5 -85.3-109.6 158.7 113.3 -15.4 61.7 149 150 A P - 0 0 15 0, 0.0 -22,-2.3 0, 0.0 2,-0.4 -0.243 41.7-141.6 -58.6 151.6 110.0 -13.5 61.8 150 151 A I E -fg 127 176B 0 25,-1.8 27,-2.3 -24,-0.2 2,-0.6 -0.957 9.7-157.6-119.6 135.0 106.8 -15.5 61.4 151 152 A I E -fg 128 177B 0 -24,-2.9 -22,-2.9 -2,-0.4 2,-0.6 -0.962 21.7-166.8-106.0 113.3 103.7 -14.6 59.6 152 153 A L E -fg 129 178B 0 25,-2.7 27,-2.5 -2,-0.6 2,-0.3 -0.906 10.4-152.6-111.5 116.1 100.9 -16.7 61.1 153 154 A S E - g 0 179B 2 -24,-2.8 27,-0.2 -2,-0.6 -20,-0.1 -0.629 5.4-162.8 -82.4 148.7 97.5 -17.0 59.4 154 155 A T > + 0 0 7 25,-2.3 3,-1.2 -2,-0.3 27,-0.1 0.147 32.0 140.7-127.7 19.7 94.7 -17.8 61.8 155 156 A G T 3 S+ 0 0 1 1,-0.2 -21,-0.2 24,-0.2 27,-0.2 -0.209 73.4 19.1 -55.2 151.8 91.8 -19.1 59.8 156 157 A X T 3 S+ 0 0 134 25,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.560 107.8 104.4 67.1 10.0 89.8 -21.9 61.4 157 158 A N < - 0 0 27 -3,-1.2 -1,-0.1 4,-0.0 2,-0.1 -0.962 62.5-134.9-131.9 140.8 91.2 -21.1 64.8 158 159 A S > - 0 0 66 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.445 34.7-106.0 -83.2 161.6 89.9 -19.4 67.9 159 160 A I H > S+ 0 0 53 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.918 122.9 56.1 -48.4 -46.8 91.8 -16.8 70.0 160 161 A E H > S+ 0 0 147 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.900 109.5 44.3 -55.5 -44.9 92.3 -19.5 72.6 161 162 A S H >> S+ 0 0 20 1,-0.2 4,-0.9 2,-0.2 3,-0.5 0.894 113.2 50.6 -67.5 -43.0 93.9 -21.8 70.0 162 163 A I H 3X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 3,-0.4 0.840 98.7 68.4 -63.9 -35.6 96.0 -19.0 68.6 163 164 A K H 3X S+ 0 0 92 -4,-2.5 4,-2.5 1,-0.3 -1,-0.2 0.867 96.8 52.3 -52.9 -41.5 97.2 -18.1 72.1 164 165 A K H S+ 0 0 0 -4,-2.1 5,-1.4 1,-0.2 4,-0.8 0.940 110.8 48.3 -62.1 -47.5 106.6 -17.7 69.1 170 171 A R H ><5S+ 0 0 102 -4,-2.9 3,-1.0 1,-0.2 -1,-0.2 0.907 107.1 56.1 -61.4 -43.8 107.3 -15.3 72.0 171 172 A E H 3<5S+ 0 0 171 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.868 107.2 49.7 -54.0 -37.7 109.4 -17.9 73.9 172 173 A A H 3<5S- 0 0 48 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.670 111.1-130.6 -77.4 -16.5 111.6 -18.2 70.8 173 174 A G T <<5 + 0 0 63 -3,-1.0 -3,-0.2 -4,-0.8 -2,-0.1 0.829 57.9 135.0 71.9 35.1 111.9 -14.4 70.8 174 175 A V < - 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