==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-MAY-11 2YK6 . COMPND 2 MOLECULE: CMP-N-ACETYLNEURAMINATE-BETA-GALACTOSAMIDE-ALPHA- . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS SEROGROUP B; . AUTHOR L.Y.C.LIN,B.RAKIC,C.P.C.CHIU,E.LAMEIGNERE,W.W.WAKARCHUK,S.G. . 325 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19481.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 32 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0 0 1 1 1 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 2 4 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 49 A P 0 0 149 0, 0.0 26,-0.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 120.2 63.3 72.7 6.4 2 50 A V - 0 0 63 24,-0.1 2,-0.4 26,-0.0 26,-0.2 -0.650 360.0-133.2-122.3 166.1 59.8 73.5 5.2 3 51 A N E -a 28 0A 55 24,-2.1 26,-2.3 -2,-0.2 2,-0.3 -0.950 21.8-148.7-114.2 142.0 56.4 75.0 6.2 4 52 A L E -a 29 0A 107 -2,-0.4 2,-0.4 24,-0.2 26,-0.2 -0.826 9.9-170.5-105.8 149.7 53.1 73.3 5.3 5 53 A I E -a 30 0A 23 24,-1.6 26,-2.3 -2,-0.3 2,-0.4 -0.972 6.3-160.9-134.0 130.1 49.8 75.0 4.6 6 54 A F E +a 31 0A 121 -2,-0.4 2,-0.3 24,-0.2 26,-0.2 -0.923 14.0 176.7-111.0 132.4 46.5 73.0 4.3 7 55 A C E +a 32 0A 1 24,-2.6 26,-3.4 -2,-0.4 3,-0.1 -0.928 27.1 174.8-129.7 156.7 43.4 74.4 2.6 8 56 A Y S S+ 0 0 93 -2,-0.3 2,-0.3 24,-0.2 27,-0.2 0.230 70.3 45.3-140.6 16.0 40.0 73.4 1.6 9 57 A T S > S- 0 0 16 1,-0.1 4,-2.1 25,-0.1 -1,-0.1 -0.984 79.7-111.3-151.3 163.4 38.4 76.6 0.2 10 58 A I H > S+ 0 0 33 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.948 117.1 50.4 -62.3 -45.7 39.2 79.5 -2.1 11 59 A L H > S+ 0 0 123 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.890 107.1 53.6 -65.4 -36.0 39.4 82.0 0.7 12 60 A Q H > S+ 0 0 52 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.899 106.6 54.1 -59.7 -39.8 41.7 79.8 2.8 13 61 A M H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.940 104.8 52.8 -58.4 -48.3 44.0 79.7 -0.4 14 62 A K H X S+ 0 0 88 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.916 109.6 50.6 -52.5 -38.6 44.0 83.6 -0.4 15 63 A V H X S+ 0 0 83 -4,-2.0 4,-2.9 1,-0.2 3,-0.4 0.949 106.5 53.4 -65.0 -44.9 45.1 83.3 3.2 16 64 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.886 108.3 51.8 -53.8 -38.9 47.8 80.9 2.3 17 65 A E H X S+ 0 0 44 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.825 109.5 47.9 -69.2 -35.4 49.0 83.5 -0.3 18 66 A R H X S+ 0 0 164 -4,-1.5 4,-1.3 -3,-0.4 -2,-0.2 0.910 111.1 51.2 -70.2 -41.9 49.1 86.2 2.3 19 67 A I H < S+ 0 0 64 -4,-2.9 4,-0.4 2,-0.2 -2,-0.2 0.905 114.2 43.6 -61.2 -42.5 51.0 84.0 4.7 20 68 A M H >< S+ 0 0 11 -4,-2.2 3,-1.9 1,-0.2 6,-0.2 0.931 108.4 55.7 -70.5 -44.7 53.6 83.1 2.0 21 69 A A H 3< S+ 0 0 79 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.774 107.8 53.5 -62.5 -20.1 54.0 86.6 0.7 22 70 A Q T 3< S+ 0 0 124 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.590 109.8 46.5 -87.5 -14.6 54.8 87.5 4.4 23 71 A H X + 0 0 83 -3,-1.9 3,-2.6 -4,-0.4 -1,-0.2 -0.490 65.8 160.3-120.4 65.5 57.6 84.8 4.6 24 72 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.806 75.9 52.4 -57.6 -29.5 59.5 85.5 1.3 25 73 A G T 3 S+ 0 0 71 -3,-0.1 2,-0.3 2,-0.1 -5,-0.0 0.401 96.3 86.7 -88.6 3.2 62.5 83.7 2.6 26 74 A E S < S- 0 0 99 -3,-2.6 2,-0.4 -6,-0.2 -24,-0.1 -0.692 73.7-122.6-106.0 156.1 60.7 80.5 3.6 27 75 A R - 0 0 96 -26,-0.4 -24,-2.1 -2,-0.3 2,-0.4 -0.830 29.4-165.6 -97.6 136.0 59.9 77.4 1.7 28 76 A F E -a 3 0A 13 -2,-0.4 25,-1.5 -26,-0.2 26,-1.3 -0.962 19.5-168.0-125.5 130.5 56.2 76.3 1.4 29 77 A Y E -ab 4 54A 71 -26,-2.3 -24,-1.6 -2,-0.4 2,-0.5 -0.981 21.9-164.1-108.2 133.0 54.4 73.1 0.4 30 78 A V E -ab 5 55A 1 24,-2.5 26,-2.0 -2,-0.5 2,-0.5 -0.966 9.2-168.9-127.1 122.8 50.7 73.8 -0.1 31 79 A V E -ab 6 56A 14 -26,-2.3 -24,-2.6 -2,-0.5 2,-0.5 -0.932 3.4-164.9-112.2 122.9 47.9 71.2 -0.3 32 80 A L E -ab 7 57A 1 24,-2.5 26,-1.5 -2,-0.5 2,-0.5 -0.929 5.4-171.8-100.1 129.7 44.4 72.1 -1.3 33 81 A M E + b 0 58A 58 -26,-3.4 2,-0.3 -2,-0.5 26,-0.2 -0.956 21.5 153.2-120.8 113.9 41.8 69.4 -0.5 34 82 A S E - b 0 59A 4 24,-1.8 26,-0.7 -2,-0.5 -25,-0.1 -0.995 47.4-148.2-144.9 144.5 38.4 70.1 -2.0 35 83 A E S S+ 0 0 39 -2,-0.3 2,-0.3 -27,-0.2 27,-0.1 0.748 88.0 65.8 -78.0 -23.2 35.2 68.3 -3.2 36 84 A N - 0 0 82 25,-0.1 2,-0.3 2,-0.0 24,-0.1 -0.771 59.7-177.3-100.3 142.2 34.5 71.0 -5.9 37 85 A R + 0 0 139 -2,-0.3 2,-0.3 22,-0.1 3,-0.1 -0.989 24.0 122.6-134.4 138.4 36.7 71.7 -8.9 38 86 A N S > S- 0 0 73 -2,-0.3 4,-2.7 1,-0.1 5,-0.4 -0.971 72.9 -69.4-173.1 178.3 36.1 74.5 -11.4 39 87 A E H > S+ 0 0 176 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.903 128.3 49.9 -46.9 -49.6 37.5 77.6 -13.2 40 88 A K H > S+ 0 0 146 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.914 113.3 43.9 -57.0 -51.2 37.2 79.5 -9.9 41 89 A Y H >> S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 3,-0.8 0.977 113.8 49.0 -62.2 -55.0 39.0 76.9 -7.8 42 90 A D H 3X S+ 0 0 37 -4,-2.7 4,-3.7 1,-0.3 5,-0.3 0.882 104.8 60.8 -50.2 -41.2 41.8 76.2 -10.2 43 91 A Y H 3X S+ 0 0 127 -4,-2.1 4,-1.2 -5,-0.4 -1,-0.3 0.918 111.1 37.9 -61.8 -37.2 42.5 79.9 -10.7 44 92 A Y H X S+ 0 0 0 -4,-1.2 4,-2.6 -3,-0.5 3,-2.2 0.901 106.7 58.4 -78.8 -44.4 49.4 79.3 -5.1 49 97 A K H 3< S+ 0 0 110 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.744 102.8 59.0 -49.1 -27.7 51.3 76.8 -7.3 50 98 A D T 3< S+ 0 0 121 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.574 116.3 30.1 -82.3 -7.7 53.1 79.9 -8.6 51 99 A K T <4 S+ 0 0 161 -3,-2.2 2,-0.2 -4,-0.1 -2,-0.2 0.622 103.9 83.4-118.6 -23.6 54.4 80.9 -5.2 52 100 A A S < S- 0 0 14 -4,-2.6 -23,-0.2 1,-0.1 3,-0.1 -0.551 74.7-132.3 -86.7 148.2 54.8 77.6 -3.4 53 101 A E S S+ 0 0 102 -25,-1.5 2,-0.3 1,-0.2 -24,-0.2 0.760 96.8 1.7 -63.7 -22.9 57.8 75.4 -3.7 54 102 A W E -b 29 0A 124 -26,-1.3 -24,-2.5 -6,-0.1 2,-0.3 -0.964 69.2-176.1-165.6 145.5 55.3 72.6 -4.2 55 103 A A E -b 30 0A 12 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.982 2.3-173.9-152.6 135.8 51.5 72.3 -4.4 56 104 A Y E -b 31 0A 123 -26,-2.0 -24,-2.5 -2,-0.3 2,-0.6 -0.998 12.4-154.3-138.5 142.2 49.0 69.5 -4.7 57 105 A F E -b 32 0A 19 -2,-0.4 2,-0.6 -26,-0.2 -24,-0.2 -0.869 8.7-160.7-117.8 91.8 45.3 69.5 -5.2 58 106 A F E -b 33 0A 93 -26,-1.5 -24,-1.8 -2,-0.6 2,-1.2 -0.624 9.9-151.8 -67.6 115.8 43.5 66.3 -3.8 59 107 A H E -b 34 0A 103 -2,-0.6 -24,-0.2 -26,-0.2 -26,-0.1 -0.718 22.1-157.1 -94.4 89.5 40.1 66.3 -5.6 60 108 A L - 0 0 47 -2,-1.2 2,-0.1 -26,-0.7 3,-0.1 -0.192 20.3 -95.4 -65.6 152.4 38.1 64.4 -2.9 61 109 A P > - 0 0 84 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 -0.394 55.7 -85.8 -64.1 141.7 34.9 62.4 -3.5 62 110 A Y T 3 S+ 0 0 170 1,-0.2 -26,-0.0 -27,-0.1 -28,-0.0 -0.118 107.0 14.7 -53.3 137.5 31.7 64.3 -2.8 63 111 A G T 3 S+ 0 0 20 -3,-0.1 -1,-0.2 2,-0.1 20,-0.0 0.731 76.9 126.0 72.6 28.0 30.4 64.3 0.8 64 112 A L < + 0 0 96 -3,-0.9 2,-0.6 1,-0.1 -2,-0.1 0.764 64.1 69.6 -81.1 -27.5 33.5 63.1 2.7 65 113 A N - 0 0 51 1,-0.1 -2,-0.1 2,-0.1 -1,-0.1 -0.825 58.8-175.5 -91.8 116.3 33.3 66.2 4.9 66 114 A K + 0 0 107 -2,-0.6 2,-0.2 2,-0.0 -1,-0.1 0.488 65.7 68.9 -90.9 -0.2 30.4 66.2 7.3 67 115 A S S S- 0 0 64 13,-0.0 2,-0.4 2,-0.0 -2,-0.1 -0.460 75.4-125.9-104.8-174.9 31.1 69.7 8.7 68 116 A F - 0 0 49 -2,-0.2 -2,-0.0 1,-0.1 0, 0.0 -0.984 14.1-159.0-136.0 137.4 31.0 73.1 7.2 69 117 A N S S+ 0 0 80 -2,-0.4 2,-0.2 -61,-0.1 -1,-0.1 0.619 90.0 48.8 -83.4 -16.3 33.3 76.1 6.7 70 118 A F S S- 0 0 91 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.643 105.1 -90.3-111.9 174.3 30.3 78.4 6.3 71 119 A I - 0 0 162 -2,-0.2 -2,-0.1 1,-0.0 2,-0.1 -0.764 53.8-134.0 -85.4 119.0 27.2 78.7 8.4 72 120 A P - 0 0 39 0, 0.0 2,-0.2 0, 0.0 -4,-0.0 -0.364 7.6-135.0 -84.1 159.7 24.8 76.2 6.9 73 121 A T > - 0 0 75 1,-0.1 4,-2.8 -2,-0.1 5,-0.2 -0.528 36.5 -98.3 -93.5 165.6 21.2 76.7 6.0 74 122 A M H > S+ 0 0 130 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.841 129.2 52.3 -50.3 -38.4 18.4 74.2 6.8 75 123 A A H > S+ 0 0 65 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.946 109.8 46.4 -62.8 -47.3 18.8 73.1 3.1 76 124 A E H > S+ 0 0 77 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.845 113.8 48.9 -71.5 -34.0 22.6 72.6 3.6 77 125 A L H X S+ 0 0 83 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.964 112.6 47.5 -61.9 -56.2 22.1 70.7 6.8 78 126 A K H X S+ 0 0 134 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.913 110.8 50.6 -56.1 -48.5 19.3 68.4 5.3 79 127 A V H < S+ 0 0 75 -4,-2.7 5,-0.2 1,-0.2 -1,-0.2 0.979 114.6 42.2 -55.0 -59.0 21.3 67.6 2.1 80 128 A K H >X S+ 0 0 34 -4,-1.5 4,-2.4 1,-0.2 3,-1.4 0.908 113.6 56.5 -52.1 -43.2 24.5 66.6 4.0 81 129 A A H 3< S+ 0 0 62 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.944 109.4 43.0 -52.1 -53.4 22.3 64.8 6.6 82 130 A M T 3< S+ 0 0 169 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.159 116.5 46.0 -92.6 21.6 20.6 62.5 4.1 83 131 A L T <4 S+ 0 0 60 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.2 0.573 80.9 102.0-123.6 -36.8 23.7 61.7 2.0 84 132 A L S < S- 0 0 48 -4,-2.4 -20,-0.1 -5,-0.2 -21,-0.0 -0.327 86.2-118.0 -36.9 115.8 26.0 60.9 5.0 85 133 A P - 0 0 79 0, 0.0 2,-0.7 0, 0.0 -2,-0.1 -0.271 16.7-112.1 -67.5 159.7 25.8 57.1 4.7 86 134 A K - 0 0 219 -3,-0.1 2,-0.6 2,-0.0 -2,-0.0 -0.866 39.8-162.2 -93.3 114.5 24.3 55.0 7.5 87 135 A V + 0 0 46 -2,-0.7 22,-0.1 1,-0.1 3,-0.1 -0.849 26.4 166.8-115.8 112.3 27.2 53.0 8.9 88 136 A K S S+ 0 0 146 -2,-0.6 23,-2.3 1,-0.3 2,-0.3 0.818 70.2 7.3 -88.7 -31.6 26.9 49.9 11.1 89 137 A R E -c 111 0B 77 21,-0.3 2,-0.4 2,-0.0 -1,-0.3 -0.985 57.8-154.5-156.1 146.9 30.4 48.5 11.0 90 138 A I E -c 112 0B 22 21,-2.2 23,-2.4 -2,-0.3 2,-0.5 -0.997 5.7-161.6-134.9 129.7 33.9 49.5 9.8 91 139 A Y E +c 113 0B 116 -2,-0.4 2,-0.3 21,-0.2 23,-0.2 -0.916 24.6 147.5-113.1 133.7 36.8 47.2 8.9 92 140 A L E -c 114 0B 3 21,-1.8 23,-1.4 -2,-0.5 5,-0.1 -0.993 50.6 -83.2-158.6 160.6 40.4 48.4 8.6 93 141 A A E > -c 115 0B 8 -2,-0.3 3,-1.0 21,-0.3 4,-0.5 -0.315 49.2-111.7 -59.0 146.5 44.0 47.5 9.1 94 142 A S T > S+ 0 0 0 21,-2.3 3,-2.4 1,-0.2 4,-0.3 0.946 117.4 49.2 -49.1 -56.8 45.1 47.8 12.8 95 143 A L T >> S+ 0 0 36 1,-0.3 4,-1.5 2,-0.2 3,-1.4 0.695 97.1 71.4 -59.7 -18.8 47.4 50.8 12.1 96 144 A E H <> S+ 0 0 77 -3,-1.0 4,-2.5 1,-0.3 -1,-0.3 0.641 80.3 73.5 -72.6 -14.5 44.6 52.5 10.1 97 145 A K H <4 S+ 0 0 1 -3,-2.4 -1,-0.3 -4,-0.5 -2,-0.2 0.705 103.7 42.5 -62.9 -24.0 42.9 53.1 13.5 98 146 A V H X4 S+ 0 0 41 -3,-1.4 3,-0.7 -4,-0.3 -2,-0.2 0.886 121.6 35.4 -81.5 -56.9 45.7 55.7 13.9 99 147 A S H 3< S+ 0 0 91 -4,-1.5 3,-0.3 1,-0.2 -2,-0.2 0.790 127.1 36.8 -79.6 -30.4 45.7 57.3 10.5 100 148 A I T >X S+ 0 0 62 -4,-2.5 4,-2.0 -5,-0.2 3,-0.6 0.157 85.5 115.8-104.7 27.5 42.0 57.1 9.8 101 149 A A H <> + 0 0 21 -3,-0.7 4,-1.5 1,-0.2 -1,-0.2 0.734 68.1 56.7 -59.9 -33.8 41.2 57.8 13.5 102 150 A A H 3> S+ 0 0 83 -3,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.812 108.5 46.7 -75.6 -29.5 39.5 61.2 12.8 103 151 A F H X4 S+ 0 0 88 -3,-0.6 3,-0.9 2,-0.2 -2,-0.2 0.898 107.8 58.0 -73.7 -43.4 37.0 59.6 10.5 104 152 A L H >< S+ 0 0 2 -4,-2.0 3,-2.0 1,-0.3 6,-0.2 0.899 102.2 53.8 -52.3 -41.7 36.3 56.7 12.9 105 153 A S H 3< S+ 0 0 66 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.775 96.3 65.5 -72.6 -23.8 35.3 59.2 15.6 106 154 A T T << S+ 0 0 51 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.418 104.7 48.8 -75.7 4.5 32.7 60.7 13.3 107 155 A Y S X S+ 0 0 32 -3,-2.0 3,-1.6 -4,-0.2 -1,-0.3 -0.416 71.3 164.9-133.2 62.8 31.0 57.3 13.5 108 156 A P T 3 S+ 0 0 97 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.635 73.2 44.3 -57.2 -20.5 31.1 56.8 17.3 109 157 A D T 3 S+ 0 0 159 -22,-0.1 2,-0.2 -3,-0.1 -4,-0.1 0.458 82.6 113.5-110.0 -3.4 28.5 53.9 17.3 110 158 A A S < S- 0 0 12 -3,-1.6 2,-0.3 -6,-0.2 -21,-0.3 -0.498 72.3-122.0 -62.9 131.8 29.9 51.9 14.4 111 159 A E E -c 89 0B 72 -23,-2.3 -21,-2.2 -2,-0.2 2,-0.4 -0.627 32.3-146.2 -75.2 136.3 31.2 48.6 15.5 112 160 A I E +c 90 0B 10 47,-0.4 49,-1.1 -2,-0.3 2,-0.3 -0.891 21.3 176.2-115.3 141.0 34.9 48.4 14.6 113 161 A K E -c 91 0B 12 -23,-2.4 -21,-1.8 -2,-0.4 2,-0.3 -0.997 11.7-156.4-140.1 145.8 37.0 45.4 13.5 114 162 A T E -cd 92 163B 0 48,-1.9 50,-3.2 -2,-0.3 2,-0.3 -0.756 5.2-162.5-117.9 163.0 40.6 45.3 12.4 115 163 A F E -cd 93 164B 80 -23,-1.4 -21,-2.3 -2,-0.3 50,-0.2 -0.923 41.9 -70.7-137.3 167.8 42.9 43.0 10.4 116 164 A D - 0 0 14 48,-1.8 3,-0.1 -2,-0.3 -23,-0.0 -0.251 25.4-151.3 -59.6 139.7 46.6 42.7 10.0 117 165 A D - 0 0 62 1,-0.3 2,-0.3 -24,-0.1 -1,-0.2 0.877 63.4 -86.6 -66.6 -43.6 48.5 45.4 8.2 118 166 A G S > S- 0 0 24 157,-0.0 3,-2.7 -3,-0.0 -1,-0.3 -0.959 78.4 -22.6 163.7-155.6 51.0 42.8 7.2 119 167 A T G > S+ 0 0 65 1,-0.3 3,-2.6 -2,-0.3 4,-0.3 0.751 119.2 78.8 -54.8 -25.6 54.2 41.1 8.6 120 168 A I G > S+ 0 0 42 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.691 81.2 67.3 -55.5 -20.3 54.6 44.2 10.8 121 169 A N G < S+ 0 0 0 -3,-2.7 52,-2.7 1,-0.2 -1,-0.3 0.656 91.6 64.5 -69.0 -11.6 51.9 42.7 13.0 122 170 A L G < S+ 0 0 5 -3,-2.6 2,-0.7 -4,-0.2 -1,-0.2 0.618 74.1 93.6 -98.2 -14.0 54.4 39.9 14.0 123 171 A I S < S- 0 0 16 -3,-0.6 2,-0.2 -4,-0.3 50,-0.1 -0.755 77.5-135.1 -75.8 114.3 56.9 42.0 15.8 124 172 A Q >> - 0 0 61 -2,-0.7 3,-2.9 1,-0.1 4,-0.5 -0.484 19.5-104.9 -78.8 145.1 55.9 41.8 19.4 125 173 A S G >4 S+ 0 0 65 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.732 117.3 51.3 -30.8 -53.9 55.8 44.9 21.7 126 174 A S G >4 S+ 0 0 73 1,-0.3 3,-2.1 2,-0.2 4,-0.4 0.709 94.3 72.2 -64.1 -25.8 59.0 44.0 23.6 127 175 A S G X4 S+ 0 0 41 -3,-2.9 3,-1.3 1,-0.3 -1,-0.3 0.834 89.7 61.1 -62.6 -26.8 61.0 43.6 20.5 128 176 A Y G << S+ 0 0 3 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.390 96.7 61.4 -79.9 0.4 60.9 47.3 20.0 129 177 A L G < S+ 0 0 120 -3,-2.1 -1,-0.3 -4,-0.0 -2,-0.2 0.520 81.4 121.5 -99.5 -9.2 62.7 47.6 23.3 130 178 A G S X S- 0 0 27 -3,-1.3 3,-1.7 -4,-0.4 4,-0.5 0.072 78.7-111.2 -51.9 159.2 65.8 45.7 22.0 131 179 A D G >> S+ 0 0 144 1,-0.3 3,-1.1 2,-0.2 4,-0.7 0.830 118.2 69.2 -62.0 -28.7 69.3 47.1 21.9 132 180 A E G 34 S+ 0 0 38 1,-0.3 -1,-0.3 2,-0.1 8,-0.1 0.790 110.3 32.3 -57.1 -28.2 68.9 47.0 18.2 133 181 A F G <4 S+ 0 0 1 -3,-1.7 -1,-0.3 -6,-0.2 -2,-0.2 0.370 104.6 76.9-108.9 1.9 66.4 49.8 18.7 134 182 A S T <4 + 0 0 53 -3,-1.1 -2,-0.1 -4,-0.5 -3,-0.1 0.512 58.8 101.8-109.4 -6.0 67.8 51.6 21.7 135 183 A V S < S- 0 0 95 -4,-0.7 2,-0.3 -3,-0.1 6,-0.0 -0.196 77.3-102.4 -57.5 170.0 70.8 53.7 20.5 136 184 A N S S+ 0 0 116 1,-0.2 3,-0.1 5,-0.1 -1,-0.1 -0.809 85.3 2.9-120.8 150.4 69.8 57.4 20.2 137 185 A G S S+ 0 0 59 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.0 0.274 95.9 134.6 63.6 -13.0 69.0 59.8 17.3 138 186 A T S > S- 0 0 53 1,-0.1 4,-1.8 -5,-0.0 -1,-0.2 -0.226 70.8-117.6 -59.7 154.1 69.4 56.7 15.1 139 187 A I H > S+ 0 0 154 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.808 114.9 54.4 -62.3 -34.0 66.9 55.8 12.4 140 188 A K H > S+ 0 0 45 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.870 105.5 52.1 -71.1 -38.6 66.1 52.5 14.2 141 189 A R H > S+ 0 0 68 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.925 108.6 51.3 -58.5 -43.7 65.2 54.3 17.5 142 190 A N H X S+ 0 0 90 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.876 108.6 51.2 -65.8 -37.3 62.8 56.7 15.6 143 191 A F H X S+ 0 0 59 -4,-1.4 4,-2.9 2,-0.2 -1,-0.2 0.895 113.1 44.7 -59.6 -44.4 61.0 53.8 14.0 144 192 A A H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.912 110.5 53.5 -73.3 -41.8 60.6 52.0 17.4 145 193 A R H X S+ 0 0 105 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.924 113.7 46.0 -53.2 -44.3 59.4 55.2 19.1 146 194 A M H X S+ 0 0 91 -4,-1.9 4,-3.1 -5,-0.2 -2,-0.2 0.954 112.9 44.8 -67.4 -56.5 56.9 55.5 16.3 147 195 A M H X S+ 0 0 10 -4,-2.9 4,-3.5 1,-0.2 5,-0.4 0.916 110.3 56.4 -57.7 -43.5 55.5 52.0 16.2 148 196 A I H X S+ 0 0 56 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.921 113.5 41.2 -56.0 -43.6 55.3 51.9 20.0 149 197 A G H X S+ 0 0 33 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.929 115.5 49.2 -69.8 -46.6 53.1 55.0 19.9 150 198 A D H X S+ 0 0 52 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.941 112.1 47.9 -61.7 -45.1 51.0 53.9 16.9 151 199 A W H X S+ 0 0 4 -4,-3.5 4,-1.9 1,-0.2 -1,-0.2 0.890 107.8 57.1 -63.5 -37.8 50.3 50.4 18.4 152 200 A S H X S+ 0 0 62 -4,-1.7 4,-1.9 -5,-0.4 3,-0.4 0.970 111.0 41.1 -54.8 -53.4 49.4 52.0 21.6 153 201 A I H X S+ 0 0 33 -4,-2.3 4,-2.2 1,-0.2 5,-0.4 0.927 112.3 55.3 -68.2 -38.3 46.7 54.1 20.0 154 202 A A H < S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 4,-0.2 0.833 116.4 39.4 -58.5 -29.4 45.5 51.2 17.7 155 203 A K H < S+ 0 0 29 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.2 0.754 126.6 29.6 -92.2 -24.6 45.0 49.1 20.8 156 204 A T H < S+ 0 0 73 -4,-1.9 3,-0.3 -5,-0.2 -2,-0.2 0.573 106.2 61.0-118.2 -7.2 43.6 51.7 23.2 157 205 A R S < S+ 0 0 172 -4,-2.2 2,-0.2 1,-0.2 -3,-0.1 0.758 104.4 25.3-109.1 -24.5 41.6 54.4 21.4 158 206 A N S S- 0 0 41 -5,-0.4 -1,-0.2 -4,-0.2 -2,-0.0 -0.564 89.1-126.3-136.8 79.9 38.6 53.2 19.4 159 207 A A + 0 0 95 -3,-0.3 -47,-0.4 -2,-0.2 2,-0.4 0.180 32.5 179.8 -31.5 119.0 37.6 50.0 21.0 160 208 A S - 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