==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 10-MAY-06 2GZ4 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN ATU1052; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR R.ZHANG,X.XU,H.ZHENG,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDW . 791 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32538.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 522 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 3.0 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 . 4 0.5 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 . 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 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 357 45.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.5 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 6 0 0 0 12 0 0 0 0 0 0 6 0 2 0 0 1 4 1 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 6 A S 0 0 86 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.1 5.6 59.5 25.1 2 7 A P - 0 0 126 0, 0.0 2,-0.4 0, 0.0 556,-0.1 -0.344 360.0-110.5 -72.2 153.8 7.7 56.6 23.8 3 8 A R + 0 0 25 1,-0.1 3,-0.0 554,-0.1 550,-0.0 -0.690 30.3 179.6 -92.8 130.6 7.0 55.2 20.4 4 9 A A + 0 0 48 -2,-0.4 12,-2.4 12,-0.1 13,-0.5 0.431 62.8 31.9-108.4 -4.6 5.5 51.7 20.1 5 10 A W E -A 15 0A 59 10,-0.3 2,-0.6 11,-0.1 10,-0.2 -0.957 67.2-121.9-148.6 163.5 5.2 51.4 16.4 6 11 A Q E -A 14 0A 5 8,-2.4 8,-2.2 -2,-0.3 2,-0.2 -0.973 26.8-145.3-111.1 119.3 6.6 52.2 13.0 7 12 A R E -A 13 0A 54 -2,-0.6 2,-0.3 6,-0.2 6,-0.3 -0.557 16.3-141.6 -75.0 143.2 4.2 54.0 10.6 8 13 A M > - 0 0 1 4,-3.2 3,-2.0 -2,-0.2 20,-0.0 -0.756 21.2-116.4-105.4 156.6 4.6 53.1 6.9 9 14 A L T 3 S+ 0 0 52 -2,-0.3 -1,-0.1 1,-0.3 539,-0.1 0.811 116.1 62.3 -59.1 -28.6 4.4 55.4 3.9 10 15 A S T 3 S- 0 0 56 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.472 121.5-106.5 -75.1 -6.5 1.4 53.3 2.9 11 16 A G S < S+ 0 0 42 -3,-2.0 -2,-0.1 1,-0.4 -1,-0.1 0.073 85.3 108.0 104.3 -25.3 -0.5 54.3 6.0 12 17 A R - 0 0 83 -5,-0.1 -4,-3.2 11,-0.0 -1,-0.4 -0.184 52.1-151.2 -76.9 176.1 -0.3 51.0 7.9 13 18 A R E -A 7 0A 82 -6,-0.3 2,-0.4 -3,-0.1 -6,-0.2 -0.989 6.5-141.9-146.9 152.5 1.9 50.5 11.0 14 19 A L E -A 6 0A 1 -8,-2.2 -8,-2.4 -2,-0.3 2,-0.3 -0.971 23.2-123.4-118.2 130.8 3.7 47.7 12.7 15 20 A D E -A 5 0A 48 -2,-0.4 -10,-0.3 3,-0.3 8,-0.1 -0.563 20.1-145.6 -69.8 130.0 3.9 47.3 16.4 16 21 A L S S+ 0 0 3 -12,-2.4 -1,-0.1 -2,-0.3 -11,-0.1 0.852 91.7 28.2 -71.3 -38.5 7.6 47.1 17.3 17 22 A L S S+ 0 0 90 -13,-0.5 -1,-0.2 1,-0.2 -12,-0.1 0.689 134.3 28.9 -99.9 -22.4 7.5 44.7 20.2 18 23 A D S S- 0 0 108 2,-0.0 -3,-0.3 90,-0.0 -1,-0.2 -0.487 81.4-172.6-134.6 66.6 4.4 42.6 19.3 19 24 A P - 0 0 13 0, 0.0 -3,-0.1 0, 0.0 -5,-0.1 -0.313 13.4-142.4 -64.9 139.2 4.2 42.7 15.5 20 25 A S > - 0 0 42 1,-0.1 3,-1.7 92,-0.0 4,-0.3 -0.861 11.2-137.1 -96.3 136.5 1.2 41.3 13.7 21 26 A P G > S+ 0 0 35 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.823 102.7 65.6 -55.8 -30.7 1.6 39.4 10.4 22 27 A L G 3 S+ 0 0 139 1,-0.3 91,-0.0 3,-0.0 -8,-0.0 0.613 95.2 56.0 -76.1 -8.3 -1.5 41.3 9.1 23 28 A D G < S+ 0 0 56 -3,-1.7 2,-0.4 -11,-0.1 -1,-0.3 0.447 88.0 99.8 -94.8 -3.8 0.3 44.6 9.2 24 29 A V < + 0 0 0 -3,-1.5 2,-0.3 -4,-0.3 3,-0.0 -0.726 45.2 171.1 -88.6 131.6 3.2 43.3 7.0 25 30 A E >> - 0 0 52 -2,-0.4 4,-1.8 1,-0.1 3,-0.7 -0.998 36.3-132.7-139.5 141.1 3.2 44.2 3.3 26 31 A I H 3> S+ 0 0 25 -2,-0.3 4,-3.2 1,-0.3 5,-0.3 0.833 104.9 60.7 -66.1 -30.2 5.9 43.6 0.8 27 32 A A H 3> S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.886 106.9 47.0 -61.6 -38.0 5.7 47.1 -0.7 28 33 A D H <> S+ 0 0 5 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.905 114.2 47.3 -68.2 -44.7 6.6 48.5 2.8 29 34 A I H X S+ 0 0 0 -4,-1.8 4,-3.2 2,-0.2 5,-0.3 0.942 112.5 48.7 -60.2 -51.3 9.5 46.0 3.2 30 35 A A H X S+ 0 0 0 -4,-3.2 4,-1.7 1,-0.2 -2,-0.2 0.902 109.6 52.5 -60.2 -42.2 10.9 46.7 -0.3 31 36 A H H < S+ 0 0 28 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.947 116.2 38.7 -59.8 -47.2 10.8 50.5 0.1 32 37 A G H >X S+ 0 0 0 -4,-1.8 3,-2.1 1,-0.2 4,-1.8 0.934 113.7 52.2 -72.3 -47.9 12.7 50.4 3.4 33 38 A L H 3< S+ 0 0 0 -4,-3.2 19,-2.3 1,-0.3 18,-0.6 0.794 103.7 60.5 -60.2 -28.7 15.2 47.6 2.5 34 39 A A T 3< S+ 0 0 0 -4,-1.7 -1,-0.3 -5,-0.3 146,-0.2 0.448 113.7 36.5 -77.8 -1.5 16.1 49.5 -0.6 35 40 A R T <4 S+ 0 0 7 -3,-2.1 2,-0.4 405,-0.2 406,-0.2 0.573 93.0 93.9-121.5 -20.8 17.2 52.5 1.5 36 41 A V < - 0 0 8 -4,-1.8 15,-2.4 404,-0.3 16,-0.3 -0.614 69.5-140.5 -77.1 128.9 18.8 50.7 4.6 37 42 A A B -B 50 0B 8 -2,-0.4 3,-0.3 13,-0.2 13,-0.2 -0.582 4.5-140.4 -91.4 149.3 22.6 50.4 4.0 38 43 A R S > S+ 0 0 26 11,-2.9 3,-2.0 -2,-0.2 11,-0.3 -0.595 81.9 30.7 -93.0 165.4 24.9 47.5 4.9 39 44 A W G > S- 0 0 16 1,-0.3 3,-2.0 -2,-0.2 -1,-0.2 0.696 125.0 -76.8 63.1 26.5 28.4 47.8 6.3 40 45 A N G 3 S- 0 0 4 -3,-0.3 -1,-0.3 1,-0.3 396,-0.3 0.779 84.5 -65.6 51.8 32.2 27.5 51.1 8.1 41 46 A G G < S+ 0 0 0 -3,-2.0 2,-1.9 394,-0.2 -1,-0.3 0.516 100.7 134.6 73.6 7.6 27.7 52.8 4.7 42 47 A Q < + 0 0 3 -3,-2.0 2,-0.3 -4,-0.1 -1,-0.2 -0.436 40.3 122.3 -89.9 65.2 31.5 52.2 4.5 43 48 A T - 0 0 0 -2,-1.9 104,-0.2 388,-0.2 2,-0.2 -0.960 66.5-110.6-135.1 144.4 31.3 51.0 0.9 44 49 A R S S+ 0 0 112 102,-2.3 2,-0.1 -2,-0.3 3,-0.1 -0.493 75.3 65.1 -71.0 137.9 32.7 51.9 -2.4 45 50 A G S S- 0 0 32 -2,-0.2 -2,-0.1 1,-0.1 4,-0.1 -0.301 86.6 -96.9 127.5 151.5 30.3 53.5 -4.9 46 51 A D S S+ 0 0 80 127,-0.1 531,-0.4 -2,-0.1 2,-0.4 0.736 108.7 57.1 -65.7 -24.2 28.1 56.6 -5.2 47 52 A H S S- 0 0 59 126,-0.2 388,-0.1 529,-0.1 2,-0.0 -0.873 92.8-108.0-113.2 142.2 25.2 54.6 -3.8 48 53 A A - 0 0 13 -2,-0.4 2,-0.8 386,-0.1 -2,-0.1 -0.337 33.5-115.5 -57.6 147.9 24.8 52.8 -0.5 49 54 A F - 0 0 0 -11,-0.3 -11,-2.9 124,-0.1 -8,-0.2 -0.808 44.5-147.7 -89.2 109.2 24.9 49.1 -0.8 50 55 A T B > -B 37 0B 2 -2,-0.8 4,-2.2 124,-0.3 -13,-0.2 -0.343 23.2-120.9 -87.5 159.6 21.3 48.3 0.4 51 56 A V H > S+ 0 0 0 -15,-2.4 4,-2.9 -18,-0.6 -17,-0.2 0.876 114.1 59.6 -61.1 -37.7 19.9 45.4 2.4 52 57 A A H > S+ 0 0 0 -19,-2.3 4,-1.7 -16,-0.3 -1,-0.2 0.929 106.5 46.0 -57.5 -44.2 17.5 44.8 -0.6 53 58 A Q H > S+ 0 0 3 -20,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.910 111.1 53.1 -67.2 -38.2 20.5 44.3 -2.9 54 59 A H H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.934 106.8 52.8 -58.2 -46.7 22.1 42.0 -0.3 55 60 A C H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.877 107.5 51.2 -57.6 -40.3 18.9 39.9 -0.1 56 61 A L H X S+ 0 0 28 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.911 112.0 46.3 -65.3 -43.0 18.9 39.4 -3.9 57 62 A I H X S+ 0 0 3 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.921 112.1 51.7 -64.9 -43.4 22.5 38.3 -3.8 58 63 A V H X S+ 0 0 3 -4,-3.0 4,-3.2 1,-0.2 -2,-0.2 0.923 109.2 49.0 -58.9 -46.9 21.8 35.9 -0.9 59 64 A E H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.903 113.0 48.0 -63.5 -38.4 18.9 34.3 -2.6 60 65 A T H X S+ 0 0 58 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.935 114.2 45.4 -65.2 -46.5 20.9 33.8 -5.8 61 66 A I H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.936 111.2 54.6 -61.9 -44.7 23.9 32.3 -3.9 62 67 A F H X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.915 107.5 49.3 -52.9 -49.3 21.4 30.1 -1.8 63 68 A C H < S+ 0 0 38 -4,-2.2 -1,-0.2 1,-0.2 6,-0.2 0.878 112.1 48.6 -60.5 -39.1 19.9 28.7 -5.0 64 69 A R H < S+ 0 0 145 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.887 115.4 43.1 -68.8 -39.6 23.4 27.9 -6.4 65 70 A M H < S+ 0 0 77 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.736 123.7 39.4 -74.2 -23.9 24.5 26.2 -3.1 66 71 A C >< + 0 0 20 -4,-2.0 3,-2.3 -5,-0.3 -1,-0.2 -0.654 61.6 170.3-131.3 72.0 21.1 24.4 -2.8 67 72 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.720 81.6 56.2 -59.9 -18.7 20.0 23.2 -6.3 68 73 A G T 3 S+ 0 0 68 2,-0.0 -5,-0.1 0, 0.0 -2,-0.0 0.302 78.7 135.1 -94.1 9.3 17.2 21.2 -4.6 69 74 A A < - 0 0 9 -3,-2.3 -6,-0.0 -6,-0.2 -3,-0.0 -0.278 50.2-134.0 -58.4 141.8 15.7 24.2 -2.8 70 75 A T > - 0 0 36 1,-0.1 4,-2.2 127,-0.0 3,-0.3 -0.550 25.1-106.6 -88.2 161.2 12.0 24.6 -2.9 71 76 A P H > S+ 0 0 10 0, 0.0 4,-2.4 0, 0.0 123,-0.2 0.871 121.4 56.3 -56.8 -38.4 10.2 27.9 -3.8 72 77 A D H > S+ 0 0 53 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.910 108.6 48.1 -56.6 -43.1 9.2 28.3 -0.1 73 78 A E H > S+ 0 0 36 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.899 108.5 53.4 -66.5 -40.2 12.9 28.0 0.8 74 79 A M H X S+ 0 0 30 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.914 109.5 49.1 -57.2 -45.4 13.9 30.6 -1.9 75 80 A Q H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.894 108.4 52.0 -65.6 -39.8 11.4 33.0 -0.4 76 81 A M H < S+ 0 0 9 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.871 110.3 51.1 -64.6 -32.0 12.7 32.5 3.1 77 82 A A H >< S+ 0 0 2 -4,-2.0 3,-1.0 2,-0.2 4,-0.3 0.956 112.2 44.3 -66.3 -50.8 16.2 33.2 1.8 78 83 A L H 3< S+ 0 0 0 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.893 119.7 43.3 -59.1 -41.2 15.1 36.4 0.1 79 84 A L T >< S+ 0 0 2 -4,-2.6 3,-1.8 -5,-0.2 -1,-0.2 0.410 80.9 103.5 -88.0 3.1 13.1 37.5 3.1 80 85 A H T < S+ 0 0 61 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.1 0.886 90.4 37.1 -57.2 -39.2 15.7 36.5 5.8 81 86 A D T > S+ 0 0 18 -3,-0.4 3,-2.0 -4,-0.3 -1,-0.3 0.366 84.4 108.9 -94.1 9.7 16.7 40.2 6.4 82 87 A A T X + 0 0 0 -3,-1.8 3,-2.6 1,-0.3 4,-0.2 0.840 65.7 69.1 -53.3 -39.6 13.2 41.6 5.9 83 88 A P T >> S+ 0 0 14 0, 0.0 4,-2.5 0, 0.0 3,-2.2 0.748 81.2 78.1 -52.5 -23.7 12.9 42.4 9.7 84 89 A E H <> S+ 0 0 17 -3,-2.0 4,-1.5 1,-0.3 -2,-0.2 0.713 74.7 75.5 -60.1 -18.9 15.5 45.1 9.1 85 90 A Y H <4 S+ 0 0 0 -3,-2.6 -1,-0.3 -4,-0.2 357,-0.1 0.695 115.3 19.9 -66.7 -14.5 12.8 47.3 7.6 86 91 A V H <4 S+ 0 0 0 -3,-2.2 -2,-0.2 -4,-0.2 405,-0.2 0.633 134.0 38.2-120.0 -32.5 11.7 47.8 11.2 87 92 A I H < S- 0 0 3 -4,-2.5 -3,-0.2 1,-0.2 404,-0.2 0.681 99.5-138.4 -96.0 -15.0 14.7 46.9 13.4 88 93 A G < - 0 0 3 -4,-1.5 2,-0.5 -5,-0.3 -1,-0.2 -0.260 30.4 -57.2 85.3-179.8 17.4 48.4 11.1 89 94 A D + 0 0 18 400,-0.4 2,-0.4 -52,-0.1 400,-0.3 -0.876 49.2 176.1-104.8 129.7 20.8 47.1 10.1 90 95 A M - 0 0 10 -2,-0.5 398,-0.1 398,-0.1 397,-0.1 -1.000 34.0-113.1-132.0 130.8 23.4 46.2 12.7 91 96 A I > - 0 0 10 -2,-0.4 3,-1.5 395,-0.2 4,-0.3 -0.295 31.7-111.5 -63.2 149.2 26.8 44.7 11.9 92 97 A S G > S+ 0 0 71 1,-0.3 3,-2.0 2,-0.2 4,-0.5 0.815 109.7 66.2 -55.3 -39.4 27.3 41.1 13.2 93 98 A P G > S+ 0 0 28 0, 0.0 3,-0.7 0, 0.0 -1,-0.3 0.830 98.8 54.3 -54.8 -31.0 29.9 41.9 15.8 94 99 A F G X> S+ 0 0 0 -3,-1.5 3,-1.3 1,-0.2 4,-1.2 0.558 85.1 83.1 -82.3 -4.2 27.4 43.9 17.8 95 100 A K G <4 S+ 0 0 50 -3,-2.0 4,-0.5 -4,-0.3 -1,-0.2 0.838 90.7 51.3 -66.5 -30.7 24.9 41.0 18.0 96 101 A S G <4 S+ 0 0 118 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.433 114.7 44.6 -82.4 -0.1 26.9 39.6 21.0 97 102 A V T <4 S+ 0 0 33 -3,-1.3 405,-0.5 2,-0.1 404,-0.3 0.565 97.4 74.7-109.9 -18.9 26.7 43.1 22.7 98 103 A V S < S- 0 0 0 -4,-1.2 401,-3.2 403,-0.2 4,-0.2 0.710 89.6-125.4 -83.5 -26.7 23.0 43.9 22.0 99 104 A G >> - 0 0 27 -4,-0.5 4,-1.4 399,-0.2 3,-0.9 0.066 24.9 -78.0 99.0 155.7 21.1 41.7 24.5 100 105 A G H 3> S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.726 119.6 65.3 -63.3 -28.1 18.3 39.1 24.5 101 106 A G H 3> S+ 0 0 36 396,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.875 103.4 47.6 -61.6 -39.6 15.5 41.6 24.1 102 107 A Y H <> S+ 0 0 5 -3,-0.9 4,-2.6 395,-0.3 -2,-0.2 0.933 110.9 50.4 -66.2 -48.1 16.8 42.6 20.7 103 108 A K H X S+ 0 0 95 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.876 109.2 52.3 -60.0 -39.4 17.1 38.9 19.6 104 109 A T H X S+ 0 0 77 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.916 109.0 49.7 -62.5 -44.0 13.5 38.3 20.8 105 110 A V H X S+ 0 0 8 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.931 109.7 51.9 -57.9 -48.6 12.2 41.2 18.7 106 111 A E H X S+ 0 0 58 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.913 110.7 47.4 -52.8 -48.6 14.1 39.9 15.7 107 112 A K H X S+ 0 0 127 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.872 110.3 51.3 -67.1 -39.0 12.5 36.5 16.0 108 113 A R H X S+ 0 0 122 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.873 110.2 50.5 -63.1 -37.2 9.1 37.9 16.5 109 114 A L H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.886 106.9 54.0 -68.3 -39.1 9.5 40.0 13.3 110 115 A E H X S+ 0 0 39 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.942 110.5 47.6 -56.8 -48.8 10.7 36.9 11.4 111 116 A A H X S+ 0 0 17 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.913 111.1 50.2 -59.8 -44.3 7.5 35.2 12.4 112 117 A A H X S+ 0 0 4 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.943 114.1 44.6 -61.2 -47.0 5.3 38.1 11.5 113 118 A V H X S+ 0 0 2 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.951 116.3 46.1 -62.0 -49.9 6.9 38.4 8.0 114 119 A H H <>S+ 0 0 6 -4,-2.9 5,-2.7 7,-0.3 3,-0.5 0.936 111.9 49.9 -60.0 -49.6 6.7 34.6 7.4 115 120 A L H ><5S+ 0 0 88 -4,-3.0 3,-1.3 1,-0.2 -1,-0.2 0.864 103.8 60.8 -59.4 -35.7 3.2 34.2 8.6 116 121 A R H 3<5S+ 0 0 84 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.909 111.4 39.8 -54.8 -42.5 2.1 37.1 6.4 117 122 A F T 3<5S- 0 0 16 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.225 119.5-104.6-100.0 16.5 3.2 35.2 3.3 118 123 A G T < 5S+ 0 0 59 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.789 76.6 134.6 71.6 27.3 2.1 31.7 4.4 119 124 A L < - 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0 0 1 393,-3.2 4,-1.3 395,-0.1 3,-0.8 -0.318 29.2 -95.5 -92.5 176.5 24.3 43.6 -14.8 301 105 B G H 3> S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.787 118.3 69.1 -64.0 -28.0 21.6 41.0 -14.6 302 106 B G H 3> S+ 0 0 9 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.875 101.0 46.2 -56.7 -40.8 19.0 43.7 -15.1 303 107 B Y H <> S+ 0 0 5 -3,-0.8 4,-2.2 390,-0.7 -1,-0.2 0.901 109.7 53.5 -67.0 -43.6 20.1 44.2 -18.7 304 108 B K H X S+ 0 0 73 -4,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.873 104.1 55.6 -66.1 -35.9 20.2 40.5 -19.4 305 109 B T H X S+ 0 0 70 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.906 108.3 49.5 -59.6 -42.6 16.6 40.1 -18.2 306 110 B V H X S+ 0 0 4 -4,-1.2 4,-2.3 1,-0.2 5,-0.2 0.926 106.6 54.8 -65.3 -47.5 15.4 42.7 -20.7 307 111 B E H X S+ 0 0 57 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.910 109.8 47.2 -49.2 -47.9 17.3 41.1 -23.6 308 112 B K H X S+ 0 0 92 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.875 110.2 51.2 -69.2 -38.5 15.5 37.8 -23.0 309 113 B R H X S+ 0 0 120 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.883 109.6 51.0 -65.0 -38.1 12.1 39.3 -22.7 310 114 B L H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.884 106.9 53.8 -67.5 -38.2 12.6 41.2 -26.0 311 115 B E H X S+ 0 0 20 -4,-2.0 4,-2.9 -5,-0.2 5,-0.2 0.945 109.7 47.9 -58.2 -47.5 13.6 38.1 -27.8 312 116 B A H X S+ 0 0 16 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.918 110.5 51.5 -61.4 -41.9 10.4 36.3 -26.7 313 117 B A H X S+ 0 0 4 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.938 113.9 43.4 -61.6 -46.3 8.3 39.3 -27.7 314 118 B V H X S+ 0 0 2 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.946 116.4 46.7 -64.3 -48.9 9.8 39.3 -31.2 315 119 B H H ><>S+ 0 0 3 -4,-2.9 5,-2.6 7,-0.3 3,-0.5 0.945 111.9 49.9 -60.4 -47.1 9.7 35.6 -31.6 316 120 B L H ><5S+ 0 0 87 -4,-2.9 3,-1.5 1,-0.2 -1,-0.2 0.872 103.7 60.5 -60.9 -37.8 6.1 35.3 -30.4 317 121 B R H 3<5S+ 0 0 84 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.893 111.3 39.9 -53.8 -42.4 5.0 38.0 -32.8 318 122 B F T <<5S- 0 0 17 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.198 118.8-106.0 -99.7 18.6 6.2 35.9 -35.8 319 123 B G T < 5S+ 0 0 60 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.806 76.1 134.4 67.0 29.8 5.0 32.5 -34.5 320 124 B L S - 0 0 65 1,-0.1 4,-3.0 4,-0.0 5,-0.2 -0.261 34.2-107.4 -60.4 157.8 16.8 26.1 -28.4 326 130 B R H > S+ 0 0 179 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.910 121.4 49.3 -52.1 -46.9 20.2 26.0 -26.7 327 131 B E H > S+ 0 0 84 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.905 112.2 45.8 -63.9 -44.9 21.6 24.0 -29.7 328 132 B L H > S+ 0 0 7 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.908 109.3 56.4 -65.5 -42.6 20.2 26.4 -32.3 329 133 B K H X S+ 0 0 73 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.917 105.6 52.5 -52.4 -44.1 21.5 29.4 -30.3 330 134 B D H X S+ 0 0 75 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.909 110.9 45.9 -59.4 -44.1 25.0 27.8 -30.5 331 135 B R H X S+ 0 0 54 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.881 113.5 48.2 -69.3 -39.2 24.8 27.5 -34.3 332 136 B I H X S+ 0 0 2 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.925 110.7 52.3 -65.6 -42.3 23.5 31.1 -34.7 333 137 B K H X S+ 0 0 132 -4,-2.8 4,-2.4 -5,-0.3 -2,-0.2 0.885 106.1 54.3 -61.5 -38.7 26.2 32.3 -32.4 334 138 B K H X S+ 0 0 127 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.908 110.8 45.8 -58.6 -44.2 28.8 30.5 -34.5 335 139 B A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.915 111.5 52.0 -66.0 -41.6 27.5 32.4 -37.6 336 140 B D H X S+ 0 0 31 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.888 108.5 51.7 -59.9 -40.0 27.5 35.7 -35.7 337 141 B T H X S+ 0 0 41 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.857 108.5 50.1 -69.8 -35.7 31.1 35.1 -34.6 338 142 B V H X S+ 0 0 15 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.926 110.6 50.1 -66.1 -44.2 32.2 34.5 -38.2 339 143 B A H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.932 110.0 51.4 -57.0 -46.6 30.4 37.7 -39.3 340 144 B A H X S+ 0 0 4 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.894 105.4 55.7 -58.5 -40.9 32.2 39.5 -36.5 341 145 B F H X S+ 0 0 19 -4,-2.0 4,-1.8 1,-0.2 5,-0.2 0.942 112.3 41.8 -57.9 -49.6 35.6 38.2 -37.7 342 146 B F H X S+ 0 0 24 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.878 116.4 47.7 -67.7 -38.9 35.1 39.6 -41.2 343 147 B E H X>S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 5,-2.0 0.914 110.3 54.0 -65.0 -41.8 33.6 42.9 -40.0 344 148 B A H <5S+ 0 0 0 -4,-3.1 6,-2.5 -5,-0.2 -2,-0.2 0.897 117.7 33.9 -58.3 -46.0 36.4 43.3 -37.4 345 149 B T H <5S+ 0 0 27 -4,-1.8 4,-0.2 -5,-0.2 -1,-0.2 0.889 125.7 38.7 -81.0 -43.2 39.2 42.9 -40.0 346 150 B E H <5S+ 0 0 89 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.827 136.1 9.2 -78.0 -33.1 37.6 44.5 -43.0 347 151 B L T <5S+ 0 0 5 -4,-2.5 -102,-2.4 -5,-0.3 -3,-0.2 0.764 120.0 53.8-116.1 -39.9 35.8 47.4 -41.3 348 152 B A S - 0 0 51 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.344 29.9-104.7 -72.1 164.1 44.5 43.0 -37.2 352 156 B T H > S+ 0 0 112 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.894 124.7 51.7 -53.2 -40.6 44.2 39.3 -38.3 353 157 B A H > S+ 0 0 63 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.898 110.4 46.5 -67.1 -43.5 45.8 38.4 -35.0 354 158 B E H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.925 114.2 47.5 -62.0 -47.0 43.3 40.5 -32.9 355 159 B A H X>S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.7 0.906 111.9 50.6 -64.7 -41.4 40.3 39.1 -34.9 356 160 B Q H X5S+ 0 0 104 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.921 111.0 48.7 -61.1 -44.2 41.6 35.5 -34.5 357 161 B K H <5S+ 0 0 155 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.914 121.5 33.4 -62.9 -42.3 42.0 35.9 -30.7 358 162 B F H <5S+ 0 0 36 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.800 136.8 16.5 -87.8 -30.8 38.6 37.4 -30.2 359 163 B F H <5S- 0 0 31 -4,-2.8 -3,-0.2 -5,-0.2 -18,-0.2 0.515 99.6-121.6-121.6 -10.6 36.4 35.6 -32.8 360 164 B G << - 0 0 33 -4,-1.6 -3,-0.1 -5,-0.7 -2,-0.1 0.103 39.5 -68.4 78.3 158.7 38.5 32.6 -33.9 361 165 B L - 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0 0 3 -4,-1.6 2,-0.5 -5,-0.3 -1,-0.2 -0.197 30.8 -59.0 85.4 178.4 24.9 52.0 12.7 489 94 C D + 0 0 15 -400,-0.3 2,-0.4 -52,-0.1 -400,-0.4 -0.879 49.6 176.3-102.4 129.9 21.5 53.7 13.0 490 95 C M - 0 0 10 -2,-0.5 -402,-0.1 -402,-0.1 5,-0.1 -1.000 33.4-113.6-131.6 130.9 18.9 52.3 15.4 491 96 C I >> - 0 0 8 -2,-0.4 3,-1.6 -405,-0.2 4,-1.0 -0.316 32.6-109.6 -63.4 150.4 15.5 54.0 16.0 492 97 C S H >> S+ 0 0 61 1,-0.3 4,-0.9 2,-0.2 3,-0.6 0.811 111.7 63.6 -55.2 -41.1 15.0 55.4 19.5 493 98 C P H 34 S+ 0 0 22 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.826 105.4 46.9 -54.0 -32.0 12.4 52.8 20.6 494 99 C F H X> S+ 0 0 0 -3,-1.6 4,-2.1 1,-0.2 3,-1.7 0.741 95.5 73.1 -84.9 -20.9 15.0 50.0 20.3 495 100 C K H << S+ 0 0 64 -4,-1.0 -1,-0.2 -3,-0.6 -3,-0.1 0.806 97.7 51.4 -57.0 -30.0 17.7 52.0 22.2 496 101 C S T 3< S+ 0 0 104 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.534 111.4 48.5 -80.2 -10.8 15.6 51.3 25.3 497 102 C V T <4 S+ 0 0 40 -3,-1.7 -396,-0.3 -4,-0.1 -395,-0.3 0.753 90.9 92.4 -98.6 -34.4 15.6 47.6 24.4 498 103 C V S < S- 0 0 6 -4,-2.1 -399,-0.2 -397,-0.1 -400,-0.1 -0.185 80.9 -99.1 -64.9 156.6 19.3 47.0 23.7 499 104 C G >> - 0 0 22 -401,-3.2 4,-1.2 -402,-0.1 3,-1.2 -0.094 31.9-104.7 -74.2-179.9 21.8 45.8 26.4 500 105 C G T 34 S+ 0 0 47 1,-0.4 -402,-0.1 2,-0.2 -2,-0.0 0.623 116.3 69.2 -80.0 -33.2 24.2 48.0 28.3 501 106 C G T 3> S+ 0 0 27 2,-0.3 4,-1.3 -404,-0.3 -1,-0.4 0.317 91.6 48.1 105.5-102.7 26.4 46.9 26.6 502 107 C Y H <> S+ 0 0 4 -3,-1.2 4,-2.2 -405,-0.5 -2,-0.2 0.881 111.8 56.0 -64.9 -41.4 25.6 48.5 23.3 503 108 C K H X S+ 0 0 80 -4,-1.2 4,-1.9 1,-0.2 -2,-0.3 0.827 102.5 55.0 -64.5 -33.4 25.2 51.7 25.2 504 109 C T H > S+ 0 0 58 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 108.2 48.6 -63.5 -46.3 28.8 51.4 26.6 505 110 C V H X S+ 0 0 3 -4,-1.3 4,-2.6 2,-0.2 5,-0.2 0.914 109.0 53.1 -59.7 -46.2 30.2 51.1 23.0 506 111 C E H X S+ 0 0 49 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.920 109.8 48.0 -57.5 -44.0 28.2 54.1 21.9 507 112 C K H X S+ 0 0 139 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.883 111.2 50.5 -65.2 -40.6 29.7 56.2 24.8 508 113 C R H X S+ 0 0 118 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.897 109.6 50.9 -64.8 -40.2 33.2 55.1 24.0 509 114 C L H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.894 107.3 53.8 -64.7 -40.2 32.8 56.0 20.4 510 115 C E H X S+ 0 0 40 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.943 110.4 46.7 -56.6 -46.8 31.6 59.4 21.3 511 116 C A H X S+ 0 0 17 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.903 111.8 50.8 -62.9 -41.9 34.7 60.0 23.4 512 117 C A H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.934 112.9 45.0 -64.0 -46.8 37.0 58.7 20.7 513 118 C V H X S+ 0 0 2 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.939 116.4 46.6 -61.5 -47.7 35.4 61.0 18.1 514 119 C H H ><>S+ 0 0 6 -4,-2.8 5,-2.7 7,-0.3 3,-0.6 0.946 112.5 48.8 -60.3 -47.1 35.5 64.0 20.5 515 120 C L H ><5S+ 0 0 88 -4,-3.1 3,-1.5 1,-0.3 -1,-0.2 0.863 103.6 61.6 -64.6 -36.1 39.1 63.4 21.6 516 121 C R H 3<5S+ 0 0 82 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.905 111.0 39.5 -51.5 -43.5 40.2 63.0 18.0 517 122 C F T <<5S- 0 0 17 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.186 119.5-104.3 -99.7 17.5 39.1 66.6 17.3 518 123 C G T < 5S+ 0 0 58 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.768 76.8 135.1 70.6 25.8 40.3 68.1 20.6 519 124 C L < - 0 0 5 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.662 69.0 -81.2-100.5 161.0 36.8 68.3 22.1 520 125 C P - 0 0 58 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.364 44.5-117.2 -58.1 139.9 35.7 67.3 25.6 521 126 C P S S+ 0 0 57 0, 0.0 2,-0.3 0, 0.0 -7,-0.3 0.838 97.7 15.0 -49.9 -36.7 35.2 63.5 25.6 522 127 C H S S- 0 0 87 -8,-0.1 3,-0.1 -11,-0.1 -46,-0.0 -0.996 85.5-110.5-137.5 145.8 31.6 64.1 26.5 523 128 C A - 0 0 26 -2,-0.3 -50,-0.0 1,-0.1 -4,-0.0 -0.349 44.1-100.9 -62.2 149.8 29.3 67.1 26.3 524 129 C S > - 0 0 68 1,-0.1 4,-3.1 4,-0.0 5,-0.2 -0.284 36.0-106.2 -60.2 160.3 28.1 68.6 29.6 525 130 C R H > S+ 0 0 172 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.912 122.3 52.7 -57.8 -40.4 24.6 67.5 30.6 526 131 C E H > S+ 0 0 97 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.925 112.0 44.0 -63.4 -42.7 23.4 71.1 29.8 527 132 C L H > S+ 0 0 5 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.920 110.5 55.1 -69.7 -42.6 24.9 70.9 26.3 528 133 C K H X S+ 0 0 89 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.908 107.0 52.6 -51.4 -44.5 23.6 67.4 25.8 529 134 C D H X S+ 0 0 72 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.913 109.7 47.3 -59.6 -44.5 20.2 68.8 26.6 530 135 C R H X S+ 0 0 70 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.913 114.7 45.5 -63.6 -45.2 20.5 71.5 24.0 531 136 C I H X S+ 0 0 2 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.915 111.7 52.4 -67.0 -41.5 21.7 69.1 21.3 532 137 C K H X S+ 0 0 100 -4,-2.8 4,-2.5 -5,-0.3 -1,-0.2 0.880 108.0 52.1 -61.4 -38.7 19.0 66.6 22.1 533 138 C K H X S+ 0 0 80 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.920 110.5 47.4 -64.2 -42.7 16.4 69.3 21.8 534 139 C A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.913 111.7 51.8 -62.5 -40.4 17.7 70.2 18.4 535 140 C D H X S+ 0 0 16 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.916 110.0 48.2 -61.2 -43.9 17.7 66.5 17.5 536 141 C T H X S+ 0 0 31 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.854 110.1 51.6 -68.0 -37.3 14.1 66.1 18.6 537 142 C V H X S+ 0 0 6 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.934 110.7 48.4 -63.2 -47.0 13.0 69.1 16.6 538 143 C A H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.927 110.3 53.1 -55.3 -45.1 14.7 67.7 13.5 539 144 C A H X S+ 0 0 3 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.884 103.9 56.2 -59.7 -41.1 13.0 64.4 14.2 540 145 C F H X S+ 0 0 14 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.940 112.6 40.7 -55.1 -49.4 9.6 66.1 14.3 541 146 C F H X S+ 0 0 18 -4,-1.8 4,-2.8 2,-0.2 5,-0.4 0.892 116.4 48.5 -71.3 -39.1 10.1 67.6 10.8 542 147 C E H X>S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-1.8 0.923 110.2 53.2 -63.0 -44.0 11.6 64.5 9.3 543 148 C A H <5S+ 0 0 0 -4,-3.0 6,-2.3 -5,-0.2 -2,-0.2 0.895 119.1 33.5 -59.7 -41.0 8.8 62.3 10.8 544 149 C T H <5S+ 0 0 25 -4,-1.7 4,-0.2 -5,-0.2 -2,-0.2 0.870 125.3 39.0 -85.5 -39.8 6.1 64.4 9.3 545 150 C E H <5S+ 0 0 63 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.822 135.6 9.8 -80.8 -32.7 7.7 65.5 6.0 546 151 C L T <5S+ 0 0 9 -4,-2.4 -102,-2.6 -5,-0.4 -3,-0.2 0.762 120.2 52.2-118.4 -37.8 9.5 62.3 5.1 547 152 C A S - 0 0 51 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.380 27.2-108.3 -71.7 164.1 0.9 62.5 11.2 551 156 C T H > S+ 0 0 102 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.862 123.1 54.4 -60.3 -34.0 1.3 65.8 13.1 552 157 C A H > S+ 0 0 66 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.914 110.0 45.5 -66.5 -42.2 -0.5 64.1 16.0 553 158 C E H > S+ 0 0 18 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.946 114.5 47.7 -63.6 -48.8 2.0 61.2 16.0 554 159 C A H X>S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.8 0.889 110.6 51.5 -64.6 -38.1 5.0 63.5 15.7 555 160 C Q H X5S+ 0 0 103 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.923 111.6 48.1 -63.5 -42.9 3.7 65.8 18.5 556 161 C K H <5S+ 0 0 128 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.923 121.8 33.2 -61.1 -45.9 3.2 62.8 20.8 557 162 C F H <5S+ 0 0 35 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.835 137.8 15.4 -84.3 -34.4 6.6 61.3 20.2 558 163 C F H <5S- 0 0 39 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.591 99.7-121.2-118.7 -16.4 8.8 64.4 19.6 559 164 C G << - 0 0 32 -4,-1.3 -3,-0.1 -5,-0.8 -1,-0.1 0.032 39.2 -67.1 83.0 158.2 6.8 67.4 20.9 560 165 C L - 0 0 111 -5,-0.1 -23,-0.1 1,-0.1 2,-0.0 -0.718 60.6-106.5 -83.0 125.3 5.7 70.5 19.0 561 166 C P - 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0 0 52 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.341 27.5-107.3 -73.6 167.5 3.8 63.5 -29.4 746 156 D T H > S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.847 123.2 53.7 -62.2 -34.5 4.2 66.8 -27.7 747 157 D A H > S+ 0 0 65 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.899 110.2 45.9 -67.4 -42.2 2.4 65.4 -24.7 748 158 D E H > S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.955 114.3 47.8 -62.9 -50.0 4.9 62.5 -24.5 749 159 D A H X>S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.6 0.875 111.4 50.9 -63.1 -37.8 7.9 64.8 -24.9 750 160 D Q H X5S+ 0 0 99 -4,-2.4 4,-1.6 3,-0.2 -1,-0.2 0.918 111.7 47.9 -64.0 -43.0 6.5 67.2 -22.3 751 161 D K H <5S+ 0 0 133 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.921 121.9 33.7 -64.5 -43.6 6.1 64.3 -19.8 752 162 D F H <5S+ 0 0 33 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.835 138.0 14.4 -83.4 -33.6 9.5 62.8 -20.4 753 163 D F H <5S- 0 0 45 -4,-2.8 -3,-0.2 -5,-0.3 -18,-0.2 0.498 98.6-121.3-123.0 -9.2 11.6 65.9 -21.1 754 164 D G << - 0 0 26 -4,-1.6 -3,-0.1 -5,-0.6 -2,-0.1 0.151 39.2 -68.6 76.9 156.0 9.6 69.0 -20.0 755 165 D L - 0 0 88 -5,-0.1 2,-0.2 -4,-0.0 -23,-0.1 -0.683 67.4 -91.3 -78.0 132.7 8.6 71.9 -22.2 756 166 D P - 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0 0 12 0, 0.0 -126,-0.2 0, 0.0 -124,-0.1 -0.306 38.9-143.8 -63.2 129.4 19.5 64.1 -39.8 769 179 D L - 0 0 42 1,-0.1 -124,-0.3 -2,-0.1 -121,-0.1 -0.610 21.3-103.7 -87.3 146.6 22.9 64.6 -41.5 770 180 D P >> - 0 0 45 0, 0.0 4,-2.4 0, 0.0 3,-0.7 -0.304 40.6-105.8 -60.2 151.6 24.9 61.8 -43.3 771 181 D S H 3> S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.865 118.0 54.0 -50.8 -45.6 27.8 60.5 -41.2 772 182 D T H 3> S+ 0 0 63 -525,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.861 112.6 44.3 -63.8 -32.5 30.5 62.2 -43.2 773 183 D E H <> S+ 0 0 64 -3,-0.7 4,-2.6 2,-0.2 5,-0.3 0.889 111.9 50.7 -79.7 -39.7 28.9 65.6 -42.7 774 184 D A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.920 113.0 48.9 -58.3 -42.3 28.1 65.1 -39.0 775 185 D Q H X S+ 0 0 38 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.944 111.8 48.0 -61.3 -49.0 31.8 64.2 -38.6 776 186 D R H X S+ 0 0 141 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.917 114.9 44.3 -59.9 -47.7 33.0 67.2 -40.5 777 187 D L H X S+ 0 0 57 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.864 111.8 53.0 -68.9 -37.3 30.8 69.7 -38.6 778 188 D F H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.943 111.3 45.5 -62.3 -48.4 31.6 68.1 -35.2 779 189 D I H X S+ 0 0 39 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.927 112.2 52.9 -61.7 -42.0 35.4 68.4 -35.8 780 190 D A H X S+ 0 0 46 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.910 110.7 45.9 -62.1 -42.9 35.0 72.0 -37.1 781 191 D R H X S+ 0 0 68 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.929 112.1 51.0 -66.8 -44.6 33.1 73.0 -33.9 782 192 D F H X S+ 0 0 14 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.944 112.0 47.5 -54.1 -48.2 35.6 71.3 -31.7 783 193 D E H X S+ 0 0 112 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.851 110.3 52.4 -64.4 -36.2 38.4 73.1 -33.4 784 194 D A H X S+ 0 0 42 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.938 111.4 46.1 -64.6 -44.8 36.6 76.4 -33.2 785 195 D I H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.924 109.8 54.7 -66.4 -40.7 36.1 76.0 -29.5 786 196 D E H X S+ 0 0 46 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.874 105.7 52.9 -56.7 -38.6 39.8 74.9 -29.1 787 197 D T H X S+ 0 0 89 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.882 110.4 47.5 -67.2 -36.9 40.9 78.1 -30.8 788 198 D L H X S+ 0 0 77 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.811 108.8 55.3 -70.7 -31.6 38.8 80.1 -28.3 789 199 D R H X S+ 0 0 27 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.921 112.4 40.9 -67.7 -44.2 40.2 78.2 -25.3 790 200 D V H X S+ 0 0 99 -4,-1.9 4,-3.9 2,-0.2 -2,-0.2 0.946 114.4 49.8 -65.9 -57.5 43.8 79.0 -26.2 791 201 D T H < S+ 0 0 86 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.869 110.0 51.2 -52.9 -43.9 43.4 82.5 -27.1 792 202 D R H < S+ 0 0 173 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.944 116.4 41.4 -59.6 -49.0 41.4 83.3 -24.0 793 203 D T H < 0 0 121 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.954 360.0 360.0 -62.1 -53.9 44.2 81.7 -21.9 794 204 D G < 0 0 98 -4,-3.9 -3,-0.2 -5,-0.1 -2,-0.1 0.878 360.0 360.0 -78.2 360.0 47.1 83.2 -23.9