==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 03-JUN-11 2YLN . COMPND 2 MOLECULE: PUTATIVE ABC TRANSPORTER, PERIPLASMIC BINDING PRO . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA GONORRHOEAE; . AUTHOR H.BULUT,S.MONIOT,F.SCHEFFEL,S.GATHMANN,A.LICHT,W.SAENGER,E.S . 242 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11322.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 12.4 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 . 2 0.8 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 . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.5 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 0 0 1 2 1 1 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 0 PARALLEL BRIDGES PER LADDER . 0 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 36 A A > 0 0 130 0, 0.0 3,-1.6 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 163.9 2.8 13.5 24.2 2 37 A I T 3 + 0 0 181 1,-0.3 3,-0.1 2,-0.1 0, 0.0 0.677 360.0 54.9 -58.0 -23.6 2.2 10.8 26.8 3 38 A S T 3 S- 0 0 73 1,-0.1 -1,-0.3 0, 0.0 12,-0.1 0.620 107.3-122.5 -84.3 -20.1 5.2 9.0 25.4 4 39 A G < - 0 0 15 -3,-1.6 -1,-0.1 4,-0.1 -2,-0.1 -0.019 47.8 -53.2 78.8 158.2 7.8 11.7 25.7 5 40 A S > - 0 0 56 1,-0.1 4,-2.3 -4,-0.1 5,-0.2 -0.202 50.3-111.9 -70.7 164.9 9.7 12.9 22.6 6 41 A L H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.920 118.4 48.9 -62.7 -43.2 11.5 10.5 20.4 7 42 A I H > S+ 0 0 27 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.886 107.8 55.2 -66.1 -38.3 14.9 11.9 21.4 8 43 A E H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 111.2 45.1 -54.8 -48.1 14.0 11.6 25.0 9 44 A R H X>S+ 0 0 35 -4,-2.3 5,-3.0 2,-0.2 4,-0.6 0.853 114.6 48.0 -68.8 -31.1 13.2 7.9 24.5 10 45 A I H ><5S+ 0 0 0 -4,-2.2 3,-0.7 -5,-0.2 -2,-0.2 0.946 117.4 40.1 -67.9 -54.1 16.4 7.4 22.5 11 46 A N H 3<5S+ 0 0 71 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.876 121.8 43.7 -65.9 -28.9 18.7 9.1 25.0 12 47 A N H 3<5S- 0 0 122 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.325 113.4-114.2-103.0 1.3 16.8 7.6 28.0 13 48 A K T <<5 + 0 0 118 -3,-0.7 -3,-0.2 -4,-0.6 -4,-0.1 0.933 65.1 137.0 68.9 56.6 16.5 4.1 26.7 14 49 A G < - 0 0 25 -5,-3.0 40,-2.4 -6,-0.1 2,-0.4 0.067 55.7 -60.4-103.2-146.7 12.7 3.7 26.2 15 50 A T E -a 54 0A 56 38,-0.2 2,-0.4 -12,-0.1 40,-0.2 -0.908 36.9-163.2-116.6 137.8 10.6 2.2 23.4 16 51 A V E -a 55 0A 4 38,-2.7 40,-2.2 -2,-0.4 2,-0.4 -0.960 12.6-143.3-119.4 135.1 10.4 3.3 19.7 17 52 A T E -a 56 0A 37 -2,-0.4 59,-1.4 38,-0.2 58,-1.1 -0.821 13.8-162.8-103.8 140.9 7.6 2.2 17.4 18 53 A V E -ab 57 76A 2 38,-2.7 40,-2.8 -2,-0.4 2,-0.3 -0.977 11.1-142.0-128.6 122.2 8.2 1.4 13.7 19 54 A G E +ab 58 77A 0 57,-3.0 59,-2.4 -2,-0.5 2,-0.3 -0.647 35.7 149.0 -82.0 135.2 5.7 1.2 10.9 20 55 A T E -a 59 0A 0 38,-1.4 40,-2.1 -2,-0.3 59,-0.1 -0.969 46.3-125.1-159.4 157.0 6.3 -1.5 8.3 21 56 A E - 0 0 7 -2,-0.3 -1,-0.1 38,-0.2 8,-0.1 0.905 17.5-157.3 -76.0 -49.4 4.1 -3.6 6.1 22 57 A G S S+ 0 0 4 2,-0.1 8,-0.5 15,-0.1 7,-0.1 0.524 80.4 78.2 77.9 7.1 5.1 -7.2 6.9 23 58 A T E +E 29 0B 85 6,-0.2 127,-0.3 1,-0.1 2,-0.3 -0.076 69.2 87.0-135.5 28.1 3.8 -8.2 3.5 24 59 A Y E >> S-E 28 0B 4 4,-3.3 4,-2.0 125,-0.1 3,-1.6 -0.659 73.8-130.9-140.9 76.1 6.6 -7.1 1.1 25 60 A A T 34 S+ 0 0 34 1,-0.3 149,-0.2 -2,-0.3 148,-0.1 -0.435 81.8 16.5 -68.0 144.8 9.4 -9.7 0.6 26 61 A P T 34 S+ 0 0 4 0, 0.0 13,-2.3 0, 0.0 -1,-0.3 -0.900 130.1 46.0 -97.4 19.8 12.4 -9.4 0.8 27 62 A F T <4 S- 0 0 0 -3,-1.6 13,-1.3 11,-0.3 14,-1.2 0.817 128.7 -2.8 -89.4 -42.3 12.2 -6.1 2.7 28 63 A T E < S+E 24 0B 0 -4,-2.0 -4,-3.3 12,-0.2 2,-0.3 -0.765 90.5 119.8-161.1 102.1 9.6 -6.6 5.4 29 64 A Y E -EF 23 37B 63 8,-2.3 8,-3.1 -2,-0.3 2,-0.5 -0.959 58.0 -94.3-159.3 170.2 7.8 -10.0 5.6 30 65 A H E - F 0 36B 77 -8,-0.5 6,-0.2 -2,-0.3 5,-0.1 -0.878 35.8-138.1-102.4 134.4 7.0 -13.1 7.6 31 66 A D > - 0 0 51 4,-2.5 3,-2.4 -2,-0.5 -1,-0.1 -0.058 40.2 -83.3 -79.6-178.3 9.2 -16.1 7.2 32 67 A K T 3 S+ 0 0 185 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.586 131.7 51.0 -68.1 -15.1 7.9 -19.7 7.1 33 68 A D T 3 S- 0 0 125 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.216 122.6-104.4-100.9 12.0 7.8 -19.8 10.9 34 69 A G S < S+ 0 0 45 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.408 70.6 148.3 82.5 4.1 5.9 -16.6 11.1 35 70 A K - 0 0 105 -5,-0.1 -4,-2.5 1,-0.1 2,-0.5 -0.514 51.1-123.3 -72.0 129.9 8.9 -14.4 12.2 36 71 A L E +F 30 0B 15 -2,-0.3 -6,-0.2 -6,-0.2 2,-0.2 -0.634 57.0 135.7 -67.8 122.6 8.8 -10.8 11.0 37 72 A T E +F 29 0B 7 -8,-3.1 -8,-2.3 -2,-0.5 4,-0.2 -0.621 7.9 127.0-150.0-160.3 12.0 -10.3 9.1 38 73 A G S > S- 0 0 0 -10,-0.3 4,-2.7 -2,-0.2 -11,-0.3 -0.178 72.1 -73.5 107.6 158.8 13.3 -8.8 5.9 39 74 A Y H > S+ 0 0 0 -13,-2.3 4,-2.7 1,-0.2 5,-0.2 0.895 129.1 45.9 -55.4 -50.0 16.1 -6.3 5.2 40 75 A D H > S+ 0 0 0 -13,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.887 114.7 48.2 -64.1 -39.3 14.4 -3.2 6.5 41 76 A V H > S+ 0 0 0 -14,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.918 113.7 46.1 -63.7 -49.1 13.2 -5.0 9.7 42 77 A E H X S+ 0 0 29 -4,-2.7 4,-2.1 -15,-0.2 -2,-0.2 0.883 111.9 51.1 -66.2 -38.3 16.6 -6.5 10.4 43 78 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.3 -1,-0.2 0.940 111.0 49.6 -59.9 -45.1 18.4 -3.2 9.8 44 79 A T H X S+ 0 0 6 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.909 109.0 51.3 -63.3 -41.5 15.9 -1.5 12.2 45 80 A R H X S+ 0 0 76 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.914 111.0 48.7 -59.1 -42.4 16.5 -4.2 14.9 46 81 A A H X S+ 0 0 25 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.893 111.2 50.2 -67.6 -39.8 20.3 -3.6 14.5 47 82 A V H X S+ 0 0 3 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.919 109.2 51.8 -58.9 -50.0 19.8 0.2 14.8 48 83 A A H X>S+ 0 0 8 -4,-2.7 5,-1.9 1,-0.2 4,-1.2 0.907 109.3 49.6 -58.7 -42.4 17.6 -0.3 17.9 49 84 A E H ><5S+ 0 0 151 -4,-2.2 3,-0.7 2,-0.2 -1,-0.2 0.950 109.3 51.1 -62.6 -43.5 20.3 -2.4 19.6 50 85 A K H 3<5S+ 0 0 97 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.909 115.6 43.4 -58.3 -37.7 23.0 0.2 18.8 51 86 A L H 3<5S- 0 0 19 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.591 108.5-125.4 -85.2 -9.5 20.8 2.9 20.3 52 87 A G T <<5 + 0 0 39 -4,-1.2 2,-0.3 -3,-0.7 -3,-0.2 0.763 63.6 134.0 69.5 27.7 19.8 0.8 23.3 53 88 A V < - 0 0 15 -5,-1.9 2,-0.3 -6,-0.2 -1,-0.2 -0.782 60.0-116.4-106.6 154.0 16.0 1.2 22.7 54 89 A K E -a 15 0A 124 -40,-2.4 -38,-2.7 -2,-0.3 2,-0.4 -0.669 34.3-151.5 -75.4 137.0 13.2 -1.3 22.7 55 90 A V E -a 16 0A 31 -2,-0.3 2,-0.4 -40,-0.2 -38,-0.2 -0.967 14.3-172.8-116.9 138.3 11.6 -1.6 19.2 56 91 A E E -a 17 0A 89 -40,-2.2 -38,-2.7 -2,-0.4 2,-0.5 -0.998 15.8-143.8-125.7 128.8 8.1 -2.5 18.4 57 92 A F E -a 18 0A 36 -2,-0.4 2,-0.7 -40,-0.2 -38,-0.2 -0.808 5.9-158.5 -96.7 129.8 6.9 -3.0 14.8 58 93 A K E -a 19 0A 85 -40,-2.8 -38,-1.4 -2,-0.5 2,-0.2 -0.900 18.1-139.6-108.4 96.9 3.4 -1.8 14.0 59 94 A E E +a 20 0A 81 -2,-0.7 2,-0.4 -40,-0.2 -38,-0.2 -0.433 32.0 177.2 -69.6 132.0 2.3 -3.7 10.9 60 95 A T - 0 0 6 -40,-2.1 5,-0.1 -2,-0.2 2,-0.1 -0.994 35.2-107.2-142.7 136.3 0.5 -1.3 8.6 61 96 A Q > - 0 0 112 -2,-0.4 3,-2.0 1,-0.1 4,-0.5 -0.354 37.8-119.9 -57.5 141.8 -1.2 -1.3 5.2 62 97 A W G >> S+ 0 0 2 85,-0.4 3,-2.2 1,-0.3 4,-0.6 0.901 111.3 55.8 -54.3 -46.6 0.9 0.7 2.7 63 98 A D G 34 S+ 0 0 60 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.623 111.4 45.3 -70.9 -3.1 -1.8 3.2 2.0 64 99 A S G <> S+ 0 0 62 -3,-2.0 4,-1.9 3,-0.1 -1,-0.3 0.362 92.5 90.3-103.5 -6.5 -2.0 4.0 5.7 65 100 A M H <> S+ 0 0 0 -3,-2.2 4,-2.0 -4,-0.5 -2,-0.1 0.958 90.4 32.5 -67.6 -58.2 1.7 4.2 6.3 66 101 A M H X S+ 0 0 21 -4,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.891 119.6 53.8 -73.7 -31.5 2.7 7.8 5.7 67 102 A A H > S+ 0 0 65 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.893 108.5 51.9 -60.0 -42.7 -0.6 9.0 7.0 68 103 A G H X>S+ 0 0 8 -4,-1.9 5,-2.9 2,-0.2 6,-0.6 0.902 107.0 51.0 -61.0 -42.0 0.1 7.0 10.1 69 104 A L H ><5S+ 0 0 0 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.957 112.3 47.1 -60.7 -47.4 3.5 8.5 10.6 70 105 A K H 3<5S+ 0 0 132 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.792 115.1 46.3 -62.3 -32.6 2.0 11.9 10.3 71 106 A A H 3<5S- 0 0 88 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.347 119.1-104.1 -96.4 6.0 -0.9 11.0 12.8 72 107 A G T <<5S+ 0 0 59 -3,-1.1 -3,-0.2 -4,-0.6 -4,-0.1 0.748 75.6 137.0 82.6 15.0 1.3 9.3 15.4 73 108 A R S S- 0 0 10 1,-0.1 4,-2.6 -3,-0.1 3,-0.3 -0.986 83.1-120.3-137.9 154.5 7.6 13.8 -3.5 86 121 A P H > S+ 0 0 101 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.888 117.9 55.3 -57.2 -37.0 7.7 17.5 -2.8 87 122 A E H > S+ 0 0 94 2,-0.2 4,-1.0 1,-0.2 5,-0.2 0.897 107.5 45.9 -63.1 -45.2 5.1 16.7 -0.0 88 123 A R H >> S+ 0 0 6 -3,-0.3 4,-2.6 1,-0.2 3,-0.6 0.920 112.0 53.6 -63.6 -38.4 7.3 14.0 1.6 89 124 A Q H 3< S+ 0 0 108 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.843 111.1 45.7 -62.2 -33.0 10.2 16.5 1.4 90 125 A A H 3< S+ 0 0 73 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.634 122.8 33.7 -82.5 -19.0 8.1 19.2 3.2 91 126 A T H << S+ 0 0 32 -4,-1.0 112,-1.9 -3,-0.6 2,-0.3 0.756 112.4 41.2-110.1 -33.5 6.8 16.9 5.9 92 127 A F E < -D 202 0A 0 -4,-2.6 2,-0.3 110,-0.2 110,-0.2 -0.783 56.9-141.4-123.9 157.6 9.4 14.3 6.9 93 128 A D E -D 201 0A 29 108,-2.2 108,-2.4 -2,-0.3 2,-0.4 -0.872 18.0-150.1-112.3 152.7 13.1 13.8 7.5 94 129 A K E -D 200 0A 61 -2,-0.3 106,-0.2 106,-0.2 -12,-0.0 -0.972 11.4-129.6-122.4 134.9 15.0 10.7 6.4 95 130 A S - 0 0 4 104,-2.4 3,-0.1 -2,-0.4 115,-0.1 -0.196 54.2 -60.9 -61.6 173.6 18.1 9.2 8.0 96 131 A E S S- 0 0 66 113,-0.3 103,-0.4 1,-0.1 -1,-0.2 -0.307 76.3 -95.3 -44.2 134.5 21.2 8.3 6.2 97 132 A P - 0 0 14 0, 0.0 101,-0.3 0, 0.0 -1,-0.1 -0.336 30.8-166.4 -66.3 145.1 20.1 5.7 3.7 98 133 A Y S S+ 0 0 0 99,-2.5 2,-0.3 1,-0.3 139,-0.2 0.482 75.2 15.1 -98.1 -8.3 20.4 2.0 4.5 99 134 A S E -G 197 0C 0 98,-1.1 98,-2.4 139,-0.1 2,-0.4 -0.979 58.7-148.4-162.1 155.1 19.8 0.9 0.9 100 135 A W E +G 196 0C 54 137,-1.7 2,-0.3 -2,-0.3 96,-0.2 -0.999 34.0 137.2-128.7 131.2 19.7 2.2 -2.7 101 136 A S E -G 195 0C 5 94,-1.7 94,-2.5 -2,-0.4 2,-0.3 -0.915 27.6-148.5-159.0 174.7 17.4 0.7 -5.3 102 137 A G - 0 0 19 -2,-0.3 66,-2.7 92,-0.2 67,-0.3 -0.945 24.7 -79.2-153.6 173.3 15.1 1.8 -8.2 103 138 A A E -H 167 0D 22 -2,-0.3 86,-2.6 64,-0.2 2,-0.3 -0.350 28.2-174.1 -81.5 157.3 12.1 1.0 -10.1 104 139 A V E -HI 166 188D 2 62,-2.6 62,-2.3 84,-0.2 2,-0.5 -0.928 22.5-126.3-136.8 161.0 11.2 -1.4 -12.9 105 140 A L E -HI 165 187D 0 82,-2.5 81,-2.8 -2,-0.3 82,-1.0 -0.953 21.9-160.2-108.1 131.1 8.0 -1.9 -15.0 106 141 A V E +HI 164 185D 1 58,-2.8 58,-1.7 -2,-0.5 2,-0.3 -0.905 16.3 164.7-110.6 136.3 6.5 -5.4 -15.2 107 142 A A E -HI 163 184D 0 77,-2.3 77,-2.5 -2,-0.4 56,-0.2 -0.879 43.5 -79.1-138.5 173.1 4.1 -6.5 -17.9 108 143 A H E > - I 0 183D 45 54,-0.7 3,-1.7 -2,-0.3 75,-0.3 -0.450 57.3 -90.6 -69.0 152.4 2.8 -9.9 -19.1 109 144 A N T 3 S+ 0 0 64 73,-3.0 -1,-0.1 1,-0.3 3,-0.1 -0.265 117.0 24.3 -55.9 144.6 5.0 -12.0 -21.3 110 145 A D T 3 S+ 0 0 163 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.590 93.3 146.2 69.4 13.9 4.2 -11.1 -25.0 111 146 A S < - 0 0 27 -3,-1.7 -1,-0.2 2,-0.1 -4,-0.1 -0.465 53.5-139.3 -73.5 153.5 3.0 -7.6 -24.0 112 147 A N S S+ 0 0 142 -2,-0.1 2,-0.5 -3,-0.1 -1,-0.1 0.516 71.3 112.0 -86.6 2.0 3.5 -4.6 -26.2 113 148 A I + 0 0 14 -5,-0.2 -2,-0.1 1,-0.1 3,-0.1 -0.588 30.7 156.3 -80.2 119.0 4.3 -2.5 -23.2 114 149 A K + 0 0 132 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.329 57.0 21.1-120.3 -3.8 8.0 -1.5 -23.4 115 150 A S S > S- 0 0 30 72,-0.1 3,-2.3 1,-0.1 -1,-0.2 -0.995 77.3-102.9-164.8 155.2 8.3 1.6 -21.3 116 151 A I G > S+ 0 0 32 -2,-0.3 3,-1.1 1,-0.3 4,-0.1 0.787 120.4 65.7 -57.0 -24.8 6.8 3.8 -18.7 117 152 A A G 3 S+ 0 0 77 1,-0.2 -1,-0.3 2,-0.1 3,-0.3 0.531 92.6 61.2 -69.1 -12.3 5.7 5.8 -21.7 118 153 A D G < S+ 0 0 67 -3,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.335 83.6 78.2-100.6 2.7 3.4 3.0 -22.8 119 154 A I X + 0 0 0 -3,-1.1 3,-2.2 -4,-0.2 23,-0.4 0.431 54.2 126.8 -98.3 3.4 1.2 2.9 -19.8 120 155 A K T 3 S+ 0 0 167 1,-0.3 21,-0.3 -3,-0.3 20,-0.2 -0.397 90.3 2.2 -59.5 126.9 -1.0 5.9 -20.5 121 156 A G T 3 S+ 0 0 59 19,-2.8 2,-0.3 1,-0.2 -1,-0.3 0.451 105.6 125.5 73.6 2.9 -4.5 4.6 -20.3 122 157 A V S < S- 0 0 27 -3,-2.2 20,-2.1 1,-0.1 2,-0.5 -0.693 71.9-103.2 -98.0 144.7 -3.4 1.1 -19.3 123 158 A K E -j 142 0D 115 -2,-0.3 39,-2.6 18,-0.2 40,-1.4 -0.487 44.2-178.3 -67.3 116.6 -4.6 -0.8 -16.2 124 159 A T E -jk 143 163D 0 18,-2.7 20,-2.2 -2,-0.5 2,-0.5 -0.975 18.9-142.4-129.4 111.5 -1.8 -0.5 -13.8 125 160 A A E +j 144 0D 0 38,-1.9 2,-0.3 -2,-0.5 40,-0.2 -0.692 39.6 143.2 -82.8 122.2 -2.1 -2.3 -10.5 126 161 A Q E -j 145 0D 2 18,-2.0 20,-1.7 -2,-0.5 2,-0.4 -0.992 60.8-101.2-149.8 155.3 -0.6 -0.3 -7.6 127 162 A S > - 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0 0 14 -5,-2.4 2,-0.8 -21,-0.3 -1,-0.2 -0.242 51.2-117.0 -72.5 160.2 -2.2 5.1 -16.3 142 177 A Q E -j 123 0D 115 -20,-2.1 -18,-2.7 -23,-0.4 2,-0.4 -0.899 39.8-138.8 -94.7 112.0 -5.5 3.9 -15.1 143 178 A L E -j 124 0D 27 -2,-0.8 -18,-0.2 -20,-0.2 -20,-0.1 -0.635 17.2-162.9 -83.3 139.6 -4.8 2.7 -11.6 144 179 A V E -j 125 0D 39 -20,-2.2 -18,-2.0 -2,-0.4 2,-0.2 -0.949 27.8-128.7-115.0 108.2 -6.2 -0.4 -10.1 145 180 A P E +j 126 0D 82 0, 0.0 2,-0.3 0, 0.0 -18,-0.2 -0.414 39.7 154.6 -67.8 135.7 -5.8 -0.2 -6.4 146 181 A V - 0 0 23 -20,-1.7 -18,-0.2 -2,-0.2 3,-0.1 -0.913 52.5-103.4-146.0 178.3 -4.1 -3.1 -4.5 147 182 A D S S- 0 0 78 -2,-0.3 -85,-0.4 1,-0.2 2,-0.3 0.382 79.9 -68.4 -92.3 7.7 -2.2 -3.9 -1.4 148 183 A G S > S- 0 0 3 96,-0.1 4,-2.2 1,-0.1 -1,-0.2 -0.893 75.8 -30.4 137.0-159.5 1.2 -4.2 -2.9 149 184 A L H > S+ 0 0 9 95,-1.2 4,-2.5 -2,-0.3 5,-0.2 0.859 119.7 52.2 -68.2 -47.4 3.4 -6.1 -5.2 150 185 A A H > S+ 0 0 57 -127,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.933 114.5 44.8 -57.2 -43.8 2.3 -9.7 -4.9 151 186 A Q H > S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.905 110.0 54.7 -69.9 -34.9 -1.3 -8.8 -5.6 152 187 A S H X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.922 109.3 48.4 -62.0 -38.4 -0.4 -6.5 -8.5 153 188 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.894 107.0 56.4 -70.3 -39.3 1.5 -9.4 -10.0 154 189 A T H X S+ 0 0 35 -4,-2.2 4,-2.1 -5,-0.2 6,-0.2 0.939 106.6 50.5 -52.0 -49.0 -1.5 -11.7 -9.5 155 190 A L H <>S+ 0 0 6 -4,-2.3 5,-2.6 2,-0.2 6,-0.9 0.959 112.1 45.9 -60.0 -45.0 -3.6 -9.3 -11.5 156 191 A I H ><5S+ 0 0 1 -4,-2.0 3,-1.6 1,-0.3 -2,-0.2 0.941 111.3 52.4 -65.5 -40.4 -1.1 -9.2 -14.3 157 192 A E H 3<5S+ 0 0 53 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.846 112.5 45.4 -57.3 -38.0 -0.8 -12.9 -14.3 158 193 A Q T 3<5S- 0 0 111 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.356 114.0-117.0 -88.0 1.7 -4.6 -13.2 -14.6 159 194 A K T < 5S+ 0 0 157 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.719 83.6 120.7 60.4 33.2 -4.8 -10.6 -17.3 160 195 A R S -H 103 0D 3 -2,-0.3 4,-2.4 -64,-0.2 -64,-0.2 -0.539 39.5-133.2 -75.4 139.3 11.2 -2.1 -6.9 168 203 A E H > S+ 0 0 60 -66,-2.7 4,-2.7 -2,-0.3 5,-0.2 0.870 105.5 45.9 -55.6 -48.2 13.8 -4.1 -9.0 169 204 A L H > S+ 0 0 14 -67,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.882 111.6 50.8 -69.1 -37.3 14.9 -6.2 -6.1 170 205 A A H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.903 113.5 46.6 -64.8 -39.5 11.4 -7.0 -4.9 171 206 A V H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.949 111.8 49.8 -67.1 -45.5 10.4 -8.1 -8.4 172 207 A L H X S+ 0 0 67 -4,-2.7 4,-1.7 -5,-0.2 -2,-0.2 0.898 110.1 51.7 -60.0 -39.2 13.5 -10.1 -8.9 173 208 A D H X S+ 0 0 18 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.937 110.2 49.2 -61.1 -44.5 12.8 -11.9 -5.5 174 209 A Y H X S+ 0 0 34 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.909 108.9 51.7 -62.2 -43.2 9.3 -12.7 -6.6 175 210 A L H < S+ 0 0 44 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.767 104.4 57.5 -68.5 -26.3 10.5 -14.1 -9.9 176 211 A K H < S+ 0 0 143 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.882 114.6 38.5 -63.3 -41.2 13.0 -16.3 -8.1 177 212 A K H < S+ 0 0 135 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.682 126.5 35.8 -81.4 -18.7 10.1 -17.8 -6.2 178 213 A N S >< S+ 0 0 60 -4,-1.5 3,-1.2 -5,-0.2 -1,-0.2 -0.726 71.8 168.5-137.8 72.3 7.7 -17.8 -9.2 179 214 A P T 3 S+ 0 0 106 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.464 77.6 35.8 -79.8 -11.2 9.9 -18.6 -12.1 180 215 A N T 3 S+ 0 0 149 1,-0.0 -5,-0.0 2,-0.0 0, 0.0 -0.259 75.8 134.4-128.5 43.1 7.3 -19.3 -14.8 181 216 A A S < S- 0 0 26 -3,-1.2 3,-0.1 2,-0.2 -1,-0.0 0.715 70.4-118.3 -66.6 -24.2 4.8 -16.6 -13.6 182 217 A G S S+ 0 0 15 1,-0.4 -73,-3.0 -74,-0.1 2,-0.3 0.568 80.8 98.2 89.0 15.4 4.1 -15.2 -17.1 183 218 A V E -I 108 0D 11 -75,-0.3 -1,-0.4 -73,-0.0 2,-0.3 -0.878 47.0-178.4-130.2 159.4 5.4 -11.8 -16.4 184 219 A K E -I 107 0D 106 -77,-2.5 -77,-2.3 -2,-0.3 2,-0.5 -0.989 36.1 -94.5-153.0 161.2 8.6 -10.0 -16.9 185 220 A I E +I 106 0D 53 -2,-0.3 -79,-0.2 -79,-0.2 3,-0.1 -0.677 38.2 171.7 -76.5 129.6 10.5 -6.8 -16.4 186 221 A V E + 0 0 33 -81,-2.8 2,-0.3 -2,-0.5 -80,-0.2 0.475 62.3 18.0-115.5 -9.9 10.1 -4.6 -19.6 187 222 A W E -I 105 0D 60 -82,-1.0 -82,-2.5 -72,-0.1 2,-0.4 -0.962 59.9-158.1-162.4 142.4 11.7 -1.3 -18.5 188 223 A S E -I 104 0D 77 -2,-0.3 -84,-0.2 -84,-0.2 3,-0.1 -0.987 22.9-119.2-128.1 148.5 14.0 -0.1 -15.8 189 224 A A - 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0 0 3 -103,-0.4 -104,-2.4 -2,-0.3 2,-0.5 -0.561 54.6-146.7 -69.2 130.7 14.3 5.6 8.5 200 235 A I E +CD 77 94A 0 -123,-2.1 -123,-1.8 -2,-0.3 2,-0.3 -0.884 23.6 167.3-108.0 131.3 11.5 8.3 8.1 201 236 A V E -CD 76 93A 0 -108,-2.4 -108,-2.2 -2,-0.5 2,-0.1 -0.886 41.0 -89.3-130.5 165.5 10.4 10.5 10.9 202 237 A N E - D 0 92A 43 -127,-0.5 3,-0.4 -2,-0.3 -110,-0.2 -0.497 52.7 -98.8 -60.7 146.7 8.3 13.6 11.3 203 238 A K S S+ 0 0 98 -112,-1.9 -1,-0.1 1,-0.2 -113,-0.0 -0.236 105.8 61.4 -57.5 156.4 10.2 16.9 11.1 204 239 A G S S+ 0 0 71 -3,-0.1 -1,-0.2 -112,-0.0 3,-0.1 0.534 82.0 89.2 94.3 11.6 11.0 18.4 14.5 205 240 A N > + 0 0 39 -3,-0.4 4,-2.4 1,-0.1 3,-0.2 -0.248 40.2 142.8-131.8 44.1 13.1 15.4 15.5 206 241 A D H > S+ 0 0 115 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.874 72.5 50.6 -60.5 -43.7 16.5 16.4 14.3 207 242 A E H > S+ 0 0 129 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.907 109.8 50.7 -62.8 -39.5 18.5 15.0 17.2 208 243 A A H > S+ 0 0 0 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.916 108.2 53.1 -63.7 -41.8 16.7 11.6 16.8 209 244 A V H X S+ 0 0 20 -4,-2.4 4,-2.9 1,-0.2 -113,-0.3 0.910 106.6 52.7 -57.8 -46.0 17.6 11.6 13.1 210 245 A A H X S+ 0 0 53 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.896 108.7 50.2 -59.2 -39.5 21.2 12.2 13.9 211 246 A K H X S+ 0 0 87 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.935 112.0 47.6 -63.7 -44.6 21.1 9.2 16.3 212 247 A F H X S+ 0 0 7 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.934 113.5 47.3 -60.7 -46.6 19.6 7.0 13.6 213 248 A S H X S+ 0 0 22 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.873 109.7 52.9 -65.1 -37.7 22.1 8.1 11.0 214 249 A T H X S+ 0 0 96 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.935 111.3 46.8 -62.4 -44.8 25.0 7.6 13.4 215 250 A A H X S+ 0 0 5 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.908 112.1 50.0 -61.3 -48.5 23.8 4.0 14.1 216 251 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.928 108.9 52.8 -58.2 -42.5 23.3 3.3 10.4 217 252 A N H X S+ 0 0 72 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.845 109.8 48.2 -62.1 -39.5 26.8 4.6 9.6 218 253 A E H X S+ 0 0 93 -4,-1.8 4,-2.5 2,-0.2 6,-0.3 0.876 108.7 53.1 -68.0 -38.1 28.4 2.3 12.2 219 254 A L H <>S+ 0 0 2 -4,-2.3 6,-1.6 2,-0.2 5,-1.4 0.850 111.3 48.2 -65.0 -32.7 26.4 -0.7 10.8 220 255 A K H ><5S+ 0 0 56 -4,-2.2 3,-1.8 4,-0.2 6,-0.2 0.965 112.7 47.4 -64.3 -55.0 27.8 0.2 7.4 221 256 A A H 3<5S+ 0 0 83 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.844 111.2 50.1 -59.1 -37.3 31.4 0.5 8.7 222 257 A D T 3<5S- 0 0 69 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.405 115.8-110.3 -88.2 7.8 31.2 -2.7 10.6 223 258 A G T <>5S+ 0 0 28 -3,-1.8 4,-2.2 -4,-0.2 -3,-0.2 0.506 82.8 122.1 85.9 2.5 30.0 -4.7 7.7 224 259 A T H > S+ 0 0 0 -6,-1.6 4,-2.5 2,-0.2 12,-0.3 0.887 111.3 51.9 -62.6 -35.8 24.6 -3.8 6.1 226 261 A K H > S+ 0 0 104 -7,-0.3 4,-2.5 -6,-0.2 -2,-0.2 0.951 112.2 46.4 -61.3 -49.1 26.8 -5.7 3.7 227 262 A K H X S+ 0 0 145 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.924 113.6 47.0 -61.5 -45.9 25.9 -9.0 5.5 228 263 A L H X S+ 0 0 19 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.890 112.0 51.0 -68.8 -36.2 22.2 -8.2 5.6 229 264 A G H X>S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 6,-1.3 0.917 109.4 51.2 -67.5 -39.4 22.2 -7.2 1.9 230 265 A E H X5S+ 0 0 85 -4,-2.5 4,-1.5 4,-0.3 -2,-0.2 0.950 111.5 48.6 -53.0 -52.9 24.0 -10.5 1.1 231 266 A Q H <5S+ 0 0 126 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.922 123.5 28.7 -56.5 -50.5 21.4 -12.4 3.0 232 267 A F H <5S+ 0 0 11 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.760 139.4 12.9 -89.1 -27.1 18.3 -10.7 1.5 233 268 A F H <5S- 0 0 17 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.444 93.2-113.2-125.9 -13.0 19.4 -9.7 -2.0 234 269 A G S <