==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOTOSYNTHESIS 31-MAR-05 2BNP . COMPND 2 MOLECULE: REACTION CENTRE PROTEIN L CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES; . AUTHOR G.KATONA,A.SNIJDER,P.GOURDON,U.ANDREASSON,O.HANSSON, . 819 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33651.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 568 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 30 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 329 40.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.4 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 2 1 3 1 0 0 0 1 1 0 2 0 0 3 0 0 0 0 1 1 1 2 1 1 2 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 7 3 3 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 4 1 0 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 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 1 A A 0 0 28 0, 0.0 2,-0.3 0, 0.0 617,-0.2 0.000 360.0 360.0 360.0 166.0 65.9 44.7 74.6 2 2 A L B -A 617 0A 4 615,-3.1 615,-2.9 613,-0.0 622,-0.2 -0.793 360.0-114.5-115.3 148.8 68.4 42.9 72.4 3 3 A L >> - 0 0 1 -2,-0.3 3,-1.9 613,-0.2 4,-0.6 -0.477 47.2-103.8 -66.2 153.9 72.1 42.7 71.7 4 4 A S T 34 S+ 0 0 11 609,-2.3 651,-0.1 1,-0.3 -1,-0.1 0.718 120.8 35.5 -59.6 -19.9 72.9 44.0 68.1 5 5 A F T 34 S+ 0 0 5 1,-0.1 -1,-0.3 2,-0.1 3,-0.2 0.280 96.1 88.6-114.2 7.2 73.4 40.4 66.9 6 6 A E T X> + 0 0 0 -3,-1.9 3,-2.1 1,-0.2 4,-0.6 0.799 65.3 76.1 -82.7 -35.1 70.8 38.6 69.0 7 7 A R G >< S+ 0 0 75 -4,-0.6 3,-1.5 1,-0.3 -1,-0.2 0.853 89.2 58.3 -50.9 -43.7 67.7 38.8 66.8 8 8 A K G 34 S+ 0 0 1 1,-0.3 676,-3.1 -3,-0.2 -1,-0.3 0.717 106.5 49.9 -63.1 -20.2 68.8 36.1 64.4 9 9 A Y G <4 S+ 0 0 0 -3,-2.1 2,-1.6 -4,-0.2 -1,-0.3 0.527 82.5 94.5 -95.0 -6.9 69.1 33.6 67.2 10 10 A R << + 0 0 2 -3,-1.5 662,-2.9 -4,-0.6 -1,-0.2 -0.289 57.4 140.2 -86.9 57.4 65.7 34.2 68.8 11 11 A V - 0 0 0 -2,-1.6 662,-0.2 660,-0.2 2,-0.2 -0.510 58.1 -95.5 -95.6 161.1 63.9 31.4 67.0 12 12 A P S S+ 0 0 47 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.515 79.4 59.5 -69.2 142.8 61.2 28.9 68.2 13 13 A G + 0 0 23 -2,-0.2 97,-0.1 6,-0.1 803,-0.0 -0.363 42.8 93.5 126.9 162.4 62.5 25.5 69.4 14 14 A G + 0 0 12 1,-0.3 95,-0.2 -2,-0.1 96,-0.2 0.226 53.7 136.9 109.8 -9.2 64.7 23.7 71.8 15 15 A T - 0 0 31 4,-0.1 -1,-0.3 1,-0.1 3,-0.1 -0.354 37.8-167.3 -77.9 149.5 62.3 23.0 74.6 16 16 A L S S+ 0 0 84 1,-0.3 2,-0.3 86,-0.1 -1,-0.1 0.688 78.5 25.3 -97.3 -30.5 62.1 19.7 76.3 17 17 A V S S+ 0 0 65 2,-0.1 16,-0.6 1,-0.1 -1,-0.3 -0.999 113.5 26.8-139.8 137.4 58.8 20.3 78.1 18 18 A G S > S- 0 0 26 -2,-0.3 3,-1.9 -3,-0.1 2,-0.3 0.298 83.7-127.7 102.0 -5.7 55.8 22.5 77.3 19 19 A G T 3 S- 0 0 47 1,-0.3 3,-0.2 2,-0.1 -4,-0.1 -0.496 75.9 -27.1 64.8-125.9 56.1 22.7 73.5 20 20 A N T > S+ 0 0 130 -2,-0.3 3,-0.8 1,-0.1 -1,-0.3 0.306 114.2 100.5-101.5 8.2 56.0 26.4 72.5 21 21 A L T < S+ 0 0 123 -3,-1.9 -1,-0.1 1,-0.2 -2,-0.1 0.857 95.9 25.3 -63.5 -42.4 53.9 27.5 75.6 22 22 A F T 3 S+ 0 0 64 -3,-0.2 10,-2.4 -5,-0.2 2,-1.9 0.197 87.9 124.0-107.3 19.2 56.8 28.8 77.6 23 23 A D < + 0 0 6 -3,-0.8 2,-0.3 8,-0.2 -1,-0.1 -0.485 51.2 90.6 -85.5 70.3 59.1 29.6 74.6 24 24 A F - 0 0 55 -2,-1.9 7,-2.4 646,-0.1 8,-0.4 -0.955 65.0-116.6-156.2 169.5 59.7 33.2 75.3 25 25 A W E -C 30 0B 6 644,-2.9 2,-0.6 -2,-0.3 5,-0.2 -0.875 5.1-150.5-114.0 144.8 62.0 35.8 76.9 26 26 A V E > S-C 29 0B 91 3,-2.7 3,-1.7 -2,-0.3 643,-0.1 -0.942 77.3 -50.4-109.2 105.8 61.5 38.3 79.7 27 27 A G T 3 S- 0 0 27 -2,-0.6 642,-0.1 1,-0.3 -2,-0.0 -0.554 125.7 -20.4 62.2-126.1 63.9 41.1 78.9 28 28 A P T 3 S+ 0 0 27 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.776 119.2 99.3 -75.7 -27.6 67.2 39.3 78.4 29 29 A F E < -C 26 0B 89 -3,-1.7 -3,-2.7 509,-0.1 2,-0.2 -0.416 66.7-139.4 -73.9 126.6 66.1 36.2 80.3 30 30 A Y E -C 25 0B 4 506,-1.7 -5,-0.2 -2,-0.2 -7,-0.1 -0.564 18.8-166.2 -70.0 147.4 64.9 33.1 78.5 31 31 A V > + 0 0 18 -7,-2.4 4,-0.6 -9,-0.2 -8,-0.2 0.805 19.8 153.8 -99.7 -86.2 61.9 31.5 80.3 32 32 A G H >> - 0 0 0 -10,-2.4 4,-1.6 -8,-0.4 3,-0.7 0.072 69.5 -66.6 68.7 170.6 60.9 28.0 79.3 33 33 A F H 3> S+ 0 0 76 -16,-0.6 4,-1.9 1,-0.3 -1,-0.2 0.888 138.8 52.0 -57.8 -39.1 59.1 25.5 81.5 34 34 A F H 3> S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.663 102.8 58.4 -78.0 -17.6 62.1 25.3 83.7 35 35 A G H S+ 0 0 0 -4,-1.5 5,-1.8 2,-0.2 4,-1.2 0.851 105.9 50.8 -74.8 -39.0 63.0 35.1 109.8 54 54 A V H <5S+ 0 0 82 -4,-1.9 3,-0.2 2,-0.2 -2,-0.2 0.912 113.4 48.4 -62.6 -41.8 59.7 36.4 111.3 55 55 A L H <5S+ 0 0 91 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.853 110.3 50.0 -64.7 -37.1 59.9 33.4 113.7 56 56 A Q H <5S- 0 0 81 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.722 110.8-124.2 -75.0 -19.8 63.6 34.1 114.6 57 57 A G T <5S+ 0 0 67 -4,-1.2 2,-0.3 -3,-0.2 -3,-0.2 0.787 72.5 96.6 79.9 30.2 62.6 37.8 115.3 58 58 A T < - 0 0 43 -5,-1.8 -1,-0.2 1,-0.1 -2,-0.2 -0.997 47.8-170.2-147.3 151.5 65.1 39.5 112.9 59 59 A W + 0 0 183 -2,-0.3 -1,-0.1 -3,-0.1 5,-0.1 0.591 57.9 115.4-104.1 -24.7 65.4 41.0 109.4 60 60 A N >> - 0 0 80 1,-0.2 4,-1.9 2,-0.1 3,-1.7 -0.275 58.9-150.4 -49.9 116.2 69.2 41.3 109.4 61 61 A P T 34 S+ 0 0 82 0, 0.0 89,-0.6 0, 0.0 -1,-0.2 0.733 96.0 64.8 -63.9 -19.8 70.6 39.0 106.7 62 62 A Q T 34 S+ 0 0 97 1,-0.2 89,-0.3 88,-0.1 -2,-0.1 0.647 112.7 32.1 -72.3 -17.5 73.7 38.7 108.9 63 63 A L T <4 S+ 0 0 101 -3,-1.7 -1,-0.2 87,-0.1 2,-0.1 0.674 86.8 109.6-116.8 -26.0 71.7 37.0 111.6 64 64 A I < + 0 0 24 -4,-1.9 86,-0.5 -5,-0.1 2,-0.3 -0.369 41.5 168.4 -57.6 129.6 69.0 35.0 109.8 65 65 A S E -D 149 0C 4 84,-0.2 2,-0.7 -13,-0.1 84,-0.3 -0.926 26.8-157.1-150.4 119.9 69.7 31.4 110.0 66 66 A V E -D 148 0C 2 82,-2.3 82,-2.4 -2,-0.3 -13,-0.0 -0.884 22.1-157.5 -97.3 106.4 67.5 28.4 109.1 67 67 A Y - 0 0 134 -2,-0.7 19,-0.5 80,-0.2 18,-0.1 -0.572 13.0-122.9 -84.4 147.7 68.7 25.4 111.2 68 68 A P - 0 0 18 0, 0.0 16,-0.1 0, 0.0 75,-0.1 -0.368 50.3 -67.5 -76.3 170.7 68.0 21.9 110.1 69 69 A P - 0 0 2 0, 0.0 14,-0.2 0, 0.0 5,-0.0 -0.121 60.5 -92.9 -56.1 153.5 66.2 19.5 112.5 70 70 A A > - 0 0 51 12,-0.6 3,-1.7 1,-0.1 73,-0.3 -0.266 39.5-108.2 -59.7 156.3 67.9 18.4 115.7 71 71 A L G > S+ 0 0 80 1,-0.3 3,-2.2 72,-0.2 -1,-0.1 0.815 116.0 70.0 -57.7 -30.5 69.8 15.1 115.4 72 72 A E G 3 S+ 0 0 173 1,-0.3 -1,-0.3 69,-0.1 3,-0.1 0.731 86.5 67.9 -64.8 -20.5 67.2 13.4 117.5 73 73 A Y G X S- 0 0 84 -3,-1.7 3,-2.2 1,-0.2 -1,-0.3 0.611 83.1-171.0 -70.5 -11.2 64.8 13.8 114.6 74 74 A G T < - 0 0 20 -3,-2.2 68,-1.9 1,-0.3 69,-0.4 -0.324 64.3 -31.3 53.0-127.1 66.9 11.3 112.5 75 75 A L T 3 S+ 0 0 81 66,-0.2 -1,-0.3 -3,-0.1 66,-0.1 0.060 110.1 115.1-108.8 20.6 65.5 11.3 109.0 76 76 A G S < S- 0 0 34 -3,-2.2 66,-0.2 1,-0.1 2,-0.1 -0.413 75.5 -95.5 -78.6 163.6 61.9 12.1 109.9 77 77 A G - 0 0 64 -2,-0.1 -1,-0.1 10,-0.0 7,-0.1 -0.477 41.9-152.1 -68.7 152.3 60.1 15.2 109.1 78 78 A A - 0 0 17 -2,-0.1 5,-0.1 5,-0.1 9,-0.1 -0.871 27.0 -84.0-125.0 159.4 60.1 17.9 111.8 79 79 A P > > - 0 0 64 0, 0.0 5,-1.9 0, 0.0 3,-1.4 -0.405 49.7-105.4 -61.4 141.0 57.6 20.8 112.7 80 80 A L G > >S+ 0 0 88 4,-0.3 5,-2.3 1,-0.3 3,-1.1 0.813 119.2 45.0 -28.8 -60.5 58.1 23.9 110.6 81 81 A A G 3 5S+ 0 0 77 1,-0.2 -1,-0.3 3,-0.2 5,-0.0 0.823 112.8 50.5 -62.6 -33.9 59.8 25.9 113.4 82 82 A K G < 5S- 0 0 133 -3,-1.4 -12,-0.6 1,-0.1 -1,-0.2 -0.059 141.7 -49.0-102.5 30.6 62.2 23.0 114.6 83 83 A G T <>5S+ 0 0 3 -3,-1.1 4,-1.9 -14,-0.2 -3,-0.2 0.174 111.5 102.2 126.6 -14.9 63.7 22.0 111.2 84 84 A G H > S+ 0 0 3 -19,-0.5 4,-2.2 -6,-0.3 -2,-0.2 0.911 109.3 52.2 -60.5 -42.7 64.9 23.9 106.5 87 87 A Q H X S+ 0 0 31 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.886 114.0 41.3 -64.2 -40.7 63.7 20.6 105.0 88 88 A I H X S+ 0 0 63 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.883 113.4 53.3 -74.9 -39.5 61.2 22.4 102.6 89 89 A I H X S+ 0 0 10 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.849 108.8 51.0 -64.5 -33.4 63.8 25.1 101.8 90 90 A T H X S+ 0 0 13 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.902 108.8 49.8 -68.2 -44.1 66.2 22.4 100.9 91 91 A I H X S+ 0 0 114 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.903 113.1 48.1 -59.5 -39.6 63.7 20.7 98.6 92 92 A C H X S+ 0 0 6 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.852 110.9 50.4 -70.1 -36.0 63.0 24.0 97.0 93 93 A A H X S+ 0 0 19 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.917 111.3 48.6 -65.8 -45.1 66.7 24.7 96.6 94 94 A T H X S+ 0 0 36 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.906 112.3 47.4 -64.7 -41.2 67.2 21.3 95.0 95 95 A G H X S+ 0 0 15 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.802 112.5 50.8 -71.4 -28.7 64.3 21.8 92.6 96 96 A A H X S+ 0 0 13 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.906 112.2 45.0 -72.5 -41.6 65.6 25.3 91.7 97 97 A F H X S+ 0 0 69 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.935 115.3 46.6 -70.6 -44.5 69.1 24.2 90.9 98 98 A V H X S+ 0 0 62 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.904 114.8 48.1 -63.7 -40.6 68.0 21.1 88.9 99 99 A S H X S+ 0 0 9 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.849 108.6 53.7 -65.7 -37.8 65.4 23.3 87.0 100 100 A W H X S+ 0 0 74 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.908 110.2 48.7 -61.3 -41.0 68.1 26.0 86.3 101 101 A A H X S+ 0 0 13 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.952 111.3 47.4 -64.6 -51.6 70.3 23.3 84.8 102 102 A L H X S+ 0 0 62 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.828 110.6 53.7 -60.8 -37.4 67.5 21.9 82.6 103 103 A R H X S+ 0 0 10 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.888 105.1 53.5 -58.7 -44.7 66.7 25.4 81.5 104 104 A E H X S+ 0 0 5 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.895 107.1 53.5 -56.3 -38.9 70.4 25.8 80.5 105 105 A V H X S+ 0 0 28 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.924 106.1 50.6 -64.0 -45.8 70.0 22.7 78.4 106 106 A E H X S+ 0 0 1 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.905 111.7 49.3 -54.6 -41.2 66.9 24.2 76.6 107 107 A I H X S+ 0 0 1 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.900 108.5 52.9 -69.9 -39.6 69.1 27.3 76.0 108 108 A C H X>S+ 0 0 0 -4,-2.6 5,-1.9 1,-0.2 4,-0.7 0.892 108.5 50.6 -57.6 -41.8 71.9 25.1 74.7 109 109 A R H ><5S+ 0 0 101 -4,-2.2 3,-0.5 -95,-0.2 -2,-0.2 0.893 108.7 50.6 -69.3 -39.0 69.5 23.3 72.2 110 110 A K H 3<5S+ 0 0 2 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.857 116.6 40.7 -65.8 -36.5 68.1 26.6 70.8 111 111 A L H 3<5S- 0 0 0 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.458 107.2-127.8 -92.0 -4.1 71.6 27.9 70.2 112 112 A G T <<5 + 0 0 4 -4,-0.7 2,-0.2 -3,-0.5 -3,-0.2 0.806 61.6 133.0 61.4 37.4 72.9 24.6 68.9 113 113 A I < - 0 0 5 -5,-1.9 -1,-0.2 1,-0.2 395,-0.2 -0.621 61.7 -80.0-109.3 168.0 75.9 24.4 71.2 114 114 A G - 0 0 1 393,-1.6 3,-0.4 -2,-0.2 -1,-0.2 -0.116 32.3-121.7 -60.5 167.0 77.2 21.6 73.4 115 115 A Y S > S+ 0 0 74 1,-0.2 4,-1.8 2,-0.1 5,-0.2 0.094 74.5 119.8 -97.9 24.9 75.7 20.7 76.9 116 116 A H H > + 0 0 4 387,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.801 67.2 56.2 -62.2 -33.9 79.1 21.2 78.6 117 117 A I H > S+ 0 0 6 -3,-0.4 4,-2.1 386,-0.2 -1,-0.2 0.934 110.2 39.5 -71.4 -52.9 77.8 24.0 80.9 118 118 A P H > S+ 0 0 9 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.871 113.5 56.3 -64.1 -37.6 74.8 22.3 82.6 119 119 A F H < S+ 0 0 108 -4,-1.8 4,-0.5 1,-0.2 -2,-0.2 0.924 112.6 43.9 -53.7 -43.1 76.9 19.0 82.9 120 120 A A H >X S+ 0 0 9 -4,-1.7 3,-1.0 1,-0.2 4,-0.8 0.851 109.3 53.6 -71.7 -39.6 79.4 21.2 84.7 121 121 A F H 3X S+ 0 0 57 -4,-2.1 4,-1.7 1,-0.2 3,-0.3 0.794 97.9 69.3 -67.0 -25.1 76.9 23.0 86.9 122 122 A A H 3X S+ 0 0 35 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.750 90.8 58.9 -62.8 -30.1 75.7 19.5 87.9 123 123 A F H <> S+ 0 0 55 -3,-1.0 4,-2.1 -4,-0.5 -1,-0.2 0.885 105.0 49.4 -66.5 -40.6 78.9 18.9 89.9 124 124 A A H X S+ 0 0 50 -4,-0.8 4,-2.1 -3,-0.3 -2,-0.2 0.908 111.4 50.5 -60.9 -41.3 78.2 21.9 92.0 125 125 A I H X S+ 0 0 12 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.892 109.4 49.6 -64.2 -40.0 74.7 20.6 92.5 126 126 A L H X S+ 0 0 88 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.825 108.8 52.9 -69.1 -34.8 76.0 17.1 93.5 127 127 A A H X S+ 0 0 21 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.917 110.6 47.5 -65.3 -43.6 78.4 18.8 96.0 128 128 A Y H X S+ 0 0 30 -4,-2.1 4,-2.0 1,-0.2 5,-0.3 0.934 111.9 50.1 -58.7 -47.8 75.4 20.6 97.6 129 129 A L H X>S+ 0 0 19 -4,-2.6 5,-2.8 1,-0.2 4,-2.3 0.789 105.2 58.6 -66.9 -26.9 73.5 17.4 97.7 130 130 A T H <>S+ 0 0 10 -4,-1.6 5,-2.2 3,-0.2 -1,-0.2 0.923 112.7 37.9 -65.2 -43.8 76.4 15.7 99.3 131 131 A L H <5S+ 0 0 45 -4,-1.6 15,-0.2 -3,-0.2 -2,-0.2 0.803 129.3 31.7 -76.8 -28.7 76.4 18.1 102.3 132 132 A V H <5S+ 0 0 0 -4,-2.0 -3,-0.2 13,-0.2 -2,-0.2 0.723 136.3 7.0-105.5 -26.6 72.7 18.4 102.5 133 133 A L T X5S+ 0 0 59 -4,-2.3 4,-2.0 -5,-0.3 -3,-0.2 0.736 121.7 44.4-126.5 -60.6 71.3 15.0 101.4 134 134 A F H >>S+ 0 0 0 0, 0.0 5,-1.3 0, 0.0 4,-1.2 0.870 111.2 50.1 -51.7 -40.9 73.1 13.2 106.2 137 137 A V H <5S+ 0 0 67 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.934 112.5 45.3 -65.9 -45.7 71.3 10.1 105.0 138 138 A M H <5S+ 0 0 114 -4,-2.2 -1,-0.2 1,-0.2 -3,-0.1 0.781 115.0 49.7 -67.3 -24.8 74.3 7.9 105.4 139 139 A M H <5S- 0 0 36 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.635 115.1-115.6 -91.1 -16.0 74.9 9.4 108.8 140 140 A G T <5S+ 0 0 35 -4,-1.2 2,-0.3 -3,-0.5 -3,-0.2 0.307 80.5 64.6 104.4 -5.7 71.3 8.9 110.0 141 141 A A > < - 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0 0 51 -3,-0.6 -3,-0.2 -4,-0.5 -2,-0.1 0.867 64.4 -66.2 66.1 35.4 120.1 10.6 111.1 362 80 B W S - 0 0 49 -3,-0.5 4,-1.9 -6,-0.4 -1,-0.2 -0.866 41.4-161.1-106.7 108.6 118.9 6.8 107.4 364 82 B P H > S+ 0 0 78 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.833 92.8 52.9 -60.3 -36.9 117.3 6.3 103.9 365 83 B A H > S+ 0 0 33 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.932 112.0 45.6 -62.6 -45.1 114.5 4.1 105.3 366 84 B V H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -87,-0.2 0.796 107.8 60.4 -65.8 -30.1 113.6 6.8 108.0 367 85 B F H < S+ 0 0 35 -4,-1.9 4,-0.4 2,-0.2 -1,-0.2 0.941 108.0 41.7 -62.0 -51.7 113.8 9.4 105.3 368 86 B L H >< S+ 0 0 84 -4,-1.8 3,-0.9 1,-0.2 4,-0.3 0.925 114.7 51.9 -65.7 -41.5 111.0 7.9 103.2 369 87 B R H 3< S+ 0 0 1 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.888 121.7 27.9 -66.6 -38.5 108.9 7.1 106.3 370 88 B D T >X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 3,-1.1 0.120 81.9 119.0-110.6 19.7 108.9 10.6 107.9 371 89 B L T <4 S+ 0 0 57 -3,-0.9 90,-0.3 -4,-0.4 3,-0.3 0.867 80.9 45.0 -53.5 -41.6 109.4 12.7 104.7 372 90 B F T 34 S+ 0 0 84 -4,-0.3 90,-2.4 -3,-0.3 91,-0.4 0.635 112.4 52.9 -80.4 -15.0 106.1 14.5 105.3 373 91 B F T <4 S+ 0 0 44 -3,-1.1 -1,-0.2 88,-0.1 -2,-0.2 0.612 83.0 102.5 -97.4 -16.4 106.8 15.0 109.0 374 92 B F < - 0 0 0 -4,-1.4 89,-0.4 -3,-0.3 2,-0.3 -0.384 51.7-173.1 -65.5 150.0 110.2 16.7 108.7 375 93 B S - 0 0 9 85,-0.1 2,-1.1 -20,-0.1 85,-0.2 -0.948 28.4-148.3-151.8 124.0 110.2 20.5 109.1 376 94 B L B -P 459 0H 2 83,-1.9 83,-2.5 -2,-0.3 84,-0.0 -0.823 34.7-163.6 -84.2 98.3 112.8 23.2 108.7 377 95 B E - 0 0 97 -2,-1.1 20,-0.3 81,-0.2 17,-0.1 -0.539 14.7-118.4 -85.5 150.6 111.5 25.5 111.4 378 96 B P - 0 0 15 0, 0.0 17,-0.1 0, 0.0 -1,-0.1 -0.197 50.3 -66.8 -70.9 174.8 112.5 29.2 111.6 379 97 B P - 0 0 2 0, 0.0 15,-0.2 0, 0.0 5,-0.0 -0.257 56.8-104.6 -58.5 153.6 114.4 30.6 114.7 380 98 B A > - 0 0 40 13,-0.4 3,-1.2 -3,-0.1 4,-0.2 -0.248 39.2 -96.8 -70.9 168.2 112.5 30.7 118.0 381 99 B P G > S+ 0 0 90 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.775 115.0 74.8 -63.9 -30.1 111.2 34.2 119.2 382 100 B E G 3 S+ 0 0 156 1,-0.3 70,-0.0 2,-0.1 0, 0.0 0.819 95.9 51.6 -47.8 -37.0 114.3 34.8 121.5 383 101 B Y G X S- 0 0 66 -3,-1.2 3,-2.0 1,-0.2 -1,-0.3 0.507 87.1-173.8 -83.8 -6.8 116.4 35.6 118.4 384 102 B G T < - 0 0 16 -3,-1.9 69,-2.0 1,-0.2 -1,-0.2 -0.151 64.7 -22.6 52.3-132.2 113.9 38.1 117.0 385 103 B L T 3 S+ 0 0 59 66,-0.4 -1,-0.2 67,-0.2 2,-0.2 0.033 101.9 130.6 -98.9 29.1 114.8 39.3 113.5 386 104 B S < - 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0 0 0 -5,-2.6 -1,-0.2 -224,-0.3 -227,-0.2 -0.401 57.0 -91.5 -92.7 168.2 103.3 41.0 74.7 425 143 B G - 0 0 6 -229,-1.8 3,-0.3 -232,-0.2 -1,-0.1 -0.231 31.8-120.2 -68.9 169.9 101.6 42.7 77.6 426 144 B K S > S+ 0 0 25 1,-0.2 4,-2.4 2,-0.1 5,-0.2 -0.063 74.0 120.1-107.6 30.0 102.8 42.3 81.1 427 145 B H H > S+ 0 0 41 -235,-0.3 4,-1.9 1,-0.2 5,-0.2 0.830 72.8 53.3 -67.4 -33.2 99.6 40.8 82.4 428 146 B T H > S+ 0 0 3 -3,-0.3 4,-1.8 -236,-0.2 -1,-0.2 0.929 110.8 46.4 -69.1 -46.3 101.4 37.5 83.5 429 147 B A H > S+ 0 0 1 -14,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.915 113.5 48.8 -59.4 -44.5 104.0 39.4 85.5 430 148 B W H < S+ 0 0 152 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.848 113.2 46.0 -69.7 -33.9 101.4 41.6 87.2 431 149 B A H >X S+ 0 0 11 -4,-1.9 4,-0.9 1,-0.2 3,-0.7 0.822 109.3 56.6 -74.6 -31.7 99.1 38.7 88.1 432 150 B F H 3X S+ 0 0 57 -4,-1.8 4,-2.2 1,-0.2 3,-0.5 0.858 97.6 62.5 -67.4 -34.0 102.2 36.8 89.4 433 151 B L H 3X S+ 0 0 58 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.738 95.9 61.4 -60.8 -26.2 102.9 39.7 91.7 434 152 B S H <> S+ 0 0 11 -3,-0.7 4,-1.2 -4,-0.4 -1,-0.2 0.890 107.3 41.8 -68.7 -41.1 99.6 39.0 93.4 435 153 B A H X S+ 0 0 44 -4,-0.9 4,-2.1 -3,-0.5 3,-0.2 0.900 112.5 54.0 -69.5 -43.9 100.8 35.5 94.4 436 154 B I H X S+ 0 0 4 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.853 103.4 59.4 -57.1 -36.0 104.2 36.8 95.4 437 155 B W H X S+ 0 0 77 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.911 105.5 45.4 -63.4 -45.1 102.5 39.3 97.7 438 156 B L H X S+ 0 0 48 -4,-1.2 4,-2.5 -3,-0.2 -1,-0.2 0.930 116.7 47.2 -62.6 -45.6 100.8 36.6 99.8 439 157 B W H X S+ 0 0 48 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.914 110.3 52.1 -59.3 -44.3 104.0 34.7 99.9 440 158 B M H X>S+ 0 0 32 -4,-3.1 5,-2.7 1,-0.2 4,-1.9 0.876 110.9 48.4 -64.8 -35.2 106.0 37.8 100.8 441 159 B V H <>S+ 0 0 0 -4,-2.1 5,-1.8 3,-0.2 -2,-0.2 0.932 112.9 45.9 -70.6 -47.3 103.5 38.5 103.7 442 160 B L H <5S+ 0 0 42 -4,-2.5 -2,-0.2 1,-0.2 15,-0.2 0.920 126.5 28.0 -62.1 -44.1 103.6 35.0 105.1 443 161 B G H <5S+ 0 0 9 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.693 137.3 1.6 -91.9 -21.8 107.4 34.7 105.0 444 162 B F T X5S+ 0 0 26 -4,-1.9 4,-1.5 -5,-0.3 -3,-0.2 0.678 119.2 48.2-140.0 -56.0 108.8 38.2 105.3 445 163 B I H >S+ 0 0 0 0, 0.0 5,-1.5 0, 0.0 4,-0.4 0.823 111.3 51.1 -58.6 -32.5 107.3 38.3 110.5 448 166 B I H ><5S+ 0 0 83 -4,-1.5 3,-0.5 2,-0.2 -2,-0.2 0.883 110.5 46.5 -72.9 -41.1 109.3 41.6 110.3 449 167 B L H 3<5S+ 0 0 107 -4,-1.7 -1,-0.2 1,-0.2 -3,-0.1 0.704 112.1 53.5 -71.5 -20.3 106.4 43.7 111.6 450 168 B M T 3<5S- 0 0 57 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.531 112.9-123.3 -90.8 -11.1 105.9 41.1 114.4 451 169 B G T < 5S+ 0 0 39 -3,-0.5 -66,-0.4 -4,-0.4 2,-0.3 0.457 77.9 74.1 88.5 2.0 109.5 41.4 115.3 452 170 B S > < - 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0 0 62 1,-0.1 4,-2.3 -99,-0.1 -99,-0.3 -0.939 59.4-170.1-144.9 112.4 91.1 38.5 117.5 576 294 B W H > S+ 0 0 0 -101,-2.4 4,-2.3 -2,-0.4 -100,-0.2 0.887 89.3 51.4 -79.5 -39.8 88.9 38.4 114.3 577 295 B Y H > S+ 0 0 102 -101,-2.0 4,-1.4 -102,-0.2 -1,-0.2 0.934 115.1 44.2 -57.7 -47.5 85.8 37.1 115.9 578 296 B V H > S+ 0 0 77 1,-0.2 4,-0.7 2,-0.2 3,-0.5 0.929 113.4 50.2 -62.6 -47.4 86.0 39.7 118.6 579 297 B W H >X S+ 0 0 35 -4,-2.3 4,-2.1 1,-0.2 3,-0.7 0.862 108.1 55.4 -60.7 -37.0 86.8 42.5 116.2 580 298 B G H 3< S+ 0 0 28 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.813 99.0 59.3 -64.8 -35.0 83.9 41.4 114.0 581 299 B Q H 3< S+ 0 0 114 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.666 115.0 35.3 -76.2 -14.4 81.3 41.7 116.8 582 300 B N H << 0 0 122 -3,-0.7 -2,-0.2 -4,-0.7 -1,-0.2 0.839 360.0 360.0 -96.0 -51.6 82.1 45.4 117.3 583 301 B H < 0 0 138 -4,-2.1 -3,-0.2 0, 0.0 -4,-0.0 0.847 360.0 360.0 -93.1 360.0 82.8 46.7 113.7 584 !* 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 0.0 585 11 C D > 0 0 99 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 147.5 90.5 51.4 113.0 586 12 C L H > + 0 0 90 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.825 360.0 50.5 -70.8 -34.9 92.9 50.4 110.2 587 13 C A H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.911 110.4 51.7 -65.8 -41.1 91.3 47.0 109.3 588 14 C S H > S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.876 110.5 49.0 -57.6 -39.7 87.9 48.7 109.1 589 15 C L H X S+ 0 0 104 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.886 111.2 50.0 -70.5 -39.6 89.5 51.3 106.8 590 16 C A H X S+ 0 0 22 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.948 113.9 42.9 -60.7 -51.4 91.0 48.5 104.6 591 17 C I H X S+ 0 0 25 -4,-2.5 4,-2.1 1,-0.2 3,-0.2 0.934 115.3 48.0 -68.1 -45.7 87.8 46.5 104.3 592 18 C Y H X S+ 0 0 162 -4,-2.1 4,-1.3 -5,-0.3 -1,-0.2 0.884 112.0 51.8 -60.2 -37.1 85.6 49.5 103.6 593 19 C S H X S+ 0 0 58 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.827 107.2 53.3 -67.6 -33.7 88.2 50.7 101.0 594 20 C F H X S+ 0 0 15 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.898 103.4 53.7 -73.3 -42.1 88.2 47.4 99.3 595 21 C W H X S+ 0 0 143 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.853 109.3 51.2 -60.1 -33.3 84.4 47.3 98.8 596 22 C I H X S+ 0 0 105 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.910 112.8 46.1 -63.7 -44.9 84.8 50.8 97.2 597 23 C F H X S+ 0 0 84 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.885 111.1 51.8 -65.0 -39.1 87.5 49.3 94.9 598 24 C L H X S+ 0 0 15 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.868 107.8 50.3 -71.4 -37.6 85.5 46.2 94.1 599 25 C A H X S+ 0 0 63 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.877 113.2 48.4 -66.7 -36.2 82.4 48.2 93.1 600 26 C G H X S+ 0 0 44 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.822 111.6 49.5 -67.6 -34.1 84.7 50.3 90.8 601 27 C L H X S+ 0 0 14 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.880 110.5 49.0 -73.8 -43.5 86.3 47.2 89.4 602 28 C I H X S+ 0 0 73 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.882 110.4 51.8 -60.5 -40.7 82.9 45.6 88.6 603 29 C Y H X S+ 0 0 116 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.940 112.8 44.9 -62.7 -46.2 81.8 48.7 86.9 604 30 C Y H X S+ 0 0 85 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.894 113.3 50.5 -64.1 -46.7 84.9 48.8 84.8 605 31 C L H X S+ 0 0 5 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.888 109.4 50.4 -60.1 -42.6 84.6 45.1 84.0 606 32 C Q H < S+ 0 0 15 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.863 112.1 46.9 -69.7 -35.0 80.9 45.3 82.9 607 33 C T H >< S+ 0 0 14 -4,-1.7 3,-1.5 -5,-0.2 -1,-0.2 0.842 107.7 56.4 -72.3 -32.2 81.7 48.3 80.6 608 34 C E H >< S+ 0 0 18 -4,-2.0 3,-0.9 1,-0.3 -62,-0.2 0.834 105.0 55.2 -64.1 -27.2 84.7 46.4 79.2 609 35 C N T 3< S+ 0 0 0 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.220 95.9 66.2 -93.4 16.6 82.1 43.6 78.4 610 36 C M T < + 0 0 5 -3,-1.5 4,-0.4 1,-0.1 -1,-0.2 0.156 65.4 102.9-116.4 15.9 79.9 46.0 76.4 611 37 C R S < S+ 0 0 23 -3,-0.9 2,-0.3 38,-0.1 40,-0.2 0.521 85.6 44.1 -79.7 -5.6 82.5 46.6 73.6 612 38 C E S S+ 0 0 25 -3,-0.1 -1,-0.1 37,-0.1 37,-0.0 -0.998 115.3 15.2-134.3 143.6 80.4 44.2 71.5 613 39 C G S S+ 0 0 0 -2,-0.3 -609,-2.3 1,-0.3 -607,-0.1 0.159 93.2 147.4 89.7 -18.0 76.7 44.0 71.0 614 40 C Y + 0 0 18 -4,-0.4 -1,-0.3 -611,-0.2 2,-0.2 -0.744 35.1 56.8-104.9 154.0 75.8 47.4 72.5 615 41 C P S S- 0 0 59 0, 0.0 -611,-0.1 0, 0.0 12,-0.1 0.482 89.4-124.6 -72.7 155.4 74.0 49.6 72.3 616 42 C L - 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