==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 15-FEB-06 2G29 . COMPND 2 MOLECULE: NITRATE TRANSPORT PROTEIN NRTA; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR N.M.KOROPATKIN,H.B.PAKRASI,T.J.SMITH . 385 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14819.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 9.6 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 . 1 0.3 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 . 18 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.3 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 1 0 4 0 4 1 2 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 PARALLEL BRIDGES PER LADDER . 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 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 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 57 A N 0 0 187 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-155.8 -44.5 27.4 37.2 2 58 A A - 0 0 69 1,-0.1 226,-0.2 2,-0.1 225,-0.2 -0.369 360.0 -97.8 -71.7 141.4 -42.3 28.5 34.3 3 59 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.291 21.5-135.4 -58.4 144.9 -38.8 29.8 35.0 4 60 A E S S+ 0 0 73 1,-0.1 2,-0.3 -3,-0.1 -2,-0.1 0.769 93.1 23.9 -70.0 -28.4 -38.4 33.6 35.2 5 61 A V - 0 0 51 220,-0.1 -1,-0.1 2,-0.0 3,-0.0 -0.959 65.4-148.2-136.8 152.9 -35.3 33.3 33.1 6 62 A T S S+ 0 0 65 -2,-0.3 31,-1.9 29,-0.1 2,-0.3 0.326 78.6 57.1-104.1 4.2 -34.1 30.6 30.6 7 63 A T + 0 0 49 30,-0.1 2,-0.3 29,-0.1 31,-0.2 -0.906 49.4 170.7-133.7 161.0 -30.4 31.0 31.3 8 64 A A - 0 0 0 29,-0.3 31,-2.8 -2,-0.3 2,-0.6 -0.928 31.3-127.0-160.9 150.8 -28.0 30.8 34.2 9 65 A K E -a 39 0A 43 -2,-0.3 54,-2.3 29,-0.2 55,-1.5 -0.949 30.7-175.6-109.7 111.4 -24.2 30.9 34.2 10 66 A L E -ab 40 64A 0 29,-3.1 31,-2.6 -2,-0.6 55,-0.3 -0.927 10.9-149.1-113.0 120.3 -22.9 27.9 36.2 11 67 A G E +ab 41 65A 0 53,-2.9 55,-2.5 -2,-0.5 2,-0.3 -0.477 16.2 178.8 -85.4 155.2 -19.2 27.4 36.8 12 68 A F E -a 42 0A 3 29,-1.6 31,-3.0 53,-0.2 2,-0.4 -0.978 23.6-135.0-146.4 156.9 -17.4 24.1 37.2 13 69 A I - 0 0 2 -2,-0.3 2,-1.8 29,-0.2 5,-0.2 -0.865 46.1 -94.0-107.6 145.4 -13.8 23.0 37.8 14 70 A A S S+ 0 0 5 29,-0.4 2,-0.3 -2,-0.4 3,-0.0 -0.439 81.6 122.7 -68.2 87.5 -12.5 20.1 35.6 15 71 A L S > S- 0 0 0 -2,-1.8 3,-2.4 171,-0.1 4,-0.2 -0.984 72.8-117.0-146.9 144.2 -13.3 17.2 38.1 16 72 A T G > S+ 0 0 1 169,-1.7 3,-2.3 -2,-0.3 -1,-0.1 0.820 111.4 66.2 -55.6 -33.4 -15.4 14.1 37.7 17 73 A D G 3 S+ 0 0 0 168,-0.5 -1,-0.3 1,-0.3 4,-0.2 0.497 88.2 67.1 -73.4 3.8 -17.8 15.4 40.5 18 74 A A G X> S+ 0 0 0 -3,-2.4 4,-1.5 1,-0.2 3,-1.2 0.483 72.8 104.5 -89.9 -6.1 -18.8 18.2 38.2 19 75 A A H <> + 0 0 0 -3,-2.3 4,-3.4 1,-0.3 5,-0.4 0.837 69.2 58.0 -46.2 -45.8 -20.5 15.5 36.0 20 76 A P H 3> S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.892 108.1 46.6 -56.0 -39.1 -24.0 16.3 37.1 21 77 A L H <> S+ 0 0 0 -3,-1.2 4,-0.6 2,-0.2 -2,-0.2 0.883 117.2 43.2 -70.5 -35.1 -23.8 19.9 35.9 22 78 A I H >X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 3,-0.9 0.928 114.2 49.1 -74.9 -47.2 -22.2 18.9 32.6 23 79 A I H 3X S+ 0 0 0 -4,-3.4 4,-3.0 1,-0.3 6,-0.6 0.845 102.0 63.8 -62.8 -34.6 -24.6 15.9 31.9 24 80 A A H 3<>S+ 0 0 0 -4,-1.7 6,-2.2 -5,-0.4 5,-0.7 0.863 112.7 36.2 -59.2 -31.0 -27.5 18.2 32.7 25 81 A K H X<5S+ 0 0 75 -3,-0.9 3,-1.7 -4,-0.6 -2,-0.2 0.942 119.9 46.2 -82.8 -56.2 -26.5 20.2 29.6 26 82 A E H 3<5S+ 0 0 74 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.798 118.4 40.8 -57.6 -34.3 -25.3 17.3 27.4 27 83 A K T 3<5S- 0 0 86 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.1 0.233 114.6-113.0-101.4 13.0 -28.3 15.0 28.0 28 84 A G T <>5S+ 0 0 32 -3,-1.7 4,-2.2 -5,-0.1 -3,-0.2 0.633 71.6 136.2 70.1 20.0 -30.8 17.9 27.8 29 85 A F H >S+ 0 0 3 -6,-2.2 5,-2.2 1,-0.2 3,-0.4 0.934 112.0 47.9 -62.2 -41.4 -31.8 21.8 31.7 31 87 A A H >45S+ 0 0 50 -7,-0.4 3,-1.8 1,-0.2 -1,-0.2 0.883 102.7 62.0 -66.1 -37.6 -33.9 22.1 28.6 32 88 A K H 3<5S+ 0 0 125 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.844 106.4 48.1 -56.0 -34.0 -36.3 19.5 29.9 33 89 A Y T 3<5S- 0 0 41 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 -0.047 128.1 -93.0 -99.6 32.6 -37.0 22.0 32.7 34 90 A G T < 5S+ 0 0 32 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.616 100.7 99.7 74.1 16.9 -37.5 25.1 30.6 35 91 A M > < + 0 0 1 -5,-2.2 3,-0.9 -6,-0.2 -3,-0.1 -0.619 29.9 153.1-132.7 70.2 -33.9 26.5 30.7 36 92 A P T 3 + 0 0 67 0, 0.0 -5,-0.2 0, 0.0 -29,-0.1 0.496 67.8 64.9 -79.6 2.2 -32.3 25.4 27.4 37 93 A D T 3 + 0 0 86 -31,-1.9 -29,-0.3 -7,-0.1 -30,-0.1 0.195 66.6 136.3-108.7 15.9 -29.9 28.4 27.5 38 94 A V < - 0 0 1 -3,-0.9 2,-0.5 -31,-0.2 -29,-0.2 -0.386 44.4-145.1 -63.5 135.4 -27.9 27.5 30.6 39 95 A E E -a 9 0A 89 -31,-2.8 -29,-3.1 -2,-0.1 2,-0.7 -0.917 6.1-159.3-105.9 130.8 -24.1 27.9 30.2 40 96 A V E -a 10 0A 17 -2,-0.5 2,-0.5 -31,-0.2 -29,-0.2 -0.936 22.6-168.1-111.0 104.1 -21.8 25.4 32.0 41 97 A L E -a 11 0A 53 -31,-2.6 -29,-1.6 -2,-0.7 2,-0.1 -0.868 19.2-128.8-111.4 119.1 -18.5 27.3 32.2 42 98 A K E -a 12 0A 107 -2,-0.5 2,-0.3 -31,-0.2 -29,-0.2 -0.375 22.1-153.7 -65.1 131.7 -15.1 26.0 33.1 43 99 A Q - 0 0 14 -31,-3.0 -29,-0.4 -2,-0.1 3,-0.1 -0.774 13.8-137.5-103.1 148.9 -13.3 27.9 35.9 44 100 A A S S- 0 0 66 -2,-0.3 123,-0.3 1,-0.2 2,-0.3 0.862 77.8 -14.2 -76.4 -35.5 -9.5 28.0 36.1 45 101 A S > - 0 0 22 120,-0.1 4,-2.3 121,-0.1 -1,-0.2 -0.942 68.9 -97.3-156.3 174.4 -9.3 27.6 39.9 46 102 A W H > S+ 0 0 1 88,-0.5 4,-2.4 -2,-0.3 5,-0.2 0.852 123.2 57.7 -70.6 -26.7 -11.3 27.8 43.1 47 103 A G H > S+ 0 0 17 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.918 109.0 42.8 -67.9 -41.1 -9.9 31.3 43.5 48 104 A T H > S+ 0 0 43 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.854 110.7 56.1 -74.5 -30.8 -11.4 32.4 40.1 49 105 A T H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.950 109.5 46.9 -58.4 -48.6 -14.6 30.6 40.8 50 106 A R H X S+ 0 0 52 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.921 111.3 52.4 -59.6 -43.6 -14.9 32.7 44.0 51 107 A D H X S+ 0 0 78 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.925 110.8 46.1 -59.8 -45.3 -14.0 35.8 41.9 52 108 A N H X S+ 0 0 44 -4,-2.7 4,-2.3 1,-0.2 10,-1.9 0.826 111.8 50.9 -69.8 -30.2 -16.7 35.1 39.4 53 109 A L H < S+ 0 0 0 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.879 108.7 51.5 -72.7 -38.1 -19.3 34.4 42.1 54 110 A V H < S+ 0 0 30 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.915 113.1 47.5 -64.4 -37.7 -18.5 37.7 43.9 55 111 A L H < S- 0 0 87 -4,-2.1 4,-0.3 -5,-0.2 -2,-0.2 0.934 98.2-155.5 -66.1 -48.9 -19.0 39.4 40.6 56 112 A G ><> - 0 0 3 -4,-2.3 5,-2.9 6,-0.3 3,-1.1 0.078 36.0 -76.7 85.6 159.6 -22.3 37.8 39.6 57 113 A S G > 5S+ 0 0 44 1,-0.2 3,-1.9 3,-0.2 -1,-0.1 0.840 126.2 64.8 -63.2 -32.2 -23.5 37.4 36.1 58 114 A A G 3 5S+ 0 0 102 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.765 108.5 41.3 -63.7 -24.5 -24.6 41.0 35.8 59 115 A S G < 5S- 0 0 84 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.130 133.7 -85.4-108.7 18.8 -21.0 42.1 36.1 60 116 A G T < 5S+ 0 0 50 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.520 98.2 97.9 95.9 6.3 -19.6 39.3 33.9 61 117 A G S - C 0 213A 0 -2,-0.3 3,-1.3 145,-0.2 145,-0.2 -0.477 46.8-119.9 -63.0 136.3 -16.4 22.9 47.5 69 125 A T T 3> S+ 0 0 0 143,-1.6 4,-0.6 1,-0.3 -1,-0.1 0.847 108.6 53.5 -51.3 -41.0 -18.9 22.8 50.3 70 126 A P H >> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 3,-0.8 0.836 93.5 75.8 -66.9 -24.3 -17.2 25.3 52.6 71 127 A M H <> S+ 0 0 0 -3,-1.3 4,-2.6 1,-0.3 5,-0.3 0.850 86.6 53.9 -59.0 -42.8 -17.0 27.9 49.9 72 128 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 16,-0.3 0.886 114.0 47.1 -59.8 -30.2 -20.6 29.2 49.9 73 129 A Y H < + 0 0 13 -4,-1.9 3,-2.1 -5,-0.3 4,-0.5 0.261 69.2 125.4 117.1 -8.9 -16.8 37.2 53.8 79 135 A T T 3 S+ 0 0 73 -5,-0.3 3,-0.3 1,-0.3 -4,-0.1 0.790 83.8 38.0 -54.7 -33.3 -13.6 35.6 54.9 80 136 A V T 3 S+ 0 0 26 -6,-1.1 -1,-0.3 1,-0.2 -5,-0.1 0.035 106.7 70.3-107.4 27.3 -12.4 34.8 51.4 81 137 A T S < S- 0 0 11 -3,-2.1 -1,-0.2 -7,-0.2 -2,-0.2 0.464 90.1-127.6-121.8 -5.2 -13.7 37.9 49.8 82 138 A D S S- 0 0 155 -4,-0.5 -3,-0.1 -3,-0.3 -2,-0.1 0.980 88.0 -27.7 53.3 62.7 -11.6 40.9 50.9 83 139 A G S S+ 0 0 69 -5,-0.4 -1,-0.2 1,-0.1 -4,-0.1 0.614 118.3 99.1 76.5 17.0 -14.5 43.0 52.0 84 140 A K - 0 0 134 -6,-0.3 -6,-0.1 2,-0.0 -1,-0.1 -0.416 48.1-176.2-131.2 58.7 -17.2 41.7 49.7 85 141 A P - 0 0 76 0, 0.0 -9,-0.2 0, 0.0 -8,-0.1 -0.362 10.1-169.6 -56.8 132.7 -19.4 39.1 51.6 86 142 A T - 0 0 12 -11,-2.2 -8,-0.1 -14,-0.1 -9,-0.1 -0.977 20.2-122.4-131.3 116.1 -21.8 37.8 48.9 87 143 A P + 0 0 60 0, 0.0 132,-2.7 0, 0.0 133,-0.5 -0.320 35.4 175.8 -68.9 139.1 -24.7 35.6 50.1 88 144 A M E -D 218 0A 2 -16,-0.3 2,-0.3 130,-0.3 130,-0.2 -0.893 19.0-145.8-134.5 164.5 -25.1 32.2 48.7 89 145 A Y E -D 217 0A 29 128,-2.7 128,-2.2 -2,-0.3 2,-0.6 -0.936 13.7-136.2-126.8 153.5 -27.2 29.1 49.1 90 146 A I E +De 216 335A 0 244,-2.5 246,-2.8 -2,-0.3 126,-0.2 -0.962 22.3 177.4-107.7 120.3 -26.4 25.4 48.8 91 147 A L E - 0 0 1 124,-2.9 2,-0.3 -2,-0.6 125,-0.1 0.718 64.2 -10.8 -94.1 -25.2 -29.2 23.7 46.8 92 148 A A E -D 215 0A 0 123,-0.8 123,-2.8 210,-0.1 2,-0.6 -0.977 64.8-107.7-163.8 164.3 -27.8 20.2 46.8 93 149 A R E -D 214 0A 2 208,-2.9 121,-0.3 -2,-0.3 3,-0.1 -0.903 27.4-156.3 -97.1 125.7 -24.7 18.1 47.5 94 150 A L - 0 0 0 119,-1.7 2,-0.3 -2,-0.6 120,-0.2 0.879 64.9 -19.7 -71.5 -34.8 -23.3 17.2 44.1 95 151 A N - 0 0 0 118,-1.1 117,-1.6 205,-0.1 2,-0.3 -0.990 49.0-134.5-163.6 162.8 -21.4 14.1 45.4 96 152 A V B -FG 211 294B 5 198,-1.9 198,-1.7 -2,-0.3 108,-0.1 -0.851 70.0 -0.5-116.6 159.2 -20.0 12.2 48.3 97 153 A N S S+ 0 0 0 113,-1.9 195,-0.1 -2,-0.3 196,-0.1 0.193 70.8 106.2 62.3-177.6 -16.5 10.5 48.3 98 154 A G + 0 0 0 193,-0.8 87,-1.6 1,-0.3 2,-0.2 0.696 42.2 117.5 88.2 23.7 -13.9 10.4 45.5 99 155 A Q E -H 184 0C 0 85,-0.2 104,-2.7 88,-0.1 2,-0.4 -0.627 47.2-141.3-111.8 172.3 -11.0 12.7 46.2 100 156 A G E -HI 183 202C 0 83,-2.5 83,-1.8 102,-0.2 2,-0.5 -0.989 12.7-146.0-141.1 149.8 -7.4 11.5 46.7 101 157 A I E -HI 182 201C 0 100,-2.3 99,-2.7 -2,-0.4 100,-1.3 -0.972 30.1-173.8-111.8 122.4 -4.3 12.1 48.7 102 158 A Q E -HI 181 199C 0 79,-2.9 79,-1.9 -2,-0.5 2,-0.3 -0.763 13.6-153.4-115.6 158.9 -1.1 11.5 46.7 103 159 A L E -HI 180 198C 0 95,-2.7 95,-2.3 -2,-0.3 77,-0.2 -0.950 26.7-107.5-128.6 148.3 2.6 11.5 47.5 104 160 A G > - 0 0 8 75,-2.4 3,-2.1 -2,-0.3 93,-0.2 -0.266 40.1-100.3 -68.3 164.1 5.6 12.2 45.3 105 161 A N G > S+ 0 0 64 91,-0.5 3,-1.9 1,-0.3 4,-0.3 0.709 115.0 77.6 -59.7 -20.4 7.8 9.4 44.2 106 162 A N G 3 S+ 0 0 125 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.636 94.3 51.9 -65.5 -8.7 10.3 10.2 46.8 107 163 A Y G X> S+ 0 0 8 -3,-2.1 3,-1.0 1,-0.1 4,-0.6 0.308 75.2 107.1-109.1 8.9 8.0 8.5 49.3 108 164 A K G X4 S+ 0 0 72 -3,-1.9 3,-1.4 1,-0.2 -1,-0.1 0.872 72.9 57.6 -57.0 -40.2 7.6 5.3 47.5 109 165 A D G 34 S+ 0 0 156 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.794 101.2 58.5 -63.2 -26.0 9.7 3.2 49.8 110 166 A L G <4 S- 0 0 74 -3,-1.0 -1,-0.3 -4,-0.1 -2,-0.2 0.625 89.0-151.3 -77.7 -16.5 7.4 4.2 52.8 111 167 A K << - 0 0 159 -3,-1.4 2,-0.2 -4,-0.6 -3,-0.1 0.893 22.4-161.6 44.5 53.8 4.3 2.7 51.1 112 168 A V + 0 0 5 -5,-0.5 -1,-0.2 1,-0.1 4,-0.1 -0.431 22.3 159.1 -74.0 136.4 2.1 5.2 53.0 113 169 A G - 0 0 29 2,-0.5 88,-0.1 -2,-0.2 87,-0.1 -0.027 67.6 -33.1-121.9-131.4 -1.6 4.6 53.3 114 170 A T S S+ 0 0 48 1,-0.1 2,-1.0 86,-0.1 87,-0.1 0.742 120.4 78.7 -70.8 -21.1 -4.2 6.0 55.8 115 171 A D + 0 0 99 1,-0.2 -2,-0.5 85,-0.1 -1,-0.1 -0.765 58.3 179.9 -91.4 103.6 -1.5 6.1 58.5 116 172 A A > + 0 0 0 -2,-1.0 3,-2.3 31,-0.5 4,-0.4 0.557 51.5 103.5 -78.3 -8.5 0.5 9.3 57.8 117 173 A A T > + 0 0 41 1,-0.3 3,-2.0 2,-0.2 4,-0.5 0.795 69.4 63.7 -48.2 -39.6 2.9 8.9 60.7 118 174 A P T 3> S+ 0 0 51 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.755 92.5 67.4 -58.9 -21.4 5.9 7.6 58.7 119 175 A L H <> S+ 0 0 0 -3,-2.3 4,-3.1 1,-0.2 5,-0.3 0.714 81.6 77.4 -71.5 -18.5 5.9 10.9 56.9 120 176 A K H <> S+ 0 0 88 -3,-2.0 4,-1.2 -4,-0.4 -1,-0.2 0.962 100.9 35.9 -57.0 -55.5 7.0 12.8 60.0 121 177 A E H > S+ 0 0 161 -4,-0.5 4,-0.5 -3,-0.2 -1,-0.2 0.835 118.6 53.2 -66.8 -32.7 10.7 11.7 59.9 122 178 A A H >< S+ 0 0 18 -4,-1.0 3,-1.2 1,-0.2 -2,-0.2 0.910 105.9 51.0 -71.0 -41.3 10.7 11.9 56.0 123 179 A F H >< S+ 0 0 3 -4,-3.1 3,-2.1 1,-0.3 -1,-0.2 0.815 99.0 68.2 -64.0 -29.9 9.3 15.5 55.9 124 180 A A H 3< S+ 0 0 83 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.768 92.1 59.7 -61.3 -24.2 12.1 16.4 58.4 125 181 A K T << S+ 0 0 189 -3,-1.2 2,-0.4 -4,-0.5 -1,-0.3 0.499 96.2 79.9 -81.5 -2.2 14.6 15.8 55.6 126 182 A V S < S- 0 0 40 -3,-2.1 2,-0.5 -4,-0.1 53,-0.0 -0.865 83.5-124.7-108.9 137.2 12.9 18.5 53.5 127 183 A T S S- 0 0 129 -2,-0.4 -2,-0.1 1,-0.3 -3,-0.1 -0.724 90.9 -19.8 -79.0 123.5 13.4 22.2 53.9 128 184 A D S S- 0 0 114 -2,-0.5 -1,-0.3 1,-0.1 31,-0.1 0.911 86.2-148.3 40.4 66.5 10.0 23.8 54.4 129 185 A P - 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