==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-JUL-10 3NT5 . COMPND 2 MOLECULE: INOSITOL 2-DEHYDROGENASE/D-CHIRO-INOSITOL 3-DEHYD . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR K.E.VAN STRAATEN,D.R.J.PALMER,D.A.R.SANDERS . 674 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29509.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 489 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 10.4 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 61 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 3 0 2 0 0 0 4 4 2 2 0 0 1 0 0 0 2 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 4 0 2 2 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 4 0 0 4 0 2 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 . 2 0 0 0 2 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 1 A M 0 0 216 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 106.7 -39.9 -29.1 4.1 2 2 A S - 0 0 43 1,-0.1 2,-0.3 26,-0.0 26,-0.3 -0.191 360.0 -95.9 -84.5 163.5 -42.1 -26.4 5.6 3 3 A L E -a 28 0A 8 24,-1.9 26,-2.4 1,-0.1 2,-0.7 -0.602 33.5-137.6 -80.9 131.7 -42.8 -25.1 9.2 4 4 A R E -a 29 0A 78 -2,-0.3 64,-1.8 24,-0.2 65,-1.4 -0.799 24.4-166.5-100.8 115.1 -45.8 -26.6 10.9 5 5 A I E -ab 30 69A 0 24,-2.9 26,-1.6 -2,-0.7 27,-0.7 -0.866 14.6-159.4-116.7 130.6 -47.8 -24.1 12.9 6 6 A G E -ab 32 70A 0 63,-2.9 65,-2.6 -2,-0.4 2,-0.6 -0.864 12.9-149.8-103.6 133.8 -50.5 -24.4 15.5 7 7 A V E -ab 33 71A 0 25,-2.9 27,-1.7 -2,-0.4 2,-0.8 -0.903 7.4-167.3-109.0 115.6 -52.9 -21.5 16.1 8 8 A I E S+ab 34 72A 8 63,-2.7 65,-2.7 -2,-0.6 27,-0.2 -0.863 73.8 37.9 -96.1 108.1 -54.4 -20.9 19.5 9 9 A G - 0 0 1 25,-2.2 2,-0.8 -2,-0.8 26,-0.2 0.635 61.5-161.8 114.5 80.6 -57.1 -18.4 19.1 10 10 A T + 0 0 5 24,-0.2 64,-0.1 4,-0.1 25,-0.1 -0.169 50.0 127.4 -88.0 43.0 -59.2 -18.7 16.0 11 11 A G S > S- 0 0 32 -2,-0.8 4,-2.9 62,-0.7 5,-0.2 -0.102 79.7 -71.8 -86.4-173.0 -60.5 -15.2 16.3 12 12 A A H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.905 133.4 37.1 -46.4 -52.5 -60.6 -12.3 13.9 13 13 A I H > S+ 0 0 54 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.866 115.5 52.4 -75.4 -36.5 -56.9 -11.6 14.1 14 14 A G H > S+ 0 0 0 59,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.861 109.4 53.1 -61.0 -35.9 -55.8 -15.2 14.3 15 15 A K H X S+ 0 0 69 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.897 104.7 53.8 -66.0 -40.0 -57.9 -15.7 11.2 16 16 A E H X S+ 0 0 68 -4,-1.6 4,-2.4 -5,-0.2 -2,-0.2 0.908 111.9 45.4 -63.3 -40.2 -56.1 -12.9 9.4 17 17 A H H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.909 109.4 53.1 -65.8 -45.5 -52.8 -14.7 10.1 18 18 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.928 111.7 50.1 -58.0 -39.6 -54.1 -18.1 9.1 19 19 A N H X S+ 0 0 35 -4,-2.5 4,-3.1 2,-0.2 5,-0.4 0.933 111.0 44.4 -63.5 -50.4 -55.1 -16.5 5.9 20 20 A R H X>S+ 0 0 8 -4,-2.4 4,-2.9 1,-0.2 5,-2.7 0.962 115.0 49.1 -63.9 -46.8 -51.8 -14.8 5.1 21 21 A I H <5S+ 0 0 6 -4,-2.9 7,-0.3 3,-0.2 -1,-0.2 0.898 118.0 40.9 -56.1 -41.4 -49.8 -17.9 6.0 22 22 A T H <5S+ 0 0 50 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.917 133.2 16.8 -75.4 -41.5 -52.0 -20.1 3.9 23 23 A N H <5S+ 0 0 108 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.473 132.5 28.7-117.9 -2.7 -52.5 -17.8 0.9 24 24 A K T <5S+ 0 0 102 -4,-2.9 -3,-0.2 -5,-0.4 -4,-0.1 0.701 102.0 60.5-122.9 -45.7 -49.8 -15.1 0.9 25 25 A L S > S- 0 0 80 1,-0.2 4,-1.3 2,-0.0 3,-1.2 -0.771 84.5-169.5 -92.7 75.3 -65.5 -21.6 20.9 38 38 A Q H 3> S+ 0 0 72 -2,-0.9 4,-1.5 1,-0.3 -1,-0.2 0.807 81.7 55.0 -41.0 -39.4 -64.4 -25.0 19.7 39 39 A E H 3> S+ 0 0 109 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.931 98.9 59.3 -62.0 -47.0 -67.0 -24.8 17.0 40 40 A A H <> S+ 0 0 22 -3,-1.2 4,-1.4 1,-0.2 -1,-0.2 0.886 105.3 52.4 -47.8 -41.5 -65.6 -21.5 15.7 41 41 A A H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.882 107.0 50.1 -63.8 -42.5 -62.3 -23.3 15.1 42 42 A Q H X S+ 0 0 95 -4,-1.5 4,-1.9 -3,-0.3 -2,-0.2 0.982 107.1 55.1 -58.9 -53.0 -64.0 -26.1 13.1 43 43 A K H X S+ 0 0 94 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.831 109.0 49.8 -48.8 -37.5 -65.7 -23.6 10.9 44 44 A V H X S+ 0 0 3 -4,-1.4 4,-2.9 -5,-0.2 -1,-0.2 0.981 102.1 56.1 -66.9 -61.3 -62.3 -22.0 10.2 45 45 A V H <>S+ 0 0 22 -4,-2.1 5,-2.6 1,-0.2 -1,-0.2 0.845 116.2 42.7 -39.6 -38.0 -60.5 -25.3 9.2 46 46 A E H ><5S+ 0 0 146 -4,-1.9 3,-3.0 3,-0.2 -2,-0.2 0.986 107.9 56.7 -71.5 -63.5 -63.3 -25.5 6.7 47 47 A Q H 3<5S+ 0 0 104 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.833 119.6 32.9 -27.5 -52.0 -63.3 -21.8 5.6 48 48 A Y T 3<5S- 0 0 38 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.073 104.4-122.3-107.0 25.6 -59.6 -22.2 4.7 49 49 A Q T < 5 + 0 0 162 -3,-3.0 -3,-0.2 -5,-0.2 -4,-0.1 0.874 50.0 176.2 34.3 58.4 -59.5 -25.8 3.5 50 50 A L < - 0 0 18 -5,-2.6 2,-0.2 -6,-0.2 -1,-0.1 -0.412 38.8-142.7 -82.6 165.2 -56.8 -26.6 6.0 51 51 A N + 0 0 151 -21,-0.6 2,-0.3 -2,-0.1 -1,-0.0 -0.665 60.6 127.6-116.3 70.1 -55.3 -30.0 6.7 52 52 A A - 0 0 21 -2,-0.2 -20,-0.3 -7,-0.1 2,-0.2 -0.906 60.3-116.1-129.0 156.1 -55.1 -29.4 10.5 53 53 A T E -c 32 0A 62 -22,-1.7 -20,-2.3 -2,-0.3 2,-0.7 -0.586 24.4-137.3 -81.5 148.5 -56.2 -31.1 13.7 54 54 A V E -c 33 0A 37 -2,-0.2 -20,-0.2 -22,-0.2 -12,-0.1 -0.857 21.4-163.0-111.1 99.4 -58.7 -29.3 16.0 55 55 A Y - 0 0 34 -22,-2.4 -20,-0.4 -2,-0.7 3,-0.1 -0.459 23.1-137.0 -82.6 152.8 -57.7 -29.5 19.7 56 56 A P S S+ 0 0 75 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.775 86.7 0.6 -77.1 -27.3 -60.1 -28.8 22.6 57 57 A N S > S- 0 0 61 -24,-0.1 4,-1.7 1,-0.1 5,-0.1 -0.942 78.6 -96.1-149.9 176.0 -57.3 -26.8 24.3 58 58 A D H > S+ 0 0 19 -2,-0.3 4,-3.9 1,-0.2 5,-0.3 0.866 118.5 57.1 -60.6 -39.7 -53.7 -25.5 24.1 59 59 A D H > S+ 0 0 83 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.926 106.8 48.0 -56.6 -50.2 -52.4 -28.4 26.1 60 60 A S H > S+ 0 0 29 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.917 116.9 44.1 -55.3 -44.5 -53.8 -30.9 23.7 61 61 A L H < S+ 0 0 0 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.918 111.2 50.8 -73.3 -45.1 -52.3 -28.9 20.8 62 62 A L H < S+ 0 0 10 -4,-3.9 -1,-0.2 1,-0.2 -2,-0.2 0.831 104.7 62.4 -61.5 -32.2 -48.9 -28.3 22.5 63 63 A A H < S+ 0 0 68 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.993 83.9 93.5 -48.2 -70.5 -48.9 -32.1 23.1 64 64 A D < - 0 0 27 -4,-1.6 3,-0.2 1,-0.1 -32,-0.0 0.242 61.5-158.6 -28.8 138.2 -49.0 -32.8 19.3 65 65 A E S S+ 0 0 170 1,-0.2 -1,-0.1 3,-0.0 -4,-0.0 0.669 81.8 73.3-103.9 -21.2 -45.5 -33.3 17.8 66 66 A N S S+ 0 0 62 -35,-0.1 2,-0.5 1,-0.1 -1,-0.2 0.444 90.0 80.4 -72.0 4.7 -46.2 -32.6 14.1 67 67 A V + 0 0 1 -3,-0.2 -62,-0.2 -6,-0.1 3,-0.1 -0.953 48.9 167.7-115.5 120.8 -46.4 -29.0 15.3 68 68 A D + 0 0 49 -64,-1.8 24,-1.8 -2,-0.5 2,-0.3 0.401 65.8 29.5-111.1 -0.4 -43.2 -27.1 15.9 69 69 A A E -bd 5 92A 0 -65,-1.4 -63,-2.9 22,-0.2 2,-0.4 -0.964 63.2-154.6-161.3 145.2 -44.5 -23.5 16.3 70 70 A V E -bd 6 93A 0 22,-4.2 24,-2.6 -2,-0.3 2,-0.6 -0.937 13.8-142.5-129.4 144.6 -47.6 -21.7 17.5 71 71 A L E -bd 7 94A 0 -65,-2.6 -63,-2.7 -2,-0.4 2,-1.0 -0.879 15.3-155.6 -91.8 119.4 -49.4 -18.4 17.1 72 72 A V E +bd 8 95A 0 22,-3.1 24,-1.7 -2,-0.6 -63,-0.2 -0.829 38.0 143.9 -93.9 105.7 -50.9 -17.2 20.3 73 73 A T + 0 0 4 -65,-2.7 -62,-0.7 -2,-1.0 -59,-0.5 -0.330 27.6 112.6-141.9 53.1 -53.7 -15.1 19.0 74 74 A S S S- 0 0 30 1,-0.3 5,-0.1 22,-0.1 -65,-0.1 -0.457 76.1 -35.7-114.1-172.5 -56.6 -15.5 21.3 75 75 A W > - 0 0 201 -2,-0.2 3,-1.4 1,-0.1 4,-0.4 -0.124 67.0-110.6 -49.9 140.1 -58.4 -13.2 23.8 76 76 A G G > S+ 0 0 21 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.817 111.6 44.3 -45.9 -53.7 -56.0 -10.8 25.4 77 77 A P G 3 S+ 0 0 59 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.719 105.9 62.2 -69.8 -21.7 -56.0 -12.1 29.0 78 78 A A G <> S+ 0 0 41 -3,-1.4 4,-1.4 1,-0.2 -2,-0.2 0.447 83.4 86.0 -84.1 -1.4 -55.7 -15.7 27.9 79 79 A H H X> S+ 0 0 4 -3,-1.4 4,-1.9 -4,-0.4 3,-0.8 0.997 80.7 54.0 -61.7 -69.7 -52.4 -15.1 26.3 80 80 A E H 3> S+ 0 0 33 -4,-0.4 4,-2.1 1,-0.3 5,-0.3 0.805 108.3 50.0 -31.1 -58.5 -50.1 -15.5 29.3 81 81 A S H 3> S+ 0 0 58 -4,-0.4 4,-1.5 1,-0.2 -1,-0.3 0.913 111.4 47.7 -53.0 -49.7 -51.4 -19.0 30.1 82 82 A S H S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.3 -1,-0.2 0.750 107.4 57.3 -56.0 -29.1 -45.8 -23.5 24.8 87 87 A I H ><5S+ 0 0 0 -4,-2.0 3,-1.1 3,-0.2 -1,-0.3 0.936 110.3 42.6 -68.7 -46.0 -42.4 -22.5 26.3 88 88 A K H 3<5S+ 0 0 128 -4,-1.9 -2,-0.2 -3,-0.5 -1,-0.2 0.893 108.8 57.9 -67.6 -39.5 -42.3 -25.7 28.4 89 89 A A T 3<5S- 0 0 34 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.534 111.7-129.4 -66.4 -1.6 -43.6 -27.7 25.5 90 90 A Q T < 5 + 0 0 147 -3,-1.1 2,-0.3 -5,-0.3 -3,-0.2 0.819 61.4 134.5 56.9 36.6 -40.4 -26.3 23.7 91 91 A K < - 0 0 23 -5,-2.2 2,-0.3 1,-0.0 -22,-0.2 -0.731 62.2 -98.0-104.7 161.3 -42.3 -25.1 20.6 92 92 A Y E -d 69 0A 34 -24,-1.8 -22,-4.2 -2,-0.3 2,-0.5 -0.594 39.7-155.9 -81.0 141.2 -41.8 -21.7 19.0 93 93 A V E -de 70 121A 0 27,-3.4 29,-2.5 -2,-0.3 2,-0.5 -0.961 19.2-172.6-130.1 126.4 -44.3 -19.0 19.9 94 94 A F E -de 71 122A 0 -24,-2.6 -22,-3.1 -2,-0.5 2,-0.6 -0.964 20.6-166.9-106.8 120.5 -45.5 -15.8 18.2 95 95 A C E -de 72 123A 0 27,-2.8 29,-2.7 -2,-0.5 -22,-0.2 -0.913 14.9-141.9-120.9 115.7 -47.7 -13.8 20.5 96 96 A E - 0 0 18 -24,-1.7 -22,-0.1 -2,-0.6 29,-0.1 -0.437 57.0 -49.5 -61.7 142.4 -49.9 -10.9 19.5 97 97 A K S S+ 0 0 59 27,-0.2 2,-0.1 -2,-0.1 -1,-0.1 -0.260 113.8 57.2 -54.2 142.0 -50.0 -8.1 22.2 98 98 A P - 0 0 40 0, 0.0 3,-0.2 0, 0.0 26,-0.1 0.564 57.9-169.6 -80.1 162.1 -50.5 -8.3 25.0 99 99 A L S S- 0 0 6 1,-0.4 2,-0.3 206,-0.2 -16,-0.2 0.940 84.1 -15.9 -70.4 -53.4 -47.7 -10.7 26.0 100 100 A A - 0 0 4 205,-0.2 -1,-0.4 -21,-0.1 6,-0.2 -0.973 65.7-125.2-148.6 141.7 -49.4 -10.9 29.5 101 101 A T S S+ 0 0 77 -2,-0.3 2,-0.3 -24,-0.2 -1,-0.1 0.849 96.2 48.4 -60.9 -30.2 -52.0 -8.5 30.9 102 102 A T S > S- 0 0 48 1,-0.1 4,-2.0 -25,-0.1 5,-0.1 -0.761 82.7-124.8-111.7 155.6 -49.8 -7.9 34.0 103 103 A A H > S+ 0 0 12 -2,-0.3 4,-2.3 206,-0.2 3,-0.2 0.958 112.7 47.2 -62.1 -52.3 -46.1 -7.0 34.3 104 104 A E H > S+ 0 0 109 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.917 106.4 60.0 -55.3 -44.1 -45.3 -9.9 36.6 105 105 A G H > S+ 0 0 0 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.927 107.3 46.1 -46.9 -49.4 -47.2 -12.2 34.2 106 106 A C H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 -1,-0.3 0.928 108.1 58.0 -57.0 -44.7 -44.7 -11.1 31.6 107 107 A M H X S+ 0 0 36 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.899 101.6 52.8 -56.1 -45.7 -41.9 -11.6 34.1 108 108 A R H X S+ 0 0 112 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.935 108.8 52.4 -56.0 -44.5 -42.8 -15.3 34.6 109 109 A I H X S+ 0 0 0 -4,-1.5 4,-1.7 -5,-0.2 -1,-0.2 0.856 107.9 50.4 -61.9 -38.1 -42.6 -15.7 30.8 110 110 A V H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.979 109.4 50.5 -61.4 -54.3 -39.2 -14.2 30.7 111 111 A E H X S+ 0 0 105 -4,-2.6 4,-1.4 1,-0.3 -2,-0.2 0.875 108.8 52.1 -54.2 -44.7 -37.8 -16.5 33.4 112 112 A E H X S+ 0 0 31 -4,-2.3 4,-2.2 1,-0.2 3,-0.3 0.923 110.0 49.0 -54.0 -47.5 -39.1 -19.5 31.6 113 113 A E H < S+ 0 0 1 -4,-1.7 5,-0.2 1,-0.2 -2,-0.2 0.873 104.6 57.2 -66.6 -36.7 -37.4 -18.5 28.4 114 114 A I H >< S+ 0 0 61 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.852 109.3 48.8 -63.8 -31.5 -34.1 -17.9 30.1 115 115 A K H 3< S+ 0 0 146 -4,-1.4 2,-1.3 -3,-0.3 -2,-0.2 0.993 99.7 61.8 -64.2 -64.1 -34.2 -21.5 31.3 116 116 A V T 3< S- 0 0 42 -4,-2.2 2,-1.7 1,-0.2 -1,-0.2 0.246 106.6-126.8 -62.6 21.0 -35.1 -23.1 28.0 117 117 A G S < S+ 0 0 54 -2,-1.3 2,-0.2 -3,-0.7 -1,-0.2 0.036 70.7 44.6 74.8 -31.9 -31.8 -21.8 26.7 118 118 A K S S- 0 0 96 -2,-1.7 2,-0.7 -5,-0.2 178,-0.1 -0.617 89.1 -72.8-135.8-166.9 -32.9 -20.0 23.5 119 119 A R + 0 0 25 -2,-0.2 178,-1.3 1,-0.2 3,-0.1 -0.844 52.0 141.9 -97.6 113.1 -35.3 -17.6 21.8 120 120 A L + 0 0 3 -2,-0.7 -27,-3.4 176,-0.2 2,-0.6 0.473 51.9 85.5-119.9 -12.0 -38.8 -19.0 21.1 121 121 A V E +e 93 0A 0 -29,-0.2 2,-0.5 176,-0.1 181,-0.4 -0.838 45.1 173.4-102.2 121.7 -40.9 -16.0 21.9 122 122 A Q E -e 94 0A 0 -29,-2.5 -27,-2.8 -2,-0.6 2,-0.4 -0.992 21.7-144.9-120.5 123.9 -41.6 -13.2 19.3 123 123 A V E -e 95 0A 0 177,-3.1 2,-2.2 -2,-0.5 -27,-0.2 -0.757 20.5-120.1 -92.8 134.7 -44.1 -10.5 20.3 124 124 A G + 0 0 0 -29,-2.7 2,-1.5 -2,-0.4 -27,-0.2 -0.149 58.9 140.0 -75.0 46.0 -46.4 -9.1 17.5 125 125 A F > + 0 0 4 -2,-2.2 3,-1.4 1,-0.2 -1,-0.1 -0.666 26.8 179.0 -82.4 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101.5 61.8-125.5 -43.8 -41.7 50.6 0.8 363 25 B L S > S- 0 0 79 1,-0.2 4,-1.4 2,-0.0 3,-1.2 -0.773 84.8-169.5 -92.9 75.5 -25.8 56.7 20.7 376 38 B Q H 3> S+ 0 0 68 -2,-0.9 4,-1.4 1,-0.3 -1,-0.2 0.803 81.9 55.2 -42.2 -37.8 -26.8 60.2 19.6 377 39 B E H 3> S+ 0 0 112 2,-0.2 4,-2.0 1,-0.2 3,-0.4 0.933 101.5 55.7 -62.3 -47.1 -24.3 59.9 16.8 378 40 B A H <> S+ 0 0 23 -3,-1.2 4,-2.8 1,-0.3 3,-0.2 0.912 108.5 49.0 -48.7 -49.6 -25.7 56.6 15.5 379 41 B A H X S+ 0 0 0 -4,-1.4 4,-1.8 1,-0.2 -1,-0.3 0.801 109.8 51.6 -60.6 -33.5 -29.1 58.3 15.1 380 42 B Q H X S+ 0 0 93 -4,-1.4 4,-0.8 -3,-0.4 -1,-0.2 0.802 110.5 48.9 -73.9 -28.4 -27.3 61.2 13.3 381 43 B K H X S+ 0 0 99 -4,-2.0 4,-2.9 -3,-0.2 3,-0.3 0.891 108.2 53.1 -77.9 -45.0 -25.7 58.6 11.0 382 44 B V H X S+ 0 0 4 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.960 103.7 57.7 -46.1 -57.8 -29.0 56.9 10.3 383 45 B V H <>S+ 0 0 20 -4,-1.8 5,-2.7 1,-0.2 -1,-0.2 0.805 112.7 38.9 -50.2 -36.5 -30.6 60.2 9.3 384 46 B E H ><5S+ 0 0 148 -4,-0.8 3,-2.2 -3,-0.3 -1,-0.2 0.903 109.4 62.2 -79.6 -43.9 -28.0 60.8 6.6 385 47 B Q H 3<5S+ 0 0 107 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.918 115.4 32.0 -42.4 -54.9 -28.0 57.1 5.6 386 48 B Y T 3<5S- 0 0 43 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.001 107.2-120.8 -98.0 28.5 -31.7 57.3 4.6 387 49 B Q T < 5 + 0 0 161 -3,-2.2 -3,-0.2 -5,-0.1 -4,-0.1 0.856 50.8 176.2 31.4 59.0 -31.7 61.0 3.4 388 50 B L < - 0 0 19 -5,-2.7 2,-0.2 -6,-0.2 -1,-0.1 -0.408 39.1-142.6 -82.4 163.8 -34.3 61.9 6.0 389 51 B N + 0 0 151 -21,-0.6 2,-0.3 -2,-0.1 -1,-0.1 -0.648 60.7 128.5-114.6 68.6 -35.7 65.3 6.7 390 52 B A - 0 0 21 -2,-0.2 -20,-0.3 -7,-0.1 2,-0.2 -0.905 59.8-117.4-127.6 153.5 -35.9 64.7 10.4 391 53 B T E -o 370 0D 63 -22,-1.4 -20,-2.6 -2,-0.3 2,-0.6 -0.562 24.4-136.8 -80.0 149.3 -34.8 66.3 13.7 392 54 B V E -o 371 0D 36 -22,-0.2 -20,-0.2 -2,-0.2 -12,-0.1 -0.868 21.3-162.7-112.6 99.9 -32.4 64.4 16.0 393 55 B Y - 0 0 35 -22,-2.7 -20,-0.4 -2,-0.6 3,-0.1 -0.492 22.8-137.4 -83.9 151.1 -33.4 64.6 19.6 394 56 B P S S- 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.778 86.7 -0.0 -75.6 -27.9 -31.0 63.8 22.5 395 57 B N S > S- 0 0 64 -24,-0.1 4,-1.7 1,-0.1 5,-0.1 -0.940 79.0 -95.6-150.3 175.5 -33.8 61.9 24.2 396 58 B D H > S+ 0 0 22 -2,-0.3 4,-4.1 1,-0.2 5,-0.3 0.884 118.3 57.3 -59.9 -42.1 -37.4 60.8 24.0 397 59 B D H > S+ 0 0 83 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.926 106.7 48.1 -54.5 -50.7 -38.7 63.7 26.1 398 60 B S H > S+ 0 0 31 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.910 117.1 43.9 -56.3 -43.1 -37.2 66.2 23.7 399 61 B L H < S+ 0 0 0 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.912 111.3 50.8 -73.2 -45.3 -38.7 64.3 20.8 400 62 B L H < S+ 0 0 12 -4,-4.1 -1,-0.2 1,-0.2 -2,-0.2 0.831 104.7 62.3 -61.4 -32.9 -42.1 63.7 22.4 401 63 B A H < S+ 0 0 68 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.993 83.8 94.2 -47.5 -70.8 -42.1 67.5 23.1 402 64 B D < - 0 0 27 -4,-1.6 3,-0.2 1,-0.1 -32,-0.0 0.239 61.0-159.1 -27.7 136.4 -42.0 68.2 19.3 403 65 B E S S+ 0 0 167 1,-0.2 -1,-0.1 3,-0.0 -4,-0.0 0.668 81.9 73.0-103.4 -21.4 -45.4 68.8 17.7 404 66 B N S S+ 0 0 64 -35,-0.1 2,-0.5 1,-0.1 -1,-0.2 0.444 90.3 80.8 -71.6 5.0 -44.8 68.1 14.1 405 67 B V + 0 0 0 -3,-0.2 -62,-0.2 -6,-0.1 3,-0.1 -0.949 48.4 167.3-116.3 119.7 -44.7 64.5 15.3 406 68 B D + 0 0 48 -64,-1.7 24,-2.1 -2,-0.5 2,-0.3 0.412 65.7 29.6-109.9 -1.6 -48.0 62.7 15.9 407 69 B A E -np 343 430D 0 -65,-1.3 -63,-3.1 22,-0.2 2,-0.4 -0.973 63.3-153.7-160.3 145.9 -46.8 59.1 16.3 408 70 B V E -np 344 431D 0 22,-3.7 24,-2.6 -2,-0.3 2,-0.7 -0.943 13.6-142.5-130.5 144.7 -43.7 57.2 17.5 409 71 B L E -np 345 432D 1 -65,-2.4 -63,-2.4 -2,-0.4 2,-1.0 -0.868 14.9-156.5 -91.4 116.6 -41.9 53.9 17.0 410 72 B V E +np 346 433D 0 22,-3.1 24,-1.9 -2,-0.7 -63,-0.2 -0.822 38.4 142.9 -92.6 105.3 -40.5 52.6 20.2 411 73 B T + 0 0 4 -65,-2.6 -62,-0.7 -2,-1.0 -59,-0.4 -0.334 28.4 111.9-143.5 51.6 -37.8 50.4 18.9 412 74 B S S S- 0 0 30 1,-0.3 5,-0.1 22,-0.1 -65,-0.1 -0.511 78.1 -37.8-113.7-178.7 -34.9 50.7 21.2 413 75 B W > - 0 0 204 -2,-0.2 3,-1.2 1,-0.1 -1,-0.3 -0.145 69.4-111.2 -38.5 134.4 -33.1 48.4 23.6 414 76 B G G > S+ 0 0 22 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.770 108.5 48.3 -51.3 -48.1 -35.8 46.2 25.4 415 77 B P G 3 S+ 0 0 65 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.747 104.0 61.6 -67.9 -25.1 -35.8 47.5 29.0 416 78 B A G <> S+ 0 0 43 -3,-1.2 4,-1.4 1,-0.2 -2,-0.2 0.415 83.5 86.7 -83.3 1.0 -36.0 51.2 27.9 417 79 B H H X> S+ 0 0 4 -3,-1.3 4,-1.9 -4,-0.2 3,-0.8 0.999 80.4 53.7 -62.8 -69.5 -39.3 50.5 26.3 418 80 B E H 3> S+ 0 0 32 -4,-0.4 4,-2.2 1,-0.3 5,-0.3 0.806 108.4 50.1 -32.0 -59.1 -41.7 51.0 29.2 419 81 B S H 3> S+ 0 0 59 -4,-0.4 4,-1.6 1,-0.2 -1,-0.3 0.915 111.4 47.8 -50.5 -51.4 -40.3 54.5 30.1 420 82 B S H X S+ 0 0 57 -4,-1.6 4,-2.9 -5,-0.3 3,-0.6 0.982 108.7 48.2 -55.4 -59.6 -44.3 59.3 28.2 424 86 B A H 3<>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.3 -1,-0.2 0.751 107.7 56.6 -56.3 -28.8 -45.8 59.1 24.7 425 87 B I H ><5S+ 0 0 0 -4,-2.1 3,-1.0 3,-0.2 -1,-0.3 0.921 110.6 42.8 -69.1 -43.6 -49.2 58.1 26.1 426 88 B K H <<5S+ 0 0 126 -4,-1.8 -2,-0.2 -3,-0.6 -1,-0.2 0.888 108.6 57.9 -70.7 -38.3 -49.3 61.3 28.2 427 89 B A T 3<5S- 0 0 35 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.524 111.6-129.0 -67.2 -1.2 -47.9 63.3 25.4 428 90 B Q T < 5 + 0 0 147 -3,-1.0 2,-0.3 -5,-0.3 -3,-0.2 0.820 61.6 134.7 56.5 36.9 -51.0 62.0 23.6 429 91 B K < - 0 0 26 -5,-2.2 2,-0.3 1,-0.0 -22,-0.2 -0.734 62.0 -98.3-104.9 161.0 -49.1 60.8 20.5 430 92 B Y E -p 407 0D 37 -24,-2.1 -22,-3.7 -2,-0.3 2,-0.5 -0.595 39.7-155.8 -81.8 141.3 -49.7 57.4 18.9 431 93 B V E -pq 408 459D 0 27,-2.8 29,-2.4 -2,-0.3 2,-0.6 -0.958 19.3-172.5-131.2 124.9 -47.3 54.6 19.8 432 94 B F E -pq 409 460D 0 -24,-2.6 -22,-3.1 -2,-0.5 2,-0.6 -0.962 20.5-165.8-106.4 122.0 -46.1 51.4 18.1 433 95 B C E -pq 410 461D 0 27,-2.9 29,-3.1 -2,-0.6 2,-0.2 -0.926 14.0-142.9-121.5 116.0 -44.0 49.4 20.4 434 96 B E - 0 0 16 -24,-1.9 -22,-0.1 -2,-0.6 29,-0.1 -0.479 56.9 -50.0 -62.9 140.4 -41.8 46.4 19.4 435 97 B K S S+ 0 0 57 27,-0.2 2,-0.1 -2,-0.2 -1,-0.1 -0.249 114.3 57.2 -53.9 140.3 -41.8 43.6 22.0 436 98 B P - 0 0 38 0, 0.0 3,-0.2 0, 0.0 26,-0.1 0.544 57.8-170.0 -80.6 161.8 -41.3 43.8 24.9 437 99 B L S S- 0 0 5 1,-0.4 2,-0.3 206,-0.2 -16,-0.2 0.956 84.4 -16.1 -68.3 -56.8 -44.0 46.2 25.9 438 100 B A - 0 0 3 205,-0.2 -1,-0.4 -21,-0.1 6,-0.2 -0.980 65.2-125.6-146.9 140.5 -42.4 46.4 29.3 439 101 B T S S+ 0 0 78 -2,-0.3 2,-0.3 -24,-0.2 -1,-0.1 0.831 96.1 49.3 -59.4 -29.9 -39.9 44.0 30.7 440 102 B T S > S- 0 0 46 1,-0.1 4,-1.9 -25,-0.1 5,-0.1 -0.792 82.6-125.3-112.9 153.8 -42.1 43.4 33.8 441 103 B A H > S+ 0 0 10 -2,-0.3 4,-2.2 206,-0.3 207,-0.2 0.940 112.6 47.0 -60.8 -50.5 -45.8 42.5 34.1 442 104 B E H > S+ 0 0 110 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.918 106.2 60.0 -57.2 -44.4 -46.6 45.4 36.4 443 105 B G H > S+ 0 0 0 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.930 107.4 46.0 -45.8 -49.9 -44.7 47.7 34.1 444 106 B C H X S+ 0 0 1 -4,-1.9 4,-1.9 1,-0.2 -1,-0.3 0.917 108.4 57.9 -57.9 -43.5 -47.2 46.6 31.4 445 107 B M H X S+ 0 0 34 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.891 101.9 52.4 -57.4 -45.4 -50.0 47.2 33.9 446 108 B R H X S+ 0 0 112 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.928 108.9 52.6 -55.6 -44.6 -49.0 50.9 34.4 447 109 B I H X S+ 0 0 0 -4,-1.6 4,-1.7 -5,-0.3 -1,-0.2 0.857 107.9 50.3 -61.7 -38.0 -49.1 51.3 30.6 448 110 B V H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.978 109.2 50.5 -62.5 -55.2 -52.6 49.8 30.4 449 111 B E H X S+ 0 0 103 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.877 108.6 52.9 -52.3 -45.0 -54.0 52.1 33.2 450 112 B E H X S+ 0 0 31 -4,-2.3 4,-2.2 1,-0.2 3,-0.4 0.931 109.8 48.4 -53.7 -48.0 -52.6 55.2 31.4 451 113 B E H < S+ 0 0 0 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.863 104.5 57.5 -67.1 -36.3 -54.3 54.2 28.2 452 114 B I H >< S+ 0 0 58 -4,-2.3 3,-0.6 1,-0.2 -1,-0.3 0.844 109.4 48.8 -64.5 -29.5 -57.6 53.6 29.7 453 115 B K H 3< S+ 0 0 147 -4,-1.4 2,-1.4 -3,-0.4 -2,-0.2 0.990 99.2 62.3 -66.9 -62.6 -57.4 57.2 31.0 454 116 B V T 3< S- 0 0 44 -4,-2.2 2,-1.7 1,-0.2 -1,-0.2 0.264 106.5-126.8 -62.7 21.1 -56.5 58.9 27.7 455 117 B G S < S+ 0 0 55 -2,-1.4 2,-0.2 -3,-0.6 -1,-0.2 0.033 71.5 50.0 73.6 -32.6 -59.8 57.6 26.4 456 118 B K S S- 0 0 94 -2,-1.7 2,-0.9 -5,-0.2 178,-0.1 -0.637 88.9 -79.5-133.3-168.7 -58.7 55.8 23.2 457 119 B R + 0 0 25 -2,-0.2 178,-2.5 1,-0.2 -5,-0.0 -0.814 52.7 143.6-101.7 99.1 -56.4 53.2 21.6 458 120 B L + 0 0 4 -2,-0.9 -27,-2.8 176,-0.2 2,-0.6 0.548 50.3 85.8-108.4 -12.9 -53.0 54.7 21.0 459 121 B V E +q 431 0D 0 -29,-0.2 2,-0.5 176,-0.1 181,-0.3 -0.828 45.8 174.1-101.2 120.9 -50.9 51.6 21.7 460 122 B Q E -q 432 0D 0 -29,-2.4 -27,-2.9 -2,-0.6 2,-0.4 -0.990 21.5-144.3-119.5 126.3 -50.1 48.9 19.2 461 123 B V E -q 433 0D 0 177,-3.2 2,-2.4 -2,-0.5 -27,-0.2 -0.779 19.8-121.1 -94.0 133.2 -47.7 46.1 20.1 462 124 B G + 0 0 0 -29,-3.1 2,-1.5 -2,-0.4 -27,-0.2 -0.127 58.6 139.9 -73.3 45.4 -45.4 44.7 17.4 463 125 B F > + 0 0 4 -2,-2.4 3,-1.5 1,-0.2 -1,-0.1 -0.658 26.9 178.9 -83.7 83.1 -46.5 41.1 17.5 464 126 B M G > + 0 0 5 -2,-1.5 3,-3.5 1,-0.3 4,-0.4 0.691 58.7 87.2 -68.6 -23.2 -46.3 40.8 13.7 465 127 B R G > S+ 0 0 3 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.798 78.8 66.9 -45.2 -28.9 -47.3 37.1 13.5 466 128 B R G < S+ 0 0 26 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.681 101.3 49.1 -72.0 -11.2 -50.9 38.2 13.4 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