==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL WALL BIOSYNTHESIS 06-DEC-01 1GQY . COMPND 2 MOLECULE: UDP-N-ACETYLMURAMATE-L-ALANINE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR T.SKARZYNSKI,A.CLEASBY,E.DOMENICI,M.GEVI,J.SHAW . 937 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40151.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 681 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 6.6 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 68 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 266 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 1 1 5 5 4 3 2 2 3 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 6 10 10 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 . 2 0 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 2 0 0 0 0 2 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 M 0 0 149 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 148.4 54.8 79.8 66.4 2 2 A K > - 0 0 133 1,-0.1 4,-2.3 4,-0.0 3,-0.4 -0.408 360.0-122.4 -75.5 149.0 55.3 80.6 62.8 3 3 A H H > S+ 0 0 137 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.861 110.7 54.6 -52.7 -39.4 52.4 81.4 60.6 4 4 A S H > S+ 0 0 60 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.900 108.8 47.1 -65.5 -42.1 53.2 78.6 58.2 5 5 A H H > S+ 0 0 36 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.881 111.3 52.5 -65.7 -38.3 53.3 75.9 60.9 6 6 A E H X S+ 0 0 93 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.905 109.0 49.0 -64.2 -42.6 50.0 77.2 62.3 7 7 A E H < S+ 0 0 65 -4,-2.2 3,-0.5 -5,-0.2 4,-0.4 0.873 111.2 48.7 -68.5 -37.5 48.3 77.0 59.0 8 8 A I H >X S+ 0 0 9 -4,-1.8 4,-3.0 1,-0.2 3,-2.2 0.934 106.0 59.0 -66.7 -45.7 49.5 73.4 58.3 9 9 A R H 3< S+ 0 0 58 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.674 94.2 64.5 -60.0 -16.3 48.4 72.3 61.8 10 10 A K T 3< S+ 0 0 134 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.728 119.5 23.4 -77.3 -18.3 44.8 73.4 61.1 11 11 A I T <4 S+ 0 0 51 -3,-2.2 -2,-0.2 -4,-0.4 -3,-0.1 0.777 126.0 43.4-108.5 -44.0 44.7 70.6 58.4 12 12 A I S < S- 0 0 10 -4,-3.0 -1,-0.3 -5,-0.1 2,-0.1 -0.928 78.8-138.6-110.1 121.6 47.4 68.1 59.4 13 13 A P - 0 0 24 0, 0.0 2,-0.2 0, 0.0 104,-0.1 -0.337 22.3-106.7 -77.2 156.5 47.7 67.0 63.0 14 14 A E - 0 0 119 -5,-0.1 2,-0.3 1,-0.1 3,-0.1 -0.562 39.0-107.4 -75.8 147.2 50.9 66.5 64.8 15 15 A M > - 0 0 15 -2,-0.2 3,-2.1 3,-0.2 -1,-0.1 -0.642 52.8 -84.7 -78.0 132.7 51.9 62.8 65.5 16 16 A R T 3 S- 0 0 41 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 -0.080 99.3 -21.8 -45.1 117.6 51.4 62.0 69.3 17 17 A R T 3 S+ 0 0 159 1,-0.2 2,-0.8 -3,-0.1 -1,-0.3 0.641 91.8 144.9 55.6 20.5 54.5 63.0 71.3 18 18 A V < + 0 0 6 -3,-2.1 -1,-0.2 1,-0.2 -3,-0.2 -0.805 5.9 148.5 -91.1 114.5 56.7 62.9 68.3 19 19 A Q + 0 0 115 -2,-0.8 25,-2.2 1,-0.3 2,-0.4 0.774 62.6 30.3-111.4 -47.5 59.3 65.6 68.9 20 20 A Q E -a 44 0A 19 57,-0.3 59,-3.1 23,-0.2 60,-1.1 -0.965 61.4-164.2-123.2 130.9 62.4 64.4 67.3 21 21 A I E -ab 45 80A 0 23,-2.3 25,-2.4 -2,-0.4 2,-0.4 -0.952 9.7-158.5-114.2 123.3 62.7 62.2 64.3 22 22 A H E -ab 46 81A 0 58,-2.4 60,-3.1 -2,-0.5 2,-0.5 -0.864 0.5-158.6-106.4 131.7 66.1 60.5 63.6 23 23 A F E > -ab 47 82A 1 23,-2.4 25,-2.4 -2,-0.4 2,-0.7 -0.924 6.2-152.7-109.0 123.3 67.1 59.2 60.1 24 24 A I E 3 S+ab 48 83A 1 58,-2.6 60,-0.7 -2,-0.5 25,-0.1 -0.873 90.4 15.7 -91.7 114.5 69.8 56.6 59.7 25 25 A G T > S+ 0 0 17 23,-2.6 3,-1.4 -2,-0.7 -1,-0.2 0.802 78.8 167.9 93.0 43.2 71.3 57.1 56.3 26 26 A I T < + 0 0 0 22,-2.2 23,-0.2 -3,-0.6 9,-0.1 0.670 64.6 64.7 -74.6 -11.9 69.8 60.5 55.8 27 27 A G T 3 S+ 0 0 22 21,-0.3 -1,-0.3 4,-0.1 28,-0.1 0.704 80.0 105.5 -81.5 -19.8 71.9 61.5 52.8 28 28 A G S X> S- 0 0 34 -3,-1.4 4,-2.0 1,-0.1 3,-0.6 -0.153 82.8-108.1 -52.1 152.3 70.3 58.7 50.8 29 29 A A T 34 S+ 0 0 82 1,-0.2 -1,-0.1 2,-0.2 -2,-0.1 -0.616 112.3 39.1 -77.2 142.4 67.7 59.8 48.2 30 30 A G T 3> S+ 0 0 22 -2,-0.3 4,-0.5 121,-0.2 -1,-0.2 -0.036 115.8 60.2 100.6 -41.2 64.3 58.8 49.4 31 31 A M H <> S+ 0 0 4 -3,-0.6 4,-2.6 -6,-0.2 -2,-0.2 0.900 97.0 51.2 -84.0 -46.8 65.5 59.8 52.9 32 32 A S H X S+ 0 0 9 -4,-2.0 4,-2.0 1,-0.2 5,-0.1 0.822 107.3 54.0 -66.5 -30.3 66.4 63.5 52.5 33 33 A G H > S+ 0 0 8 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.950 111.3 42.3 -71.9 -48.2 63.0 64.5 50.9 34 34 A I H X S+ 0 0 0 -4,-0.5 4,-2.2 1,-0.2 5,-0.2 0.906 114.0 55.1 -66.0 -37.9 60.9 63.0 53.7 35 35 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.903 108.0 48.2 -59.5 -37.3 63.3 64.5 56.2 36 36 A E H X S+ 0 0 27 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.870 108.8 52.4 -77.7 -31.3 62.9 67.9 54.7 37 37 A I H X S+ 0 0 2 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.949 112.2 46.1 -64.1 -43.0 59.1 67.8 54.6 38 38 A L H X>S+ 0 0 2 -4,-2.2 5,-1.9 2,-0.2 4,-0.6 0.906 111.7 52.8 -68.3 -39.5 59.0 66.8 58.3 39 39 A L H ><5S+ 0 0 21 -4,-2.4 3,-1.4 -5,-0.2 -1,-0.2 0.950 110.6 47.4 -55.5 -50.5 61.6 69.6 59.1 40 40 A N H 3<5S+ 0 0 76 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.719 104.2 61.0 -69.2 -20.2 59.4 72.2 57.4 41 41 A E H 3<5S- 0 0 9 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.613 125.9 -96.4 -79.3 -12.1 56.3 70.9 59.2 42 42 A G T <<5S+ 0 0 41 -3,-1.4 -3,-0.2 -4,-0.6 -2,-0.1 0.408 78.4 132.8 118.1 -4.6 57.9 71.8 62.5 43 43 A Y < - 0 0 14 -5,-1.9 2,-0.4 1,-0.1 -1,-0.3 -0.464 61.4-112.9 -77.0 152.8 59.5 68.6 63.8 44 44 A Q E -a 20 0A 103 -25,-2.2 -23,-2.3 -2,-0.1 2,-0.4 -0.734 39.9-158.6 -78.3 137.4 63.1 68.5 65.2 45 45 A I E +a 21 0A 6 -2,-0.4 20,-2.4 18,-0.3 2,-0.3 -0.960 18.7 170.1-123.3 133.8 65.1 66.4 62.7 46 46 A S E +ac 22 65A 3 -25,-2.4 -23,-2.4 -2,-0.4 2,-0.3 -0.956 8.4 162.2-136.0 159.5 68.4 64.6 63.2 47 47 A G E -ac 23 66A 0 18,-2.4 20,-2.0 -2,-0.3 2,-0.3 -0.996 22.6-136.9-170.0 167.2 70.2 62.1 61.1 48 48 A S E +ac 24 67A 0 -25,-2.4 -23,-2.6 -2,-0.3 -22,-2.2 -0.955 14.9 174.9-133.9 150.9 73.4 60.3 60.3 49 49 A D E - c 0 68A 23 18,-2.4 20,-1.6 -2,-0.3 -2,-0.0 -0.987 36.6-130.4-151.3 147.3 75.3 59.3 57.2 50 50 A I S S+ 0 0 115 -2,-0.3 2,-0.4 18,-0.3 -1,-0.1 0.824 97.4 48.7 -63.2 -29.0 78.7 57.7 56.6 51 51 A A S S- 0 0 56 16,-0.1 5,-0.1 17,-0.1 -1,-0.1 -0.925 75.0-138.2-120.4 140.7 79.4 60.5 54.1 52 52 A D + 0 0 85 -2,-0.4 2,-0.3 4,-0.1 3,-0.1 -0.230 41.9 139.3 -73.5 174.5 79.2 64.3 54.3 53 53 A G > - 0 0 26 1,-0.2 4,-1.6 -2,-0.0 5,-0.2 -0.996 63.5 -67.1 171.5-172.7 77.8 66.1 51.2 54 54 A V H > S+ 0 0 120 -2,-0.3 4,-4.0 2,-0.2 5,-0.2 0.956 126.2 49.6 -69.4 -53.2 75.6 68.8 49.6 55 55 A V H > S+ 0 0 42 1,-0.3 4,-3.5 2,-0.2 5,-0.2 0.940 113.1 45.1 -51.5 -54.2 72.5 67.1 50.8 56 56 A T H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.820 116.3 45.4 -62.8 -34.6 73.7 66.8 54.4 57 57 A Q H X S+ 0 0 103 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.840 112.2 54.2 -73.9 -36.2 75.0 70.4 54.4 58 58 A R H X S+ 0 0 94 -4,-4.0 4,-1.7 2,-0.2 3,-0.3 0.979 114.1 39.2 -58.0 -56.2 71.8 71.4 52.8 59 59 A L H X>S+ 0 0 2 -4,-3.5 5,-1.8 1,-0.2 4,-1.1 0.940 113.4 56.8 -58.4 -47.8 69.8 69.8 55.6 60 60 A A H <5S+ 0 0 42 -4,-2.5 3,-0.2 1,-0.3 -1,-0.2 0.814 105.8 49.5 -57.6 -34.0 72.2 70.9 58.3 61 61 A Q H <5S+ 0 0 177 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.915 103.8 59.3 -74.7 -38.1 71.8 74.5 57.4 62 62 A A H <5S- 0 0 68 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.732 132.5 -82.7 -61.6 -23.4 68.0 74.3 57.4 63 63 A G T <5S+ 0 0 53 -4,-1.1 -18,-0.3 1,-0.3 -3,-0.2 0.346 85.7 131.9 137.8 -4.7 68.1 73.2 61.1 64 64 A A < - 0 0 6 -5,-1.8 2,-0.8 -6,-0.1 -1,-0.3 -0.507 56.7-126.6 -75.3 143.0 68.7 69.5 61.0 65 65 A K E -c 46 0A 116 -20,-2.4 -18,-2.4 -2,-0.2 2,-0.3 -0.826 36.2-170.5 -89.4 109.0 71.3 68.0 63.4 66 66 A I E -c 47 0A 34 -2,-0.8 2,-0.3 -20,-0.2 -18,-0.2 -0.797 9.6-175.4-106.8 141.3 73.6 66.0 61.0 67 67 A Y E -c 48 0A 74 -20,-2.0 -18,-2.4 -2,-0.3 2,-0.4 -0.970 18.6-135.6-133.4 150.8 76.4 63.5 61.9 68 68 A I E S+c 49 0A 92 -2,-0.3 -18,-0.3 -20,-0.2 -17,-0.1 -0.850 76.0 21.4-104.8 141.0 78.9 61.4 60.0 69 69 A G S S- 0 0 29 -20,-1.6 2,-0.3 -2,-0.4 -20,-0.2 0.339 96.6 -85.5 75.6 141.7 79.5 57.8 60.9 70 70 A H + 0 0 60 -22,-0.1 2,-0.3 -46,-0.0 -2,-0.1 -0.652 55.4 168.4 -83.0 138.8 76.9 55.9 62.8 71 71 A A > - 0 0 23 -2,-0.3 3,-3.8 1,-0.1 4,-0.3 -0.865 42.8-130.5-161.3 120.6 77.1 56.3 66.6 72 72 A E G > S+ 0 0 100 1,-0.3 3,-1.2 -2,-0.3 -1,-0.1 0.689 107.4 61.3 -34.5 -37.2 74.8 55.4 69.5 73 73 A E G > S+ 0 0 151 1,-0.2 3,-1.3 2,-0.1 -1,-0.3 0.669 87.9 73.8 -70.7 -16.3 75.1 58.9 71.0 74 74 A H G < S+ 0 0 32 -3,-3.8 -1,-0.2 1,-0.3 -2,-0.2 0.712 81.2 71.9 -69.1 -20.1 73.5 60.3 67.8 75 75 A I G X + 0 0 7 -3,-1.2 3,-2.8 -4,-0.3 -1,-0.3 0.428 67.6 154.4 -76.7 -0.9 70.2 58.9 69.0 76 76 A E T < S- 0 0 115 -3,-1.3 -3,-0.1 1,-0.3 -2,-0.0 -0.009 75.9 -18.0 -38.8 115.9 69.9 61.6 71.7 77 77 A G T 3 S+ 0 0 59 1,-0.2 -57,-0.3 2,-0.1 -1,-0.3 0.554 87.2 166.4 63.8 12.8 66.2 62.1 72.5 78 78 A A < - 0 0 7 -3,-2.8 -1,-0.2 1,-0.2 -57,-0.2 -0.337 25.6-165.4 -63.4 134.3 64.8 60.5 69.3 79 79 A S S S+ 0 0 31 -59,-3.1 2,-0.3 1,-0.3 -58,-0.2 0.769 77.3 2.2 -85.9 -26.7 61.1 59.8 69.4 80 80 A V E -b 21 0A 0 -60,-1.1 -58,-2.4 22,-0.1 2,-0.4 -0.973 67.8-140.2-154.2 152.8 61.2 57.5 66.3 81 81 A V E -bd 22 104A 0 22,-2.1 24,-2.7 -2,-0.3 2,-0.4 -0.986 10.9-155.9-122.9 128.5 64.0 56.3 64.1 82 82 A V E -bd 23 105A 0 -60,-3.1 -58,-2.6 -2,-0.4 2,-0.3 -0.900 16.0-177.1-106.6 132.8 63.6 55.9 60.3 83 83 A V E -bd 24 106A 8 22,-2.0 24,-1.3 -2,-0.4 -58,-0.1 -0.920 23.5-126.3-129.1 148.6 65.8 53.5 58.4 84 84 A S - 0 0 36 -60,-0.7 3,-0.3 -2,-0.3 -54,-0.0 -0.285 32.9-112.2 -79.2 179.5 66.3 52.5 54.8 85 85 A S S S+ 0 0 91 1,-0.2 -1,-0.1 -2,-0.1 21,-0.0 0.640 112.2 68.8 -89.9 -11.8 66.0 48.9 53.9 86 86 A A S S+ 0 0 86 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.748 75.9 113.7 -71.8 -26.2 69.7 48.8 53.1 87 87 A I - 0 0 49 -3,-0.3 2,-0.3 -63,-0.1 -4,-0.0 0.077 59.0-134.5 -49.0 157.9 70.7 49.2 56.7 88 88 A K > - 0 0 139 1,-0.1 3,-1.7 0, 0.0 6,-0.2 -0.863 15.9-121.0-119.0 154.6 72.5 46.4 58.6 89 89 A D T 3 S+ 0 0 132 -2,-0.3 6,-0.1 1,-0.3 -1,-0.1 0.735 109.4 65.0 -63.3 -22.8 71.9 44.9 62.1 90 90 A D T 3 S+ 0 0 129 4,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.682 72.9 124.9 -75.3 -13.7 75.5 45.8 63.1 91 91 A N <> - 0 0 9 -3,-1.7 4,-2.9 1,-0.1 5,-0.3 -0.218 59.7-144.4 -49.0 118.7 74.6 49.4 62.8 92 92 A P H > S+ 0 0 50 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.933 98.9 48.3 -52.5 -53.3 75.4 51.1 66.1 93 93 A E H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.884 113.4 48.3 -60.1 -38.3 72.4 53.5 65.9 94 94 A L H > S+ 0 0 13 -6,-0.2 4,-2.1 2,-0.2 5,-0.2 0.922 109.5 50.5 -69.2 -43.4 70.0 50.6 65.0 95 95 A V H X S+ 0 0 66 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.918 115.4 42.1 -65.2 -39.1 71.1 48.2 67.8 96 96 A T H X S+ 0 0 4 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.899 108.5 59.5 -75.1 -35.0 70.8 50.8 70.5 97 97 A S H <>S+ 0 0 0 -4,-2.0 5,-2.5 -5,-0.3 -2,-0.2 0.945 109.7 43.8 -54.0 -49.1 67.5 52.2 69.1 98 98 A K H ><5S+ 0 0 124 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.855 112.5 53.5 -65.8 -32.1 66.0 48.7 69.5 99 99 A Q H 3<5S+ 0 0 151 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.848 110.1 45.5 -73.3 -29.3 67.6 48.4 72.9 100 100 A K T 3<5S- 0 0 125 -4,-2.4 -1,-0.2 -3,-0.2 -2,-0.2 0.331 113.0-121.9 -92.4 8.2 66.1 51.7 74.1 101 101 A R T < 5 + 0 0 202 -3,-0.8 -3,-0.2 1,-0.2 -4,-0.1 0.892 54.4 159.0 51.2 46.2 62.8 50.6 72.6 102 102 A I < - 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m 0 899G 3 -28,-3.0 34,-0.2 -2,-0.4 3,-0.1 -0.702 36.2 -89.6-100.9 159.1 10.5 35.2 79.6 867 402 B D - 0 0 74 32,-0.5 -1,-0.1 -2,-0.3 13,-0.0 -0.333 59.4 -75.1 -65.8 155.0 10.9 33.0 76.6 868 403 B V - 0 0 16 1,-0.1 2,-0.9 -29,-0.1 -27,-0.2 -0.157 35.6-132.0 -51.2 133.2 14.1 33.2 74.5 869 404 B Y B -n 841 0H 91 -29,-3.1 -27,-3.0 1,-0.1 -1,-0.1 -0.829 22.5-158.5 -85.2 108.0 14.5 36.2 72.2 870 405 B A > - 0 0 31 -2,-0.9 3,-2.5 -29,-0.2 -27,-0.3 0.782 3.2-159.1 -65.9 -30.1 15.6 34.4 69.1 871 406 B A T 3 S- 0 0 50 1,-0.3 -1,-0.1 -29,-0.1 -2,-0.1 0.871 79.4 -48.4 51.6 37.2 17.3 37.3 67.2 872 407 B G T 3 S+ 0 0 81 1,-0.3 -1,-0.3 -30,-0.0 2,-0.2 0.309 108.6 127.8 90.8 -12.1 16.7 35.3 64.1 873 408 B E < - 0 0 56 -3,-2.5 -1,-0.3 -4,-0.1 3,-0.1 -0.504 60.5-113.4 -84.5 152.1 18.0 31.9 65.3 874 409 B A - 0 0 73 -2,-0.2 -31,-0.1 1,-0.1 -1,-0.1 -0.584 45.8 -93.0 -72.1 138.9 16.2 28.5 65.1 875 410 B P - 0 0 99 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.095 34.7-148.9 -52.6 152.7 15.2 26.9 68.5 876 411 B I > - 0 0 49 3,-0.1 3,-2.3 -3,-0.1 -3,-0.0 -0.995 22.1-115.0-129.4 119.7 17.6 24.5 70.1 877 412 B V T 3 S+ 0 0 147 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.293 101.4 15.8 -56.4 134.4 16.3 21.7 72.2 878 413 B G T 3 S+ 0 0 38 1,-0.0 -1,-0.3 0, 0.0 0, 0.0 0.460 108.6 87.4 79.1 3.8 17.4 22.1 75.8 879 414 B A < + 0 0 1 -3,-2.3 2,-0.2 4,-0.1 -32,-0.2 -0.183 66.3 96.6-123.9 41.9 18.4 25.7 75.4 880 415 B D S > S- 0 0 49 -34,-0.1 4,-2.5 -5,-0.1 3,-0.2 -0.678 88.0 -95.6-122.4 174.9 15.2 27.6 76.0 881 416 B S H > S+ 0 0 0 1,-0.2 4,-3.4 -2,-0.2 5,-0.2 0.866 121.1 58.7 -62.2 -39.1 13.7 29.3 78.9 882 417 B K H > S+ 0 0 106 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.928 110.1 44.7 -56.4 -42.5 11.6 26.2 80.0 883 418 B S H > S+ 0 0 24 -3,-0.2 4,-2.6 2,-0.2 5,-0.2 0.943 113.3 49.4 -67.3 -47.3 15.0 24.3 80.3 884 419 B L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.939 111.1 52.3 -54.3 -46.6 16.7 27.1 82.1 885 420 B C H X S+ 0 0 6 -4,-3.4 4,-3.0 1,-0.2 -1,-0.2 0.923 109.2 47.1 -55.8 -47.9 13.8 27.3 84.4 886 421 B R H X S+ 0 0 145 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.912 112.1 50.1 -64.5 -41.8 13.8 23.6 85.3 887 422 B S H X S+ 0 0 47 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.886 111.8 48.0 -61.0 -42.7 17.6 23.6 85.9 888 423 B I H X>S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.2 5,-0.5 0.963 110.1 52.0 -63.2 -51.5 17.3 26.6 88.2 889 424 B R H ><5S+ 0 0 112 -4,-3.0 3,-0.7 1,-0.3 -2,-0.2 0.938 108.5 52.0 -53.1 -44.5 14.4 25.1 90.1 890 425 B N H 3<5S+ 0 0 150 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.852 100.6 60.2 -60.5 -33.8 16.5 21.9 90.6 891 426 B L H 3<5S- 0 0 67 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.889 99.3-148.5 -62.6 -32.5 19.4 23.9 92.0 892 427 B G T <<5 + 0 0 58 -4,-1.6 -3,-0.1 -3,-0.7 3,-0.1 0.569 66.4 107.8 80.7 7.7 16.9 24.9 94.6 893 428 B K S - 0 0 75 1,-0.1 3,-2.0 2,-0.0 -1,-0.2 -0.865 69.0-165.9-107.5 99.8 2.2 35.4 77.5 902 437 B T G > S+ 0 0 67 -2,-0.8 3,-1.5 1,-0.3 4,-0.4 0.647 81.3 72.0 -62.0 -15.7 3.6 38.8 78.3 903 438 B S G 3 S+ 0 0 89 1,-0.3 4,-0.3 2,-0.1 3,-0.3 0.794 98.3 53.5 -66.7 -23.6 0.1 40.4 78.6 904 439 B Q G <> S+ 0 0 109 -3,-2.0 4,-2.0 1,-0.2 -1,-0.3 0.510 82.6 97.0 -85.4 -4.5 0.0 38.5 81.8 905 440 B L H <> S+ 0 0 4 -3,-1.5 4,-1.9 1,-0.2 5,-0.2 0.898 81.1 47.3 -54.5 -51.1 3.3 39.9 83.1 906 441 B G H > S+ 0 0 15 -4,-0.4 4,-2.4 -3,-0.3 -1,-0.2 0.907 112.1 49.8 -58.0 -45.3 1.9 42.7 85.3 907 442 B D H > S+ 0 0 108 -4,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.901 109.6 52.1 -59.6 -42.3 -0.6 40.4 87.0 908 443 B V H X S+ 0 0 21 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.890 111.0 47.0 -63.9 -38.9 2.1 37.8 87.7 909 444 B L H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 3,-0.4 0.903 103.0 65.1 -68.7 -39.3 4.3 40.4 89.3 910 445 B D H < S+ 0 0 27 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.869 103.5 45.8 -54.1 -39.1 1.5 41.7 91.3 911 446 B Q H < S+ 0 0 148 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.842 117.6 39.3 -77.8 -29.0 1.1 38.6 93.2 912 447 B I H < S+ 0 0 44 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.743 92.2 109.2 -92.4 -22.0 4.8 37.9 94.0 913 448 B I < - 0 0 8 -4,-2.7 2,-0.3 -5,-0.1 -108,-0.0 -0.034 45.7-166.3 -53.8 150.9 5.8 41.5 94.8 914 449 B Q > - 0 0 102 -110,-0.1 3,-1.4 -81,-0.1 -111,-0.2 -0.944 37.1 -81.1-133.9 158.1 6.7 42.9 98.2 915 450 B D T 3 S+ 0 0 116 -113,-0.3 -82,-0.2 -2,-0.3 -110,-0.2 -0.349 114.8 19.8 -59.2 129.5 7.2 46.4 99.5 916 451 B G T 3 S+ 0 0 18 -112,-2.9 -1,-0.2 1,-0.3 -111,-0.2 0.606 84.9 155.1 88.7 12.6 10.6 47.8 98.7 917 452 B D < - 0 0 1 -3,-1.4 -111,-2.4 -113,-0.5 2,-0.6 -0.474 35.4-148.8 -73.6 141.7 11.4 45.4 95.9 918 453 B L E -jk 806 834G 0 -85,-2.3 -83,-2.5 -113,-0.2 2,-0.6 -0.973 16.8-156.0-106.0 125.0 13.9 46.5 93.2 919 454 B I E -jk 807 835G 0 -113,-3.6 -111,-2.6 -2,-0.6 2,-0.7 -0.885 4.0-157.4-106.3 115.7 12.9 44.8 89.9 920 455 B L E -jk 808 836G 0 -85,-3.0 -83,-3.1 -2,-0.6 2,-1.0 -0.812 5.0-156.8 -90.8 116.1 15.5 44.3 87.2 921 456 B A E -jk 809 837G 2 -113,-3.3 -111,-2.9 -2,-0.7 2,-0.5 -0.830 32.1-163.6 -88.3 107.1 14.1 43.9 83.7 922 457 B Q E +jk 810 838G 0 -85,-3.1 -83,-2.7 -2,-1.0 2,-0.2 -0.836 27.8 51.2-114.4 126.9 17.1 42.0 82.3 923 458 B G - 0 0 1 -113,-2.7 -110,-0.2 -2,-0.5 -111,-0.1 -0.728 67.3 -99.4 141.3 172.6 18.3 41.3 78.8 924 459 B A S S+ 0 0 10 -85,-0.4 -1,-0.1 -2,-0.2 -113,-0.1 0.448 90.7 67.2-104.4 -5.1 19.2 42.6 75.3 925 460 B G S > S- 0 0 7 -86,-0.3 3,-1.1 -83,-0.0 4,-0.3 0.266 112.8 -43.1 -94.8-143.1 16.1 41.8 73.3 926 461 B S T >> S+ 0 0 39 1,-0.3 4,-2.3 2,-0.1 3,-1.2 0.575 103.7 103.1 -68.2 -7.3 12.5 43.0 73.4 927 462 B V H 3> S+ 0 0 4 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.790 76.4 53.4 -49.0 -35.2 12.5 42.9 77.1 928 463 B S H <> S+ 0 0 25 -3,-1.1 4,-1.7 2,-0.2 -1,-0.3 0.812 107.1 51.2 -72.9 -29.8 12.9 46.7 77.4 929 464 B K H <> S+ 0 0 169 -3,-1.2 4,-2.1 -4,-0.3 -2,-0.2 0.914 111.8 49.9 -65.7 -40.1 9.9 47.3 75.2 930 465 B I H X S+ 0 0 31 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.938 111.7 45.2 -64.9 -45.7 8.1 44.9 77.5 931 466 B S H X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.830 108.3 60.0 -66.2 -32.0 9.2 46.7 80.7 932 467 B R H X S+ 0 0 153 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.963 106.4 45.3 -58.7 -52.1 8.3 50.0 79.0 933 468 B G H X S+ 0 0 37 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.956 111.2 53.8 -58.4 -48.3 4.7 48.9 78.6 934 469 B L H X S+ 0 0 13 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.880 107.9 49.9 -51.7 -43.0 4.5 47.7 82.2 935 470 B A H >X S+ 0 0 5 -4,-2.2 4,-1.3 2,-0.2 3,-0.6 0.966 109.9 49.4 -64.8 -50.2 5.7 51.0 83.5 936 471 B E H >< S+ 0 0 108 -4,-2.2 3,-1.0 1,-0.3 -2,-0.2 0.931 110.9 49.7 -55.2 -49.2 3.2 53.0 81.6 937 472 B S H 3< S+ 0 0 89 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.755 115.5 43.8 -62.7 -26.5 0.3 50.7 82.8 938 473 B W H << 0 0 24 -4,-1.5 -1,-0.3 -3,-0.6 -139,-0.2 0.541 360.0 360.0 -89.7 -10.5 1.5 51.1 86.4 939 474 B K << 0 0 173 -4,-1.3 -141,-0.1 -3,-1.0 -3,-0.0 -0.543 360.0 360.0 -85.4 360.0 2.1 54.8 85.8