==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-APR-11 3RM5 . COMPND 2 MOLECULE: HYDROXYMETHYLPYRIMIDINE/PHOSPHOMETHYLPYRIMIDINE K . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR J.B.FRENCH,T.P.BEGLEY,S.E.EALICK . 1040 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41063.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 771 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 2 0.2 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 . 58 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 466 44.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 3 4 6 1 0 2 0 0 6 2 3 0 3 0 2 0 1 1 0 0 0 2 2 0 0 RESIDUES PER ALPHA HELIX . 8 2 0 4 2 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 PARALLEL BRIDGES PER LADDER . 4 1 0 0 2 2 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 . 1 0 0 0 0 0 0 0 1 1 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 2 A T 0 0 101 0, 0.0 732,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 110.1 6.0 -2.8 46.9 2 3 A Y E -a 733 0A 156 730,-0.2 2,-0.4 732,-0.0 732,-0.2 -0.996 360.0-160.5-144.2 144.3 2.3 -2.0 47.1 3 4 A S E -a 734 0A 52 730,-1.8 732,-3.6 -2,-0.3 2,-0.5 -0.963 15.1-136.0-126.0 143.4 0.1 1.0 46.6 4 5 A T E -a 735 0A 104 -2,-0.4 2,-0.4 730,-0.2 732,-0.2 -0.878 19.9-175.2-101.7 126.2 -3.5 1.7 47.8 5 6 A V E -a 736 0A 13 730,-3.3 732,-2.4 -2,-0.5 2,-0.4 -0.986 16.9-140.0-121.7 125.9 -5.9 3.3 45.3 6 7 A S E -a 737 0A 65 290,-0.5 2,-0.5 -2,-0.4 732,-0.2 -0.688 12.2-133.8 -87.8 133.4 -9.5 4.2 46.4 7 8 A I - 0 0 4 730,-3.1 289,-0.1 -2,-0.4 288,-0.0 -0.771 26.9-124.9 -86.5 127.8 -12.4 3.6 44.1 8 9 A N - 0 0 13 -2,-0.5 731,-0.1 287,-0.1 287,-0.1 -0.302 20.2-110.0 -71.0 151.8 -14.7 6.7 43.8 9 10 A T - 0 0 66 1,-0.1 -1,-0.1 285,-0.1 771,-0.1 -0.362 49.5 -81.9 -70.0 159.4 -18.5 6.6 44.5 10 11 A P - 0 0 17 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.291 60.4 -80.6 -62.9 151.6 -20.9 7.0 41.6 11 12 A P >> - 0 0 15 0, 0.0 3,-1.7 0, 0.0 4,-0.9 -0.394 44.1-126.6 -58.6 120.3 -21.6 10.6 40.4 12 13 A P T 34 S+ 0 0 18 0, 0.0 4,-0.3 0, 0.0 3,-0.3 0.706 104.9 50.3 -41.2 -43.6 -24.3 12.0 42.8 13 14 A Y T >4 S+ 0 0 49 1,-0.2 3,-0.9 2,-0.2 4,-0.1 0.811 105.7 56.4 -69.5 -32.8 -26.8 13.0 40.1 14 15 A L G X4 S+ 0 0 20 -3,-1.7 3,-1.4 1,-0.2 -1,-0.2 0.750 94.5 67.6 -71.9 -23.7 -26.7 9.7 38.3 15 16 A T G >< S+ 0 0 34 -4,-0.9 3,-1.8 -3,-0.3 -1,-0.2 0.689 78.8 81.1 -68.3 -19.8 -27.7 7.9 41.6 16 17 A L G < S+ 0 0 38 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.1 0.671 88.4 56.8 -59.4 -17.3 -31.1 9.5 41.3 17 18 A A G X S+ 0 0 28 -3,-1.4 3,-1.1 -4,-0.1 -1,-0.3 -0.028 78.3 148.2-102.4 28.3 -31.9 6.8 38.9 18 19 A C T < S+ 0 0 72 -3,-1.8 767,-0.2 1,-0.3 768,-0.1 -0.435 70.7 15.2 -71.8 140.3 -31.1 4.0 41.3 19 20 A N T 3 S- 0 0 100 765,-1.9 767,-0.3 766,-0.5 -1,-0.3 0.834 95.2-161.0 58.2 38.4 -33.2 0.8 40.9 20 21 A E B < -j 786 0B 35 765,-1.5 767,-2.6 -3,-1.1 2,-2.4 -0.236 21.3-134.7 -53.6 123.9 -34.1 2.3 37.5 21 22 A K - 0 0 175 765,-0.2 -1,-0.2 -3,-0.1 767,-0.1 -0.412 38.8-162.4 -76.0 61.9 -37.3 0.7 36.0 22 23 A L - 0 0 7 -2,-2.4 2,-0.3 1,-0.1 29,-0.1 -0.110 21.8-108.4 -51.9 138.1 -35.4 0.4 32.7 23 24 A P - 0 0 12 0, 0.0 29,-3.2 0, 0.0 2,-0.4 -0.568 38.7-141.8 -66.2 129.2 -37.5 -0.2 29.5 24 25 A T E -k 52 0C 1 -2,-0.3 70,-1.4 27,-0.2 69,-0.9 -0.802 19.0-174.0-102.6 136.2 -36.8 -3.7 28.4 25 26 A V E -kl 53 94C 0 27,-2.9 29,-1.8 -2,-0.4 2,-0.6 -0.986 8.8-159.3-130.5 122.8 -36.5 -4.9 24.8 26 27 A L E -kl 54 95C 0 68,-2.5 70,-2.4 -2,-0.4 2,-0.5 -0.896 10.7-156.9 -99.2 116.8 -36.2 -8.5 23.7 27 28 A S E -kl 55 96C 0 27,-3.0 29,-1.2 -2,-0.6 2,-0.6 -0.830 7.2-166.7 -94.2 128.8 -34.6 -8.9 20.2 28 29 A I E +kl 56 97C 3 68,-2.6 70,-2.9 -2,-0.5 2,-0.3 -0.917 45.3 111.2-112.1 98.2 -35.4 -12.1 18.4 29 30 A A E -k 57 0C 1 27,-0.9 29,-1.6 -2,-0.6 30,-0.5 -0.929 63.7 -88.5-158.2 173.5 -32.8 -12.1 15.5 30 31 A G E -k 59 0C 5 -2,-0.3 9,-2.5 27,-0.2 2,-0.3 -0.479 47.1-100.8 -90.8 168.3 -29.7 -13.6 13.9 31 32 A T B -U 38 0D 3 28,-1.7 30,-0.2 7,-0.2 7,-0.2 -0.643 19.6-169.0 -95.3 145.0 -26.1 -12.6 14.6 32 33 A D > - 0 0 0 5,-0.5 3,-3.2 -2,-0.3 5,-0.2 -0.846 13.5-167.2-121.1 91.2 -23.8 -10.4 12.6 33 34 A P T 3 S+ 0 0 1 0, 0.0 547,-2.3 0, 0.0 31,-0.1 0.760 82.6 69.2 -55.1 -28.7 -20.5 -11.2 14.5 34 35 A S T 3 S- 0 0 0 29,-1.3 30,-0.1 545,-0.2 547,-0.0 0.573 109.2-125.7 -65.3 -10.2 -18.8 -8.2 12.8 35 36 A G S < S+ 0 0 0 -3,-3.2 543,-0.2 2,-0.2 -1,-0.1 0.511 82.7 103.4 83.4 8.4 -21.1 -6.1 15.0 36 37 A G S S+ 0 0 0 -4,-0.1 240,-0.3 239,-0.1 2,-0.2 0.823 86.3 6.7 -91.0 -37.1 -22.7 -4.0 12.3 37 38 A A S >> S+ 0 0 11 -5,-0.2 4,-1.5 191,-0.1 3,-0.6 -0.527 98.2 40.4-127.1-166.1 -26.1 -5.6 11.9 38 39 A G H 3> S-U 31 0D 10 1,-0.2 4,-2.4 2,-0.2 -7,-0.2 -0.041 111.9 -20.9 61.3-156.1 -28.3 -8.3 13.6 39 40 A I H 3> S+ 0 0 7 -9,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.729 134.9 56.2 -63.6 -26.8 -28.6 -9.0 17.3 40 41 A E H <> S+ 0 0 4 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.932 109.4 45.5 -72.1 -45.4 -25.4 -7.2 18.2 41 42 A A H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 5,-0.3 0.913 111.8 54.8 -57.2 -44.5 -26.5 -4.0 16.5 42 43 A D H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.952 111.9 41.8 -52.4 -54.3 -29.9 -4.5 18.2 43 44 A V H X S+ 0 0 3 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.866 113.3 55.5 -63.5 -38.0 -28.2 -4.7 21.6 44 45 A K H X S+ 0 0 5 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.946 113.2 39.2 -57.9 -49.8 -25.9 -1.8 20.7 45 46 A T H X S+ 0 0 0 -4,-2.9 4,-0.8 2,-0.2 -2,-0.2 0.857 114.1 53.1 -75.4 -36.1 -28.8 0.5 19.8 46 47 A I H ><>S+ 0 0 0 -4,-2.6 5,-2.0 -5,-0.3 3,-0.5 0.928 113.2 45.4 -60.0 -46.0 -31.0 -0.6 22.8 47 48 A T H ><5S+ 0 0 4 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.908 109.9 54.0 -61.5 -44.9 -28.0 0.1 25.1 48 49 A A H 3<5S+ 0 0 8 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.662 106.0 55.2 -65.2 -16.0 -27.5 3.5 23.3 49 50 A H T <<5S- 0 0 1 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.240 118.9-111.1 -98.4 11.2 -31.1 4.2 24.0 50 51 A R T < 5S+ 0 0 25 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.897 77.1 129.7 56.9 44.6 -30.7 3.6 27.8 51 52 A C < - 0 0 3 -5,-2.0 2,-0.8 -29,-0.1 -1,-0.2 -0.854 65.7-103.6-125.2 160.9 -32.8 0.5 27.6 52 53 A Y E -k 24 0C 4 -29,-3.2 -27,-2.9 -2,-0.3 2,-0.2 -0.765 36.7-149.9 -91.6 110.8 -32.3 -3.1 28.8 53 54 A A E +k 25 0C 0 -2,-0.8 2,-0.3 -29,-0.2 -27,-0.2 -0.493 16.3 179.8 -80.5 144.3 -31.4 -5.5 26.0 54 55 A M E -k 26 0C 0 -29,-1.8 -27,-3.0 -2,-0.2 2,-0.3 -0.975 13.2-145.7-137.7 152.2 -32.3 -9.1 25.8 55 56 A T E +k 27 0C 3 503,-2.1 2,-0.2 -2,-0.3 -27,-0.2 -0.854 24.2 177.9-124.0 154.7 -31.6 -11.7 23.1 56 57 A C E -k 28 0C 0 -29,-1.2 -27,-0.9 -2,-0.3 2,-0.4 -0.705 26.4-150.5-147.9 95.7 -33.0 -14.8 21.4 57 58 A I E +k 29 0C 11 -2,-0.2 -27,-0.2 -29,-0.2 3,-0.1 -0.542 20.5 175.1 -76.8 121.9 -30.7 -15.9 18.7 58 59 A T E S+ 0 0 0 -29,-1.6 16,-2.1 -2,-0.4 2,-0.3 0.623 72.2 22.7 -99.4 -20.4 -32.5 -17.7 15.8 59 60 A A E -kM 30 73C 0 -30,-0.5 -28,-1.7 14,-0.3 2,-0.8 -0.978 62.8-146.9-149.6 135.8 -29.4 -18.1 13.6 60 61 A L E + M 0 72C 13 12,-3.2 12,-0.5 -2,-0.3 2,-0.2 -0.862 36.9 177.3-103.0 97.9 -25.7 -18.2 14.4 61 62 A N E - M 0 71C 6 -2,-0.8 2,-0.6 -30,-0.2 10,-0.2 -0.610 35.4-135.7-104.2 159.2 -24.1 -16.7 11.3 62 63 A A E + M 0 70C 0 8,-2.4 7,-2.4 -2,-0.2 8,-1.4 -0.969 47.3 155.9-108.9 111.2 -20.6 -15.8 10.1 63 64 A Q E + M 0 68C 39 -2,-0.6 -29,-1.3 5,-0.2 5,-0.2 -0.998 23.2 169.8-144.6 139.4 -21.0 -12.3 8.6 64 65 A T - 0 0 1 3,-1.8 3,-0.2 -2,-0.4 547,-0.1 -0.845 56.5 -92.0-129.7 172.6 -19.0 -9.2 7.8 65 66 A P S S+ 0 0 15 0, 0.0 3,-0.1 0, 0.0 209,-0.1 0.569 123.5 64.2 -59.1 -7.7 -19.8 -6.1 5.8 66 67 A V S S- 0 0 79 1,-0.3 2,-0.3 207,-0.0 -3,-0.0 0.948 118.5 -48.6 -79.4 -55.9 -18.2 -8.0 2.9 67 68 A K - 0 0 71 -3,-0.2 -3,-1.8 -5,-0.0 2,-0.8 -0.971 58.8 -78.8-166.8 172.7 -20.7 -10.9 2.6 68 69 A V E -M 63 0C 73 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.821 40.3-173.6 -86.5 110.9 -22.6 -13.6 4.5 69 70 A Y E - 0 0 74 -7,-2.4 2,-0.3 -2,-0.8 -6,-0.2 0.903 62.6 -13.9 -75.9 -44.8 -20.0 -16.4 5.1 70 71 A S E -M 62 0C 23 -8,-1.4 -8,-2.4 533,-0.0 2,-0.5 -0.978 53.7-144.7-158.3 152.0 -22.2 -19.0 6.6 71 72 A I E -M 61 0C 100 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.980 15.2-179.3-120.1 123.6 -25.7 -19.5 8.0 72 73 A N E -M 60 0C 58 -12,-0.5 -12,-3.2 -2,-0.5 2,-0.0 -0.897 19.3-143.5-127.1 103.9 -26.4 -21.9 10.9 73 74 A N E -M 59 0C 104 -2,-0.5 -14,-0.3 -14,-0.2 -15,-0.1 -0.331 19.4-122.4 -63.0 139.8 -30.0 -22.2 12.1 74 75 A T - 0 0 8 -16,-2.1 29,-0.1 1,-0.1 -1,-0.1 -0.643 35.3 -94.7 -85.3 142.1 -30.5 -22.7 15.8 75 76 A P >> - 0 0 63 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.277 27.6-124.8 -58.2 138.0 -32.4 -25.7 17.0 76 77 A K H 3> S+ 0 0 47 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.822 112.0 57.6 -51.1 -37.0 -36.1 -25.1 17.7 77 78 A E H 3> S+ 0 0 121 2,-0.2 4,-3.0 1,-0.2 -1,-0.3 0.901 105.4 49.2 -60.3 -45.9 -35.7 -26.4 21.2 78 79 A V H <> S+ 0 0 2 -3,-0.7 4,-3.0 2,-0.2 -2,-0.2 0.918 112.0 47.6 -61.4 -47.6 -33.0 -23.8 22.0 79 80 A V H X S+ 0 0 3 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.911 113.4 49.2 -61.0 -44.5 -35.2 -21.0 20.6 80 81 A F H X S+ 0 0 107 -4,-2.6 4,-3.2 -5,-0.2 5,-0.2 0.945 113.5 46.0 -57.5 -51.2 -38.1 -22.3 22.7 81 82 A Q H X S+ 0 0 66 -4,-3.0 4,-2.2 2,-0.2 5,-0.3 0.894 114.1 47.9 -61.8 -43.4 -36.0 -22.6 25.8 82 83 A T H X S+ 0 0 4 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.964 117.6 41.7 -61.1 -52.4 -34.5 -19.1 25.3 83 84 A L H X S+ 0 0 2 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.911 116.2 48.8 -59.7 -47.7 -37.9 -17.5 24.7 84 85 A E H X S+ 0 0 48 -4,-3.2 4,-1.1 -5,-0.2 -1,-0.2 0.904 114.8 42.3 -64.4 -46.9 -39.7 -19.5 27.5 85 86 A S H X S+ 0 0 2 -4,-2.2 4,-1.2 -5,-0.2 5,-0.3 0.856 111.7 55.4 -71.1 -37.7 -37.2 -18.8 30.2 86 87 A N H >X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.3 3,-0.5 0.948 112.3 40.6 -58.1 -53.3 -36.7 -15.1 29.3 87 88 A L H 3< S+ 0 0 16 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.714 109.3 62.4 -71.2 -22.9 -40.4 -14.2 29.5 88 89 A K H 3< S+ 0 0 108 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.833 123.3 14.0 -69.4 -34.9 -40.8 -16.3 32.7 89 90 A D H << S+ 0 0 9 -4,-1.2 701,-3.6 -3,-0.5 2,-0.3 0.618 114.4 72.4-120.7 -23.6 -38.4 -14.3 34.8 90 91 A M B < S-V 789 0E 2 -4,-2.6 2,-0.3 -5,-0.3 699,-0.2 -0.785 76.4-120.9-101.2 143.1 -37.7 -11.0 33.0 91 92 A K - 0 0 38 697,-2.3 2,-0.4 -2,-0.3 -3,-0.1 -0.603 32.6-166.8 -71.7 138.4 -40.0 -8.1 32.5 92 93 A C + 0 0 29 -2,-0.3 -67,-0.1 1,-0.1 3,-0.1 -0.953 23.7 169.9-138.1 117.2 -40.6 -7.4 28.8 93 94 A N S S+ 0 0 76 -69,-0.9 28,-2.1 -2,-0.4 2,-0.3 0.858 72.6 12.9 -86.5 -43.6 -42.1 -4.3 27.4 94 95 A V E -ln 25 121C 0 -70,-1.4 -68,-2.5 26,-0.2 2,-0.4 -0.995 55.6-155.1-142.0 139.3 -41.4 -4.8 23.7 95 96 A I E -ln 26 122C 5 26,-3.4 28,-2.5 -2,-0.3 2,-0.4 -0.960 13.5-170.0-107.5 133.4 -40.2 -7.6 21.4 96 97 A K E -ln 27 123C 0 -70,-2.4 -68,-2.6 -2,-0.4 2,-0.4 -0.970 9.8-149.3-117.7 144.1 -38.5 -6.7 18.1 97 98 A T E +ln 28 124C 0 26,-2.3 28,-1.7 -2,-0.4 -68,-0.2 -0.879 22.7 161.2-114.8 144.3 -37.8 -9.3 15.4 98 99 A G + 0 0 6 -70,-2.9 29,-0.5 -2,-0.4 2,-0.4 0.155 65.8 9.2-119.2-119.2 -35.0 -9.5 12.9 99 100 A M S S- 0 0 52 -69,-0.2 2,-0.4 27,-0.1 -1,-0.4 -0.566 74.7-171.8 -68.7 122.5 -33.9 -12.6 11.0 100 101 A L - 0 0 23 -2,-0.4 2,-0.2 27,-0.3 37,-0.1 -0.962 11.6-152.6-122.9 136.5 -36.5 -15.4 11.7 101 102 A T > - 0 0 13 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.588 35.2-106.9 -97.0 165.5 -36.4 -19.0 10.8 102 103 A A H > S+ 0 0 66 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.856 125.6 50.7 -55.2 -36.7 -39.4 -21.3 10.2 103 104 A A H > S+ 0 0 34 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.902 110.7 47.2 -66.8 -44.5 -38.5 -22.8 13.6 104 105 A A H > S+ 0 0 2 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.921 110.7 51.4 -64.8 -46.9 -38.4 -19.4 15.3 105 106 A I H X S+ 0 0 1 -4,-2.9 4,-3.2 1,-0.2 5,-0.2 0.921 108.7 52.0 -54.6 -49.3 -41.7 -18.3 13.8 106 107 A E H X S+ 0 0 63 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.912 114.6 41.9 -55.3 -48.4 -43.4 -21.5 15.0 107 108 A V H X S+ 0 0 21 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.958 116.6 47.4 -63.1 -53.6 -42.2 -20.9 18.6 108 109 A L H X S+ 0 0 4 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.871 110.5 52.2 -59.0 -42.1 -42.9 -17.2 18.6 109 110 A H H X S+ 0 0 37 -4,-3.2 4,-1.9 -5,-0.2 -1,-0.2 0.942 109.0 49.9 -58.8 -50.7 -46.4 -17.6 17.2 110 111 A E H X S+ 0 0 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<5S+ 0 0 108 -4,-0.9 -2,-0.2 4,-0.3 -1,-0.2 0.878 123.7 31.9 -79.6 -41.4 -39.3 51.8 20.3 396 423 A E H <5S+ 0 0 154 -4,-2.7 -2,-0.2 3,-0.1 -3,-0.2 0.929 132.4 25.8 -81.1 -51.5 -37.9 55.0 18.8 397 424 A V T <5S+ 0 0 51 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.788 133.9 28.7 -89.4 -30.9 -37.3 54.1 15.1 398 425 A F S - 0 0 47 1,-0.1 3,-1.2 2,-0.1 4,-0.2 -0.506 61.0-145.5 -68.2 127.2 -46.2 46.3 23.3 403 430 A P T 3 S+ 0 0 112 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.851 97.5 37.0 -63.8 -37.4 -44.6 45.5 26.7 404 431 A D T 3> S+ 0 0 92 1,-0.2 4,-0.6 2,-0.1 3,-0.2 -0.138 79.1 114.0-110.7 36.4 -44.0 41.8 25.9 405 432 A Y T <4 S+ 0 0 74 -3,-1.2 3,-0.3 1,-0.2 -1,-0.2 0.813 76.6 54.8 -69.5 -33.1 -43.1 42.1 22.2 406 433 A F T 4 S+ 0 0 34 -3,-0.3 3,-0.3 -4,-0.2 -1,-0.2 0.677 105.8 51.2 -78.1 -20.1 -39.5 41.0 22.9 407 434 A Q T 4 S+ 0 0 168 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.633 109.0 52.5 -87.3 -17.0 -40.7 37.8 24.6 408 435 A K S < S+ 0 0 76 -4,-0.6 2,-0.4 -3,-0.3 -2,-0.2 0.169 74.9 132.5-107.9 15.4 -42.9 36.9 21.6 409 436 A I - 0 0 28 -3,-0.3 2,-0.3 -62,-0.1 -3,-0.0 -0.553 54.6-131.2 -73.3 124.7 -40.3 37.2 18.8 410 437 A K - 0 0 84 -2,-0.4 2,-0.3 1,-0.0 -59,-0.1 -0.608 23.0-129.6 -75.7 134.2 -40.4 34.2 16.4 411 438 A R - 0 0 87 -2,-0.3 -1,-0.0 -60,-0.1 -63,-0.0 -0.681 17.5-137.2 -93.8 138.3 -36.9 32.8 15.8 412 439 A G > - 0 0 12 -2,-0.3 4,-2.8 1,-0.1 3,-0.3 -0.419 25.0-104.2 -92.4 166.7 -35.5 32.1 12.3 413 440 A P H > S+ 0 0 114 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.892 119.4 51.3 -54.1 -47.8 -33.6 29.2 10.8 414 441 A A H > S+ 0 0 16 1,-0.2 4,-1.5 2,-0.2 102,-0.2 0.865 114.0 44.4 -59.3 -40.0 -30.2 31.1 10.8 415 442 A L H > S+ 0 0 0 -3,-0.3 4,-2.8 2,-0.2 5,-0.3 0.944 111.5 52.4 -69.4 -51.3 -30.7 32.0 14.5 416 443 A R H X S+ 0 0 89 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.903 110.2 48.1 -51.6 -50.6 -31.8 28.6 15.6 417 444 A A H X S+ 0 0 31 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.893 112.6 49.3 -57.3 -44.5 -28.8 26.9 14.0 418 445 A Y H X S+ 0 0 0 -4,-1.5 4,-1.6 -5,-0.2 5,-0.2 0.936 113.6 44.1 -63.1 -50.5 -26.4 29.4 15.6 419 446 A S H X S+ 0 0 1 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.817 111.9 55.5 -65.0 -31.5 -27.9 29.0 19.1 420 447 A R H X S+ 0 0 9 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.902 104.6 54.7 -66.0 -41.6 -27.9 25.2 18.6 421 448 A Y H X S+ 0 0 9 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.968 114.3 34.5 -59.6 -62.0 -24.2 25.2 17.8 422 449 A F H X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.714 115.0 58.0 -73.3 -19.5 -22.8 26.9 20.9 423 450 A N H X S+ 0 0 28 -4,-1.4 4,-1.2 -5,-0.2 -1,-0.2 0.904 109.2 46.3 -66.9 -42.1 -25.5 25.4 23.1 424 451 A D H X S+ 0 0 2 -4,-2.1 4,-1.8 1,-0.2 5,-0.4 0.861 111.5 51.2 -68.1 -37.9 -24.3 22.0 22.0 425 452 A V H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.850 110.1 49.9 -67.4 -35.0 -20.6 23.0 22.6 426 453 A S H < S+ 0 0 9 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.736 115.1 43.3 -76.4 -24.0 -21.5 24.2 26.1 427 454 A R H < S+ 0 0 108 -4,-1.2 -2,-0.2 -5,-0.1 -1,-0.2 0.778 132.1 18.4 -88.6 -29.5 -23.2 21.0 27.0 428 455 A R H < S+ 0 0 59 -4,-1.8 -3,-0.2 -5,-0.1 -2,-0.2 0.688 113.5 65.9-116.7 -30.8 -20.7 18.5 25.5 429 456 A G S < S- 0 0 10 -4,-1.7 2,-0.1 -5,-0.4 109,-0.0 -0.186 77.1-106.0 -88.3-177.5 -17.4 20.4 25.0 430 457 A N > - 0 0 59 -2,-0.0 4,-1.7 1,-0.0 3,-0.2 -0.397 41.8 -85.9-100.4-176.9 -14.9 21.9 27.4 431 458 A W H > S+ 0 0 11 -65,-0.2 4,-2.0 1,-0.2 5,-0.2 0.904 123.4 47.8 -57.3 -50.8 -14.1 25.5 28.3 432 459 A Q H > S+ 0 0 29 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.801 111.5 51.0 -67.2 -31.3 -11.7 26.3 25.5 433 460 A E H > S+ 0 0 5 -3,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.834 108.4 53.3 -71.1 -34.6 -14.0 24.9 22.8 434 461 A L H X S+ 0 0 0 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.909 111.3 44.5 -65.8 -44.1 -16.9 27.0 24.2 435 462 A V H X S+ 0 0 5 -4,-2.0 4,-1.4 1,-0.2 3,-0.5 0.880 107.0 58.1 -71.5 -39.3 -14.9 30.2 23.9 436 463 A A H < S+ 0 0 4 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.847 108.1 51.0 -53.5 -34.5 -13.5 29.3 20.4 437 464 A S H < S+ 0 0 0 -4,-1.1 4,-0.3 1,-0.2 -1,-0.2 0.781 112.0 44.1 -73.0 -31.6 -17.2 29.1 19.5 438 465 A L H X S+ 0 0 4 -4,-0.9 4,-0.8 -3,-0.5 -2,-0.2 0.556 96.2 77.0 -95.3 -10.4 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-4.4 -16.6 50.9 7.0 453 480 A K T < S+ 0 0 133 -3,-1.0 16,-0.0 1,-0.4 -4,-0.0 -0.855 82.5 0.6 -97.2 128.4 -15.0 53.9 8.7 454 481 A G T 3 S+ 0 0 79 -2,-0.5 -1,-0.4 2,-0.1 -2,-0.1 -0.373 114.4 82.0-112.0 73.7 -15.2 56.4 7.3 455 482 A K < + 0 0 145 -3,-2.9 2,-0.8 2,-0.0 -2,-0.2 0.119 57.1 130.5-108.1 15.1 -17.2 55.2 4.3 456 483 A V + 0 0 51 -4,-0.4 -122,-0.2 1,-0.1 -123,-0.1 -0.624 28.0 174.4 -74.6 106.9 -20.5 55.4 6.2 457 484 A T + 0 0 102 -124,-1.3 -1,-0.1 -2,-0.8 -123,-0.1 0.076 39.5 119.3-102.3 21.5 -22.8 57.4 3.9 458 485 A A S S- 0 0 10 -125,-0.4 3,-0.1 1,-0.1 -123,-0.1 -0.738 81.4 -85.5 -83.6 135.0 -25.8 56.9 6.2 459 486 A P > - 0 0 91 0, 0.0 3,-1.8 0, 0.0 6,-0.4 -0.031 49.7-101.2 -43.2 136.1 -27.3 60.2 7.5 460 487 A E T 3 S+ 0 0 203 1,-0.3 3,-0.1 5,-0.1 4,-0.0 -0.477 109.0 18.6 -65.2 121.1 -25.5 61.5 10.6 461 488 A G T 3 S+ 0 0 75 1,-0.3 -1,-0.3 -2,-0.3 2,-0.0 0.231 96.6 125.5 100.8 -11.8 -27.7 60.6 13.7 462 489 A S S <> S- 0 0 36 -3,-1.8 4,-2.4 1,-0.1 -1,-0.3 -0.264 74.2-107.7 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K H X S+ 0 0 20 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.843 108.8 55.4 -75.9 -35.0 -5.4 -17.9 15.5 637 113 B L H X S+ 0 0 4 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.769 110.9 46.4 -68.3 -27.5 -3.1 -16.5 18.2 638 114 B L H < S+ 0 0 97 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.887 111.9 49.8 -76.9 -45.1 -0.3 -18.6 16.8 639 115 B Q H < S+ 0 0 123 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.848 112.2 48.7 -60.6 -37.5 -1.0 -17.5 13.2 640 116 B L H >< S+ 0 0 48 -4,-2.1 3,-2.1 1,-0.2 2,-0.3 0.832 81.1 166.5 -75.4 -34.5 -1.1 -13.8 14.2 641 117 B G G >< S- 0 0 35 -4,-1.0 3,-0.6 1,-0.3 -1,-0.2 -0.379 72.6 -3.5 61.3-114.7 2.1 -14.0 16.2 642 118 B E G 3 S+ 0 0 197 -2,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.613 130.7 65.4 -86.1 -15.2 3.3 -10.4 17.0 643 119 B N G < S+ 0 0 81 -3,-2.1 -1,-0.2 -4,-0.1 -2,-0.2 0.413 77.2 121.2 -84.5 0.3 0.4 -8.9 15.0 644 120 B R < - 0 0 73 -3,-0.6 3,-0.1 -7,-0.2 -7,-0.1 -0.328 64.6-116.5 -66.9 144.5 -2.1 -10.3 17.6 645 121 B P - 0 0 19 0, 0.0 -26,-0.2 0, 0.0 -27,-0.1 -0.227 43.2 -76.7 -71.8 169.4 -4.4 -7.9 19.5 646 122 B K E -d 619 0A 86 -28,-2.2 -26,-3.0 112,-0.1 2,-0.5 -0.311 48.4-139.4 -64.2 151.8 -4.3 -7.5 23.3 647 123 B L E -d 620 0A 1 23,-0.2 25,-3.0 -28,-0.2 26,-1.3 -0.955 18.1-172.9-128.9 116.0 -5.9 -10.3 25.2 648 124 B V E -de 621 673A 0 -28,-2.4 -26,-2.6 -2,-0.5 2,-0.6 -0.928 15.0-163.7-103.2 113.7 -8.2 -9.9 28.3 649 125 B V E -de 622 674A 2 24,-2.5 26,-1.9 -2,-0.6 -26,-0.1 -0.891 8.9-174.7-106.3 115.7 -8.9 -13.3 29.8 650 126 B D - 0 0 6 -28,-1.7 2,-0.2 -2,-0.6 24,-0.1 -0.946 25.2-130.5-104.0 119.3 -11.8 -13.7 32.2 651 127 B P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 26,-0.1 -0.504 23.7-177.2 -69.3 131.7 -12.1 -17.2 33.7 652 128 B V + 0 0 63 -29,-0.4 -27,-0.4 -2,-0.2 2,-0.1 -0.878 30.0 132.9-130.1 98.7 -15.6 -18.7 33.6 653 129 B L + 0 0 33 -2,-0.4 27,-0.1 1,-0.1 -29,-0.0 -0.297 20.7 80.7-125.9-157.9 -15.5 -22.1 35.3 654 130 B V 0 0 101 1,-0.3 -1,-0.1 -2,-0.1 26,-0.0 0.905 360.0 360.0 50.2 60.8 -17.3 -24.3 37.9 655 131 B A 0 0 132 -3,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.137 360.0 360.0 54.0 360.0 -20.1 -25.7 35.7 656 ! 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 0.0 657 140 B K >> 0 0 117 0, 0.0 4,-1.0 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -59.1 -10.9 -30.5 34.7 658 141 B D H 3> + 0 0 107 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.716 360.0 69.1 -73.0 -20.9 -9.0 -30.4 31.4 659 142 B I H 3> S+ 0 0 59 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.818 97.9 49.3 -66.6 -32.7 -10.8 -27.0 30.7 660 143 B V H <> S+ 0 0 27 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.880 113.0 48.3 -70.5 -39.7 -8.6 -25.4 33.5 661 144 B S H X S+ 0 0 50 -4,-1.0 4,-2.9 2,-0.2 5,-0.3 0.881 108.6 53.3 -66.1 -41.9 -5.6 -27.0 31.9 662 145 B L H X>S+ 0 0 41 -4,-2.6 4,-2.6 2,-0.2 5,-0.7 0.872 109.7 47.2 -65.2 -39.8 -6.5 -25.8 28.4 663 146 B I H X>S+ 0 0 12 -4,-1.5 5,-3.6 3,-0.2 4,-1.4 0.941 116.3 45.3 -64.5 -46.4 -6.9 -22.2 29.5 664 147 B T H <5S+ 0 0 12 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.891 124.1 33.0 -63.6 -43.6 -3.6 -22.3 31.4 665 148 B E H <5S+ 0 0 108 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.851 132.1 24.3 -82.7 -38.0 -1.7 -24.0 28.6 666 149 B K H <5S+ 0 0 73 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.716 130.8 20.7-108.8 -26.0 -3.3 -22.6 25.4 667 150 B V T >< -g 716 0A 47 38,-0.2 4,-1.7 -2,-0.2 40,-0.2 -0.462 40.9 -90.7 -89.3 176.9 -11.8 -14.4 41.7 678 161 B I H > S+ 0 0 39 38,-1.2 4,-2.4 2,-0.2 5,-0.2 0.897 128.3 48.5 -60.6 -46.4 -10.5 -16.3 44.7 679 162 B P H > S+ 0 0 89 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.926 112.8 49.7 -56.1 -43.3 -12.5 -19.5 44.0 680 163 B E H > S+ 0 0 32 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.761 109.5 53.1 -65.3 -27.0 -11.3 -19.2 40.3 681 164 B C H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.916 105.4 52.3 -70.8 -46.7 -7.8 -18.9 41.7 682 165 B Y H <>S+ 0 0 58 -4,-2.4 5,-1.7 1,-0.2 4,-0.4 0.831 112.4 46.4 -57.9 -36.4 -8.0 -22.1 43.8 683 166 B K H <5S+ 0 0 49 -4,-1.6 -1,-0.2 3,-0.2 3,-0.2 0.850 109.0 54.8 -74.9 -37.1 -9.2 -24.0 40.7 684 167 B L H <5S+ 0 0 17 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.833 120.0 30.6 -67.0 -35.3 -6.4 -22.5 38.5 685 168 B L T <5S- 0 0 34 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.347 105.8-124.3-106.2 4.2 -3.6 -23.6 40.9 686 169 B G T 5S+ 0 0 67 -4,-0.4 2,-0.3 -3,-0.2 -3,-0.2 0.862 75.1 89.5 56.8 44.8 -5.4 -26.7 42.2 687 170 B E S S- 0 0 39 -3,-0.1 4,-0.8 1,-0.1 3,-0.2 -0.824 71.9 -66.3-161.5-160.9 -4.6 -10.7 55.0 694 177 B L H > S+ 0 0 77 -2,-0.2 4,-2.4 1,-0.2 3,-0.4 0.869 121.4 64.1 -74.1 -38.3 -3.3 -8.9 51.9 695 178 B Q H > S+ 0 0 124 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.757 95.6 62.0 -57.8 -27.5 -0.1 -11.0 51.8 696 179 B D H > S+ 0 0 39 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.961 108.4 39.2 -60.4 -54.4 -2.2 -14.1 51.2 697 180 B I H X S+ 0 0 27 -4,-0.8 4,-3.0 -3,-0.4 5,-0.2 0.869 109.7 63.4 -64.2 -39.5 -3.6 -12.7 47.9 698 181 B F H X S+ 0 0 13 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.911 107.1 42.0 -48.3 -51.4 -0.1 -11.3 47.1 699 182 B Q H X S+ 0 0 90 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.918 112.9 52.7 -65.7 -46.0 1.4 -14.9 47.0 700 183 B I H X S+ 0 0 5 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.909 109.9 49.8 -56.1 -46.1 -1.6 -16.3 45.1 701 184 B A H X S+ 0 0 0 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.908 112.0 47.0 -58.8 -46.3 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-4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.847 113.3 52.2 -68.9 -35.8 -18.8 15.7 48.9 942 445 B Y H X S+ 0 0 28 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.938 112.5 45.1 -62.3 -49.3 -20.7 19.1 49.1 943 446 B S H X S+ 0 0 2 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.906 112.1 50.2 -63.4 -47.0 -18.7 20.5 46.1 944 447 B R H X S+ 0 0 14 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.875 109.7 52.3 -60.5 -40.2 -19.1 17.3 43.9 945 448 B Y H X S+ 0 0 10 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.925 112.2 43.0 -63.9 -48.2 -22.8 17.2 44.5 946 449 B F H X S+ 0 0 2 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.777 113.6 52.4 -72.8 -27.5 -23.5 20.8 43.5 947 450 B N H X S+ 0 0 65 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.884 111.6 47.3 -70.1 -39.2 -21.1 20.5 40.5 948 451 B D H X S+ 0 0 9 -4,-2.1 4,-2.4 2,-0.2 5,-0.4 0.913 113.4 45.3 -69.8 -45.5 -23.0 17.3 39.3 949 452 B V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.894 115.2 47.7 -67.5 -40.6 -26.5 18.7 39.7 950 453 B S H < S+ 0 0 1 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.861 118.4 40.6 -68.4 -36.5 -25.6 22.0 38.0 951 454 B R H < S+ 0 0 90 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.848 130.7 24.3 -78.8 -35.9 -23.8 20.3 35.1 952 455 B R H < S+ 0 0 85 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.723 109.9 70.8-104.6 -29.1 -26.3 17.4 34.6 953 456 B G S < S- 0 0 9 -4,-2.2 2,-0.1 -5,-0.4 -940,-0.0 -0.168 75.2-105.6 -90.2 179.7 -29.6 18.6 35.9 954 457 B N > - 0 0 54 1,-0.0 4,-1.7 -2,-0.0 5,-0.2 -0.389 41.7 -89.4 -97.4-179.3 -32.3 21.1 34.8 955 458 B W H > S+ 0 0 38 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.885 124.3 45.5 -59.0 -44.7 -33.2 24.5 36.2 956 459 B Q H > S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.816 110.0 55.1 -73.1 -30.1 -35.8 23.3 38.8 957 460 B E H > S+ 0 0 12 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.826 109.0 48.3 -67.3 -34.1 -33.5 20.5 40.0 958 461 B L H X S+ 0 0 2 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.883 111.2 50.2 -72.0 -40.2 -30.8 23.1 40.7 959 462 B V H X S+ 0 0 14 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.919 106.7 54.9 -62.8 -45.6 -33.2 25.3 42.5 960 463 B A H < S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.807 111.6 45.4 -56.6 -33.8 -34.4 22.3 44.6 961 464 B S H < S+ 0 0 0 -4,-1.0 4,-0.4 1,-0.2 -1,-0.2 0.802 113.7 48.5 -80.0 -32.1 -30.7 21.8 45.6 962 465 B L H X S+ 0 0 36 -4,-1.8 4,-1.2 1,-0.2 3,-0.4 0.743 97.0 72.3 -80.2 -24.7 -30.1 25.5 46.4 963 466 B T H X S+ 0 0 10 -4,-2.1 4,-2.6 1,-0.2 3,-0.4 0.896 90.0 55.2 -61.4 -47.6 -33.2 26.0 48.5 964 467 B P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 5,-0.4 0.824 103.8 58.2 -55.7 -31.9 -32.1 24.0 51.6 965 468 B C H > S+ 0 0 26 -3,-0.4 4,-0.8 -4,-0.4 -2,-0.2 0.905 114.4 36.0 -65.3 -42.5 -29.0 26.3 51.7 966 469 B L H X S+ 0 0 44 -4,-1.2 4,-1.5 -3,-0.4 3,-0.1 0.984 125.8 36.0 -70.5 -61.0 -31.1 29.4 52.0 967 470 B M H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 5,-0.3 0.847 112.3 58.2 -67.2 -40.0 -34.0 28.1 54.2 968 471 B G H X S+ 0 0 0 -4,-2.0 4,-1.0 -5,-0.4 -1,-0.2 0.894 107.4 45.4 -59.7 -47.2 -32.0 25.8 56.4 969 472 B Y H X S+ 0 0 18 -4,-0.8 4,-1.3 -5,-0.4 -1,-0.2 0.922 112.7 52.3 -61.5 -47.1 -29.6 28.5 57.8 970 473 B G H >X S+ 0 0 0 -4,-1.5 4,-1.6 1,-0.2 3,-0.6 0.939 113.7 38.6 -56.9 -57.0 -32.4 31.0 58.4 971 474 B E H 3X S+ 0 0 62 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.618 108.0 65.1 -77.0 -12.8 -34.8 28.9 60.4 972 475 B A H 3< S+ 0 0 1 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.837 114.3 32.3 -68.9 -35.3 -31.8 27.3 62.3 973 476 B L H << S+ 0 0 2 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.1 0.612 108.4 65.5-101.2 -16.6 -31.1 30.7 63.7 974 477 B T H >< S+ 0 0 47 -4,-1.6 3,-1.5 1,-0.2 -3,-0.2 0.909 104.6 49.5 -64.2 -42.5 -34.7 31.9 63.9 975 478 B K T 3< S+ 0 0 76 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.731 105.1 60.5 -61.2 -24.4 -35.0 29.1 66.5 976 479 B M T 3 S+ 0 0 37 16,-0.1 2,-0.7 2,-0.1 -1,-0.3 0.249 75.8 137.3 -93.9 10.8 -31.9 30.6 68.0 977 480 B K S < S- 0 0 95 -3,-1.5 -3,-0.0 1,-0.2 -1,-0.0 -0.904 72.7 -3.3 -99.6 108.9 -33.5 34.0 68.7 978 481 B G S S+ 0 0 57 -2,-0.7 -1,-0.2 -121,-0.0 -2,-0.1 0.108 91.5 94.5 175.2 110.9 -32.6 34.5 71.4 979 482 B K + 0 0 154 -3,-0.2 2,-0.8 -4,-0.1 -2,-0.1 -0.941 53.8 153.9 83.8 -13.6 -30.9 32.9 73.2 980 483 B V + 0 0 67 1,-0.2 -122,-0.2 -122,-0.1 -123,-0.1 -0.818 6.2 164.3 -92.8 108.1 -27.9 34.8 71.8 981 484 B T + 0 0 72 -124,-2.0 -123,-0.2 -2,-0.8 -1,-0.2 0.600 39.6 105.2-100.2 -15.8 -25.2 34.7 74.6 982 485 B A S S- 0 0 8 -125,-1.2 3,-0.1 -126,-0.1 4,-0.1 -0.510 85.1 -95.9 -71.0 132.2 -22.1 35.7 72.6 983 486 B P > - 0 0 99 0, 0.0 3,-1.6 0, 0.0 6,-0.4 -0.151 44.8-101.5 -52.1 135.9 -21.0 39.3 73.2 984 487 B E T 3 S+ 0 0 85 1,-0.2 3,-0.1 5,-0.1 4,-0.0 -0.357 107.0 33.5 -61.4 133.8 -22.4 41.9 70.7 985 488 B G T 3 S+ 0 0 67 1,-0.4 -1,-0.2 -3,-0.1 2,-0.1 0.144 92.1 117.1 104.8 -16.9 -19.8 42.9 68.1 986 489 B S S <> S- 0 0 37 -3,-1.6 4,-3.1 1,-0.1 -1,-0.4 -0.371 78.4-112.2 -81.6 162.3 -18.1 39.5 67.9 987 490 B V H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.831 120.1 54.4 -61.9 -36.0 -17.8 37.1 64.9 988 491 B Y H > S+ 0 0 28 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.908 112.3 43.3 -61.8 -45.3 -20.1 34.7 66.7 989 492 B H H > S+ 0 0 32 -6,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.914 113.1 52.7 -65.9 -46.0 -22.7 37.4 67.2 990 493 B E H X S+ 0 0 130 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.917 109.4 48.6 -53.1 -50.3 -22.2 38.7 63.6 991 494 B W H X S+ 0 0 26 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.871 113.0 46.7 -63.1 -42.0 -22.8 35.2 62.1 992 495 B C H < S+ 0 0 9 -4,-1.6 3,-0.4 1,-0.2 4,-0.3 0.924 114.2 46.1 -64.8 -47.9 -26.0 34.6 64.2 993 496 B E H >X S+ 0 0 119 -4,-2.4 3,-0.8 1,-0.2 4,-0.8 0.794 102.9 65.7 -69.5 -29.3 -27.5 38.0 63.4 994 497 B T H 3< S+ 0 0 54 -4,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.891 109.4 36.6 -59.4 -42.4 -26.7 37.8 59.7 995 498 B Y T 3< S+ 0 0 55 -4,-1.0 -1,-0.2 -3,-0.4 -22,-0.2 0.356 116.0 55.4 -93.4 4.2 -29.1 34.8 59.2 996 499 B A T <4 S+ 0 0 17 -3,-0.8 -2,-0.2 -4,-0.3 -1,-0.2 0.392 80.1 111.7-116.3 -0.0 -31.7 36.1 61.7 997 500 B S S >X S- 0 0 41 -4,-0.8 4,-1.7 -3,-0.4 3,-0.6 -0.344 78.0-116.9 -72.8 156.3 -32.4 39.6 60.2 998 501 B S H 3> S+ 0 0 89 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.772 113.8 62.8 -63.3 -27.8 -35.7 40.5 58.5 999 502 B W H 3> S+ 0 0 214 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.848 103.9 46.4 -65.7 -38.5 -33.8 41.0 55.2 1000 503 B Y H <> S+ 0 0 45 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.893 109.7 53.6 -70.9 -41.5 -32.7 37.3 55.2 1001 504 B R H X S+ 0 0 61 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.806 106.6 54.2 -61.5 -31.1 -36.3 36.2 56.0 1002 505 B E H X S+ 0 0 110 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.895 107.3 48.5 -68.5 -42.2 -37.5 38.2 53.1 1003 506 B A H X S+ 0 0 45 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.837 109.6 54.6 -64.2 -33.9 -35.0 36.4 50.8 1004 507 B M H X S+ 0 0 6 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.891 104.9 52.9 -62.3 -42.5 -36.4 33.2 52.4 1005 508 B D H X S+ 0 0 69 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.872 108.8 49.0 -61.7 -40.0 -39.9 34.3 51.4 1006 509 B E H X S+ 0 0 77 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.809 111.4 51.6 -67.1 -32.5 -38.7 34.8 47.8 1007 510 B G H X S+ 0 0 11 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.944 107.2 50.8 -66.7 -50.7 -37.2 31.3 48.0 1008 511 B E H X S+ 0 0 53 -4,-2.8 4,-1.4 1,-0.2 -177,-0.3 0.844 109.1 52.9 -55.7 -38.7 -40.4 29.7 49.2 1009 512 B K H X S+ 0 0 136 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.896 103.9 55.6 -64.1 -42.3 -42.3 31.3 46.3 1010 513 B L H X S+ 0 0 63 -4,-1.4 4,-1.6 1,-0.2 -2,-0.2 0.879 105.4 51.9 -61.2 -42.1 -39.9 29.9 43.7 1011 514 B L H < S+ 0 0 0 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.879 111.2 47.7 -59.1 -41.4 -40.5 26.4 44.9 1012 515 B N H X S+ 0 0 48 -4,-1.4 4,-0.5 1,-0.2 3,-0.4 0.765 108.2 55.9 -71.7 -26.6 -44.2 26.9 44.6 1013 516 B H H >< S+ 0 0 105 -4,-1.7 3,-0.6 1,-0.2 4,-0.3 0.821 101.5 56.5 -73.3 -32.7 -43.7 28.4 41.2 1014 517 B I T 3X S+ 0 0 1 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.579 92.3 72.7 -77.5 -9.6 -41.9 25.2 40.0 1015 518 B L T 34 S+ 0 0 70 -4,-0.4 -1,-0.2 -3,-0.4 -2,-0.2 0.873 100.6 42.8 -66.8 -39.7 -45.0 23.1 40.9 1016 519 B E T << S+ 0 0 99 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.505 119.0 46.2 -83.8 -5.5 -47.0 24.5 38.0 1017 520 B T T 4 S+ 0 0 80 -4,-0.3 -2,-0.2 -3,-0.1 -1,-0.2 0.575 103.4 69.9-108.9 -16.0 -43.9 24.2 35.7 1018 521 B Y S < S- 0 0 26 -4,-1.1 -1,-0.1 -3,-0.1 5,-0.1 -0.892 82.8-111.6-119.1 133.8 -42.8 20.6 36.6 1019 522 B P > - 0 0 54 0, 0.0 3,-1.0 0, 0.0 4,-0.1 -0.322 20.4-133.4 -60.8 138.4 -44.4 17.2 35.9 1020 523 B P G > S+ 0 0 92 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.688 102.0 66.9 -67.8 -21.1 -45.7 15.3 39.0 1021 524 B E G 3 S+ 0 0 147 1,-0.2 3,-0.4 2,-0.1 4,-0.1 0.798 103.4 45.9 -66.9 -29.6 -44.1 12.1 37.9 1022 525 B Q G X> S+ 0 0 90 -3,-1.0 4,-0.9 1,-0.2 3,-0.6 0.292 83.4 102.0 -96.7 8.2 -40.7 13.7 38.5 1023 526 B L H <> S+ 0 0 43 -3,-0.9 4,-1.3 1,-0.2 3,-0.3 0.829 72.2 60.9 -62.5 -36.8 -41.6 15.2 41.9 1024 527 B D H 3> S+ 0 0 57 -3,-0.4 4,-2.8 -4,-0.3 -1,-0.2 0.837 98.0 57.7 -62.7 -35.4 -39.8 12.5 43.9 1025 528 B T H <> S+ 0 0 26 -3,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.876 104.7 51.5 -63.5 -38.4 -36.4 13.4 42.4 1026 529 B L H X S+ 0 0 2 -4,-0.9 4,-1.6 -3,-0.3 -1,-0.2 0.826 110.9 49.4 -65.2 -33.8 -36.9 17.0 43.7 1027 530 B V H X S+ 0 0 3 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.943 110.0 50.1 -67.6 -49.6 -37.6 15.5 47.1 1028 531 B T H X S+ 0 0 27 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.897 111.8 47.3 -57.4 -45.2 -34.5 13.3 47.1 1029 532 B I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.883 110.3 51.7 -68.4 -37.8 -32.2 16.1 46.1 1030 533 B Y H X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.912 112.8 47.9 -59.0 -43.5 -33.7 18.4 48.8 1031 534 B A H X S+ 0 0 5 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.904 110.3 50.6 -62.0 -45.0 -33.1 15.6 51.3 1032 535 B E H X S+ 0 0 55 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.845 107.9 52.0 -68.5 -34.8 -29.5 14.9 50.1 1033 536 B V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.885 107.7 53.3 -67.3 -39.4 -28.5 18.6 50.4 1034 537 B C H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.940 109.8 47.8 -57.6 -49.1 -29.8 18.7 54.0 1035 538 B E H X S+ 0 0 82 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.894 112.1 49.6 -57.9 -43.9 -27.6 15.7 54.8 1036 539 B L H X S+ 0 0 20 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.863 109.4 51.7 -65.9 -37.3 -24.6 17.3 53.2 1037 540 B E H X S+ 0 0 5 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.856 110.2 48.3 -67.0 -37.7 -25.2 20.6 55.1 1038 541 B T H X S+ 0 0 12 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.875 111.8 51.2 -65.7 -39.0 -25.4 18.6 58.4 1039 542 B N H X S+ 0 0 65 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.859 106.9 52.4 -66.3 -37.9 -22.1 16.9 57.3 1040 543 B F H X S+ 0 0 14 -4,-2.2 4,-0.7 -102,-0.2 -1,-0.2 0.879 115.6 42.3 -62.9 -39.0 -20.5 20.2 56.6 1041 544 B W H X S+ 0 0 0 -4,-1.6 4,-1.1 2,-0.2 3,-0.4 0.865 110.5 53.8 -76.9 -38.7 -21.5 21.3 60.1 1042 545 B T H < S+ 0 0 50 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.768 103.3 59.1 -68.1 -25.0 -20.6 18.1 61.9 1043 546 B A H >< S+ 0 0 28 -4,-1.4 3,-0.8 1,-0.2 -1,-0.2 0.825 104.9 49.5 -69.6 -33.1 -17.1 18.2 60.4 1044 547 B A H 3< S+ 0 0 1 -4,-0.7 3,-0.4 -3,-0.4 -2,-0.2 0.752 107.7 52.8 -79.7 -26.6 -16.4 21.6 62.0 1045 548 B L T 3< S+ 0 0 50 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.188 113.3 46.0 -91.3 15.7 -17.6 20.5 65.5 1046 549 B E S < S+ 0 0 144 -3,-0.8 2,-0.6 -181,-0.1 -1,-0.2 0.269 77.7 132.3-134.5 3.6 -15.2 17.5 65.3 1047 550 B Y 0 0 76 -3,-0.4 -179,-0.1 1,-0.1 -3,-0.1 -0.517 360.0 360.0 -72.1 108.7 -12.0 19.3 64.0 1048 551 B E 0 0 184 -2,-0.6 -1,-0.1 -183,-0.0 -183,-0.0 0.158 360.0 360.0 36.5 360.0 -8.9 18.3 66.1