==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-JAN-05 2BI4 . COMPND 2 MOLECULE: LACTALDEHYDE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.MONTELLA,L.BELLSOLELL,J.BADIA,L.BALDOMA,R.PEREZ,M.COLL, . 764 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26779.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 578 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 36 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 310 40.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.1 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 4 2 1 4 1 2 2 2 2 3 0 2 2 0 2 3 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 2 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 M 0 0 218 0, 0.0 2,-0.1 0, 0.0 397,-0.1 0.000 360.0 360.0 360.0 168.6 15.8 76.9 115.4 2 3 A A - 0 0 15 397,-0.2 2,-0.4 395,-0.1 395,-0.2 -0.468 360.0-123.3 -83.5 155.1 12.1 77.6 114.5 3 4 A N E -A 396 0A 40 393,-3.1 393,-4.3 -2,-0.1 2,-0.4 -0.817 17.6-149.1-103.7 141.1 10.7 77.1 111.0 4 5 A R E -A 395 0A 76 -2,-0.4 2,-0.4 391,-0.3 391,-0.3 -0.882 6.3-161.5-111.8 139.4 9.0 79.8 109.0 5 6 A M E -A 394 0A 3 389,-4.1 389,-2.4 -2,-0.4 2,-0.5 -0.973 4.4-171.3-122.6 131.8 6.2 79.3 106.5 6 7 A I + 0 0 2 -2,-0.4 2,-0.2 387,-0.2 387,-0.2 -0.950 17.9 163.5-126.7 108.7 5.1 81.8 103.8 7 8 A L - 0 0 11 384,-0.7 2,-0.3 -2,-0.5 140,-0.1 -0.722 49.3 -82.7-118.6 167.6 2.0 81.0 101.8 8 9 A N - 0 0 2 -2,-0.2 382,-0.7 1,-0.2 164,-0.1 -0.563 33.8-140.5 -67.7 130.4 -0.4 83.0 99.6 9 10 A E S S+ 0 0 33 162,-0.6 2,-0.3 -2,-0.3 381,-0.2 0.716 90.7 19.1 -65.8 -15.4 -2.8 84.7 102.0 10 11 A T S S+ 0 0 11 162,-0.4 164,-1.4 161,-0.3 2,-0.3 -0.986 71.2 169.0-154.5 140.6 -5.4 83.8 99.4 11 12 A A E -gH 174 388B 1 377,-2.1 377,-3.1 -2,-0.3 2,-0.4 -0.990 19.1-145.1-155.3 146.7 -5.5 81.3 96.5 12 13 A W E -gH 175 387B 43 162,-3.3 164,-3.8 -2,-0.3 2,-0.4 -0.944 16.0-166.5-118.8 138.1 -8.1 79.9 94.1 13 14 A F E +gH 176 386B 7 373,-3.4 373,-2.3 -2,-0.4 164,-0.2 -0.936 37.4 34.8-127.1 144.7 -8.2 76.4 92.7 14 15 A G S > S- 0 0 12 162,-1.6 3,-2.1 -2,-0.4 4,-0.2 0.003 92.3 -36.9 102.3 154.1 -10.0 74.6 89.9 15 16 A R T 3 S+ 0 0 57 1,-0.3 162,-0.1 2,-0.1 -2,-0.1 -0.207 130.2 19.1 -46.8 115.6 -11.3 75.1 86.4 16 17 A G T > S+ 0 0 35 368,-0.1 3,-1.6 159,-0.0 4,-0.4 0.582 75.8 133.3 95.8 11.2 -12.6 78.7 86.3 17 18 A A G X + 0 0 0 -3,-2.1 3,-1.5 1,-0.3 4,-0.2 0.793 66.1 71.3 -62.7 -25.9 -10.7 80.0 89.3 18 19 A V G > S+ 0 0 8 1,-0.3 3,-1.7 -4,-0.2 4,-0.5 0.772 82.9 71.2 -60.3 -25.4 -9.8 82.9 87.1 19 20 A G G < S+ 0 0 30 -3,-1.6 4,-0.4 1,-0.3 3,-0.3 0.840 88.7 61.7 -59.7 -33.0 -13.5 84.0 87.4 20 21 A A G <> S+ 0 0 19 -3,-1.5 4,-1.9 -4,-0.4 -1,-0.3 0.551 84.8 82.6 -71.7 -8.2 -12.8 85.0 91.0 21 22 A L H <> S+ 0 0 0 -3,-1.7 4,-2.8 -4,-0.2 5,-0.2 0.972 81.4 55.5 -60.8 -62.2 -10.2 87.6 89.9 22 23 A T H > S+ 0 0 19 -4,-0.5 4,-2.4 -3,-0.3 -1,-0.2 0.845 113.0 45.8 -40.9 -43.2 -12.5 90.5 89.1 23 24 A D H > S+ 0 0 91 -4,-0.4 4,-3.6 2,-0.2 -1,-0.3 0.910 107.9 53.8 -70.4 -44.7 -14.0 90.3 92.5 24 25 A E H X S+ 0 0 9 -4,-1.9 4,-1.0 -3,-0.2 -2,-0.2 0.937 111.5 48.9 -54.3 -45.3 -10.7 89.9 94.4 25 26 A V H ><>S+ 0 0 2 -4,-2.8 3,-1.2 2,-0.2 5,-0.9 0.972 115.9 41.2 -56.4 -59.2 -9.6 93.1 92.6 26 27 A K H ><5S+ 0 0 108 -4,-2.4 3,-3.8 1,-0.3 -2,-0.2 0.969 107.6 61.4 -52.2 -60.8 -12.8 94.9 93.5 27 28 A R H 3<5S+ 0 0 111 -4,-3.6 -1,-0.3 1,-0.3 -2,-0.2 0.702 115.3 34.8 -40.9 -26.4 -12.9 93.5 97.1 28 29 A R T <<5S- 0 0 65 -3,-1.2 -1,-0.3 -4,-1.0 -2,-0.2 0.060 110.0-120.4-122.0 25.6 -9.5 95.3 97.6 29 30 A G T < 5 + 0 0 44 -3,-3.8 2,-0.3 1,-0.1 -3,-0.2 0.839 44.7 168.0 37.1 66.1 -10.1 98.4 95.5 30 31 A Y < - 0 0 37 -5,-0.9 -1,-0.1 1,-0.1 3,-0.1 -0.722 19.0-162.3 -96.6 156.0 -7.3 98.3 93.0 31 32 A Q + 0 0 136 1,-0.3 29,-0.8 -2,-0.3 2,-0.3 0.818 63.7 10.3-107.7 -48.6 -7.7 100.8 90.1 32 33 A K E -i 60 0B 67 55,-0.2 57,-4.0 27,-0.1 58,-1.7 -0.982 61.5-153.8-136.0 150.6 -5.4 99.6 87.2 33 34 A A E -ij 61 90B 0 27,-1.2 29,-3.3 -2,-0.3 2,-0.6 -0.932 11.0-144.7-125.5 146.6 -3.4 96.5 86.5 34 35 A L E -ij 62 91B 0 56,-1.9 58,-2.1 -2,-0.4 2,-0.6 -0.938 20.3-146.8-105.3 118.5 -0.3 95.8 84.4 35 36 A I E -ij 63 92B 0 27,-3.9 29,-2.0 -2,-0.6 2,-0.6 -0.777 10.2-158.4 -86.1 124.1 -0.6 92.3 82.8 36 37 A V E +ij 64 93B 0 56,-2.8 58,-1.4 -2,-0.6 2,-0.2 -0.926 36.8 118.2-104.6 120.7 2.9 90.8 82.6 37 38 A T - 0 0 0 27,-2.5 30,-1.3 -2,-0.6 2,-0.2 -0.865 56.8 -76.4-158.8-170.6 3.1 88.0 79.9 38 39 A D > - 0 0 32 56,-0.3 4,-0.9 -2,-0.2 28,-0.1 -0.494 29.4-130.9 -95.2 167.2 4.3 86.4 76.7 39 40 A K H > S+ 0 0 109 28,-0.4 4,-2.6 2,-0.2 5,-0.2 0.735 111.9 59.3 -89.7 -27.9 3.3 87.3 73.2 40 41 A T H > S+ 0 0 95 1,-0.2 4,-2.4 2,-0.2 6,-0.2 0.947 106.1 47.9 -62.3 -46.4 2.7 83.6 72.7 41 42 A L H 4>S+ 0 0 22 1,-0.2 5,-1.8 2,-0.2 6,-1.1 0.866 112.2 47.7 -62.3 -40.3 0.1 83.7 75.5 42 43 A V H ><5S+ 0 0 38 -4,-0.9 3,-1.4 4,-0.2 6,-0.3 0.918 112.6 49.5 -68.7 -41.5 -1.6 86.8 74.2 43 44 A Q H 3<5S+ 0 0 139 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.906 105.1 56.8 -64.4 -41.2 -1.8 85.4 70.7 44 45 A C T 3<5S- 0 0 92 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.362 114.5-116.2 -74.0 9.4 -3.2 82.1 71.8 45 46 A G T <>5S+ 0 0 31 -3,-1.4 4,-0.9 -5,-0.1 -3,-0.2 0.680 82.4 122.0 65.3 18.9 -6.1 84.0 73.4 46 47 A V T 4> S+ 0 0 4 -6,-1.1 3,-3.2 1,-0.2 4,-2.2 0.944 104.3 64.4 -61.8 -45.4 -4.7 86.4 78.3 48 49 A A H 3> S+ 0 0 30 1,-0.3 4,-3.3 -6,-0.3 5,-0.4 0.870 89.4 69.2 -43.2 -42.0 -8.0 87.3 76.6 49 50 A K H 3< S+ 0 0 98 -4,-0.9 4,-0.5 -3,-0.3 -1,-0.3 0.803 112.6 28.7 -48.7 -33.0 -9.5 84.8 79.0 50 51 A V H <> S+ 0 0 1 -3,-3.2 4,-2.8 -4,-0.5 -2,-0.2 0.875 118.4 52.7 -95.7 -48.5 -8.7 87.2 81.8 51 52 A T H X S+ 0 0 11 -4,-2.2 4,-3.3 1,-0.2 -3,-0.2 0.899 107.3 56.0 -55.9 -41.1 -8.8 90.6 80.1 52 53 A D H X S+ 0 0 93 -4,-3.3 4,-2.5 -5,-0.3 -1,-0.2 0.923 109.2 44.7 -57.8 -46.0 -12.3 89.7 78.8 53 54 A K H > S+ 0 0 89 -4,-0.5 4,-2.5 -5,-0.4 -1,-0.2 0.936 113.9 50.3 -63.8 -43.9 -13.6 89.1 82.3 54 55 A M H <>S+ 0 0 0 -4,-2.8 5,-3.5 2,-0.2 -2,-0.2 0.909 109.4 52.8 -59.2 -42.3 -11.9 92.3 83.5 55 56 A D H ><5S+ 0 0 85 -4,-3.3 3,-2.1 3,-0.2 -2,-0.2 0.964 110.3 45.4 -57.6 -55.7 -13.5 94.1 80.6 56 57 A A H 3<5S+ 0 0 96 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.876 113.8 50.2 -57.1 -37.9 -17.0 92.9 81.5 57 58 A A T 3<5S- 0 0 25 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.429 117.1-118.2 -81.5 2.5 -16.3 93.7 85.2 58 59 A G T < 5 + 0 0 66 -3,-2.1 2,-0.5 1,-0.2 -3,-0.2 0.835 57.9 157.5 65.7 36.2 -15.1 97.2 84.1 59 60 A L < - 0 0 24 -5,-3.5 -1,-0.2 -8,-0.2 2,-0.2 -0.810 39.8-124.9 -99.9 131.4 -11.6 96.7 85.4 60 61 A A E +i 32 0B 47 -29,-0.8 -27,-1.2 -2,-0.5 2,-0.3 -0.489 37.6 166.0 -74.6 136.8 -8.7 98.8 84.0 61 62 A W E -i 33 0B 77 -29,-0.2 2,-0.3 -2,-0.2 -27,-0.2 -0.994 22.6-166.6-154.7 146.6 -5.7 97.0 82.6 62 63 A A E -i 34 0B 24 -29,-3.3 -27,-3.9 -2,-0.3 2,-0.3 -0.944 22.4-133.4-128.9 150.6 -2.6 97.5 80.5 63 64 A I E -i 35 0B 57 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.751 20.5-177.8-112.0 155.2 -0.4 94.8 79.0 64 65 A Y E +i 36 0B 12 -29,-2.0 -27,-2.5 -2,-0.3 3,-0.4 -0.783 9.4 168.8-146.2 95.3 3.3 94.1 78.8 65 66 A D + 0 0 59 -2,-0.3 -26,-0.1 -29,-0.2 -25,-0.1 -0.173 42.8 113.8-101.8 39.0 4.0 90.9 76.8 66 67 A G + 0 0 23 -28,-0.1 -1,-0.2 9,-0.1 -28,-0.1 0.605 42.4 115.7 -85.3 -12.8 7.8 91.6 76.5 67 68 A V - 0 0 6 -30,-1.3 -28,-0.4 -3,-0.4 31,-0.1 -0.217 44.4-169.1 -59.0 144.2 8.8 88.6 78.6 68 69 A V - 0 0 66 -30,-0.1 -2,-0.0 30,-0.1 7,-0.0 -0.917 40.0 -73.9-131.7 157.7 10.8 85.8 77.0 69 70 A P S S+ 0 0 94 0, 0.0 3,-0.0 0, 0.0 204,-0.0 -0.311 122.8 18.9 -53.4 130.1 11.7 82.3 78.2 70 71 A N S S- 0 0 25 1,-0.1 83,-0.1 82,-0.1 84,-0.0 0.993 101.2-127.5 66.5 67.1 14.4 82.7 80.8 71 72 A P - 0 0 6 0, 0.0 83,-3.1 0, 0.0 2,-0.2 -0.113 23.6-148.3 -49.0 129.0 13.7 86.4 81.6 72 73 A T B >> -m 154 0C 15 81,-0.2 4,-2.2 83,-0.1 3,-1.0 -0.653 27.2-105.2-103.0 158.6 16.8 88.6 81.4 73 74 A I H 3> S+ 0 0 7 81,-1.7 4,-2.4 1,-0.3 5,-0.2 0.812 121.2 57.6 -48.8 -36.3 17.6 91.8 83.3 74 75 A T H 3> S+ 0 0 81 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.892 106.7 47.8 -64.9 -39.8 16.8 93.8 80.3 75 76 A V H <> S+ 0 0 8 -3,-1.0 4,-2.8 2,-0.2 -2,-0.2 0.946 110.9 50.9 -63.6 -50.1 13.3 92.4 80.2 76 77 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.893 112.9 46.9 -54.5 -42.7 12.9 93.0 83.9 77 78 A K H X S+ 0 0 113 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.928 110.4 50.9 -67.1 -45.2 14.0 96.6 83.3 78 79 A E H X S+ 0 0 114 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.888 112.5 48.7 -59.0 -40.5 11.7 97.1 80.3 79 80 A G H X S+ 0 0 0 -4,-2.8 4,-3.3 2,-0.2 5,-0.2 0.973 108.2 50.2 -63.8 -56.5 8.8 95.8 82.4 80 81 A L H X S+ 0 0 20 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.910 112.3 53.5 -47.1 -41.3 9.6 98.0 85.4 81 82 A G H X S+ 0 0 29 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.967 109.0 43.9 -57.1 -58.5 9.6 100.7 82.7 82 83 A V H >< S+ 0 0 53 -4,-2.8 3,-0.6 1,-0.2 -1,-0.2 0.843 114.5 54.7 -55.1 -35.4 6.2 99.9 81.3 83 84 A F H ><>S+ 0 0 14 -4,-3.3 3,-1.1 1,-0.2 5,-0.5 0.913 99.8 56.2 -67.0 -45.8 5.0 99.6 84.9 84 85 A Q H 3<5S+ 0 0 121 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.601 108.4 49.7 -66.2 -10.5 6.1 103.0 86.0 85 86 A N T <<5S+ 0 0 140 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.1 -0.107 93.4 74.1-121.5 39.7 4.1 104.7 83.3 86 87 A S T < 5S- 0 0 17 -3,-1.1 3,-0.1 2,-0.1 -2,-0.1 0.502 89.9-122.1-127.5 -8.3 0.6 103.1 83.6 87 88 A G T 5 + 0 0 71 -4,-0.3 2,-0.2 1,-0.3 -55,-0.2 0.788 59.5 166.9 64.2 20.0 -1.2 104.4 86.6 88 89 A A < - 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0 0 33 -5,-0.9 3,-0.1 1,-0.1 -1,-0.0 -0.166 26.9-150.3 -94.8-159.2 4.0 98.8 113.5 414 1032 B Q + 0 0 143 1,-0.4 29,-0.7 -2,-0.1 2,-0.3 0.481 61.8 13.2-142.0 -51.8 4.1 101.0 116.6 415 1033 B K E -c 443 0A 60 55,-0.1 57,-2.1 27,-0.1 58,-2.1 -0.987 57.7-150.7-138.6 149.5 2.1 99.6 119.5 416 1034 B A E -cd 444 473A 0 27,-1.5 29,-3.4 -2,-0.3 2,-0.7 -0.930 8.5-148.7-123.0 141.2 0.3 96.3 120.4 417 1035 B L E -cd 445 474A 0 56,-1.6 58,-1.8 -2,-0.4 2,-0.6 -0.923 20.2-146.4-103.6 114.8 -2.7 95.4 122.5 418 1036 B I E -cd 446 475A 0 27,-3.9 29,-2.2 -2,-0.7 2,-0.6 -0.750 10.8-158.1 -83.3 119.4 -2.2 92.0 124.0 419 1037 B V E +cd 447 476A 0 56,-2.3 58,-1.7 -2,-0.6 2,-0.2 -0.898 38.4 111.9 -99.3 123.2 -5.6 90.3 124.2 420 1038 B T - 0 0 0 27,-3.2 30,-1.7 -2,-0.6 2,-0.2 -0.816 57.5 -75.3-160.2-162.0 -5.5 87.5 126.9 421 1039 B D - 0 0 29 56,-0.3 4,-0.2 -2,-0.2 28,-0.1 -0.413 29.0-129.6-104.8-179.5 -6.4 85.8 130.1 422 1040 B K S > S+ 0 0 122 28,-0.3 4,-4.1 -2,-0.2 5,-0.3 0.672 109.9 59.4-104.3 -32.9 -5.3 86.4 133.6 423 1041 B T H > S+ 0 0 93 1,-0.2 4,-2.7 2,-0.2 6,-0.2 0.960 107.7 45.9 -57.4 -51.5 -4.4 82.8 134.1 424 1042 B L H 4>S+ 0 0 24 1,-0.2 5,-1.6 2,-0.2 6,-1.3 0.843 115.4 48.4 -58.7 -36.4 -2.0 83.1 131.2 425 1043 B V H >45S+ 0 0 47 4,-0.2 3,-1.4 -4,-0.2 6,-0.3 0.946 113.0 45.1 -68.9 -52.6 -0.7 86.3 132.7 426 1044 B Q H 3<5S+ 0 0 160 -4,-4.1 -2,-0.2 1,-0.3 -3,-0.2 0.835 105.0 63.4 -62.8 -33.9 -0.3 84.9 136.2 427 1045 B C T 3<5S- 0 0 93 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.328 112.6-115.8 -76.6 11.4 1.4 81.8 134.8 428 1046 B G T <>5S+ 0 0 35 -3,-1.4 4,-0.8 -5,-0.1 -3,-0.2 0.672 85.0 118.2 64.3 19.3 4.3 83.9 133.4 429 1047 B V T 4> S+ 0 0 4 -6,-1.3 3,-2.9 1,-0.2 4,-2.4 0.916 105.2 65.1 -66.8 -40.5 2.5 86.3 128.5 431 1049 B A H 3> S+ 0 0 28 -6,-0.3 4,-3.6 1,-0.3 5,-0.4 0.884 87.8 68.9 -44.9 -45.9 5.7 87.4 130.1 432 1050 B K H 3< S+ 0 0 99 -4,-0.8 4,-0.5 1,-0.2 -1,-0.3 0.773 113.2 29.7 -45.7 -30.9 7.5 85.1 127.7 433 1051 B V H <> S+ 0 0 2 -3,-2.9 4,-2.5 -4,-0.4 -2,-0.2 0.865 118.1 51.8 -98.1 -49.9 6.4 87.5 125.0 434 1052 B T H X S+ 0 0 11 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.889 108.1 56.1 -55.7 -39.2 6.2 90.9 126.7 435 1053 B D H X S+ 0 0 95 -4,-3.6 4,-2.7 -5,-0.3 -1,-0.2 0.936 109.0 44.8 -58.9 -47.8 9.8 90.3 128.0 436 1054 B K H > S+ 0 0 92 -4,-0.5 4,-2.2 -5,-0.4 -1,-0.2 0.908 114.7 49.3 -63.1 -42.2 11.1 89.8 124.4 437 1055 B M H <>S+ 0 0 0 -4,-2.5 5,-3.8 2,-0.2 -2,-0.2 0.920 110.9 49.9 -62.4 -46.2 9.2 92.8 123.2 438 1056 B D H ><5S+ 0 0 81 -4,-3.2 3,-2.4 3,-0.2 -2,-0.2 0.967 111.7 47.6 -56.1 -54.7 10.5 94.9 126.0 439 1057 B A H 3<5S+ 0 0 93 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.864 112.5 49.5 -55.2 -38.2 14.1 93.9 125.4 440 1058 B A T 3<5S- 0 0 26 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.441 120.4-115.2 -81.0 1.3 13.5 94.6 121.7 441 1059 B G T < 5 + 0 0 63 -3,-2.4 2,-0.4 1,-0.2 -3,-0.2 0.829 60.7 156.2 69.9 33.7 12.1 98.0 122.8 442 1060 B L < - 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0 0 29 -4,-2.8 -51,-0.2 -5,-0.2 2,-0.1 -0.402 15.7-119.1 102.1-178.6 -16.4 73.6 107.0 641 1259 B L - 0 0 9 103,-0.4 -51,-0.4 -2,-0.1 2,-0.2 -0.204 26.4-131.9-133.5-134.4 -17.1 71.1 109.7 642 1260 B G >> - 0 0 1 105,-0.1 4,-1.7 -2,-0.1 3,-0.6 -0.802 46.7 -36.1-164.3-153.7 -20.3 69.3 110.7 643 1261 B L H 3> S+ 0 0 0 102,-0.3 4,-3.8 -2,-0.2 5,-0.4 0.854 115.3 67.5 -57.6 -42.9 -22.7 68.2 113.5 644 1262 B V H 3> S+ 0 0 3 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.920 111.5 36.0 -47.7 -46.0 -20.1 67.4 116.1 645 1263 B H H <> S+ 0 0 7 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.865 116.6 53.6 -75.4 -34.6 -19.3 71.2 116.3 646 1264 B G H < S+ 0 0 0 -4,-1.7 -2,-0.2 1,-0.2 96,-0.2 0.828 114.0 42.5 -66.5 -33.1 -22.9 72.1 115.7 647 1265 B M H < S+ 0 0 0 -4,-3.8 4,-0.5 -5,-0.1 -1,-0.2 0.622 113.5 53.6 -87.7 -15.5 -24.0 69.9 118.6 648 1266 B A H X S+ 0 0 1 -4,-0.9 4,-1.6 -5,-0.4 -2,-0.2 0.832 98.1 60.9 -87.9 -36.4 -21.1 71.0 120.8 649 1267 B H H >X S+ 0 0 4 -4,-2.0 4,-2.4 1,-0.2 3,-0.8 0.946 103.9 48.7 -57.7 -50.2 -21.6 74.8 120.6 650 1268 B P H 3> S+ 0 0 5 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.856 109.0 56.1 -58.5 -32.5 -25.1 74.7 122.2 651 1269 B L H 3> S+ 0 0 0 -4,-0.5 4,-2.2 2,-0.2 6,-1.2 0.828 107.8 48.4 -67.0 -32.6 -23.6 72.5 124.9 652 1270 B G H - 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0 0 35 -5,-2.1 2,-2.0 -6,-0.2 -1,-0.3 -0.501 55.3-135.0 -68.9 125.7 -5.9 50.4 113.0 692 1310 B K + 0 0 183 -2,-0.3 3,-0.4 1,-0.2 -1,-0.1 -0.566 28.8 177.4 -82.5 78.5 -4.7 47.7 110.6 693 1311 B V > + 0 0 14 -2,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.216 38.4 123.1 -68.5 18.5 -7.6 48.2 108.2 694 1312 B E T 3 S+ 0 0 178 1,-0.2 -1,-0.2 -7,-0.0 7,-0.0 0.943 78.7 17.4 -51.7 -73.5 -6.0 45.5 106.0 695 1313 B G T 3 S+ 0 0 77 -3,-0.4 -1,-0.2 5,-0.0 2,-0.1 0.203 100.3 129.5 -90.4 23.9 -8.6 42.7 105.5 696 1314 B M < - 0 0 51 -3,-0.9 2,-0.2 -4,-0.1 -3,-0.0 -0.430 55.4-132.5 -83.4 149.7 -11.5 45.0 106.5 697 1315 B S > - 0 0 44 -2,-0.1 4,-3.2 1,-0.1 5,-0.3 -0.577 36.8-104.5 -87.1 157.5 -14.7 45.6 104.7 698 1316 B L H > S+ 0 0 42 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.898 127.9 48.5 -52.0 -40.1 -15.7 49.3 104.3 699 1317 B E H > S+ 0 0 92 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.949 111.4 50.4 -61.7 -48.3 -18.3 48.6 107.1 700 1318 B E H >> S+ 0 0 98 1,-0.2 4,-1.9 2,-0.2 3,-0.9 0.965 113.3 44.4 -51.0 -61.2 -15.6 46.9 109.1 701 1319 B A H 3X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.3 -1,-0.2 0.910 106.9 59.2 -52.3 -50.3 -13.2 49.8 108.7 702 1320 B R H 3X S+ 0 0 24 -4,-2.8 4,-1.8 -5,-0.3 -1,-0.3 0.845 109.2 45.3 -51.1 -35.1 -15.9 52.4 109.4 703 1321 B N H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 3,-0.8 0.989 108.3 48.1 -68.0 -61.5 -11.9 57.5 118.6 710 1328 B F H 3X S+ 0 0 45 -4,-2.0 4,-2.0 1,-0.3 -2,-0.2 0.897 111.5 56.1 -43.3 -44.8 -13.8 56.0 121.6 711 1329 B A H 3X S+ 0 0 21 -4,-3.1 4,-2.5 1,-0.2 -1,-0.3 0.886 108.1 45.1 -54.8 -47.2 -10.4 54.4 122.4 712 1330 B L H S+ 0 0 11 -4,-2.2 5,-2.7 2,-0.2 4,-0.8 0.909 112.5 45.0 -48.4 -46.2 -11.0 59.7 124.6 714 1332 B R H ><5S+ 0 0 130 -4,-2.0 3,-2.8 -5,-0.3 -2,-0.2 0.996 112.1 49.4 -58.9 -64.8 -10.7 57.0 127.2 715 1333 B D H 3<5S+ 0 0 101 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.724 114.4 48.6 -45.5 -26.9 -7.0 56.8 127.0 716 1334 B V H 3<5S- 0 0 11 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.543 117.2-109.6 -97.0 -8.5 -7.0 60.6 127.3 717 1335 B G T <<5 + 0 0 64 -3,-2.8 -3,-0.2 -4,-0.8 -2,-0.1 0.668 62.8 148.2 92.8 18.0 -9.3 60.9 130.3 718 1336 B I < - 0 0 12 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.1 -0.749 53.1-111.2 -90.2 128.2 -12.4 62.4 128.7 719 1337 B P - 0 0 45 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.298 20.8-139.5 -56.6 135.4 -15.8 61.3 130.3 720 1338 B P S S+ 0 0 74 0, 0.0 2,-0.3 0, 0.0 -6,-0.0 0.783 76.3 54.0 -69.0 -32.6 -17.8 59.1 127.9 721 1339 B H >> - 0 0 73 1,-0.1 3,-1.1 6,-0.0 4,-0.7 -0.841 69.4-136.7-115.0 149.1 -21.3 60.5 128.6 722 1340 B L T 34>S+ 0 0 0 42,-2.1 5,-2.6 -2,-0.3 3,-0.2 0.696 107.2 67.7 -65.9 -18.6 -22.9 63.9 128.4 723 1341 B R T >45S+ 0 0 117 41,-0.3 3,-1.4 1,-0.2 -1,-0.3 0.847 93.0 57.8 -69.4 -32.8 -24.5 63.0 131.6 724 1342 B D T <45S+ 0 0 87 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.787 105.5 50.5 -67.8 -27.0 -21.1 63.1 133.3 725 1343 B V T 3<5S- 0 0 35 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.046 125.0 -99.4-100.4 25.2 -20.7 66.7 132.2 726 1344 B G T < 5 + 0 0 45 -3,-1.4 2,-0.2 1,-0.2 -3,-0.2 0.595 64.4 159.4 73.6 13.4 -24.1 67.8 133.6 727 1345 B V < - 0 0 5 -5,-2.6 -1,-0.2 -6,-0.1 2,-0.2 -0.506 31.5-139.6 -69.8 135.3 -26.1 67.7 130.4 728 1346 B R - 0 0 137 -2,-0.2 4,-0.3 1,-0.1 -1,-0.1 -0.593 10.9-142.7 -96.3 158.8 -29.8 67.5 131.1 729 1347 B K S S+ 0 0 112 -2,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.433 98.8 63.2 -97.8 -3.1 -32.4 65.5 129.3 730 1348 B E S S+ 0 0 120 1,-0.1 4,-0.2 2,-0.1 -1,-0.2 0.695 105.7 48.1 -89.2 -22.5 -35.1 68.1 129.7 731 1349 B D S >> S+ 0 0 28 1,-0.2 4,-2.2 2,-0.1 3,-1.2 0.615 79.3 95.8 -94.4 -15.9 -33.0 70.4 127.5 732 1350 B I H 3> S+ 0 0 0 -4,-0.3 4,-3.4 1,-0.3 5,-0.3 0.867 83.8 54.8 -44.6 -45.9 -32.1 68.1 124.7 733 1351 B P H 3> S+ 0 0 75 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.901 110.3 47.1 -57.8 -37.4 -35.0 69.4 122.6 734 1352 B A H <> S+ 0 0 47 -3,-1.2 4,-2.7 -4,-0.2 -2,-0.2 0.967 114.7 45.2 -64.5 -54.6 -33.6 72.9 123.1 735 1353 B L H X S+ 0 0 0 -4,-2.2 4,-3.7 1,-0.2 5,-0.3 0.931 108.0 57.5 -53.7 -52.4 -30.1 72.0 122.2 736 1354 B A H X S+ 0 0 0 -4,-3.4 4,-2.9 1,-0.2 -1,-0.2 0.908 110.1 45.1 -46.8 -47.5 -31.2 69.9 119.2 737 1355 B Q H X S+ 0 0 79 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.964 112.0 51.9 -61.4 -51.3 -32.8 73.1 117.8 738 1356 B A H X S+ 0 0 25 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.916 113.1 45.1 -49.6 -49.2 -29.7 75.1 118.7 739 1357 B A H < S+ 0 0 0 -4,-3.7 3,-0.4 1,-0.2 6,-0.3 0.907 106.9 58.4 -63.7 -43.2 -27.5 72.6 116.9 740 1358 B L H < S+ 0 0 58 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.863 112.1 42.2 -55.6 -35.2 -29.9 72.5 113.9 741 1359 B D H < S+ 0 0 100 -4,-2.1 -1,-0.2 -3,-0.2 -2,-0.2 0.713 86.8 113.9 -85.5 -22.3 -29.4 76.2 113.6 742 1360 B D >X - 0 0 9 -4,-1.4 4,-0.7 -3,-0.4 3,-0.5 -0.224 69.5-131.4 -54.2 134.5 -25.6 76.3 114.2 743 1361 B V G >4 S+ 0 0 58 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.878 103.1 59.1 -55.2 -43.6 -23.6 77.3 111.0 744 1362 B C G >4 S+ 0 0 20 1,-0.2 3,-2.3 2,-0.2 -103,-0.4 0.873 91.8 70.8 -54.1 -42.7 -21.2 74.4 111.3 745 1363 B T G X4 S+ 0 0 11 -3,-0.5 3,-3.5 -6,-0.3 -102,-0.3 0.869 83.2 67.5 -42.5 -54.7 -24.0 71.8 111.0 746 1364 B G G << S+ 0 0 60 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.681 92.3 63.3 -44.5 -22.6 -24.8 72.5 107.4 747 1365 B G G < S+ 0 0 15 -3,-2.3 -157,-2.4 -4,-0.3 -1,-0.3 0.627 73.3 120.4 -81.1 -12.1 -21.4 71.0 106.4 748 1366 B N < - 0 0 6 -3,-3.5 -106,-0.1 -4,-0.3 -159,-0.1 -0.261 68.5-132.7 -54.7 132.3 -22.3 67.6 107.8 749 1367 B P S S+ 0 0 19 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.757 95.7 51.8 -59.3 -25.7 -22.1 65.0 105.0 750 1368 B R S S- 0 0 74 -72,-0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.954 94.3-119.8-118.7 116.5 -25.5 63.6 106.1 751 1369 B E - 0 0 156 -2,-0.5 2,-0.4 1,-0.1 -5,-0.1 -0.180 32.2-151.6 -50.1 140.5 -28.4 66.0 106.5 752 1370 B A - 0 0 15 -12,-0.1 2,-0.3 -4,-0.1 -1,-0.1 -0.960 5.7-150.0-124.1 139.1 -29.7 66.0 110.0 753 1371 B T >> - 0 0 56 -2,-0.4 4,-2.2 1,-0.1 3,-0.7 -0.775 33.4-108.4-103.9 150.4 -33.2 66.7 111.3 754 1372 B L H 3> S+ 0 0 43 -2,-0.3 4,-2.4 1,-0.3 5,-0.1 0.864 124.0 48.4 -37.4 -49.4 -34.0 68.2 114.7 755 1373 B E H 3> S+ 0 0 120 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.866 107.4 54.6 -63.7 -40.2 -35.3 64.7 115.7 756 1374 B D H <> S+ 0 0 50 -3,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.864 111.0 46.1 -60.1 -40.1 -32.2 63.0 114.3 757 1375 B I H X S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.885 108.8 54.4 -70.1 -42.8 -30.0 65.3 116.5 758 1376 B V H X S+ 0 0 35 -4,-2.4 4,-2.6 -5,-0.3 5,-0.2 0.956 106.7 52.7 -53.9 -51.3 -32.3 64.7 119.5 759 1377 B E H X S+ 0 0 131 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.920 111.6 47.9 -46.7 -49.4 -31.6 61.0 118.9 760 1378 B L H X S+ 0 0 7 -4,-1.6 4,-0.5 2,-0.2 -2,-0.2 0.947 107.9 50.4 -61.6 -55.3 -27.9 61.9 118.9 761 1379 B Y H >X S+ 0 0 0 -4,-3.3 4,-0.8 1,-0.2 3,-0.7 0.893 115.3 47.2 -51.6 -40.8 -27.9 64.0 122.1 762 1380 B H H >< S+ 0 0 85 -4,-2.6 3,-1.5 -5,-0.3 -2,-0.2 0.975 109.8 48.4 -65.4 -56.4 -29.7 61.1 123.8 763 1381 B T H 3< S+ 0 0 90 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.435 115.8 48.7 -66.4 4.7 -27.6 58.3 122.6 764 1382 B A H << 0 0 0 -3,-0.7 -42,-2.1 -4,-0.5 -41,-0.3 0.500 360.0 360.0-114.9 -18.3 -24.6 60.4 123.7 765 1383 B W << 0 0 61 -3,-1.5 -37,-0.1 -4,-0.8 -3,-0.0 -0.137 360.0 360.0 -69.0 360.0 -26.1 61.2 127.1