==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHOTRANSFERASE 19-JAN-98 1A3A . COMPND 2 MOLECULE: MANNITOL-SPECIFIC EII; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.L.M.VAN MONTFORT,T.PIJNING,K.H.KALK,I.HANGYI,M.L.C.E.KOUWI . 576 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26155.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 414 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 39 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 0 1 3 4 0 4 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 8 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 PARALLEL BRIDGES PER LADDER . 5 3 0 0 0 0 0 4 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 0 0 1 3 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 4 A L 0 0 158 0, 0.0 2,-0.4 0, 0.0 110,-0.1 0.000 360.0 360.0 360.0 11.5 -4.4 42.8 39.1 2 5 A F - 0 0 12 73,-0.1 2,-0.2 109,-0.1 73,-0.1 -0.948 360.0-145.9-128.1 134.4 -6.8 40.4 37.5 3 6 A K - 0 0 175 -2,-0.4 73,-0.5 71,-0.3 2,-0.4 -0.529 13.3-160.5 -83.5 155.6 -10.5 39.8 38.1 4 7 A L + 0 0 24 -2,-0.2 2,-0.3 71,-0.1 73,-0.1 -0.983 25.3 137.5-141.5 128.2 -12.0 36.3 37.8 5 8 A G > - 0 0 24 -2,-0.4 3,-1.4 1,-0.0 4,-0.2 -0.921 68.8 -79.5-153.3 177.6 -15.7 35.5 37.3 6 9 A A G > S+ 0 0 65 -2,-0.3 3,-1.8 1,-0.3 -1,-0.0 0.872 121.9 66.5 -52.5 -39.3 -17.7 33.1 35.2 7 10 A E G 3 S+ 0 0 145 1,-0.3 -1,-0.3 3,-0.0 25,-0.1 0.822 108.3 35.9 -57.4 -31.7 -17.3 35.4 32.1 8 11 A N G < S+ 0 0 8 -3,-1.4 70,-3.2 69,-0.1 2,-0.4 0.131 99.4 91.1-111.9 25.9 -13.6 34.8 31.9 9 12 A I E < -a 78 0A 10 -3,-1.8 2,-0.5 -4,-0.2 70,-0.2 -0.959 53.4-171.7-117.2 125.5 -13.6 31.1 32.9 10 13 A F E -a 79 0A 36 68,-2.9 70,-3.0 -2,-0.4 3,-0.5 -0.850 9.0-171.5-123.9 94.0 -13.8 28.6 30.1 11 14 A L + 0 0 45 -2,-0.5 121,-0.1 1,-0.2 70,-0.1 -0.546 61.3 16.2 -87.4 152.3 -14.3 25.0 31.3 12 15 A G S S+ 0 0 49 119,-0.2 -1,-0.2 -2,-0.2 69,-0.2 0.833 79.3 163.2 61.9 39.1 -14.2 21.8 29.2 13 16 A R - 0 0 93 67,-2.6 70,-0.4 -3,-0.5 2,-0.3 -0.502 21.3-157.8 -83.9 159.0 -12.6 23.3 26.1 14 17 A K + 0 0 141 -2,-0.1 2,-0.3 67,-0.1 71,-0.1 -0.981 15.0 168.4-134.3 144.0 -11.0 21.1 23.4 15 18 A A - 0 0 19 69,-0.3 3,-0.0 -2,-0.3 -2,-0.0 -0.944 29.7-151.2-154.3 139.8 -8.3 22.1 20.9 16 19 A A S S+ 0 0 64 -2,-0.3 2,-0.3 69,-0.1 70,-0.2 0.748 84.9 25.1 -81.2 -25.8 -6.1 20.1 18.5 17 20 A T S > S- 0 0 61 1,-0.1 4,-1.6 68,-0.1 5,-0.1 -0.957 74.6-119.3-138.2 158.2 -3.2 22.6 18.5 18 21 A K H > S+ 0 0 30 68,-0.5 4,-2.9 -2,-0.3 5,-0.2 0.848 114.0 60.0 -64.7 -33.8 -1.8 25.2 20.8 19 22 A E H > S+ 0 0 96 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.927 104.9 49.1 -60.5 -41.6 -2.4 27.8 18.0 20 23 A E H > S+ 0 0 91 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.888 112.5 47.8 -61.8 -40.1 -6.1 27.0 18.2 21 24 A A H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.910 112.3 48.8 -68.7 -40.9 -6.0 27.4 22.0 22 25 A I H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 5,-0.2 0.939 111.6 49.2 -64.0 -43.4 -4.2 30.7 21.8 23 26 A R H X S+ 0 0 112 -4,-2.7 4,-3.0 -5,-0.2 -2,-0.2 0.922 111.3 49.8 -61.6 -43.9 -6.6 32.0 19.3 24 27 A F H X S+ 0 0 22 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.944 112.5 47.3 -59.6 -48.1 -9.6 31.0 21.4 25 28 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.940 113.6 48.1 -58.4 -47.6 -8.0 32.7 24.5 26 29 A G H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.933 109.4 52.9 -59.2 -46.0 -7.3 35.8 22.4 27 30 A E H X S+ 0 0 91 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.880 109.6 48.9 -59.6 -36.2 -10.9 35.8 21.0 28 31 A Q H X S+ 0 0 34 -4,-2.1 4,-2.6 2,-0.2 6,-0.2 0.838 106.4 55.0 -74.5 -29.1 -12.3 35.7 24.5 29 32 A L H <>S+ 0 0 0 -4,-1.9 5,-1.8 -5,-0.2 6,-1.3 0.867 111.3 47.4 -70.2 -31.4 -10.1 38.5 25.7 30 33 A V H ><5S+ 0 0 43 -4,-2.0 3,-2.0 4,-0.2 -2,-0.2 0.968 112.5 47.5 -66.9 -56.0 -11.6 40.5 22.8 31 34 A K H 3<5S+ 0 0 165 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.883 108.9 55.3 -54.0 -39.2 -15.2 39.4 23.7 32 35 A G T 3<5S- 0 0 16 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.410 116.3-110.9 -75.8 -0.6 -14.6 40.3 27.4 33 36 A G T < 5S+ 0 0 32 -3,-2.0 -3,-0.2 2,-0.2 -2,-0.1 0.516 87.8 114.3 83.3 7.3 -13.5 43.9 26.6 34 37 A Y S - 0 0 75 34,-2.8 3,-2.4 -2,-0.3 4,-0.3 -0.600 47.9 -99.3 -80.5 159.3 -8.8 44.9 20.6 37 40 A P T >> S+ 0 0 74 0, 0.0 3,-1.4 0, 0.0 4,-0.7 0.718 117.0 68.4 -54.9 -30.4 -8.7 42.2 17.9 38 41 A E H 3> S+ 0 0 96 1,-0.3 4,-1.3 2,-0.2 3,-0.1 0.745 86.6 71.3 -63.8 -21.2 -5.1 42.9 16.8 39 42 A Y H <> S+ 0 0 0 -3,-2.4 4,-2.1 31,-0.2 -1,-0.3 0.805 86.6 65.0 -65.6 -27.5 -4.0 41.5 20.2 40 43 A V H <> S+ 0 0 11 -3,-1.4 4,-1.9 -4,-0.3 3,-0.3 0.968 104.0 44.6 -59.6 -49.1 -4.9 38.0 19.1 41 44 A Q H X S+ 0 0 94 -4,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.863 108.8 58.2 -62.8 -34.7 -2.3 38.0 16.5 42 45 A A H X S+ 0 0 6 -4,-1.3 4,-2.9 2,-0.2 -1,-0.2 0.865 104.8 51.5 -62.2 -36.1 0.2 39.5 19.0 43 46 A M H X S+ 0 0 0 -4,-2.1 4,-2.0 -3,-0.3 19,-0.3 0.906 111.3 46.0 -66.9 -42.7 -0.4 36.4 21.2 44 47 A L H X S+ 0 0 20 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.881 114.0 49.8 -65.8 -36.1 0.4 34.1 18.3 45 48 A D H >X S+ 0 0 74 -4,-2.5 3,-0.8 2,-0.2 4,-0.6 0.919 107.5 53.1 -68.0 -42.1 3.4 36.2 17.5 46 49 A R H >X S+ 0 0 21 -4,-2.9 4,-2.7 16,-0.3 3,-1.7 0.922 104.0 58.2 -57.8 -41.5 4.6 36.1 21.1 47 50 A E H 3< S+ 0 0 10 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.812 103.8 51.1 -60.3 -29.2 4.4 32.3 21.0 48 51 A K H << S+ 0 0 140 -4,-1.0 306,-0.5 -3,-0.8 -1,-0.3 0.533 115.2 43.7 -81.3 -11.0 6.8 32.2 18.0 49 52 A L H << S+ 0 0 22 -3,-1.7 -2,-0.2 -4,-0.6 -1,-0.1 0.807 135.8 0.7 -98.1 -48.5 9.3 34.4 19.9 50 53 A T S < S- 0 0 8 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.1 -0.797 81.4-129.6-148.0 96.8 9.2 32.8 23.4 51 54 A P - 0 0 10 0, 0.0 347,-0.5 0, 0.0 -4,-0.1 -0.189 12.6-141.8 -51.3 143.5 6.9 29.8 23.8 52 55 A T + 0 0 0 35,-0.1 8,-2.2 346,-0.1 2,-0.6 0.182 54.6 126.2-105.7 24.5 4.6 30.1 26.8 53 56 A Y E -B 59 0A 24 34,-0.3 6,-0.3 6,-0.2 346,-0.2 -0.645 34.3-174.8 -81.7 117.0 4.5 26.6 28.2 54 57 A L E - 0 0 26 4,-2.7 5,-0.2 -2,-0.6 -1,-0.2 0.570 37.9-117.9 -88.5 -12.8 5.5 26.9 31.9 55 58 A G E > S+B 58 0A 10 3,-0.8 3,-1.4 38,-0.0 -1,-0.3 -0.215 88.6 76.6 90.4 171.6 5.5 23.2 32.7 56 59 A E T 3 S- 0 0 133 1,-0.3 3,-0.1 -2,-0.1 39,-0.1 0.849 128.4 -59.1 51.7 43.4 3.3 21.4 35.2 57 60 A S T 3 S+ 0 0 21 37,-0.3 40,-2.2 1,-0.2 39,-1.9 0.594 109.1 118.4 70.3 16.8 0.3 21.6 32.8 58 61 A I E < +Bc 55 97A 11 -3,-1.4 -4,-2.7 37,-0.2 -3,-0.8 -0.928 35.0 177.6-119.8 142.0 0.2 25.4 32.5 59 62 A A E -Bc 53 98A 0 38,-2.1 40,-2.8 -2,-0.4 -6,-0.2 -0.985 10.4-164.2-133.3 148.0 0.7 27.8 29.6 60 63 A V - 0 0 0 -8,-2.2 40,-0.2 -2,-0.3 38,-0.1 -0.548 9.8-169.2-134.3 65.3 0.4 31.6 29.7 61 64 A P + 0 0 0 0, 0.0 40,-2.5 0, 0.0 2,-0.3 -0.313 18.8 163.8 -56.2 134.3 0.0 33.0 26.2 62 65 A H B -d 101 0A 6 -19,-0.3 -16,-0.3 38,-0.2 -15,-0.2 -0.885 31.5 -99.1-144.3 177.8 0.4 36.8 26.2 63 66 A G - 0 0 5 38,-0.6 2,-0.2 -2,-0.3 -20,-0.1 -0.039 36.5 -95.6 -91.4-164.9 1.0 39.6 23.8 64 67 A T > - 0 0 14 1,-0.1 3,-0.7 -25,-0.1 41,-0.3 -0.712 27.2-113.8-109.5 163.4 4.0 41.7 22.8 65 68 A V G > S+ 0 0 17 -2,-0.2 3,-1.7 1,-0.2 40,-0.3 0.873 116.4 61.8 -63.9 -35.7 5.3 45.1 24.0 66 69 A E G 3 S+ 0 0 97 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.795 102.9 50.5 -59.6 -29.6 4.5 46.4 20.5 67 70 A A G X S+ 0 0 13 -3,-0.7 3,-2.0 1,-0.2 4,-0.3 0.252 73.5 116.2 -95.6 14.0 0.8 45.6 21.0 68 71 A K G X S+ 0 0 47 -3,-1.7 3,-1.8 1,-0.3 -1,-0.2 0.855 71.7 55.9 -52.4 -38.7 0.5 47.3 24.4 69 72 A D G 3 S+ 0 0 142 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.585 94.5 68.9 -79.5 -0.2 -2.0 50.0 23.1 70 73 A R G < S+ 0 0 102 -3,-2.0 -34,-2.8 -35,-0.1 2,-0.6 0.509 81.3 93.8 -90.7 -2.9 -4.3 47.2 21.9 71 74 A V B < +F 35 0B 6 -3,-1.8 -36,-0.3 -4,-0.3 3,-0.1 -0.808 49.0 177.4 -93.2 123.9 -4.9 46.3 25.6 72 75 A L S S- 0 0 84 -38,-2.5 2,-0.3 -2,-0.6 -37,-0.2 0.757 70.9 -2.2 -94.9 -34.0 -8.0 48.0 27.0 73 76 A K S S- 0 0 88 -39,-2.1 -1,-0.4 2,-0.0 2,-0.2 -0.949 78.7-105.2-158.7 145.1 -7.9 46.6 30.5 74 77 A T + 0 0 24 -2,-0.3 -71,-0.3 -3,-0.1 2,-0.3 -0.452 62.4 110.3 -71.3 141.0 -5.6 44.1 32.3 75 78 A G E - E 0 102A 2 27,-2.1 27,-3.0 -2,-0.2 2,-0.3 -0.982 48.2-116.4 175.1-177.8 -7.0 40.7 32.8 76 79 A V E - E 0 101A 1 -73,-0.5 2,-0.4 -2,-0.3 25,-0.2 -0.913 9.0-138.6-135.8 167.4 -6.9 37.0 32.0 77 80 A V E - E 0 100A 1 23,-1.9 23,-2.0 -2,-0.3 2,-0.7 -0.999 20.0-148.2-125.6 120.8 -9.1 34.3 30.4 78 81 A F E -aE 9 99A 2 -70,-3.2 -68,-2.9 -2,-0.4 2,-0.5 -0.873 19.8-175.0 -90.9 111.3 -8.8 30.9 32.3 79 82 A C E -aE 10 98A 0 19,-2.3 19,-3.1 -2,-0.7 2,-0.5 -0.953 9.5-155.6-116.4 122.1 -9.3 28.2 29.7 80 83 A Q E - E 0 97A 4 -70,-3.0 -67,-2.6 -2,-0.5 17,-0.2 -0.825 12.4-177.3-101.2 128.8 -9.4 24.6 30.9 81 84 A Y E > - 0 0 3 15,-2.9 3,-2.2 -2,-0.5 4,-0.1 -0.815 2.1-176.8-120.7 82.7 -8.5 21.7 28.5 82 85 A P E 3 S+ 0 0 36 0, 0.0 -1,-0.1 0, 0.0 -68,-0.1 0.820 86.3 46.6 -54.5 -31.7 -9.1 18.5 30.5 83 86 A E E 3 S- 0 0 157 -70,-0.4 13,-0.1 1,-0.2 -69,-0.1 0.442 116.6-123.5 -88.9 -2.4 -7.8 16.3 27.6 84 87 A G E < - 0 0 16 -3,-2.2 2,-0.4 45,-0.1 -69,-0.3 0.251 13.5-126.7 78.6 154.5 -4.8 18.6 27.2 85 88 A V E - E 0 95A 4 10,-1.6 10,-3.2 -4,-0.1 2,-0.5 -0.983 28.5-116.8-135.9 128.5 -3.2 20.6 24.4 86 89 A R E + E 0 94A 123 -2,-0.4 -68,-0.5 -70,-0.2 8,-0.3 -0.564 43.8 159.8 -71.2 118.9 0.4 20.2 23.5 87 90 A F + 0 0 0 6,-2.4 -34,-0.3 -2,-0.5 7,-0.2 0.639 55.8 57.8-110.4 -22.8 2.1 23.5 24.2 88 91 A G S S- 0 0 7 5,-2.3 -70,-0.1 2,-0.3 307,-0.1 -0.191 94.7 -96.2 -98.6-169.4 5.8 22.4 24.5 89 92 A E S S+ 0 0 63 305,-0.4 2,-0.2 -2,-0.1 306,-0.1 0.697 96.9 58.8 -85.0 -24.4 8.1 20.6 22.1 90 93 A E S > S- 0 0 91 304,-0.1 3,-1.9 1,-0.1 -2,-0.3 -0.643 92.0-100.6-108.2 167.2 7.7 17.1 23.4 91 94 A E T 3 S+ 0 0 67 1,-0.3 -3,-0.1 -2,-0.2 -1,-0.1 0.881 119.5 44.9 -51.7 -45.8 4.8 14.7 23.8 92 95 A D T 3 S+ 0 0 135 1,-0.2 2,-2.1 -6,-0.1 -1,-0.3 0.440 80.8 105.0 -83.9 6.4 4.2 15.2 27.5 93 96 A D < + 0 0 17 -3,-1.9 -6,-2.4 -37,-0.1 -5,-2.3 -0.393 56.4 154.5 -85.3 64.5 4.6 19.0 27.3 94 97 A I E - E 0 86A 49 -2,-2.1 2,-0.5 -8,-0.3 -37,-0.3 -0.762 36.3-151.9-102.1 136.6 0.8 19.3 27.7 95 98 A A E + E 0 85A 0 -10,-3.2 -10,-1.6 -2,-0.4 -37,-0.2 -0.905 20.6 169.4-106.8 130.9 -1.2 22.1 29.0 96 99 A R E S+ 0 0 36 -39,-1.9 -15,-2.9 -2,-0.5 2,-0.5 0.524 78.9 52.6-105.7 -16.8 -4.5 21.5 30.7 97 100 A L E -cE 58 80A 0 -40,-2.2 -38,-2.1 -17,-0.2 2,-0.6 -0.982 65.2-179.0-121.9 114.8 -4.7 25.1 32.0 98 101 A V E -cE 59 79A 0 -19,-3.1 -19,-2.3 -2,-0.5 2,-0.7 -0.972 5.4-171.2-116.3 111.4 -4.2 27.8 29.3 99 102 A I E - E 0 78A 2 -40,-2.8 2,-0.4 -2,-0.6 -21,-0.2 -0.919 8.3-156.9-108.2 102.4 -4.3 31.3 30.9 100 103 A G E - E 0 77A 0 -23,-2.0 -23,-1.9 -2,-0.7 2,-0.5 -0.702 13.7-150.3 -79.0 137.5 -4.4 34.0 28.2 101 104 A I E -dE 62 76A 0 -40,-2.5 2,-0.7 -2,-0.4 -38,-0.6 -0.941 16.9-162.1-120.3 132.6 -3.1 37.3 29.5 102 105 A A E + E 0 75A 0 -27,-3.0 -27,-2.1 -2,-0.5 2,-0.3 -0.938 37.8 143.2-105.8 110.8 -4.0 40.9 28.5 103 106 A A - 0 0 5 -2,-0.7 2,-0.3 -29,-0.2 -40,-0.2 -0.979 43.1-125.1-152.3 141.6 -1.3 43.1 29.9 104 107 A R S > S- 0 0 81 -2,-0.3 3,-2.4 3,-0.1 -39,-0.1 -0.634 72.0 -21.1 -91.8 150.6 0.5 46.2 28.6 105 108 A N T 3 S- 0 0 64 -40,-0.3 3,-0.3 -41,-0.3 -2,-0.1 -0.398 129.9 -27.0 59.0-124.4 4.3 46.6 28.2 106 109 A N T > S+ 0 0 32 1,-0.2 3,-1.7 2,-0.1 4,-0.5 0.087 102.0 116.9-111.3 27.9 5.9 44.0 30.4 107 110 A E T <> + 0 0 71 -3,-2.4 4,-1.4 1,-0.3 3,-0.4 0.678 59.2 78.3 -71.3 -10.8 3.1 43.8 32.9 108 111 A H H 3> S+ 0 0 11 -3,-0.3 4,-3.0 1,-0.2 -1,-0.3 0.804 83.0 66.9 -62.0 -33.9 2.6 40.1 31.9 109 112 A I H <> S+ 0 0 11 -3,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.943 102.7 42.8 -53.0 -49.2 5.6 39.3 34.1 110 113 A Q H > S+ 0 0 89 -4,-0.5 4,-2.4 -3,-0.4 -1,-0.2 0.877 112.7 53.6 -70.5 -30.3 3.7 40.3 37.3 111 114 A V H X S+ 0 0 9 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.934 110.4 47.1 -67.1 -45.2 0.6 38.4 36.1 112 115 A I H X S+ 0 0 4 -4,-3.0 4,-3.2 2,-0.2 -2,-0.2 0.893 110.7 52.4 -62.6 -41.1 2.7 35.3 35.6 113 116 A T H X S+ 0 0 18 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.934 110.5 48.2 -59.1 -48.0 4.3 35.7 39.0 114 117 A S H X S+ 0 0 14 -4,-2.4 4,-1.7 2,-0.2 31,-0.3 0.925 115.9 42.9 -58.1 -48.2 0.9 36.0 40.6 115 118 A L H X S+ 0 0 5 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.909 111.2 55.3 -65.0 -43.4 -0.4 32.9 38.7 116 119 A T H < S+ 0 0 40 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.895 110.8 44.7 -57.2 -42.6 2.8 30.9 39.4 117 120 A N H >< S+ 0 0 80 -4,-2.2 3,-0.9 1,-0.2 4,-0.2 0.857 112.7 51.0 -74.4 -29.8 2.5 31.5 43.1 118 121 A A H 3< S+ 0 0 19 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.699 113.7 46.0 -76.4 -21.5 -1.2 30.6 43.1 119 122 A L T 3< S+ 0 0 8 -4,-1.6 -1,-0.2 1,-0.1 -2,-0.2 -0.096 75.8 108.4-111.1 30.7 -0.6 27.4 41.2 120 123 A D < + 0 0 131 -3,-0.9 2,-0.4 -5,-0.1 -1,-0.1 0.935 60.2 83.6 -74.4 -41.5 2.4 26.0 43.2 121 124 A D S >> S- 0 0 76 -4,-0.2 4,-1.7 -3,-0.2 3,-0.7 -0.415 71.9-150.3 -67.4 119.2 0.3 23.3 44.8 122 125 A E H 3> S+ 0 0 128 -2,-0.4 4,-2.1 1,-0.3 -1,-0.2 0.839 96.5 56.5 -58.1 -34.7 0.1 20.3 42.4 123 126 A S H 3> S+ 0 0 56 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.815 102.5 55.9 -70.4 -30.2 -3.3 19.3 43.7 124 127 A V H <> S+ 0 0 14 -3,-0.7 4,-2.7 2,-0.2 5,-0.2 0.919 107.9 47.9 -67.8 -41.9 -4.6 22.8 42.9 125 128 A I H X S+ 0 0 8 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.936 112.1 50.5 -61.2 -45.3 -3.6 22.4 39.3 126 129 A E H X S+ 0 0 74 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.932 111.8 45.8 -61.2 -46.4 -5.2 18.9 39.2 127 130 A R H >X S+ 0 0 102 -4,-2.4 4,-2.0 1,-0.2 3,-0.7 0.942 114.7 48.6 -63.0 -45.3 -8.5 20.2 40.6 128 131 A L H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.841 106.6 56.7 -61.1 -37.8 -8.5 23.1 38.2 129 132 A A H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.782 122.6 23.6 -66.3 -28.3 -7.7 21.0 35.2 130 133 A H H << S+ 0 0 96 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.459 87.9 117.9-120.7 -5.6 -10.8 18.8 35.7 131 134 A T < - 0 0 12 -4,-2.0 -119,-0.2 -5,-0.1 -51,-0.0 -0.263 43.2-161.5 -64.0 151.8 -13.4 20.7 37.7 132 135 A T + 0 0 137 -121,-0.1 2,-0.6 -120,-0.0 -1,-0.1 0.283 65.6 95.7-111.1 7.9 -16.8 21.3 36.2 133 136 A S > - 0 0 41 1,-0.2 4,-2.0 2,-0.0 5,-0.1 -0.866 53.7-166.7-111.5 121.8 -17.5 24.1 38.7 134 137 A V H > S+ 0 0 46 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.913 97.0 58.6 -61.9 -43.2 -17.0 27.8 38.3 135 138 A D H > S+ 0 0 126 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.909 106.5 47.2 -51.2 -49.1 -17.5 28.1 42.1 136 139 A E H > S+ 0 0 64 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.901 109.6 52.8 -65.2 -37.8 -14.5 25.8 42.6 137 140 A V H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.942 111.1 47.6 -59.5 -47.6 -12.3 27.6 40.1 138 141 A L H < S+ 0 0 53 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.913 114.3 46.5 -59.7 -41.3 -13.0 30.9 41.9 139 142 A E H >< S+ 0 0 157 -4,-2.2 3,-1.0 -5,-0.2 4,-0.3 0.902 110.9 51.7 -68.3 -42.8 -12.3 29.3 45.3 140 143 A L H 3< S+ 0 0 32 -4,-3.0 3,-0.3 1,-0.2 -1,-0.2 0.785 116.8 39.7 -67.0 -27.3 -9.1 27.6 44.1 141 144 A L T >< S+ 0 0 4 -4,-1.7 3,-1.4 -5,-0.2 -1,-0.2 0.343 85.8 98.6-104.5 10.5 -7.7 30.8 42.8 142 145 A A T < S+ 0 0 66 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.1 0.723 74.8 64.1 -71.6 -17.5 -8.9 33.1 45.6 143 146 A G T 3 S+ 0 0 47 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.527 72.9 125.9 -82.8 -3.3 -5.5 33.0 47.3 144 147 A R < 0 0 63 -3,-1.4 -29,-0.1 -26,-0.1 -30,-0.1 -0.275 360.0 360.0 -57.8 140.5 -3.8 34.7 44.3 145 148 A K 0 0 215 -31,-0.3 -28,-0.1 -144,-0.0 -27,-0.1 -0.866 360.0 360.0-120.3 360.0 -1.8 37.8 45.4 146 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 147 5 B F 0 0 97 0, 0.0 73,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 134.6 1.0 5.9 -0.5 148 6 B K - 0 0 175 71,-0.3 73,-0.5 73,-0.0 2,-0.4 -0.454 360.0-149.9 -88.7 164.6 4.5 4.9 -1.7 149 7 B L + 0 0 54 -2,-0.1 2,-0.3 71,-0.1 73,-0.1 -0.977 30.4 134.1-142.0 125.5 6.0 1.5 -1.7 150 8 B G > - 0 0 26 -2,-0.4 3,-1.0 1,-0.0 4,-0.2 -0.862 68.0 -73.7-150.9-175.4 9.7 0.5 -1.4 151 9 B A G > S+ 0 0 66 -2,-0.3 3,-1.6 1,-0.3 129,-0.0 0.830 121.0 64.1 -59.8 -36.7 11.9 -2.0 0.5 152 10 B E G 3 S+ 0 0 147 1,-0.3 -1,-0.3 3,-0.1 25,-0.0 0.807 110.2 38.6 -59.8 -32.4 11.6 -0.1 3.8 153 11 B N G < S+ 0 0 10 -3,-1.0 70,-3.4 69,-0.1 2,-0.5 0.233 98.8 89.3-106.4 21.4 7.9 -0.7 4.0 154 12 B I E < -g 223 0C 11 -3,-1.6 2,-0.5 -4,-0.2 70,-0.2 -0.944 53.0-174.9-114.9 123.1 7.9 -4.3 2.7 155 13 B F E -g 224 0C 37 68,-3.1 70,-3.1 -2,-0.5 3,-0.4 -0.874 8.0-171.5-122.4 98.4 8.3 -7.0 5.3 156 14 B L + 0 0 43 -2,-0.5 121,-0.1 1,-0.2 70,-0.1 -0.524 60.3 18.7 -92.7 156.1 8.7 -10.6 3.9 157 15 B G S S+ 0 0 50 119,-0.3 -1,-0.2 -2,-0.2 69,-0.2 0.806 77.5 161.8 60.1 37.8 8.7 -13.9 5.7 158 16 B R - 0 0 90 67,-2.6 70,-0.4 -3,-0.4 2,-0.3 -0.461 22.0-158.8 -82.3 158.4 7.1 -12.7 8.9 159 17 B K + 0 0 135 -2,-0.1 2,-0.3 67,-0.1 71,-0.1 -0.986 16.4 165.2-135.5 139.4 5.5 -15.1 11.4 160 18 B A - 0 0 18 -2,-0.3 3,-0.0 69,-0.3 -2,-0.0 -0.934 30.0-150.9-153.4 142.1 2.9 -14.4 14.0 161 19 B A S S+ 0 0 90 -2,-0.3 2,-0.3 69,-0.1 70,-0.3 0.714 83.6 25.8 -84.1 -28.9 0.7 -16.6 16.1 162 20 B T S > S- 0 0 67 68,-0.1 4,-1.8 1,-0.1 3,-0.2 -0.935 76.2-117.6-135.3 161.3 -2.2 -14.1 16.5 163 21 B K H > S+ 0 0 27 68,-0.4 4,-3.2 -2,-0.3 5,-0.2 0.848 113.1 60.2 -69.5 -32.3 -3.6 -11.1 14.7 164 22 B E H > S+ 0 0 88 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.891 105.6 49.0 -57.9 -41.7 -2.8 -8.8 17.6 165 23 B E H > S+ 0 0 93 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.919 113.0 46.4 -64.4 -42.3 0.9 -9.7 17.2 166 24 B A H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.918 112.9 50.1 -66.6 -38.8 0.8 -9.0 13.5 167 25 B I H X S+ 0 0 0 -4,-3.2 4,-2.8 2,-0.2 5,-0.2 0.930 110.1 50.1 -65.9 -42.7 -1.1 -5.7 14.1 168 26 B R H X S+ 0 0 119 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.894 111.1 49.8 -61.0 -42.7 1.5 -4.7 16.7 169 27 B F H X S+ 0 0 22 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.932 112.7 45.7 -59.6 -52.4 4.3 -5.5 14.3 170 28 B A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.913 113.1 50.5 -57.9 -48.2 2.7 -3.4 11.4 171 29 B G H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.898 108.8 52.2 -55.2 -46.0 2.0 -0.5 13.8 172 30 B E H X S+ 0 0 90 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.870 109.1 49.6 -59.0 -40.6 5.6 -0.5 15.0 173 31 B Q H X S+ 0 0 28 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.822 106.0 55.9 -71.2 -29.8 6.9 -0.4 11.4 174 32 B L H <>S+ 0 0 0 -4,-1.9 5,-2.5 2,-0.2 6,-1.2 0.880 111.0 45.7 -67.3 -37.0 4.5 2.5 10.7 175 33 B V H ><5S+ 0 0 46 -4,-1.8 3,-1.5 4,-0.2 -2,-0.2 0.944 113.5 48.0 -67.5 -50.4 6.2 4.3 13.6 176 34 B K H 3<5S+ 0 0 153 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.871 109.7 53.3 -60.2 -36.4 9.7 3.4 12.5 177 35 B G T 3<5S- 0 0 20 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.481 117.3-114.1 -75.9 -5.9 9.0 4.5 8.9 178 36 B G T < 5S+ 0 0 31 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.682 84.7 117.0 81.2 20.8 7.8 7.9 10.2 179 37 B Y S - 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