==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR-BINDING PROTEIN 10-MAR-07 2UVG . COMPND 2 MOLECULE: ABC TYPE PERIPLASMIC SUGAR-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA ENTEROCOLITICA; . AUTHOR D.W.ABBOTT,A.B.BORASTON . 401 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17361.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0.2 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 . 1 0.2 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 . 16 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 1 2 2 1 0 1 1 1 0 1 1 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 PARALLEL BRIDGES PER LADDER . 2 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 28 A V 0 0 61 0, 0.0 31,-2.5 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 111.5 10.3 -2.7 23.7 2 29 A N E -a 32 0A 118 29,-0.2 2,-0.2 31,-0.1 31,-0.2 -0.878 360.0-175.8-108.9 108.3 9.0 -1.7 20.2 3 30 A L E -a 33 0A 2 29,-3.1 31,-3.7 -2,-0.7 2,-0.4 -0.580 15.9-143.3 -99.9 158.3 9.1 2.0 19.6 4 31 A R E -a 34 0A 51 29,-0.2 55,-2.5 -2,-0.2 2,-0.5 -0.989 13.2-171.5-120.6 127.8 7.9 4.1 16.6 5 32 A M E -ab 35 59A 2 29,-2.4 31,-4.2 -2,-0.4 2,-0.3 -0.988 4.3-169.3-118.0 129.4 9.8 7.0 15.3 6 33 A S E +ab 36 60A 0 53,-2.2 55,-2.0 -2,-0.5 2,-0.3 -0.838 15.9 147.6-106.3 151.5 8.3 9.4 12.6 7 34 A W E -a 37 0A 0 29,-1.0 31,-1.6 -2,-0.3 2,-0.3 -0.968 30.1-137.3-160.6 174.1 10.0 12.1 10.6 8 35 A W E +a 38 0A 20 -2,-0.3 2,-0.3 29,-0.2 31,-0.2 -0.952 44.5 104.5-129.0 158.6 9.9 13.8 7.3 9 36 A G - 0 0 14 29,-1.4 2,-0.2 -2,-0.3 31,-0.1 -0.966 63.6 -68.0 166.4-164.8 12.8 15.0 5.1 10 37 A G >> - 0 0 44 -2,-0.3 4,-2.0 29,-0.1 3,-0.8 -0.536 60.5 -80.0-104.3 179.3 14.6 13.9 1.9 11 38 A N H 3> S+ 0 0 127 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.826 126.1 57.7 -49.7 -43.6 16.7 10.9 1.2 12 39 A G H 3> S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.913 111.0 44.0 -51.2 -47.8 19.9 12.3 2.9 13 40 A R H <> S+ 0 0 46 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.881 112.4 51.3 -65.5 -44.6 18.0 12.8 6.2 14 41 A H H X S+ 0 0 20 -4,-2.0 4,-3.3 2,-0.2 5,-0.3 0.960 110.4 50.5 -63.2 -47.7 16.3 9.3 6.0 15 42 A E H X S+ 0 0 119 -4,-3.2 4,-2.9 1,-0.2 -2,-0.2 0.951 114.3 40.7 -55.1 -56.3 19.7 7.7 5.4 16 43 A V H X S+ 0 0 14 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.811 117.1 51.1 -64.9 -30.8 21.5 9.4 8.4 17 44 A T H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.951 111.0 46.5 -68.1 -48.0 18.4 8.9 10.5 18 45 A L H X S+ 0 0 60 -4,-3.3 4,-1.6 1,-0.2 -2,-0.2 0.916 112.7 51.7 -59.0 -46.4 18.2 5.2 9.7 19 46 A K H X S+ 0 0 79 -4,-2.9 4,-2.1 -5,-0.3 3,-0.2 0.900 109.0 49.4 -51.1 -51.7 21.9 4.9 10.3 20 47 A A H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.861 108.5 54.4 -58.5 -35.7 21.5 6.6 13.8 21 48 A L H X S+ 0 0 14 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.813 107.4 49.6 -71.5 -30.6 18.7 4.2 14.6 22 49 A E H X S+ 0 0 136 -4,-1.6 4,-2.0 -3,-0.2 -2,-0.2 0.893 111.2 50.3 -69.8 -43.6 20.9 1.2 13.9 23 50 A E H X S+ 0 0 54 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.889 110.6 49.3 -52.6 -43.4 23.5 2.7 16.1 24 51 A F H X S+ 0 0 0 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.932 110.8 49.4 -62.3 -48.6 21.0 3.1 18.8 25 52 A H H < S+ 0 0 75 -4,-2.0 6,-0.2 2,-0.2 -1,-0.2 0.816 104.9 58.2 -63.5 -35.4 19.8 -0.5 18.5 26 53 A K H < S+ 0 0 168 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.983 113.1 39.5 -52.6 -56.7 23.4 -1.8 18.6 27 54 A E H < S+ 0 0 87 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.566 127.5 37.8 -71.9 -11.1 23.7 -0.1 22.0 28 55 A H >< + 0 0 44 -4,-0.8 3,-2.1 3,-0.2 -1,-0.3 -0.573 65.2 171.6-139.6 72.4 20.1 -1.1 23.0 29 56 A P T 3 S+ 0 0 96 0, 0.0 -4,-0.1 0, 0.0 -2,-0.1 0.757 79.9 55.7 -57.3 -24.6 19.5 -4.7 21.6 30 57 A N T 3 S+ 0 0 96 1,-0.1 2,-0.6 2,-0.0 -5,-0.1 0.532 95.3 74.8 -82.5 -10.7 16.1 -4.8 23.5 31 58 A I < - 0 0 2 -3,-2.1 2,-0.3 -6,-0.2 -29,-0.2 -0.935 62.9-172.1-112.8 114.3 14.7 -1.6 21.9 32 59 A N E -a 2 0A 67 -31,-2.5 -29,-3.1 -2,-0.6 2,-0.5 -0.844 10.0-149.3-102.6 144.7 13.5 -1.8 18.4 33 60 A V E -a 3 0A 33 -2,-0.3 2,-0.9 -31,-0.2 -29,-0.2 -0.955 4.3-154.0-119.5 114.4 12.5 1.3 16.3 34 61 A K E -a 4 0A 132 -31,-3.7 -29,-2.4 -2,-0.5 2,-0.5 -0.794 23.8-144.0 -78.0 109.5 9.9 1.1 13.6 35 62 A A E -a 5 0A 31 -2,-0.9 2,-0.4 -31,-0.2 -29,-0.2 -0.687 18.4-174.1 -79.8 124.2 10.9 4.1 11.4 36 63 A E E +a 6 0A 32 -31,-4.2 -29,-1.0 -2,-0.5 2,-0.3 -0.610 21.5 159.6-119.4 72.9 7.9 5.9 9.9 37 64 A Y E +a 7 0A 102 -2,-0.4 2,-0.2 -31,-0.2 -29,-0.2 -0.650 7.0 157.9 -95.2 148.4 9.4 8.4 7.5 38 65 A T E -a 8 0A 39 -31,-1.6 -29,-1.4 -2,-0.3 2,-0.1 -0.830 45.3 -85.2-142.1-176.9 7.9 10.3 4.6 39 66 A G - 0 0 37 2,-0.3 -29,-0.1 -2,-0.2 4,-0.1 -0.326 52.9 -98.3 -76.4 174.4 8.5 13.5 2.5 40 67 A W S >> S+ 0 0 123 -2,-0.1 3,-2.2 2,-0.1 4,-0.7 0.855 98.4 97.2 -67.7 -30.8 7.0 16.7 3.9 41 68 A D T 34 S- 0 0 154 1,-0.3 -2,-0.3 2,-0.2 0, 0.0 -0.394 103.6 -0.9 -66.1 125.9 3.9 16.4 1.6 42 69 A G T 3> S+ 0 0 45 -2,-0.2 4,-2.2 -4,-0.1 -1,-0.3 0.454 102.2 113.6 68.9 2.7 1.0 14.9 3.5 43 70 A H H <> S+ 0 0 0 -3,-2.2 4,-3.1 2,-0.2 5,-0.2 0.941 75.5 47.3 -70.2 -45.0 3.2 14.5 6.6 44 71 A L H X S+ 0 0 58 -4,-0.7 4,-2.9 1,-0.2 -1,-0.2 0.856 111.9 52.2 -62.5 -40.3 1.2 16.9 8.7 45 72 A S H > S+ 0 0 84 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.934 111.5 44.8 -64.2 -46.4 -2.0 15.3 7.6 46 73 A R H X S+ 0 0 100 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.952 116.5 46.6 -66.7 -45.2 -0.8 11.7 8.6 47 74 A L H X S+ 0 0 1 -4,-3.1 4,-2.9 1,-0.2 5,-0.3 0.914 107.5 56.8 -59.7 -42.7 0.5 13.0 11.9 48 75 A T H X S+ 0 0 56 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.905 108.1 48.0 -53.2 -49.1 -2.7 15.0 12.6 49 76 A T H X S+ 0 0 103 -4,-1.9 4,-1.8 2,-0.2 6,-0.2 0.847 115.1 46.2 -57.0 -42.8 -4.8 11.8 12.3 50 77 A Q H <>S+ 0 0 26 -4,-1.7 5,-3.6 2,-0.2 6,-0.8 0.951 114.0 44.3 -70.8 -52.4 -2.4 9.8 14.6 51 78 A I H ><5S+ 0 0 22 -4,-2.9 3,-1.6 4,-0.3 -2,-0.2 0.943 115.2 50.1 -57.5 -50.0 -2.0 12.4 17.4 52 79 A A H 3<5S+ 0 0 89 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.912 116.4 39.8 -59.2 -43.2 -5.8 13.1 17.4 53 80 A G T 3<5S- 0 0 58 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.119 117.0-112.5 -91.0 20.6 -6.8 9.4 17.6 54 81 A G T < 5S+ 0 0 43 -3,-1.6 -3,-0.2 1,-0.1 -4,-0.1 0.707 88.1 112.2 60.3 27.1 -3.9 8.7 20.0 55 82 A T < + 0 0 80 -5,-3.6 -4,-0.3 -6,-0.2 -5,-0.1 0.126 38.9 129.3-117.5 22.2 -2.0 6.6 17.6 56 83 A E - 0 0 8 -6,-0.8 -52,-0.1 1,-0.1 4,-0.1 -0.184 65.1 -83.8 -72.6 163.7 1.0 8.8 17.0 57 84 A P - 0 0 0 0, 0.0 229,-0.3 0, 0.0 -1,-0.1 -0.315 29.7-118.7 -64.9 154.4 4.7 7.5 17.2 58 85 A D S S+ 0 0 16 -54,-0.3 228,-2.1 1,-0.2 2,-0.4 0.906 106.4 28.8 -51.5 -48.8 6.6 7.3 20.5 59 86 A V E S-bC 5 285A 0 -55,-2.5 -53,-2.2 226,-0.2 2,-0.4 -0.983 77.6-176.9-122.8 129.7 9.2 9.8 19.1 60 87 A M E -bC 6 284A 0 224,-2.7 224,-2.6 -2,-0.4 2,-0.4 -0.983 29.1-132.3-126.2 132.5 8.2 12.3 16.5 61 88 A Q E + C 0 283A 0 -55,-2.0 2,-0.3 -2,-0.4 222,-0.2 -0.721 45.7 177.5 -70.2 129.4 10.2 14.9 14.6 62 89 A T E - C 0 282A 0 220,-2.6 220,-2.7 -2,-0.4 2,-0.3 -0.895 28.4-119.9-132.5 161.4 8.0 18.0 15.0 63 90 A N > - 0 0 29 -2,-0.3 3,-2.1 218,-0.2 4,-0.2 -0.761 30.0-114.9 -97.2 154.3 7.9 21.7 14.2 64 91 A W T > S+ 0 0 4 215,-0.4 3,-1.8 -2,-0.3 -1,-0.1 0.892 117.8 58.9 -48.6 -46.8 7.8 24.6 16.7 65 92 A N T 3> S+ 0 0 83 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.436 83.7 80.2 -67.5 -2.5 4.3 25.4 15.3 66 93 A W H <> S+ 0 0 1 -3,-2.1 4,-2.5 2,-0.2 5,-0.5 0.598 82.8 65.6 -74.7 -13.1 3.1 22.0 16.2 67 94 A L H <> S+ 0 0 1 -3,-1.8 4,-2.3 -4,-0.2 7,-0.2 0.965 106.5 38.9 -71.4 -54.5 2.8 23.4 19.7 68 95 A P H 4 S+ 0 0 17 0, 0.0 4,-0.3 0, 0.0 -2,-0.2 0.890 121.3 48.2 -51.1 -43.8 -0.0 25.8 18.5 69 96 A I H < S+ 0 0 71 -4,-1.9 -2,-0.2 1,-0.1 -3,-0.2 0.939 133.7 6.5 -66.6 -47.0 -1.4 22.9 16.3 70 97 A F H < S+ 0 0 34 -4,-2.5 -3,-0.2 1,-0.1 3,-0.1 0.602 130.5 42.2-116.2 -19.4 -1.4 20.1 18.8 71 98 A S >< + 0 0 0 -4,-2.3 3,-1.0 -5,-0.5 -2,-0.1 -0.258 49.0 145.1-136.7 54.4 -0.5 21.5 22.2 72 99 A K T 3 S+ 0 0 54 -4,-0.3 31,-0.1 1,-0.3 -1,-0.1 0.816 90.3 35.9 -56.4 -35.3 -2.2 24.8 23.0 73 100 A D T 3 S- 0 0 88 330,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.350 117.6-106.5 -98.9 1.9 -2.5 23.7 26.7 74 101 A G S < S+ 0 0 0 -3,-1.0 3,-0.4 -7,-0.2 28,-0.2 0.283 99.8 94.4 97.5 -10.3 0.8 21.8 27.0 75 102 A T + 0 0 53 1,-0.2 -4,-0.1 4,-0.0 4,-0.1 0.331 52.5 91.2-100.0 7.8 -0.8 18.3 27.0 76 103 A G S S+ 0 0 12 -9,-0.1 211,-0.7 2,-0.1 2,-0.3 0.707 96.2 28.9 -80.4 -15.4 -0.6 17.4 23.2 77 104 A F B S-F 286 0B 0 -3,-0.4 209,-0.2 209,-0.2 31,-0.1 -0.899 103.8 -80.5-135.6 158.7 2.8 15.7 23.6 78 105 A Y - 0 0 57 207,-2.3 2,-0.8 -2,-0.3 207,-0.4 -0.323 48.7-111.0 -64.6 140.7 4.4 13.9 26.6 79 106 A N > - 0 0 34 1,-0.2 3,-1.6 208,-0.1 28,-0.2 -0.694 23.5-155.7 -82.5 110.8 6.0 16.3 29.2 80 107 A L G > S+ 0 0 0 26,-3.5 3,-1.3 -2,-0.8 -1,-0.2 0.618 86.5 73.8 -66.1 -14.4 9.7 15.7 28.8 81 108 A F G > S+ 0 0 70 1,-0.2 3,-0.9 25,-0.2 -1,-0.3 0.721 87.4 66.6 -68.1 -22.3 10.3 16.9 32.4 82 109 A S G < S+ 0 0 76 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.606 108.6 35.9 -67.6 -15.9 8.9 13.5 33.4 83 110 A V G X> S+ 0 0 4 -3,-1.3 3,-1.2 -4,-0.1 4,-1.1 -0.097 72.1 131.4-133.7 34.5 11.8 11.7 31.9 84 111 A K T <4 + 0 0 127 -3,-0.9 5,-0.4 1,-0.3 -1,-0.1 0.661 67.3 67.2 -71.7 -13.1 14.6 14.1 32.7 85 112 A E T 34 S+ 0 0 174 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.831 106.2 38.1 -76.6 -30.5 16.6 11.2 33.9 86 113 A Q T <4 S+ 0 0 55 -3,-1.2 2,-0.6 1,-0.1 -2,-0.2 0.671 113.9 66.9 -85.2 -15.5 16.9 9.6 30.4 87 114 A L S < S- 0 0 2 -4,-1.1 2,-1.9 -7,-0.2 3,-0.2 -0.908 74.7-144.3-117.9 113.7 17.3 13.1 28.8 88 115 A D > + 0 0 74 -2,-0.6 3,-1.3 1,-0.2 4,-0.2 -0.555 29.5 171.2 -74.0 81.4 20.4 15.3 29.5 89 116 A L G > + 0 0 27 -2,-1.9 3,-2.2 -5,-0.4 -1,-0.2 0.764 64.0 76.4 -65.4 -27.9 18.4 18.6 29.5 90 117 A A G 3 S+ 0 0 92 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.629 82.1 70.1 -65.0 -12.8 21.4 20.6 30.7 91 118 A Q G < S+ 0 0 35 -3,-1.3 231,-2.1 2,-0.1 2,-0.5 0.689 93.3 64.0 -68.4 -21.1 22.8 20.3 27.1 92 119 A F S < S- 0 0 2 -3,-2.2 229,-0.1 229,-0.2 5,-0.1 -0.892 98.2-110.9-110.9 126.4 20.0 22.6 25.9 93 120 A D >> - 0 0 76 -2,-0.5 4,-1.9 227,-0.2 3,-1.0 -0.369 22.7-129.6 -55.7 134.6 20.0 26.3 27.2 94 121 A P H 3> S+ 0 0 87 0, 0.0 4,-2.7 0, 0.0 -1,-0.1 0.784 110.4 63.0 -59.5 -27.3 16.9 26.7 29.5 95 122 A K H 3> S+ 0 0 30 2,-0.2 4,-1.0 1,-0.2 -2,-0.1 0.890 106.4 45.8 -51.0 -46.1 16.0 29.8 27.4 96 123 A E H X> S+ 0 0 1 -3,-1.0 3,-0.5 2,-0.2 4,-0.5 0.921 112.1 48.1 -66.3 -49.2 15.7 27.4 24.5 97 124 A L H >< S+ 0 0 12 -4,-1.9 3,-1.6 1,-0.2 10,-0.2 0.871 102.3 64.7 -61.7 -37.1 13.6 24.9 26.4 98 125 A Q H >< S+ 0 0 103 -4,-2.7 3,-1.4 1,-0.3 -1,-0.2 0.872 98.2 55.7 -50.7 -38.9 11.3 27.7 27.7 99 126 A Q H << S+ 0 0 7 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.729 110.3 44.2 -70.8 -21.2 10.3 28.2 24.1 100 127 A T T << S+ 0 0 0 -3,-1.6 7,-3.0 -4,-0.5 8,-0.8 0.118 95.9 97.0-106.3 18.8 9.2 24.5 23.8 101 128 A T E < -G 106 0C 35 -3,-1.4 2,-0.4 5,-0.3 5,-0.2 -0.908 52.0-172.5-109.5 130.7 7.5 24.6 27.2 102 129 A V E > S-G 105 0C 11 3,-2.2 3,-2.5 -2,-0.4 -29,-0.1 -0.999 74.0 -14.9-126.0 129.9 3.6 25.2 27.3 103 130 A N T 3 S- 0 0 96 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.841 130.7 -51.0 37.2 50.6 2.0 25.6 30.7 104 131 A G T 3 S+ 0 0 52 1,-0.2 2,-0.5 -6,-0.1 -1,-0.3 0.495 114.1 120.2 74.7 2.2 5.0 24.3 32.4 105 132 A K E < -G 102 0C 66 -3,-2.5 -3,-2.2 -25,-0.1 2,-0.8 -0.885 63.4-135.2-105.8 123.0 5.1 21.2 30.2 106 133 A L E +G 101 0C 0 -2,-0.5 -26,-3.5 -5,-0.2 -5,-0.3 -0.660 30.7 173.7 -78.6 107.5 8.3 20.6 28.1 107 134 A N + 0 0 0 -7,-3.0 2,-0.3 -2,-0.8 178,-0.3 0.602 56.5 1.5 -92.4 -20.0 6.7 19.5 24.8 108 135 A G - 0 0 0 -8,-0.8 176,-0.2 -11,-0.2 -1,-0.2 -0.987 57.3-129.3-159.4 154.8 9.8 19.3 22.5 109 136 A I E -D 283 0A 0 174,-2.4 174,-2.4 -2,-0.3 2,-0.3 -0.990 34.3-122.7-107.7 127.0 13.6 19.6 22.4 110 137 A P E -D 282 0A 0 0, 0.0 172,-0.3 0, 0.0 210,-0.3 -0.544 14.6-158.8 -67.4 125.4 14.9 21.9 19.6 111 138 A I E S- 0 0 11 170,-2.5 209,-2.4 1,-0.3 210,-0.5 0.921 76.3 -19.0 -62.6 -50.1 17.3 20.0 17.4 112 139 A S E -DE 281 319A 4 169,-0.7 168,-2.6 207,-0.3 169,-0.8 -0.917 68.1-150.0-152.9 160.5 18.8 23.2 16.1 113 140 A V E -D 279 0A 8 205,-0.5 2,-0.3 -2,-0.3 205,-0.1 -0.879 2.4-147.4-132.2 166.4 17.7 26.8 16.1 114 141 A T E -D 278 0A 10 164,-1.8 164,-3.6 -2,-0.3 2,-0.3 -0.929 11.1-158.6-129.7 152.2 18.3 29.9 13.9 115 142 A A E -D 277 0A 0 -2,-0.3 128,-1.8 162,-0.2 2,-0.4 -0.975 19.6-119.2-128.5 147.9 18.5 33.6 15.0 116 143 A R E +H 242 0D 5 160,-1.1 160,-0.3 -2,-0.3 2,-0.3 -0.748 45.3 149.5 -85.7 133.9 18.0 36.9 13.1 117 144 A I E -H 241 0D 1 124,-2.0 124,-2.4 -2,-0.4 2,-0.3 -0.935 45.1 -81.4-151.0 172.5 20.9 39.2 13.0 118 145 A F E +H 240 0D 2 -2,-0.3 144,-2.9 122,-0.2 2,-0.3 -0.599 34.2 178.5 -86.0 135.3 22.4 41.8 10.6 119 146 A Y E -HI 239 261D 1 120,-2.4 120,-2.5 -2,-0.3 2,-0.3 -0.984 14.6-157.5-127.7 148.8 24.6 41.2 7.6 120 147 A F E -HI 238 260D 3 140,-2.1 140,-2.1 -2,-0.3 2,-1.0 -0.890 27.2-113.5-129.5 146.0 25.9 44.0 5.4 121 148 A N E > - 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0 0 115 -2,-0.5 -1,-0.1 1,-0.1 -3,-0.0 0.984 5.7-155.7 -81.9 -65.5 33.3 25.5 10.7 336 363 A D S S+ 0 0 64 2,-0.2 -1,-0.1 0, 0.0 9,-0.1 -0.315 88.0 54.1 118.8 -40.7 33.5 28.6 12.9 337 364 A E S S+ 0 0 148 4,-0.1 -2,-0.0 5,-0.1 0, 0.0 0.746 74.0 105.9-106.6 -25.7 34.2 31.0 10.2 338 365 A D S >> S- 0 0 64 1,-0.1 4,-2.6 4,-0.1 3,-0.8 -0.339 76.1-131.1 -59.3 126.7 31.5 30.4 7.8 339 366 A P H 3> S+ 0 0 60 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.767 103.2 59.6 -84.2 -21.2 29.3 33.3 8.4 340 367 A S H 3> S+ 0 0 20 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.896 113.2 39.1 -60.5 -42.7 26.1 31.3 8.8 341 368 A V H <> S+ 0 0 8 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.889 115.8 53.2 -73.5 -40.1 27.7 29.4 11.8 342 369 A A H X S+ 0 0 23 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.849 104.7 55.2 -64.0 -36.8 29.3 32.7 13.0 343 370 A G H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.884 109.3 46.3 -66.2 -42.3 25.9 34.5 12.9 344 371 A L H X S+ 0 0 9 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.925 111.0 52.6 -66.5 -43.0 24.3 32.0 15.2 345 372 A N H X S+ 0 0 53 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.898 107.8 51.1 -62.6 -40.0 27.3 32.0 17.6 346 373 A M H X S+ 0 0 51 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.890 111.1 47.4 -57.7 -49.3 27.2 35.8 17.9 347 374 A A H < S+ 0 0 0 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.873 110.0 53.8 -59.0 -41.9 23.4 35.8 18.7 348 375 A L H < S+ 0 0 53 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.878 112.0 45.1 -61.1 -35.2 23.9 33.0 21.3 349 376 A E H < S+ 0 0 150 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.606 89.5 98.6 -93.1 -21.8 26.5 35.0 23.0 350 377 A L S < S- 0 0 33 -4,-1.4 2,-0.3 1,-0.1 -75,-0.0 -0.319 91.8 -92.7 -52.6 150.4 24.8 38.4 23.1 351 378 A P + 0 0 73 0, 0.0 -78,-3.1 0, 0.0 2,-0.3 -0.607 64.5 154.6 -66.9 125.5 23.0 39.2 26.4 352 379 A H + 0 0 41 -2,-0.3 -80,-0.1 -80,-0.3 -257,-0.1 -0.968 23.8 158.1-158.5 148.4 19.5 38.0 26.1 353 380 A K + 0 0 158 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 0.513 54.6 86.2-141.9 -40.6 16.7 36.9 28.4 354 381 A M - 0 0 43 -176,-0.1 -79,-0.3 -181,-0.0 2,-0.2 -0.555 60.7-159.1 -73.6 136.2 13.3 37.3 26.7 355 382 A T - 0 0 42 -2,-0.2 2,-0.4 -79,-0.1 -259,-0.1 -0.634 18.6-107.2-109.9 170.7 12.3 34.3 24.6 356 383 A T - 0 0 3 -79,-0.2 -80,-0.0 -2,-0.2 -81,-0.0 -0.794 20.5-132.1-104.8 136.0 9.8 34.2 21.8 357 384 A S > - 0 0 15 -2,-0.4 3,-1.4 1,-0.1 4,-0.3 -0.700 21.8-125.5 -76.0 144.0 6.3 32.6 22.0 358 385 A P G > S+ 0 0 14 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.725 109.4 68.2 -63.1 -21.2 5.6 30.3 19.0 359 386 A Y G > S+ 0 0 4 1,-0.2 3,-1.2 2,-0.2 6,-0.2 0.732 87.1 67.6 -69.1 -20.7 2.3 32.4 18.5 360 387 A F G < S+ 0 0 5 -3,-1.4 -1,-0.2 1,-0.2 38,-0.0 0.767 99.7 49.4 -68.2 -24.1 4.6 35.3 17.5 361 388 A D G < S+ 0 0 51 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.205 79.6 132.3 -99.1 8.3 5.6 33.4 14.4 362 389 A D <> - 0 0 24 -3,-1.2 4,-2.0 1,-0.1 3,-0.2 -0.433 60.6-134.7 -51.6 129.7 2.0 32.6 13.5 363 390 A P H > S+ 0 0 88 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.832 104.3 60.1 -72.5 -26.8 1.6 33.4 9.8 364 391 A Q H > S+ 0 0 98 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.904 107.4 47.4 -56.3 -44.1 -1.7 35.2 10.5 365 392 A I H > S+ 0 0 0 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.893 112.6 47.3 -58.7 -49.2 0.3 37.6 12.7 366 393 A V H X S+ 0 0 22 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.898 114.3 47.6 -59.6 -47.7 3.1 38.0 10.2 367 394 A S H X S+ 0 0 66 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.897 110.0 52.7 -62.1 -44.5 0.5 38.7 7.4 368 395 A L H X S+ 0 0 8 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.893 107.7 51.4 -53.3 -43.4 -1.4 41.1 9.6 369 396 A F H X S+ 0 0 1 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.886 108.1 52.6 -68.4 -41.3 1.8 43.0 10.2 370 397 A G H X S+ 0 0 5 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.919 109.9 48.2 -42.6 -62.3 2.3 43.2 6.4 371 398 A D H X S+ 0 0 61 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.936 110.4 52.8 -45.5 -50.8 -1.1 44.6 6.1 372 399 A A H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.892 109.2 46.9 -62.6 -42.0 -0.4 47.2 8.9 373 400 A I H X S+ 0 0 2 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.879 110.6 53.1 -73.1 -34.6 2.8 48.5 7.3 374 401 A Q H X S+ 0 0 87 -4,-2.1 4,-2.3 2,-0.2 6,-0.3 0.850 103.4 55.5 -59.5 -42.9 1.1 48.8 3.9 375 402 A Y H <>S+ 0 0 43 -4,-2.1 5,-2.5 2,-0.2 6,-1.2 0.941 112.6 46.0 -59.8 -46.1 -1.8 50.9 5.3 376 403 A I H ><5S+ 0 0 20 -4,-1.7 3,-1.8 -5,-0.2 -2,-0.2 0.989 115.0 44.0 -49.3 -63.7 0.9 53.2 6.5 377 404 A D H 3<5S+ 0 0 29 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.703 116.9 46.1 -67.0 -18.5 3.0 53.3 3.3 378 405 A Y T 3<5S- 0 0 102 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.222 111.5-115.7-106.1 12.2 -0.1 53.7 1.1 379 406 A G T < 5S+ 0 0 70 -3,-1.8 -3,-0.2 -4,-0.2 -4,-0.1 0.817 79.2 122.1 63.8 32.7 -1.7 56.4 3.2 380 407 A Q S - 0 0 79 -2,-0.3 4,-1.7 -3,-0.1 5,-0.1 -0.336 42.3 -96.5 -78.3 171.2 -2.4 57.0 10.1 383 410 A V H > S+ 0 0 23 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.878 127.3 50.7 -51.2 -38.4 0.3 55.5 12.4 384 411 A Q H > S+ 0 0 96 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.923 108.6 46.8 -76.3 -48.2 -2.3 55.7 15.2 385 412 A E H > S+ 0 0 103 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.829 114.9 50.2 -64.1 -28.7 -5.1 53.9 13.4 386 413 A T H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.939 106.3 52.4 -72.9 -50.4 -2.6 51.3 12.4 387 414 A A H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.880 115.2 43.9 -43.3 -45.5 -1.3 50.7 15.9 388 415 A E H X S+ 0 0 122 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.878 111.2 52.4 -76.9 -39.1 -4.9 50.2 17.1 389 416 A Y H X S+ 0 0 71 -4,-1.9 4,-3.1 -5,-0.2 5,-0.4 0.927 113.4 44.3 -60.6 -52.3 -5.8 48.0 14.2 390 417 A F H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 5,-0.3 0.898 111.8 53.0 -53.9 -49.8 -2.8 45.8 14.8 391 418 A N H X S+ 0 0 30 -4,-2.4 4,-1.8 -5,-0.2 -203,-0.2 0.941 118.0 37.4 -45.6 -52.7 -3.4 45.7 18.5 392 419 A K H X S+ 0 0 116 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.951 119.3 42.0 -73.9 -58.9 -7.0 44.6 17.9 393 420 A Q H X S+ 0 0 62 -4,-3.1 4,-1.8 2,-0.2 -3,-0.2 0.865 115.6 53.6 -57.0 -37.5 -6.8 42.3 15.0 394 421 A G H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.4 -2,-0.2 0.905 107.1 49.6 -65.4 -45.0 -3.6 40.7 16.5 395 422 A D H X S+ 0 0 45 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.822 108.5 54.3 -62.9 -33.7 -5.4 40.0 19.9 396 423 A R H X S+ 0 0 123 -4,-1.8 4,-1.7 2,-0.2 5,-0.2 0.908 109.7 47.4 -68.1 -35.7 -8.3 38.4 18.0 397 424 A I H X S+ 0 0 16 -4,-1.8 4,-3.0 1,-0.2 5,-0.2 0.989 114.7 45.4 -64.7 -52.3 -5.7 36.1 16.2 398 425 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.818 109.0 56.4 -57.8 -41.1 -4.0 35.2 19.6 399 426 A K H < S+ 0 0 165 -4,-2.1 4,-0.3 2,-0.2 -1,-0.2 0.937 115.5 36.7 -56.6 -52.3 -7.3 34.6 21.4 400 427 A R H >< S+ 0 0 147 -4,-1.7 3,-0.8 -5,-0.1 -2,-0.2 0.935 122.1 44.5 -59.3 -53.4 -8.4 32.0 18.8 401 428 A A H 3< S+ 0 0 11 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.873 109.8 51.7 -65.8 -38.0 -4.9 30.5 18.2 402 429 A M T 3< 0 0 1 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.1 0.462 360.0 360.0 -84.8 -3.6 -3.8 30.2 21.9 403 430 A R < 0 0 192 -3,-0.8 -1,-0.2 -4,-0.3 -330,-0.1 -0.200 360.0 360.0 -61.9 360.0 -7.0 28.4 22.9