==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 18-APR-12 4EQB . COMPND 2 MOLECULE: SPERMIDINE/PUTRESCINE ABC SUPERFAMILY ATP BINDING . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE TCH8431; . AUTHOR G.MINASOV,Z.WAWRZAK,P.J.STOGIOS,M.KUDRITSKA,V.YIM,A.SAVCHENK . 646 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28134.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 455 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 9.0 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 . 0 0.0 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 . 2 0.3 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 . 26 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 204 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 5 2 0 0 3 3 6 4 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 2 2 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 PARALLEL BRIDGES PER LADDER . 10 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 4 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 34 A S 0 0 107 0, 0.0 2,-0.3 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 59.6 2.2 -12.4 17.3 2 35 A Q + 0 0 115 24,-0.2 26,-2.5 241,-0.0 2,-0.3 -0.519 360.0 163.3 -74.5 132.3 0.4 -10.9 14.3 3 36 A K E -a 28 0A 39 24,-0.3 2,-0.3 -2,-0.3 240,-0.2 -0.942 30.4-150.2-147.9 169.8 2.6 -8.5 12.3 4 37 A L E -a 29 0A 0 24,-1.9 26,-3.0 -2,-0.3 2,-0.6 -0.995 8.6-151.1-145.9 130.0 3.1 -6.7 9.1 5 38 A V E -a 30 0A 6 -2,-0.3 47,-2.2 24,-0.2 48,-1.8 -0.941 20.9-170.2-103.4 116.7 6.3 -5.6 7.3 6 39 A I E -ab 31 53A 1 24,-2.1 26,-2.7 -2,-0.6 2,-0.5 -0.917 10.6-163.7-109.2 133.7 5.7 -2.4 5.2 7 40 A Y E +ab 32 54A 5 46,-2.5 48,-1.4 -2,-0.4 2,-0.3 -0.965 29.5 151.5-119.0 111.9 8.3 -1.0 2.8 8 41 A N E -a 33 0A 2 24,-2.5 26,-2.0 -2,-0.5 3,-0.1 -0.896 49.4 -85.1-137.5 162.6 7.5 2.6 1.8 9 42 A W E > -a 34 0A 47 -2,-0.3 3,-0.7 46,-0.3 26,-0.2 -0.329 60.6 -92.4 -57.1 148.1 9.0 5.9 0.7 10 43 A G T 3 S+ 0 0 14 24,-1.4 -1,-0.1 1,-0.2 23,-0.0 -0.362 106.9 11.5 -61.5 145.7 10.3 8.0 3.6 11 44 A D T 3 S+ 0 0 58 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.883 93.9 121.9 55.8 45.5 7.9 10.6 5.0 12 45 A Y < + 0 0 9 -3,-0.7 2,-0.3 1,-0.1 -3,-0.1 0.022 58.3 45.0-134.6 27.4 5.0 9.1 3.1 13 46 A I S S- 0 0 1 -5,-0.1 -1,-0.1 250,-0.1 3,-0.1 -0.941 84.7-105.2-156.9 150.6 2.4 8.1 5.7 14 47 A D >> - 0 0 20 -2,-0.3 3,-1.8 1,-0.2 4,-0.7 -0.765 32.0-145.3 -71.7 116.6 0.8 9.8 8.8 15 48 A P H >> S+ 0 0 44 0, 0.0 4,-1.5 0, 0.0 3,-0.7 0.788 95.6 67.0 -57.9 -26.5 2.6 7.8 11.5 16 49 A E H 3> S+ 0 0 108 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.800 91.9 62.5 -64.3 -28.5 -0.5 8.1 13.7 17 50 A L H <> S+ 0 0 0 -3,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.843 99.9 52.9 -64.5 -35.3 -2.2 5.8 11.1 18 51 A L H S- 0 0 34 1,-0.1 4,-1.9 0, 0.0 -1,-0.2 -0.990 73.8-122.2-147.5 156.4 14.5 5.9 -4.6 37 70 A N H > S+ 0 0 40 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.900 113.3 52.0 -56.7 -47.0 13.1 3.5 -7.1 38 71 A E H > S+ 0 0 127 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.904 107.4 50.3 -63.8 -41.4 16.4 1.8 -7.6 39 72 A A H > S+ 0 0 36 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.928 112.7 47.5 -63.8 -44.2 17.0 1.2 -3.8 40 73 A M H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.939 110.7 51.1 -58.9 -51.1 13.6 -0.4 -3.4 41 74 A Y H X S+ 0 0 37 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.906 107.9 52.6 -55.2 -46.2 13.9 -2.6 -6.5 42 75 A T H X S+ 0 0 90 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.917 111.5 45.1 -59.7 -44.8 17.3 -4.0 -5.4 43 76 A K H X S+ 0 0 114 -4,-1.8 4,-0.6 2,-0.2 6,-0.5 0.853 116.8 44.9 -70.9 -32.2 16.0 -5.0 -1.9 44 77 A I H >< S+ 0 0 4 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.941 114.6 47.8 -73.7 -48.2 12.8 -6.6 -3.3 45 78 A K H 3< S+ 0 0 103 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.788 99.3 68.1 -60.6 -33.0 14.6 -8.4 -6.2 46 79 A Q H 3< S- 0 0 129 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.825 89.0-157.4 -60.9 -31.3 17.3 -9.7 -3.8 47 80 A G << + 0 0 39 -3,-1.0 -1,-0.1 -4,-0.6 -3,-0.1 0.247 63.4 99.7 77.2 -9.1 14.5 -11.8 -2.2 48 81 A G + 0 0 60 -5,-0.2 2,-0.5 2,-0.1 -1,-0.1 0.620 67.4 73.1 -85.1 -15.1 16.0 -12.4 1.2 49 82 A T S S- 0 0 57 -6,-0.5 2,-0.3 -5,-0.1 -2,-0.2 -0.892 80.9-129.1-105.8 127.6 14.1 -9.7 3.0 50 83 A T + 0 0 51 -2,-0.5 2,-0.4 186,-0.0 188,-0.1 -0.582 30.5 173.0 -76.8 125.5 10.4 -10.2 3.8 51 84 A Y - 0 0 7 -2,-0.3 -45,-0.2 1,-0.1 3,-0.1 -0.994 15.3-178.2-129.7 133.1 8.1 -7.5 2.8 52 85 A D S S+ 0 0 0 -47,-2.2 2,-0.4 -2,-0.4 -46,-0.2 0.782 77.5 20.5 -94.5 -37.5 4.3 -7.8 3.1 53 86 A I E -b 6 0A 0 -48,-1.8 -46,-2.5 181,-0.2 -1,-0.3 -0.995 66.6-179.8-133.0 134.3 3.3 -4.4 1.6 54 87 A A E -bC 7 233A 0 179,-2.0 179,-2.2 -2,-0.4 -46,-0.2 -0.942 21.5-144.1-129.6 157.3 5.4 -2.1 -0.6 55 88 A I + 0 0 1 -48,-1.4 -46,-0.3 -2,-0.3 177,-0.2 -0.618 32.9 172.2-119.9 71.1 4.5 1.2 -2.1 56 89 A P - 0 0 0 0, 0.0 175,-2.3 0, 0.0 2,-0.1 -0.400 32.5-110.7 -82.5 158.8 6.1 1.4 -5.6 57 90 A S B > -D 230 0B 9 173,-0.2 4,-1.8 -2,-0.1 173,-0.2 -0.324 37.3-102.5 -71.5 163.0 5.8 4.0 -8.4 58 91 A E H > S+ 0 0 21 171,-1.7 4,-2.1 1,-0.2 5,-0.2 0.876 122.4 57.9 -57.6 -37.3 4.0 3.1 -11.6 59 92 A Y H > S+ 0 0 142 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.930 109.1 44.8 -59.1 -45.8 7.4 2.7 -13.3 60 93 A M H > S+ 0 0 9 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.782 107.2 57.6 -73.3 -26.2 8.4 0.1 -10.8 61 94 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.925 106.1 51.1 -68.2 -41.8 5.1 -1.8 -11.0 62 95 A N H X S+ 0 0 16 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.973 115.3 43.3 -54.0 -53.4 5.7 -2.2 -14.7 63 96 A K H X S+ 0 0 68 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.903 116.4 44.1 -62.1 -45.1 9.2 -3.6 -14.0 64 97 A M H <>S+ 0 0 0 -4,-2.9 5,-2.3 1,-0.2 3,-0.4 0.830 107.8 55.3 -75.9 -31.9 8.3 -5.9 -11.1 65 98 A K H ><5S+ 0 0 34 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.888 106.4 53.7 -69.5 -32.2 5.2 -7.5 -12.5 66 99 A D H 3<5S+ 0 0 106 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.705 108.6 49.0 -69.9 -23.1 7.2 -8.5 -15.5 67 100 A E T 3<5S- 0 0 55 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.198 115.5-115.6 -99.3 10.0 9.8 -10.2 -13.2 68 101 A D T < 5S+ 0 0 118 -3,-1.2 -3,-0.2 1,-0.1 -2,-0.1 0.885 74.4 133.4 58.3 41.7 7.0 -12.1 -11.3 69 102 A L < + 0 0 28 -5,-2.3 167,-2.8 -6,-0.1 2,-0.3 0.495 51.4 71.3 -96.9 -7.5 7.9 -10.2 -8.1 70 103 A L B S-G 235 0C 1 -6,-0.4 30,-0.1 165,-0.3 29,-0.0 -0.888 75.3-126.2-118.1 147.7 4.3 -9.3 -7.1 71 104 A V - 0 0 20 163,-3.2 163,-0.4 -2,-0.3 2,-0.3 -0.714 32.2-114.6 -88.4 128.7 1.4 -11.3 -5.8 72 105 A P - 0 0 61 0, 0.0 27,-0.2 0, 0.0 26,-0.1 -0.527 42.6-109.6 -63.0 127.4 -1.9 -11.0 -7.8 73 106 A L - 0 0 15 25,-2.3 2,-1.0 -2,-0.3 27,-0.1 -0.319 17.3-135.9 -67.3 134.4 -4.4 -9.3 -5.4 74 107 A D > - 0 0 60 1,-0.2 3,-2.1 -2,-0.1 4,-0.3 -0.776 17.1-170.3 -88.8 96.5 -7.3 -11.4 -4.0 75 108 A Y G > S+ 0 0 77 -2,-1.0 3,-0.8 1,-0.3 -1,-0.2 0.672 79.8 72.2 -67.9 -15.0 -10.2 -9.0 -4.3 76 109 A S G 3 S+ 0 0 108 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.692 102.3 44.9 -69.7 -14.1 -12.4 -11.4 -2.3 77 110 A K G < S+ 0 0 80 -3,-2.1 2,-0.4 2,-0.0 -1,-0.2 0.415 97.9 93.7-103.7 -2.7 -10.3 -10.2 0.7 78 111 A I < - 0 0 19 -3,-0.8 2,-0.4 -4,-0.3 3,-0.2 -0.810 54.7-166.6-100.7 131.7 -10.4 -6.5 -0.2 79 112 A E + 0 0 136 -2,-0.4 173,-0.2 166,-0.2 -3,-0.0 -0.969 66.4 19.8-115.5 131.7 -13.0 -4.2 1.2 80 113 A G > + 0 0 11 -2,-0.4 3,-2.3 173,-0.0 4,-0.3 0.606 63.1 138.7 92.0 15.8 -13.7 -0.7 -0.2 81 114 A I G > + 0 0 48 1,-0.3 3,-1.8 2,-0.2 -2,-0.1 0.809 68.6 70.9 -62.1 -24.2 -12.2 -0.8 -3.7 82 115 A E G 3 S+ 0 0 149 1,-0.3 -1,-0.3 188,-0.0 189,-0.1 0.669 84.7 70.4 -62.7 -16.6 -15.3 1.1 -4.8 83 116 A N G < S+ 0 0 26 -3,-2.3 188,-2.3 188,-0.1 2,-0.5 0.647 79.5 87.9 -77.6 -15.9 -13.8 4.1 -2.9 84 117 A I B < S-H 270 0D 9 -3,-1.8 186,-0.2 -4,-0.3 5,-0.1 -0.741 89.2-112.0 -85.7 129.7 -11.1 4.5 -5.5 85 118 A G > - 0 0 1 184,-2.5 3,-2.1 -2,-0.5 4,-0.3 -0.243 17.1-125.3 -61.4 144.0 -12.1 6.7 -8.4 86 119 A P G > S+ 0 0 104 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.784 108.2 66.3 -61.1 -27.4 -12.5 5.1 -11.8 87 120 A E G 3 S+ 0 0 75 1,-0.2 -2,-0.1 182,-0.1 -3,-0.0 0.586 101.1 51.0 -68.1 -10.7 -10.1 7.5 -13.3 88 121 A F G < S+ 0 0 4 -3,-2.1 -1,-0.2 181,-0.2 3,-0.2 0.399 100.6 77.6-104.7 -0.7 -7.3 6.0 -11.2 89 122 A L S < S+ 0 0 38 -3,-1.3 12,-0.1 -4,-0.3 -4,-0.0 -0.667 81.4 26.8-111.3 163.7 -8.0 2.3 -12.1 90 123 A N S S+ 0 0 110 4,-0.3 -1,-0.2 -2,-0.2 2,-0.2 0.921 78.7 166.1 50.2 52.9 -7.2 0.1 -15.0 91 124 A Q > - 0 0 45 3,-0.5 3,-1.6 -3,-0.2 6,-0.2 -0.487 51.3-100.3 -93.4 167.1 -4.2 2.0 -16.1 92 125 A S T 3 S+ 0 0 75 1,-0.3 210,-0.1 -2,-0.2 -1,-0.1 0.761 118.1 56.8 -62.8 -28.5 -1.5 0.9 -18.6 93 126 A F T 3 S+ 0 0 2 1,-0.2 -1,-0.3 208,-0.0 -3,-0.0 0.585 126.6 14.8 -78.1 -14.8 1.0 -0.1 -15.9 94 127 A D S X S- 0 0 3 -3,-1.6 3,-2.3 4,-0.0 -3,-0.5 -0.398 80.5-156.1-158.8 71.1 -1.4 -2.6 -14.2 95 128 A P G > S+ 0 0 75 0, 0.0 3,-1.2 0, 0.0 4,-0.1 -0.256 82.7 7.5 -54.8 137.6 -4.4 -3.4 -16.4 96 129 A G G 3 S- 0 0 54 1,-0.3 -7,-0.0 2,-0.1 0, 0.0 0.519 114.2 -92.8 66.4 9.2 -7.4 -4.6 -14.3 97 130 A N G < S+ 0 0 13 -3,-2.3 -1,-0.3 -6,-0.2 -24,-0.2 0.878 72.9 159.6 48.8 44.9 -5.5 -3.7 -11.1 98 131 A K S < S+ 0 0 119 -3,-1.2 -25,-2.3 1,-0.2 -2,-0.1 0.862 75.3 14.3 -62.9 -35.7 -4.3 -7.2 -11.0 99 132 A F S S+ 0 0 25 -27,-0.2 135,-0.4 -4,-0.1 2,-0.3 0.551 120.2 42.6-118.0 -10.4 -1.4 -6.3 -8.7 100 133 A S - 0 0 0 -6,-0.1 133,-0.2 133,-0.1 -1,-0.1 -0.964 46.6-154.7-149.0 159.2 -1.9 -2.9 -7.2 101 134 A I E -E 232 0B 0 131,-1.8 131,-2.8 -2,-0.3 -12,-0.1 -0.997 41.4-100.1-134.5 130.3 -4.2 -0.3 -5.7 102 135 A P E +E 231 0B 4 0, 0.0 129,-0.3 0, 0.0 3,-0.1 -0.256 36.9 172.6 -57.1 139.1 -3.6 3.5 -5.8 103 136 A Y E S- 0 0 13 127,-2.7 2,-0.3 1,-0.6 128,-0.2 0.799 71.6 -14.0-106.2 -65.5 -2.1 5.1 -2.7 104 137 A F E -E 230 0B 2 126,-1.4 126,-2.5 164,-0.1 -1,-0.6 -0.939 67.7-165.8-134.1 161.0 -1.5 8.7 -3.9 105 138 A W E +EF 229 267B 8 162,-1.7 162,-0.7 -2,-0.3 2,-0.3 -0.920 13.3 151.0-139.1 167.7 -1.5 10.1 -7.5 106 139 A G E -E 228 0B 1 122,-2.2 122,-2.4 -2,-0.3 2,-0.2 -0.957 26.6-107.4-172.2-163.1 -0.5 13.2 -9.3 107 140 A T E -E 227 0B 3 -2,-0.3 96,-3.0 120,-0.2 2,-0.4 -0.759 24.2-109.9-134.3 171.3 0.7 15.0 -12.3 108 141 A L E +I 202 0E 2 118,-1.4 2,-0.3 94,-0.2 94,-0.2 -0.854 59.0 129.4 -96.7 143.4 3.7 16.8 -14.1 109 142 A G E -I 201 0E 0 92,-2.1 92,-1.5 -2,-0.4 2,-0.5 -0.878 53.4 -61.0-167.7-157.2 3.2 20.5 -14.3 110 143 A I E -IJ 200 219E 0 109,-2.8 109,-2.2 -2,-0.3 2,-0.5 -0.949 28.5-164.3-120.7 118.7 4.5 24.0 -13.7 111 144 A V E +IJ 199 218E 0 88,-3.2 88,-3.0 -2,-0.5 2,-0.3 -0.898 24.2 174.0 -96.6 129.9 5.5 25.5 -10.3 112 145 A Y E -IJ 198 217E 28 105,-2.5 105,-2.4 -2,-0.5 2,-0.8 -0.971 37.9-119.5-140.1 154.8 5.8 29.3 -10.5 113 146 A N E >> - J 0 216E 0 84,-2.6 3,-1.7 -2,-0.3 4,-0.8 -0.828 21.5-153.8 -93.4 111.5 6.3 32.3 -8.3 114 147 A E G >4 S+ 0 0 95 101,-2.3 3,-0.5 -2,-0.8 -1,-0.2 0.837 93.9 53.1 -55.4 -33.4 3.2 34.5 -8.6 115 148 A T G 34 S+ 0 0 94 100,-0.4 -1,-0.3 1,-0.2 101,-0.1 0.655 107.5 51.1 -79.7 -13.7 5.2 37.6 -7.7 116 149 A M G <4 S+ 0 0 86 -3,-1.7 2,-0.3 81,-0.2 -1,-0.2 0.475 105.4 58.5-102.7 -7.9 7.9 37.0 -10.4 117 150 A V << - 0 0 19 -4,-0.8 3,-0.1 -3,-0.5 15,-0.0 -0.863 68.6-142.6-117.7 157.8 5.6 36.5 -13.4 118 151 A D S S+ 0 0 129 1,-0.4 -1,-0.2 -2,-0.3 2,-0.2 0.772 88.3 13.4 -78.8-100.9 3.0 38.8 -14.9 119 152 A E S S- 0 0 79 1,-0.1 -1,-0.4 3,-0.0 3,-0.1 -0.540 97.1-104.5 -76.3 139.9 0.2 36.5 -16.1 120 153 A A - 0 0 31 -2,-0.2 -1,-0.1 -3,-0.1 2,-0.1 -0.296 34.3-108.2 -59.6 139.7 0.4 33.0 -14.7 121 154 A P + 0 0 1 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.457 42.4 166.7 -66.2 150.1 1.5 30.2 -17.0 122 155 A E + 0 0 118 1,-0.4 100,-0.7 -2,-0.1 2,-0.3 0.445 57.9 36.4-137.6 -21.4 -1.4 27.9 -18.0 123 156 A H S >> S- 0 0 68 98,-0.2 3,-1.3 1,-0.1 4,-0.5 -0.958 81.3-109.2-137.3 159.4 -0.1 25.8 -20.9 124 157 A W G >4 S+ 0 0 0 -2,-0.3 3,-1.9 1,-0.3 4,-0.3 0.903 117.0 59.7 -56.1 -42.8 3.1 24.2 -22.0 125 158 A D G >4 S+ 0 0 75 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.774 89.2 72.1 -57.3 -26.9 3.5 26.8 -24.8 126 159 A D G X4 S+ 0 0 24 -3,-1.3 3,-1.7 1,-0.3 -1,-0.3 0.803 84.3 68.9 -59.7 -24.6 3.5 29.6 -22.2 127 160 A L G << S+ 0 0 0 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 0.779 92.1 60.6 -65.4 -24.0 7.0 28.5 -21.2 128 161 A W G < S+ 0 0 42 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.454 77.6 128.4 -81.6 -2.8 8.3 29.7 -24.6 129 162 A K X - 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0 0 37 -6,-0.2 -1,-0.3 -5,-0.2 2,-0.3 -0.599 69.5 -80.3-103.8 169.1 22.1 0.5 19.6 591 300 B S B -S 429 0H 4 -162,-0.7 -162,-1.8 -2,-0.2 -1,-0.1 -0.493 42.3-138.3 -75.0 128.8 19.1 1.2 21.7 592 301 B T - 0 0 5 -2,-0.3 -164,-0.1 -164,-0.2 -1,-0.1 -0.637 11.2-157.5 -86.4 141.2 16.9 4.1 20.6 593 302 B P S S+ 0 0 2 0, 0.0 -184,-2.6 0, 0.0 2,-0.8 0.417 70.1 102.0 -89.4 -0.5 15.4 6.6 23.1 594 303 B N B > -U 408 0J 2 -186,-0.2 4,-2.1 -167,-0.2 -186,-0.2 -0.739 58.7-163.5 -86.7 108.5 12.6 7.4 20.6 595 304 B L H > S+ 0 0 61 -188,-2.3 4,-1.6 -2,-0.8 -1,-0.2 0.920 86.0 48.9 -64.1 -46.3 9.5 5.5 21.8 596 305 B P H > S+ 0 0 51 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.894 111.6 51.5 -61.2 -37.9 7.5 5.7 18.5 597 306 B A H >4 S+ 0 0 0 -190,-0.2 3,-1.5 1,-0.2 4,-0.4 0.917 104.2 57.5 -62.0 -42.6 10.5 4.4 16.6 598 307 B K H >< S+ 0 0 59 -4,-2.1 3,-1.6 1,-0.3 -1,-0.2 0.895 100.2 58.5 -55.5 -39.8 11.0 1.5 19.0 599 308 B E H 3< S+ 0 0 96 -4,-1.6 -570,-0.3 1,-0.3 -1,-0.3 0.702 104.8 50.6 -64.0 -20.9 7.4 0.3 18.2 600 309 B L T << S+ 0 0 22 -3,-1.5 -569,-1.6 -4,-0.5 -1,-0.3 0.351 87.5 108.4 -99.9 0.2 8.3 -0.0 14.5 601 310 B L S < S- 0 0 3 -3,-1.6 -569,-0.1 -4,-0.4 -19,-0.0 -0.297 85.9 -79.1 -70.2 160.5 11.5 -2.1 15.0 602 311 B P >> - 0 0 13 0, 0.0 4,-2.5 0, 0.0 3,-0.7 -0.363 43.5-116.9 -57.0 146.6 11.6 -5.8 14.1 603 312 B E H 3> S+ 0 0 48 1,-0.3 4,-2.3 2,-0.2 5,-0.3 0.887 113.7 54.4 -53.1 -47.8 10.0 -8.0 16.8 604 313 B E H 3> S+ 0 0 119 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.859 112.7 44.5 -59.2 -35.3 13.2 -9.8 17.6 605 314 B T H <4 S+ 0 0 56 -3,-0.7 3,-0.3 2,-0.2 6,-0.2 0.955 114.2 44.5 -75.1 -53.5 14.9 -6.5 18.3 606 315 B K H < S+ 0 0 25 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.807 119.5 42.4 -66.7 -26.9 12.3 -4.6 20.3 607 316 B E H < S+ 0 0 109 -4,-2.3 2,-0.8 -5,-0.3 -1,-0.2 0.656 82.9 113.7 -89.4 -18.7 11.6 -7.7 22.5 608 317 B D >X - 0 0 68 -4,-0.8 4,-2.4 -5,-0.3 3,-1.6 -0.395 53.8-160.3 -61.2 102.7 15.2 -8.7 22.9 609 318 B K T 34 S+ 0 0 96 -2,-0.8 -65,-0.3 1,-0.3 -1,-0.2 0.654 83.5 74.7 -61.2 -16.9 15.8 -8.1 26.7 610 319 B A T 34 S+ 0 0 9 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.924 118.6 13.2 -59.5 -42.0 19.5 -8.0 26.1 611 320 B F T <4 S+ 0 0 31 -3,-1.6 -2,-0.2 -6,-0.2 -1,-0.2 0.563 135.7 41.4-116.0 -15.7 19.1 -4.5 24.5 612 321 B Y S < S- 0 0 12 -4,-2.4 -1,-0.2 -7,-0.1 -2,-0.2 -0.630 83.9-168.8-129.3 74.3 15.5 -3.4 25.5 613 322 B P - 0 0 15 0, 0.0 -3,-0.1 0, 0.0 5,-0.1 -0.113 27.3 -87.7 -62.2 159.9 15.4 -4.6 29.1 614 323 B D >> - 0 0 93 -5,-0.1 4,-1.9 1,-0.1 3,-0.6 -0.092 42.5 -96.1 -66.6 168.5 12.1 -4.7 31.1 615 324 B V H 3> S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.885 120.2 47.8 -52.7 -54.8 10.6 -1.9 33.1 616 325 B E H 3> S+ 0 0 106 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.779 110.0 55.5 -63.6 -25.0 11.9 -2.8 36.6 617 326 B T H <4 S+ 0 0 12 -3,-0.6 4,-0.4 2,-0.2 3,-0.4 0.921 106.5 50.5 -71.0 -44.7 15.4 -3.3 35.2 618 327 B M H >< S+ 0 0 32 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.895 107.2 54.1 -61.2 -39.9 15.4 0.2 33.7 619 328 B K H 3< S+ 0 0 155 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.826 105.8 53.3 -62.8 -32.2 14.4 1.7 37.1 620 329 B H T 3< S+ 0 0 77 -4,-1.1 -71,-0.8 -3,-0.4 -1,-0.2 0.483 88.1 103.9 -83.7 -4.5 17.3 0.0 38.8 621 330 B L E < -z 549 0L 13 -3,-1.2 2,-0.3 -4,-0.4 -71,-0.2 -0.482 53.1-165.4 -76.9 149.0 19.8 1.5 36.3 622 331 B E E -z 550 0L 75 -73,-2.0 -71,-1.6 -2,-0.1 2,-0.3 -0.999 16.7-131.9-138.1 140.0 22.0 4.5 37.4 623 332 B V - 0 0 8 -2,-0.3 2,-0.3 -73,-0.2 -71,-0.1 -0.630 39.9 -99.8 -83.0 143.8 24.2 7.0 35.6 624 333 B Y - 0 0 34 -73,-0.4 2,-0.1 -2,-0.3 -142,-0.1 -0.505 41.1-130.4 -64.8 127.2 27.7 7.5 36.9 625 334 B E - 0 0 74 -2,-0.3 2,-0.9 1,-0.1 -1,-0.1 -0.424 23.8-102.5 -74.2 153.6 27.7 10.7 39.0 626 335 B K - 0 0 74 -2,-0.1 2,-0.3 -210,-0.1 -1,-0.1 -0.696 41.4-153.1 -78.7 107.4 30.3 13.4 38.4 627 336 B F - 0 0 4 -2,-0.9 -3,-0.0 1,-0.1 -145,-0.0 -0.625 11.4-124.6 -81.9 143.1 32.7 12.9 41.2 628 337 B D > - 0 0 86 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.013 45.1 -80.3 -67.2-172.3 34.8 15.8 42.3 629 338 B H H > S+ 0 0 172 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.923 128.4 49.0 -60.5 -49.2 38.6 15.5 42.4 630 339 B K H > S+ 0 0 138 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.803 112.9 47.7 -67.8 -27.0 38.9 13.6 45.7 631 340 B W H > S+ 0 0 34 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.873 108.7 51.9 -82.2 -34.7 36.3 11.0 44.8 632 341 B T H X S+ 0 0 72 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.920 115.4 46.0 -60.2 -41.7 37.6 10.3 41.3 633 342 B G H X S+ 0 0 27 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.895 109.5 52.3 -67.8 -42.6 40.9 9.8 43.1 634 343 B K H X S+ 0 0 77 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.941 112.2 45.9 -60.4 -48.3 39.4 7.6 45.9 635 344 B Y H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.901 111.1 52.7 -62.5 -39.8 37.8 5.3 43.3 636 345 B S H X S+ 0 0 50 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.927 110.6 48.9 -58.2 -44.3 41.1 5.2 41.3 637 346 B D H X S+ 0 0 91 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.896 109.2 50.6 -62.9 -43.7 42.9 4.1 44.4 638 347 B L H X S+ 0 0 15 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.912 111.4 49.2 -61.8 -41.6 40.4 1.4 45.3 639 348 B F H X S+ 0 0 13 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.907 109.0 52.6 -64.8 -40.3 40.7 0.0 41.8 640 349 B L H X S+ 0 0 91 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.892 106.3 54.1 -60.9 -39.9 44.5 0.1 42.1 641 350 B Q H X S+ 0 0 74 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.921 109.1 48.7 -59.0 -44.4 44.1 -1.9 45.4 642 351 B F H X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.935 109.7 50.9 -62.1 -45.3 42.1 -4.5 43.5 643 352 B K H X S+ 0 0 68 -4,-2.5 4,-0.6 1,-0.2 3,-0.3 0.884 106.9 54.9 -63.4 -33.6 44.7 -4.7 40.7 644 353 B M H >< S+ 0 0 114 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.940 104.6 53.9 -62.9 -44.7 47.5 -5.2 43.3 645 354 B Y H 3< S+ 0 0 122 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.795 99.9 61.8 -62.9 -25.5 45.6 -8.2 44.8 646 355 B R H 3< 0 0 84 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.741 360.0 360.0 -71.9 -20.0 45.4 -9.8 41.3 647 356 B K << 0 0 224 -3,-1.6 -1,-0.2 -4,-0.6 -2,-0.2 0.516 360.0 360.0 -77.1 360.0 49.3 -9.9 41.3