==== 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 SYSTEM 25-FEB-98 1A6J . COMPND 2 MOLECULE: NITROGEN REGULATORY IIA PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.BORDO,R.VAN MONTFORT,T.PIJNING,K.H.KALK,J.REIZER,M.H.SAIER . 307 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13950.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 7.8 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 20 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 0 1 4 0 1 2 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 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 PARALLEL BRIDGES PER LADDER . 1 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 8 A L 0 0 118 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.7 12.3 52.4 -14.6 2 9 A Q > - 0 0 117 1,-0.1 3,-0.7 2,-0.0 4,-0.3 -0.948 360.0-161.2-117.0 128.7 11.2 50.5 -17.7 3 10 A L G >> S+ 0 0 5 -2,-0.5 4,-2.5 144,-0.4 3,-2.3 0.888 92.4 69.3 -70.9 -38.4 12.8 47.2 -18.9 4 11 A S G 34 S+ 0 0 45 143,-0.3 -1,-0.2 1,-0.3 5,-0.1 0.755 87.4 73.7 -50.5 -22.9 11.4 47.7 -22.3 5 12 A S G <4 S+ 0 0 78 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.876 113.9 16.9 -59.4 -42.6 14.0 50.5 -22.3 6 13 A V T <4 S+ 0 0 4 -3,-2.3 72,-2.6 -4,-0.3 2,-0.6 0.624 121.4 65.1-106.3 -18.9 17.0 48.1 -22.6 7 14 A L < + 0 0 0 -4,-2.5 2,-0.2 70,-0.2 -1,-0.2 -0.923 59.1 179.5-114.5 116.3 15.2 44.9 -23.8 8 15 A N > - 0 0 28 -2,-0.6 3,-1.2 70,-0.4 4,-0.1 -0.650 43.4-102.9-105.5 168.4 13.5 44.8 -27.2 9 16 A R G > S+ 0 0 103 1,-0.3 3,-1.2 -2,-0.2 134,-0.1 0.761 115.2 64.8 -62.5 -26.2 11.7 41.8 -28.7 10 17 A E G 3 S+ 0 0 96 1,-0.3 -1,-0.3 3,-0.0 69,-0.0 0.769 104.8 44.6 -70.2 -25.7 14.6 40.9 -31.0 11 18 A C G < S+ 0 0 0 -3,-1.2 69,-2.8 67,-0.1 2,-0.6 0.180 94.4 91.3-102.5 16.0 16.9 40.1 -28.1 12 19 A T E < +a 80 0A 0 -3,-1.2 2,-0.3 67,-0.2 69,-0.2 -0.958 58.0 176.0-112.1 115.9 14.2 38.1 -26.2 13 20 A R E -a 81 0A 96 67,-2.9 69,-1.1 -2,-0.6 2,-0.3 -0.918 13.6-160.1-126.6 153.6 14.4 34.4 -27.2 14 21 A S E + 0 0 12 -2,-0.3 125,-0.1 67,-0.2 69,-0.1 -0.897 67.0 17.4-130.2 159.0 12.6 31.3 -26.1 15 22 A R E S+ 0 0 97 -2,-0.3 68,-0.2 121,-0.2 -1,-0.1 0.748 76.4 178.3 53.1 31.9 13.2 27.5 -26.2 16 23 A V E -a 83 0A 20 66,-2.1 68,-3.7 -3,-0.1 2,-0.6 -0.347 17.4-149.8 -65.1 136.7 16.9 28.1 -26.9 17 24 A H + 0 0 131 66,-0.2 2,-0.3 67,-0.2 -1,-0.1 -0.955 34.5 139.0-114.3 116.5 18.9 24.9 -27.2 18 25 A C - 0 0 8 -2,-0.6 67,-0.2 67,-0.3 3,-0.0 -0.971 40.2-146.8-153.6 146.0 22.6 25.0 -26.2 19 26 A Q S S+ 0 0 196 -2,-0.3 2,-0.3 68,-0.1 69,-0.2 0.317 71.1 29.1-100.9 7.2 24.7 22.5 -24.3 20 27 A S S > S- 0 0 55 1,-0.1 4,-2.1 67,-0.1 5,-0.1 -0.986 73.2-109.3-158.4 169.8 27.2 24.7 -22.3 21 28 A K H > S+ 0 0 42 -2,-0.3 4,-2.9 67,-0.3 5,-0.2 0.904 114.7 54.3 -69.7 -42.0 27.9 28.0 -20.6 22 29 A K H > S+ 0 0 140 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.890 110.6 46.1 -59.7 -42.6 30.4 29.1 -23.3 23 30 A R H > S+ 0 0 102 2,-0.2 4,-3.1 1,-0.2 3,-0.3 0.943 110.7 52.9 -66.9 -45.6 27.8 28.6 -26.1 24 31 A A H X S+ 0 0 3 -4,-2.1 4,-2.3 1,-0.3 -2,-0.2 0.935 111.2 46.9 -56.2 -45.5 25.1 30.3 -24.0 25 32 A L H X S+ 0 0 4 -4,-2.9 4,-1.6 1,-0.2 -1,-0.3 0.800 111.9 51.6 -67.0 -29.1 27.4 33.3 -23.6 26 33 A E H X S+ 0 0 64 -4,-1.5 4,-2.1 -3,-0.3 -2,-0.2 0.938 109.2 48.8 -72.3 -46.0 28.2 33.2 -27.3 27 34 A I H X S+ 0 0 31 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.911 111.9 48.9 -58.0 -46.6 24.6 33.2 -28.4 28 35 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 5,-0.2 0.888 109.3 54.4 -60.7 -38.9 23.8 36.1 -26.0 29 36 A S H X S+ 0 0 1 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.873 107.9 49.7 -62.7 -39.8 26.8 37.9 -27.5 30 37 A E H X S+ 0 0 105 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.985 109.1 50.2 -63.1 -55.3 25.5 37.5 -31.0 31 38 A L H X S+ 0 0 22 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.816 116.5 40.9 -51.2 -42.9 22.0 38.8 -30.2 32 39 A A H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.842 110.5 58.9 -77.2 -32.6 23.3 41.9 -28.5 33 40 A A H >X>S+ 0 0 3 -4,-2.0 4,-1.9 -5,-0.2 5,-1.3 0.956 100.7 55.5 -60.7 -47.6 26.0 42.4 -31.2 34 41 A K H 3<5S+ 0 0 161 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.896 110.0 47.6 -51.6 -42.7 23.4 42.6 -33.9 35 42 A Q H 3<5S+ 0 0 46 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.762 116.9 40.3 -72.6 -28.2 21.7 45.4 -32.0 36 43 A L H <<5S- 0 0 27 -4,-1.5 -1,-0.2 -3,-0.8 -2,-0.2 0.537 103.5-125.3 -97.9 -7.6 24.9 47.4 -31.4 37 44 A S T <5 + 0 0 113 -4,-1.9 -3,-0.2 -3,-0.3 -4,-0.1 0.978 69.5 129.3 57.9 53.3 26.4 46.8 -34.8 38 45 A L < - 0 0 47 -5,-1.3 -1,-0.3 -6,-0.1 -2,-0.2 -0.950 69.9 -97.3-133.5 148.6 29.5 45.4 -33.2 39 46 A P >> - 0 0 62 0, 0.0 3,-2.5 0, 0.0 4,-0.9 -0.598 34.7-123.2 -73.0 129.3 31.2 42.1 -33.9 40 47 A P H >> S+ 0 0 45 0, 0.0 4,-3.0 0, 0.0 3,-0.6 0.819 105.9 67.8 -35.8 -49.5 30.1 39.4 -31.4 41 48 A Q H 3> S+ 0 0 123 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.784 99.5 50.5 -47.8 -34.0 33.6 38.7 -30.3 42 49 A V H <> S+ 0 0 66 -3,-2.5 4,-2.1 2,-0.2 -1,-0.3 0.922 111.5 46.6 -71.5 -44.8 33.9 42.1 -28.7 43 50 A V H X S+ 0 0 9 -4,-1.0 3,-2.3 -3,-0.3 4,-1.2 0.900 111.6 57.1 -76.1 -43.6 33.2 40.0 -15.8 51 58 A E H 3< S+ 0 0 16 -4,-2.7 3,-0.4 1,-0.3 -2,-0.2 0.845 101.0 59.7 -56.9 -33.8 32.4 36.3 -15.7 52 59 A K T 3< S+ 0 0 149 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.592 100.9 55.4 -70.9 -12.4 36.1 35.7 -15.0 53 60 A M T <4 S- 0 0 99 -3,-2.3 2,-0.2 1,-0.4 -1,-0.2 0.769 131.7 -27.1 -88.9 -28.7 35.7 37.8 -11.8 54 61 A G S < S- 0 0 11 -4,-1.2 -1,-0.4 -3,-0.4 2,-0.1 -0.807 73.2 -89.8 177.2 137.7 32.9 35.7 -10.5 55 62 A S - 0 0 8 -2,-0.2 37,-0.1 35,-0.2 35,-0.1 -0.392 29.3-147.6 -58.0 134.0 30.2 33.5 -11.9 56 63 A T + 0 0 0 33,-0.1 8,-2.6 -2,-0.1 2,-1.0 0.155 63.6 115.6 -88.6 12.2 27.0 35.5 -12.5 57 64 A G E -B 63 0A 0 6,-0.3 35,-2.0 32,-0.3 6,-0.3 -0.798 46.2-171.6 -86.1 105.2 24.7 32.6 -11.7 58 65 A I E - 0 0 6 -2,-1.0 5,-0.1 4,-0.6 -1,-0.1 0.189 46.0 -90.9 -84.4 15.1 22.9 34.0 -8.6 59 66 A G E > S+B 62 0A 2 3,-0.7 3,-0.8 36,-0.1 -1,-0.3 0.002 98.3 66.7 94.8 158.0 21.2 30.7 -7.7 60 67 A N T 3 S- 0 0 41 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.888 125.2 -58.9 59.2 46.4 17.8 29.1 -8.5 61 68 A G T 3 S+ 0 0 2 1,-0.2 37,-2.0 36,-0.1 38,-1.9 0.644 107.2 125.7 62.6 18.3 18.5 28.6 -12.2 62 69 A I E < +Bc 59 99A 4 -3,-0.8 -3,-0.7 35,-0.2 -4,-0.6 -0.870 33.2 177.0-111.7 139.8 19.1 32.3 -12.7 63 70 A A E -Bc 57 100A 0 36,-2.0 38,-1.9 -2,-0.4 -6,-0.3 -0.998 13.9-165.6-140.4 136.2 22.1 33.9 -14.3 64 71 A I - 0 0 0 -8,-2.6 38,-0.2 -2,-0.4 2,-0.1 -0.725 13.0-171.2-123.8 79.3 22.7 37.6 -15.0 65 72 A P + 0 0 0 0, 0.0 38,-1.7 0, 0.0 2,-0.3 -0.469 15.8 168.0 -67.3 142.9 25.7 37.9 -17.4 66 73 A H E +d 103 0A 2 -19,-0.3 2,-0.3 36,-0.3 -16,-0.2 -0.991 14.1 170.6-157.0 152.5 26.9 41.5 -17.9 67 74 A G E -d 104 0A 5 36,-1.7 38,-2.2 -2,-0.3 2,-0.4 -0.980 27.9-120.0-160.4 155.3 29.7 43.5 -19.3 68 75 A K E -d 105 0A 131 -22,-0.3 2,-0.1 -2,-0.3 36,-0.1 -0.829 27.8-170.2-104.5 140.1 30.6 47.1 -20.1 69 76 A L E -d 106 0A 11 36,-2.3 38,-1.4 -2,-0.4 2,-0.1 -0.191 36.2 -54.4-107.8-159.2 31.5 48.3 -23.6 70 77 A E > - 0 0 123 36,-0.2 3,-1.8 37,-0.1 -1,-0.2 -0.453 44.4-116.3 -82.0 155.9 32.9 51.4 -25.1 71 78 A E G > S+ 0 0 131 1,-0.3 3,-1.6 35,-0.2 -1,-0.1 0.834 109.9 72.3 -61.3 -29.8 31.5 54.9 -24.6 72 79 A D G 3 S+ 0 0 125 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.547 75.6 86.4 -63.8 -5.0 30.7 55.1 -28.4 73 80 A T G < - 0 0 13 -3,-1.8 2,-1.1 1,-0.1 -1,-0.3 0.739 69.9-168.0 -69.0 -26.3 27.9 52.6 -27.7 74 81 A L < + 0 0 134 -3,-1.6 2,-0.3 -4,-0.1 -1,-0.1 0.149 60.3 42.4 60.4 -20.5 25.4 55.3 -26.7 75 82 A R S S- 0 0 82 -2,-1.1 2,-0.4 -39,-0.0 -69,-0.1 -0.984 79.4-113.8-151.2 159.3 22.8 52.9 -25.3 76 83 A A - 0 0 5 -2,-0.3 2,-0.4 29,-0.1 29,-0.2 -0.774 26.8-157.4 -97.1 139.3 22.6 49.9 -23.1 77 84 A V E - E 0 104A 1 27,-2.2 27,-3.2 -2,-0.4 2,-0.3 -0.967 5.0-165.5-119.6 132.5 21.4 46.6 -24.6 78 85 A G E - E 0 103A 1 -72,-2.6 -70,-0.4 -2,-0.4 2,-0.4 -0.868 1.8-160.5-114.5 152.8 19.9 43.7 -22.7 79 86 A V E - E 0 102A 0 23,-2.6 23,-2.6 -2,-0.3 2,-0.4 -0.989 2.8-168.3-132.0 139.5 19.3 40.1 -23.8 80 87 A F E +aE 12 101A 0 -69,-2.8 -67,-2.9 -2,-0.4 2,-0.4 -0.952 10.4 173.6-135.6 115.4 16.9 37.6 -22.3 81 88 A V E -aE 13 100A 3 19,-2.1 19,-2.1 -2,-0.4 2,-0.6 -0.938 20.3-154.7-123.4 143.0 17.0 33.9 -23.3 82 89 A Q E - E 0 99A 8 -69,-1.1 -66,-2.1 -2,-0.4 2,-0.3 -0.976 21.9-142.5-114.9 113.5 15.2 30.9 -21.9 83 90 A L E -a 16 0A 8 15,-2.3 -66,-0.2 -2,-0.6 -68,-0.1 -0.581 7.6-142.0 -80.3 143.1 17.1 27.7 -22.4 84 91 A E E S+ 0 0 81 -68,-3.7 -67,-0.2 -2,-0.3 -1,-0.1 0.837 94.9 29.1 -69.3 -34.6 15.1 24.6 -23.2 85 92 A T E S- 0 0 71 -69,-0.5 -67,-0.3 -67,-0.2 -1,-0.2 -0.996 94.0-115.7-131.0 124.4 17.5 22.5 -21.1 86 93 A P E - 0 0 68 0, 0.0 2,-0.3 0, 0.0 12,-0.2 -0.280 30.8-146.4 -59.9 143.0 19.3 24.0 -18.0 87 94 A I E - E 0 97A 9 10,-2.7 10,-2.8 -26,-0.1 2,-0.3 -0.782 22.8-102.5-113.2 152.8 23.1 24.2 -18.2 88 95 A A + 0 0 78 -2,-0.3 -67,-0.3 8,-0.2 7,-0.1 -0.585 41.3 177.3 -68.2 134.1 25.8 23.9 -15.6 89 96 A F - 0 0 1 6,-0.4 -32,-0.3 -2,-0.3 -1,-0.1 0.326 50.3-107.7-126.9 13.0 26.8 27.4 -14.9 90 97 A D - 0 0 126 4,-0.2 -35,-0.2 1,-0.2 -33,-0.2 0.813 64.7-174.3 60.8 31.3 29.4 27.2 -12.1 91 98 A A > - 0 0 13 4,-0.3 3,-1.9 3,-0.2 -1,-0.2 -0.100 40.8-107.5 -61.8 156.3 26.5 28.7 -10.2 92 99 A I T 3 S+ 0 0 31 -35,-2.0 -1,-0.1 1,-0.3 -34,-0.1 0.730 120.7 32.3 -52.9 -27.6 26.5 29.9 -6.6 93 100 A D T 3 S- 0 0 31 2,-0.2 2,-1.4 -36,-0.1 -1,-0.3 0.062 107.6-113.6-121.5 18.8 24.4 26.8 -5.6 94 101 A N S < S+ 0 0 150 -3,-1.9 -5,-0.3 1,-0.2 -3,-0.2 -0.073 77.4 126.3 74.6 -31.9 25.7 24.1 -8.0 95 102 A Q - 0 0 83 -2,-1.4 -6,-0.4 1,-0.1 -4,-0.3 -0.070 64.5-106.4 -60.5 148.5 22.2 24.1 -9.6 96 103 A P - 0 0 50 0, 0.0 2,-0.3 0, 0.0 -8,-0.2 -0.437 29.7-125.4 -77.1 156.4 21.9 24.5 -13.5 97 104 A V E + E 0 87A 1 -10,-2.8 -10,-2.7 -2,-0.1 -35,-0.2 -0.779 35.2 160.1-107.4 142.5 20.7 27.7 -15.1 98 105 A D E + 0 0 29 -37,-2.0 -15,-2.3 -2,-0.3 2,-0.5 0.360 66.0 64.7-136.1 -5.3 17.9 28.1 -17.7 99 106 A L E +cE 62 82A 0 -38,-1.9 -36,-2.0 -17,-0.2 2,-0.4 -0.974 59.8 173.5-125.5 118.2 17.0 31.8 -17.4 100 107 A L E -cE 63 81A 0 -19,-2.1 -19,-2.1 -2,-0.5 2,-0.5 -0.987 15.8-175.7-130.5 132.4 19.6 34.4 -18.3 101 108 A F E - E 0 80A 0 -38,-1.9 2,-0.4 -2,-0.4 -21,-0.2 -0.989 15.1-169.1-123.1 114.7 19.3 38.1 -18.6 102 109 A A E - E 0 79A 0 -23,-2.6 -23,-2.6 -2,-0.5 2,-0.5 -0.897 4.2-160.9-107.7 139.8 22.5 39.8 -19.9 103 110 A L E -dE 66 78A 0 -38,-1.7 -36,-1.7 -2,-0.4 2,-0.7 -0.947 5.0-163.7-127.8 114.2 23.1 43.5 -19.8 104 111 A L E -dE 67 77A 1 -27,-3.2 -27,-2.2 -2,-0.5 -36,-0.2 -0.859 18.5-173.6 -98.3 114.4 25.7 45.3 -22.0 105 112 A V E -d 68 0A 0 -38,-2.2 -36,-2.3 -2,-0.7 -29,-0.1 -0.901 26.5-115.1-113.8 132.6 26.4 48.7 -20.6 106 113 A P E > -d 69 0A 0 0, 0.0 3,-2.4 0, 0.0 4,-0.2 -0.358 34.0-113.1 -62.5 146.1 28.5 51.5 -22.1 107 114 A A G > S+ 0 0 32 -38,-1.4 3,-0.7 1,-0.3 -37,-0.1 0.849 115.9 51.8 -47.8 -37.5 31.5 52.4 -19.9 108 115 A D G 3 S+ 0 0 92 1,-0.2 -1,-0.3 2,-0.1 -38,-0.1 0.243 107.2 49.3 -88.8 13.4 30.0 55.8 -19.2 109 116 A Q G <> + 0 0 43 -3,-2.4 4,-2.2 2,-0.1 -1,-0.2 0.117 69.6 112.5-135.3 19.4 26.5 54.7 -18.0 110 117 A T T <4 S+ 0 0 36 -3,-0.7 4,-0.3 -4,-0.2 -2,-0.1 0.771 75.4 56.1 -66.3 -28.6 27.4 52.0 -15.5 111 118 A K T >4 S+ 0 0 105 2,-0.2 3,-0.7 1,-0.1 4,-0.4 0.920 110.3 43.2 -69.8 -44.0 26.1 54.1 -12.6 112 119 A T T >4 S+ 0 0 91 1,-0.2 3,-2.1 2,-0.2 4,-0.4 0.961 112.7 52.8 -65.8 -49.3 22.6 54.5 -14.1 113 120 A H T 3X S+ 0 0 19 -4,-2.2 4,-2.4 1,-0.3 -1,-0.2 0.503 86.0 81.8 -68.9 -0.6 22.4 50.9 -15.2 114 121 A L H <> S+ 0 0 31 -3,-0.7 4,-2.3 -4,-0.3 -1,-0.3 0.832 92.6 52.6 -70.8 -27.9 23.2 49.7 -11.8 115 122 A H H <> S+ 0 0 88 -3,-2.1 4,-2.0 -4,-0.4 -1,-0.2 0.783 105.9 51.5 -75.9 -31.1 19.5 50.3 -11.1 116 123 A T H > S+ 0 0 6 -4,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.920 111.4 48.0 -70.9 -42.5 18.5 48.3 -14.1 117 124 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.955 111.4 49.6 -60.3 -50.0 20.7 45.4 -12.8 118 125 A S H X S+ 0 0 17 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.887 112.2 48.9 -54.3 -46.1 19.2 45.7 -9.4 119 126 A L H X S+ 0 0 39 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.923 112.4 46.7 -61.6 -50.8 15.6 45.7 -10.8 120 127 A V H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.982 113.7 47.1 -57.7 -57.6 16.2 42.7 -13.0 121 128 A A H X S+ 0 0 0 -4,-2.7 4,-0.6 1,-0.3 -2,-0.2 0.946 113.3 49.9 -50.2 -51.5 17.8 40.7 -10.3 122 129 A K H >< S+ 0 0 37 -4,-2.6 3,-1.0 40,-0.5 4,-0.4 0.873 110.7 50.1 -55.9 -42.0 15.1 41.6 -7.8 123 130 A R H >< S+ 0 0 69 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.937 108.3 50.4 -65.1 -45.5 12.4 40.6 -10.3 124 131 A L H 3< S+ 0 0 6 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.505 96.0 73.7 -72.1 -2.4 13.9 37.2 -11.1 125 132 A A T << S+ 0 0 16 -3,-1.0 2,-0.6 -4,-0.6 -1,-0.3 0.668 77.0 93.7 -82.6 -17.0 14.0 36.6 -7.3 126 133 A D <> - 0 0 33 -3,-1.8 4,-1.8 -4,-0.4 107,-0.2 -0.672 69.4-150.2 -82.1 124.4 10.3 36.2 -7.3 127 134 A K H > S+ 0 0 39 105,-2.2 4,-2.5 -2,-0.6 5,-0.2 0.856 91.7 51.9 -63.2 -38.7 9.3 32.6 -7.7 128 135 A T H > S+ 0 0 62 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.944 108.5 51.1 -68.9 -43.4 6.0 33.0 -9.5 129 136 A I H > S+ 0 0 37 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.938 112.6 47.9 -52.9 -46.2 7.5 35.3 -12.2 130 137 A C H X S+ 0 0 10 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.913 109.0 52.9 -63.4 -42.9 10.2 32.6 -12.7 131 138 A R H X S+ 0 0 199 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.936 112.4 45.1 -58.4 -48.7 7.6 29.8 -12.9 132 139 A R H >X S+ 0 0 117 -4,-2.6 3,-1.4 1,-0.2 4,-1.4 0.935 111.0 52.4 -60.8 -50.2 5.7 31.7 -15.5 133 140 A L H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.824 108.0 51.9 -56.6 -37.0 8.8 32.5 -17.5 134 141 A R H 3< S+ 0 0 88 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.647 110.0 51.0 -75.3 -14.5 9.9 28.9 -17.5 135 142 A A H << S+ 0 0 68 -3,-1.4 -2,-0.2 -4,-0.7 -1,-0.2 0.693 81.5 113.8 -94.1 -25.4 6.4 27.9 -18.9 136 143 A A < - 0 0 3 -4,-1.4 -121,-0.2 1,-0.1 3,-0.1 -0.098 45.1-167.8 -49.4 143.5 6.3 30.4 -21.8 137 144 A Q + 0 0 137 1,-0.1 2,-0.3 -123,-0.1 -1,-0.1 0.425 64.5 53.6-114.2 -2.5 6.3 28.8 -25.2 138 145 A S S > S- 0 0 48 1,-0.1 4,-2.7 -125,-0.1 5,-0.2 -0.979 73.7-126.8-137.9 152.9 6.9 32.0 -27.3 139 146 A D H > S+ 0 0 58 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.796 114.1 51.8 -61.1 -33.9 9.3 34.9 -27.6 140 147 A E H > S+ 0 0 78 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.886 108.7 49.5 -72.5 -38.5 6.4 37.3 -27.4 141 148 A E H > S+ 0 0 84 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.982 112.6 48.2 -62.6 -51.6 5.0 35.7 -24.3 142 149 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.936 112.1 47.4 -51.2 -57.3 8.5 35.8 -22.6 143 150 A Y H X S+ 0 0 18 -4,-2.2 4,-2.3 2,-0.2 6,-0.4 0.937 112.0 53.3 -51.3 -47.1 9.0 39.5 -23.5 144 151 A Q H X>S+ 0 0 27 -4,-2.6 4,-1.5 1,-0.2 5,-0.7 0.965 112.3 43.0 -51.0 -61.7 5.5 40.1 -22.2 145 152 A I H <5S+ 0 0 10 -4,-2.9 3,-0.3 1,-0.2 -2,-0.2 0.891 116.4 43.1 -54.0 -54.7 6.2 38.5 -18.9 146 153 A I H <5S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.859 116.8 44.3 -69.6 -32.5 9.6 39.9 -18.1 147 154 A T H <5S- 0 0 5 -4,-2.3 -144,-0.4 -5,-0.3 -143,-0.3 0.685 102.1-133.4 -81.9 -17.0 9.0 43.5 -19.2 148 155 A D T <5 + 0 0 115 -4,-1.5 2,-1.8 -5,-0.3 -3,-0.2 0.491 64.8 132.4 77.3 8.6 5.6 43.4 -17.4 149 156 A T < 0 0 69 -5,-0.7 -1,-0.2 -6,-0.4 -2,-0.1 -0.590 360.0 360.0 -90.3 70.6 3.8 45.0 -20.3 150 157 A E 0 0 164 -2,-1.8 -1,-0.2 -5,-0.1 -5,-0.2 -0.392 360.0 360.0 118.5 360.0 1.0 42.4 -20.1 151 !* 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 0.0 152 1 B M 0 0 25 0, 0.0 2,-0.3 0, 0.0 -38,-0.1 0.000 360.0 360.0 360.0-158.4 27.5 47.5 -12.9 153 2 B T + 0 0 9 1,-0.1 3,-0.1 154,-0.0 -87,-0.0 -0.763 360.0 171.9-113.2 154.8 29.0 44.8 -10.8 154 3 B N + 0 0 112 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.506 68.4 29.6-127.2 -20.2 32.5 43.9 -9.6 155 4 B N S > S- 0 0 34 1,-0.1 4,-1.8 -101,-0.0 -1,-0.3 -0.965 73.7-109.8-147.0 164.8 31.9 41.1 -7.2 156 5 B D H > S+ 0 0 50 -2,-0.3 4,-2.8 -103,-0.2 5,-0.2 0.871 114.6 53.4 -55.8 -42.5 29.8 38.2 -6.1 157 6 B T H > S+ 0 0 19 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.895 105.3 50.7 -65.3 -42.4 28.5 40.1 -3.0 158 7 B T H > S+ 0 0 8 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.924 115.6 44.4 -61.4 -42.6 27.3 43.2 -4.8 159 8 B L H < S+ 0 0 1 -4,-1.8 4,-0.4 2,-0.2 -2,-0.2 0.950 112.6 49.6 -67.0 -49.3 25.3 40.9 -7.2 160 9 B Q H >X S+ 0 0 1 -4,-2.8 3,-1.0 1,-0.2 4,-0.7 0.873 112.7 48.9 -60.3 -36.4 23.9 38.6 -4.6 161 10 B L H >X S+ 0 0 0 -4,-2.3 4,-3.3 1,-0.3 3,-1.4 0.929 98.9 65.3 -69.5 -42.2 22.8 41.6 -2.5 162 11 B S H 3< S+ 0 0 12 -4,-2.1 -40,-0.5 1,-0.3 -1,-0.3 0.606 103.7 51.5 -57.7 -7.4 21.1 43.2 -5.5 163 12 B S H <4 S+ 0 0 6 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.715 124.0 20.4-101.0 -26.0 18.8 40.2 -5.4 164 13 B V H << S+ 0 0 1 -3,-1.4 72,-2.4 -4,-0.7 2,-0.4 0.652 110.6 71.6-116.7 -22.6 17.7 40.3 -1.7 165 14 B L < + 0 0 0 -4,-3.3 2,-0.3 70,-0.2 72,-0.1 -0.830 51.5 174.5-107.6 137.3 18.4 43.8 -0.5 166 15 B N > - 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0 0 76 -3,-1.3 4,-2.1 1,-0.2 3,-0.3 -0.759 68.9-146.6 -85.7 112.5 36.2 44.1 7.2 285 134 B K H > S+ 0 0 166 -2,-0.9 4,-2.4 1,-0.2 5,-0.2 0.777 94.0 52.5 -47.8 -38.8 37.1 46.8 9.6 286 135 B T H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.968 109.3 49.3 -64.7 -49.3 37.2 49.7 7.1 287 136 B I H > S+ 0 0 14 -3,-0.3 4,-3.1 1,-0.2 -2,-0.2 0.889 110.6 51.7 -56.1 -45.4 33.7 48.9 5.8 288 137 B C H X S+ 0 0 10 -4,-2.1 4,-3.4 2,-0.2 5,-0.3 0.959 106.6 51.5 -60.3 -49.4 32.4 48.8 9.4 289 138 B R H X S+ 0 0 176 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.924 113.9 46.0 -54.5 -41.6 33.8 52.1 10.3 290 139 B R H >X S+ 0 0 91 -4,-2.2 4,-0.7 2,-0.2 3,-0.6 0.950 112.4 49.1 -66.3 -47.8 32.2 53.6 7.2 291 140 B L H >< S+ 0 0 0 -4,-3.1 3,-1.0 1,-0.3 -1,-0.2 0.903 112.2 48.8 -59.1 -40.9 28.9 51.9 7.9 292 141 B R H 3< S+ 0 0 84 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.755 111.3 50.1 -71.4 -22.8 28.9 53.1 11.4 293 142 B A H << S+ 0 0 70 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.483 83.1 129.8 -89.7 -6.7 29.7 56.6 10.2 294 143 B A << - 0 0 5 -3,-1.0 -121,-0.2 -4,-0.7 3,-0.1 -0.211 38.7-171.1 -52.4 136.1 26.8 56.3 7.7 295 144 B Q + 0 0 136 1,-0.2 2,-0.3 -123,-0.1 -1,-0.1 0.431 62.0 26.9-110.9 -4.3 24.6 59.4 8.0 296 145 B S S > S- 0 0 47 1,-0.1 4,-3.1 -125,-0.0 5,-0.3 -0.995 75.4-111.2-156.9 157.8 21.7 58.3 5.8 297 146 B D H > S+ 0 0 62 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.873 120.2 48.0 -57.4 -40.3 19.7 55.3 4.4 298 147 B E H > S+ 0 0 77 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.910 112.0 48.5 -68.2 -43.1 21.1 56.0 0.9 299 148 B E H > S+ 0 0 66 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.959 114.7 46.0 -61.1 -46.9 24.6 56.4 2.2 300 149 B L H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 5,-0.3 0.899 111.5 51.6 -62.2 -44.4 24.3 53.2 4.2 301 150 B Y H X S+ 0 0 11 -4,-2.6 4,-2.6 -5,-0.3 5,-0.3 0.978 110.8 48.9 -56.8 -53.1 22.7 51.3 1.3 302 151 B Q H <>S+ 0 0 52 -4,-2.7 5,-2.0 1,-0.2 4,-0.4 0.787 111.0 49.2 -56.9 -37.0 25.5 52.4 -1.1 303 152 B I H <5S+ 0 0 1 -4,-1.9 3,-0.4 3,-0.2 -1,-0.2 0.933 113.2 44.9 -72.1 -46.5 28.3 51.4 1.3 304 153 B I H <5S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.1 0.908 117.1 44.4 -66.2 -40.3 26.9 47.9 2.0 305 154 B T T <5S- 0 0 3 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.541 109.4-127.7 -78.2 -9.5 26.2 47.2 -1.7 306 155 B D T 5 + 0 0 69 -3,-0.4 2,-0.7 -4,-0.4 -3,-0.2 0.767 61.7 141.1 69.4 31.1 29.6 48.7 -2.5 307 156 B T < 0 0 19 -5,-2.0 -1,-0.1 -6,-0.2 -4,-0.1 -0.651 360.0 360.0-112.1 81.7 28.0 51.1 -5.1 308 157 B E 0 0 116 -2,-0.7 -1,-0.2 -5,-0.1 -5,-0.1 0.371 360.0 360.0-158.6 360.0 29.6 54.5 -5.0