==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-JAN-13 4IQ0 . COMPND 2 MOLECULE: OXIDOREDUCTASE, GFO/IDH/MOCA FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR C.CHANG,C.HATZOS-SKINTGES,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CE . 1231 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50668.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 902 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 160 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 75 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 377 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.3 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 6 2 2 0 4 0 5 4 7 8 0 0 0 0 0 0 0 0 0 0 1 3 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 12 0 8 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 4 4 8 0 4 4 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 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 N 0 0 130 0, 0.0 3,-0.1 0, 0.0 274,-0.1 0.000 360.0 360.0 360.0 91.5 8.8 52.8 12.6 2 0 A A - 0 0 80 1,-0.1 2,-0.2 273,-0.1 273,-0.0 -0.225 360.0 -90.1 -76.3 159.0 5.6 52.6 10.6 3 1 A X - 0 0 92 1,-0.1 2,-0.5 25,-0.1 25,-0.2 -0.442 41.7-123.7 -69.4 131.2 2.0 52.8 11.9 4 2 A L E -a 28 0A 12 23,-2.7 25,-2.7 -2,-0.2 2,-0.6 -0.653 14.5-137.2 -83.5 123.4 0.5 49.5 12.9 5 3 A K E -a 29 0A 81 -2,-0.5 61,-2.8 23,-0.2 62,-1.8 -0.696 27.9-155.7 -80.1 122.0 -2.8 48.6 11.1 6 4 A L E -ab 30 67A 0 23,-2.8 25,-2.9 -2,-0.6 26,-1.3 -0.852 16.9-169.1-111.9 131.4 -5.1 47.2 13.8 7 5 A G E -ab 32 68A 0 60,-2.6 62,-2.5 -2,-0.4 2,-0.4 -0.869 15.7-150.5-108.7 150.0 -8.1 44.8 13.6 8 6 A V E -ab 33 69A 0 24,-2.0 26,-2.5 -2,-0.3 2,-0.4 -0.975 15.4-169.8-129.1 134.4 -10.4 44.1 16.6 9 7 A I E +ab 34 70A 5 60,-2.6 62,-2.7 -2,-0.4 26,-0.1 -0.985 64.3 52.6-111.5 131.8 -12.5 41.2 17.7 10 8 A G - 0 0 12 24,-0.8 62,-0.1 -2,-0.4 24,-0.1 0.294 59.7-148.6 108.5 123.7 -14.9 42.0 20.6 11 9 A T + 0 0 52 60,-0.1 2,-0.1 4,-0.1 -1,-0.1 -0.149 56.4 113.3-118.5 36.2 -17.4 44.9 20.7 12 10 A G S >> S- 0 0 34 59,-0.2 4,-1.3 1,-0.0 3,-0.8 -0.445 84.7 -91.6 -98.8 176.2 -17.5 45.8 24.4 13 11 A A H 3> S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.820 122.7 63.5 -59.5 -32.5 -16.3 48.9 26.3 14 12 A I H 3> S+ 0 0 65 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.897 100.1 52.0 -58.4 -40.4 -12.9 47.3 26.8 15 13 A S H <> S+ 0 0 0 -3,-0.8 4,-2.6 1,-0.2 -1,-0.2 0.888 108.5 51.5 -64.8 -38.8 -12.3 47.2 23.1 16 14 A H H X S+ 0 0 22 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.917 110.8 47.8 -60.3 -45.3 -13.1 50.9 23.0 17 15 A H H X S+ 0 0 103 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.904 112.1 49.9 -64.9 -40.8 -10.7 51.6 25.8 18 16 A F H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.935 111.6 47.7 -61.1 -46.2 -8.0 49.6 24.0 19 17 A I H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.937 110.1 52.5 -62.4 -46.2 -8.6 51.4 20.7 20 18 A E H X S+ 0 0 61 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.914 112.0 45.8 -54.0 -47.0 -8.4 54.8 22.4 21 19 A A H X S+ 0 0 13 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.896 112.2 51.4 -63.3 -42.8 -5.1 53.8 24.0 22 20 A A H <>S+ 0 0 0 -4,-2.7 5,-0.8 2,-0.2 6,-0.8 0.934 113.7 43.5 -61.3 -48.3 -3.7 52.5 20.7 23 21 A H H ><5S+ 0 0 12 -4,-3.1 3,-1.5 1,-0.2 -2,-0.2 0.903 111.4 55.1 -62.4 -41.5 -4.7 55.7 18.9 24 22 A T H 3<5S+ 0 0 55 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.836 99.5 60.9 -62.6 -32.9 -3.3 57.9 21.7 25 23 A S T 3<5S- 0 0 38 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.657 101.9-135.6 -67.7 -17.0 0.0 56.1 21.5 26 24 A G T < 5S+ 0 0 33 -3,-1.5 -3,-0.1 -4,-0.4 -2,-0.1 0.545 83.7 93.7 73.8 9.2 0.4 57.4 17.9 27 25 A E S S- 0 0 140 1,-0.1 4,-1.6 -3,-0.1 3,-0.3 -0.931 78.9-150.9 -99.8 123.6 -23.5 40.0 13.4 38 36 A L H > S+ 0 0 74 -2,-0.5 4,-2.0 1,-0.2 -1,-0.1 0.772 97.1 59.9 -64.8 -28.4 -22.4 42.7 10.9 39 37 A E H > S+ 0 0 130 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.914 102.0 53.0 -64.0 -43.9 -24.9 45.1 12.5 40 38 A T H > S+ 0 0 50 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.926 109.4 48.8 -55.0 -47.0 -23.1 44.8 15.8 41 39 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.893 111.8 50.1 -60.2 -41.0 -19.8 45.6 14.1 42 40 A A H X S+ 0 0 45 -4,-2.0 4,-0.6 2,-0.2 -2,-0.2 0.932 111.0 47.5 -63.0 -48.4 -21.5 48.6 12.5 43 41 A T H >< S+ 0 0 104 -4,-3.0 3,-1.2 1,-0.2 4,-0.2 0.944 114.3 46.7 -58.7 -51.8 -23.0 49.9 15.8 44 42 A F H >< S+ 0 0 12 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.910 113.9 49.1 -54.6 -43.8 -19.6 49.5 17.6 45 43 A A H >< S+ 0 0 8 -4,-2.3 3,-1.5 -5,-0.2 -1,-0.2 0.478 78.1 105.2 -79.2 -1.2 -17.8 51.2 14.7 46 44 A S T << S+ 0 0 72 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.1 0.750 81.2 47.7 -56.3 -29.6 -20.1 54.3 14.5 47 45 A R T < S+ 0 0 52 -3,-0.6 -1,-0.3 -4,-0.2 2,-0.2 0.710 105.2 70.3 -83.1 -22.0 -17.7 56.7 16.1 48 46 A Y S < S- 0 0 32 -3,-1.5 2,-0.3 -4,-0.2 3,-0.2 -0.607 75.2-138.1 -96.0 159.1 -14.7 55.6 14.0 49 47 A Q S S+ 0 0 53 -2,-0.2 309,-0.1 1,-0.2 -2,-0.0 -0.890 71.2 12.2-122.4 149.0 -14.4 56.3 10.3 50 48 A N S S+ 0 0 149 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.891 79.8 156.6 55.6 45.4 -13.2 54.3 7.2 51 49 A I - 0 0 28 -3,-0.2 2,-0.4 -6,-0.1 -19,-0.2 -0.885 41.7-131.1-101.6 128.7 -13.3 51.0 9.1 52 50 A Q E -c 32 0A 98 -21,-3.1 -19,-2.2 -2,-0.5 2,-0.4 -0.673 23.8-147.3 -74.4 128.5 -13.7 47.7 7.2 53 51 A L E -c 33 0A 65 -2,-0.4 2,-0.4 -21,-0.2 -19,-0.2 -0.823 13.8-164.8-106.0 137.2 -16.5 45.6 8.7 54 52 A F E +c 34 0A 27 -21,-2.4 -19,-2.5 -2,-0.4 -13,-0.1 -0.978 30.4 168.4-133.0 138.2 -16.4 41.8 8.7 55 53 A D S S+ 0 0 63 -2,-0.4 2,-0.6 -21,-0.2 -1,-0.1 0.395 72.6 76.8-113.1 -14.1 -18.8 39.0 9.3 56 54 A Q > - 0 0 121 1,-0.2 4,-2.3 2,-0.0 5,-0.1 -0.925 66.5-159.3-111.6 112.8 -16.5 36.3 8.0 57 55 A L H > S+ 0 0 51 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.931 88.3 45.4 -64.9 -51.3 -13.8 35.4 10.5 58 56 A E H > S+ 0 0 87 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.816 113.2 52.2 -65.3 -29.3 -11.2 33.8 8.2 59 57 A V H 4 S+ 0 0 81 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.895 107.6 52.7 -71.9 -40.1 -11.6 36.6 5.7 60 58 A F H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 5,-0.3 0.960 109.3 49.3 -54.8 -50.2 -11.0 39.1 8.5 61 59 A F H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.790 109.9 50.8 -64.9 -28.5 -7.8 37.3 9.5 62 60 A K T 3< S+ 0 0 152 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.450 90.0 108.5 -89.6 0.4 -6.6 37.2 5.8 63 61 A S S < S- 0 0 22 -3,-1.5 2,-0.1 -4,-0.5 -3,-0.1 -0.084 87.1 -93.1 -67.9 176.3 -7.2 41.0 5.4 64 62 A S S S+ 0 0 87 2,-0.0 2,-0.1 0, 0.0 -59,-0.1 0.013 81.7 114.5 -93.0 31.0 -4.3 43.5 5.1 65 63 A F - 0 0 8 -5,-0.3 -59,-0.2 1,-0.1 3,-0.1 -0.418 60.3-136.0 -88.8 172.8 -3.9 44.6 8.8 66 64 A D S S+ 0 0 64 -61,-2.8 24,-2.0 1,-0.3 2,-0.3 0.796 75.6 9.8-100.3 -37.7 -0.8 43.9 10.9 67 65 A L E -bd 6 90A 0 -62,-1.8 -60,-2.6 22,-0.2 2,-0.4 -0.990 59.8-141.3-147.3 154.5 -2.2 42.8 14.3 68 66 A V E -bd 7 91A 0 22,-2.6 24,-2.7 -2,-0.3 2,-0.5 -0.956 5.9-149.9-120.8 132.9 -5.4 41.8 15.9 69 67 A Y E -bd 8 92A 0 -62,-2.5 -60,-2.6 -2,-0.4 2,-0.6 -0.912 19.9-157.7 -95.7 125.6 -6.7 42.6 19.4 70 68 A I E +bd 9 93A 0 22,-3.1 24,-2.7 -2,-0.5 -60,-0.2 -0.929 29.8 155.4-115.4 111.8 -8.9 39.8 20.6 71 69 A A + 0 0 20 -62,-2.7 -59,-0.2 -2,-0.6 -56,-0.1 -0.150 32.4 126.3-126.3 36.0 -11.4 40.5 23.3 72 70 A S S S- 0 0 14 1,-0.2 5,-0.1 -62,-0.1 22,-0.1 -0.337 79.8 -63.4 -76.1 169.5 -14.0 37.8 22.6 73 71 A P >> - 0 0 89 0, 0.0 3,-2.3 0, 0.0 4,-0.5 -0.295 54.3-115.8 -53.3 142.7 -15.1 35.4 25.4 74 72 A N H 3> S+ 0 0 26 83,-0.3 4,-0.6 1,-0.3 3,-0.4 0.680 110.6 71.5 -66.8 -15.6 -12.0 33.4 26.4 75 73 A S H 34 S+ 0 0 90 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.740 104.2 43.6 -65.1 -22.8 -13.5 30.1 25.3 76 74 A L H <> S+ 0 0 60 -3,-2.3 4,-2.2 1,-0.1 5,-0.3 0.565 91.0 90.4 -93.0 -12.9 -13.0 31.4 21.7 77 75 A H H X S+ 0 0 5 -4,-0.5 4,-3.4 -3,-0.4 5,-0.3 0.896 82.7 49.9 -54.6 -53.4 -9.5 32.8 22.3 78 76 A F H X S+ 0 0 49 -4,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.911 114.0 43.0 -55.6 -49.6 -7.4 29.8 21.3 79 77 A A H > S+ 0 0 68 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.913 117.9 46.3 -66.7 -40.0 -9.1 29.0 18.0 80 78 A Q H X S+ 0 0 12 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.937 114.1 47.0 -68.3 -45.7 -9.2 32.7 17.0 81 79 A A H X S+ 0 0 0 -4,-3.4 4,-2.7 -5,-0.3 5,-0.2 0.915 110.8 52.4 -61.7 -43.3 -5.6 33.3 18.0 82 80 A K H X S+ 0 0 99 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.909 111.9 45.7 -59.8 -44.3 -4.4 30.2 16.2 83 81 A A H X S+ 0 0 23 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.902 112.4 51.3 -63.7 -44.6 -6.1 31.2 12.9 84 82 A A H <>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 3,-0.3 0.934 113.1 44.2 -59.1 -48.8 -4.8 34.8 13.2 85 83 A L H ><5S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.896 110.6 55.0 -62.8 -40.8 -1.2 33.6 13.7 86 84 A S H 3<5S+ 0 0 61 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.776 106.0 53.2 -64.0 -26.3 -1.7 31.1 10.9 87 85 A A T 3<5S- 0 0 29 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.326 125.6-104.7 -88.5 5.4 -2.7 34.0 8.7 88 86 A G T < 5S+ 0 0 41 -3,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.714 74.8 139.2 80.9 22.3 0.5 35.9 9.6 89 87 A K < - 0 0 19 -5,-2.6 -1,-0.3 -6,-0.2 -22,-0.2 -0.816 53.5-124.4-100.0 138.3 -1.1 38.3 12.0 90 88 A H E -d 67 0A 34 -24,-2.0 -22,-2.6 -2,-0.4 2,-0.4 -0.533 33.8-143.9 -69.0 148.3 0.4 39.4 15.3 91 89 A V E -de 68 118A 0 26,-2.6 28,-3.1 -24,-0.2 2,-0.5 -0.964 23.6-171.7-128.7 133.2 -2.0 38.8 18.2 92 90 A I E -de 69 119A 0 -24,-2.7 -22,-3.1 -2,-0.4 2,-0.5 -0.991 17.6-161.6-113.5 118.2 -2.9 40.5 21.5 93 91 A L E -de 70 120A 0 26,-2.9 28,-3.2 -2,-0.5 4,-0.2 -0.886 17.8-127.1 -99.8 125.4 -5.2 38.4 23.6 94 92 A E E - e 0 121A 14 -24,-2.7 28,-0.1 -2,-0.5 -22,-0.0 -0.361 56.7 -53.3 -66.5 147.8 -7.1 40.2 26.4 95 93 A K S S+ 0 0 30 26,-0.8 -1,-0.1 1,-0.1 -21,-0.1 -0.361 126.7 40.5 -71.8 147.9 -6.7 38.5 29.8 96 94 A P S S- 0 0 8 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.597 77.1-169.8 -74.3 133.2 -7.0 35.7 30.6 97 95 A A + 0 0 0 -4,-0.2 2,-0.3 -20,-0.1 -3,-0.1 0.839 68.4 6.7 -60.5 -37.8 -5.4 34.8 27.3 98 96 A V - 0 0 0 -21,-0.1 -23,-0.1 -5,-0.1 -24,-0.1 -0.885 62.9-130.8-140.2 165.6 -6.3 31.1 27.6 99 97 A S S S+ 0 0 24 -2,-0.3 59,-0.1 1,-0.2 -24,-0.1 0.497 94.8 27.4 -97.1 -9.4 -8.3 28.9 29.9 100 98 A Q S >> S- 0 0 81 1,-0.1 3,-1.1 196,-0.0 4,-0.7 -0.976 80.8-119.0-157.3 143.4 -5.5 26.3 30.3 101 99 A P H >> S+ 0 0 19 0, 0.0 4,-1.5 0, 0.0 3,-0.8 0.784 105.4 61.5 -63.3 -33.6 -1.8 26.5 30.2 102 100 A Q H 3> S+ 0 0 108 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.839 96.5 62.9 -63.6 -31.3 -1.1 24.1 27.3 103 101 A E H <> S+ 0 0 33 -3,-1.1 4,-2.3 2,-0.2 -1,-0.3 0.883 102.2 51.3 -53.8 -41.3 -3.1 26.4 25.0 104 102 A W H S+ 0 0 0 -4,-2.5 5,-3.1 1,-0.2 -2,-0.2 0.908 111.4 47.2 -64.8 -43.7 3.4 32.1 16.4 112 110 A E H ><5S+ 0 0 83 -4,-2.3 3,-1.4 3,-0.2 -1,-0.2 0.911 110.2 52.7 -64.2 -43.7 7.0 31.0 15.9 113 111 A K H 3<5S+ 0 0 176 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.874 116.0 40.1 -59.7 -38.2 6.2 28.9 12.9 114 112 A N T 3<5S- 0 0 47 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.277 111.9-120.0 -94.7 12.5 4.5 31.9 11.3 115 113 A N T < 5 + 0 0 148 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.872 69.8 131.4 44.9 49.1 7.1 34.3 12.5 116 114 A C < - 0 0 13 -5,-3.1 2,-0.3 -6,-0.1 -1,-0.2 -0.876 56.3-116.0-125.0 155.2 4.5 36.3 14.5 117 115 A F - 0 0 23 -2,-0.3 -26,-2.6 -3,-0.1 2,-0.4 -0.716 18.2-162.3 -87.2 140.5 4.2 37.7 18.0 118 116 A I E -e 91 0A 1 -2,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.995 14.1-177.4-119.1 126.5 1.6 36.6 20.6 119 117 A F E -e 92 0A 4 -28,-3.1 -26,-2.9 -2,-0.4 2,-0.5 -0.947 22.7-142.3-121.0 141.3 1.0 38.9 23.6 120 118 A E E -e 93 0A 8 -2,-0.4 2,-2.1 -28,-0.2 -26,-0.2 -0.909 25.4-129.2 -94.5 131.0 -1.3 38.6 26.6 121 119 A A E +e 94 0A 0 -28,-3.2 2,-1.0 -2,-0.5 -26,-0.8 -0.471 45.4 157.3 -81.5 71.6 -2.8 42.0 27.5 122 120 A A > - 0 0 2 -2,-2.1 4,-0.9 1,-0.2 3,-0.3 -0.813 22.8-168.3 -95.5 94.4 -1.9 42.0 31.2 123 121 A R T 4 S+ 0 0 25 -2,-1.0 3,-0.4 1,-0.2 143,-0.2 0.817 78.9 50.3 -63.6 -35.3 -2.0 45.7 31.7 124 122 A N T >4 S+ 0 0 0 1,-0.2 3,-2.1 2,-0.2 6,-0.3 0.895 99.1 65.6 -69.9 -37.6 -0.3 45.8 35.2 125 123 A Y T 34 S+ 0 0 11 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.806 102.3 48.9 -52.3 -36.1 2.7 43.6 34.1 126 124 A H T 3< S+ 0 0 30 -4,-0.9 -1,-0.3 -3,-0.4 2,-0.2 0.339 81.3 123.5 -91.0 4.1 3.9 46.4 31.7 127 125 A E X> - 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0 0 2 1,-0.1 -59,-0.2 -61,-0.1 3,-0.1 -0.263 55.4-140.0 -66.6 157.4 -5.8 36.9 98.2 681 64 C D S S+ 0 0 60 -61,-1.7 24,-1.9 1,-0.2 2,-0.3 0.756 74.1 8.7 -90.0 -33.3 -9.0 36.5 96.1 682 65 C L E -zb 621 705E 0 -62,-1.7 -60,-2.8 22,-0.2 2,-0.4 -0.998 59.6-139.0-154.6 153.4 -7.5 35.9 92.6 683 66 C V E -zb 622 706E 0 22,-2.5 24,-2.6 -2,-0.3 2,-0.5 -0.926 7.4-148.6-118.4 134.8 -4.2 35.3 90.8 684 67 C Y E -zb 623 707E 0 -62,-2.7 -60,-2.8 -2,-0.4 2,-0.6 -0.918 20.2-158.6 -97.3 124.5 -2.9 36.7 87.5 685 68 C I E +zb 624 708E 0 22,-3.2 24,-2.9 -2,-0.5 -60,-0.2 -0.926 30.7 152.4-114.6 111.9 -0.7 34.1 85.8 686 69 C A + 0 0 18 -62,-2.8 -59,-0.3 -2,-0.6 -56,-0.1 -0.227 32.7 126.2-129.0 41.7 1.8 35.2 83.2 687 70 C S S S- 0 0 14 1,-0.2 5,-0.1 -62,-0.2 22,-0.1 -0.340 76.5 -60.6 -83.8 174.3 4.5 32.6 83.5 688 71 C P >> - 0 0 76 0, 0.0 3,-2.1 0, 0.0 4,-0.6 -0.295 56.3-108.1 -58.6 149.7 5.7 30.6 80.5 689 72 C N H >> S+ 0 0 9 1,-0.3 3,-0.9 2,-0.2 4,-0.6 0.769 114.2 63.0 -51.8 -39.1 2.9 28.5 78.8 690 73 C S H 34 S+ 0 0 53 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.732 106.0 46.7 -59.0 -26.3 4.2 25.1 80.0 691 74 C L H <> S+ 0 0 61 -3,-2.1 4,-2.2 1,-0.1 5,-0.3 0.593 89.6 85.4 -92.8 -13.9 3.6 26.1 83.6 692 75 C H H S+ 0 0 65 -4,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.939 119.6 45.8 -64.5 -46.7 -0.2 23.1 86.8 695 78 C Q H X S+ 0 0 5 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.923 116.2 44.6 -64.7 -45.4 -0.2 26.6 88.4 696 79 C A H X S+ 0 0 0 -4,-3.2 4,-2.6 -5,-0.3 5,-0.2 0.911 113.5 50.0 -66.5 -43.2 -3.8 27.4 87.4 697 80 C K H X S+ 0 0 75 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.920 112.9 47.9 -60.8 -43.2 -5.0 23.9 88.5 698 81 C A H X S+ 0 0 33 -4,-2.7 4,-1.2 -5,-0.2 -2,-0.2 0.913 111.1 51.5 -60.1 -43.8 -3.2 24.4 91.8 699 82 C A H <>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 3,-0.3 0.919 111.5 45.7 -59.5 -47.0 -4.8 27.9 92.1 700 83 C L H ><5S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.814 109.7 54.5 -68.1 -33.8 -8.3 26.7 91.5 701 84 C S H 3<5S+ 0 0 69 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.733 106.2 54.0 -70.6 -23.3 -7.9 23.7 93.9 702 85 C A T 3<5S- 0 0 44 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.224 124.9-105.0 -92.6 12.1 -6.8 26.3 96.5 703 86 C G T < 5S+ 0 0 40 -3,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.692 74.5 139.5 73.7 21.1 -10.1 28.3 96.0 704 87 C K < - 0 0 22 -5,-2.7 -1,-0.2 -6,-0.2 -22,-0.2 -0.789 52.8-125.9 -98.6 139.7 -8.5 31.1 94.0 705 88 C H E -b 682 0E 33 -24,-1.9 -22,-2.5 -2,-0.4 2,-0.4 -0.506 33.4-144.0 -68.3 151.2 -10.0 32.7 90.9 706 89 C V E -bc 683 733E 0 26,-2.3 28,-2.5 -24,-0.2 2,-0.5 -0.978 24.0-170.0-130.5 133.6 -7.6 32.7 88.0 707 90 C I E -bc 684 734E 0 -24,-2.6 -22,-3.2 -2,-0.4 2,-0.6 -0.983 19.8-162.1-113.1 114.7 -6.7 35.0 85.1 708 91 C L E -bc 685 735E 0 26,-3.1 28,-3.2 -2,-0.5 4,-0.2 -0.869 15.6-130.4 -99.1 123.4 -4.4 33.2 82.6 709 92 C E E - c 0 736E 13 -24,-2.9 28,-0.1 -2,-0.6 -22,-0.1 -0.358 54.3 -52.8 -66.6 149.1 -2.4 35.3 80.2 710 93 C K S S+ 0 0 28 26,-0.7 -1,-0.1 1,-0.1 -21,-0.1 -0.377 126.2 39.9 -72.5 148.2 -2.7 34.1 76.6 711 94 C P S S- 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.604 77.3-170.4 -74.4 134.5 -2.3 31.5 75.3 712 95 C A + 0 0 0 -4,-0.2 2,-0.3 1,-0.1 -3,-0.1 0.840 66.4 10.9 -63.0 -37.2 -4.0 30.1 78.4 713 96 C V - 0 0 5 -21,-0.1 -23,-0.1 -5,-0.1 -24,-0.1 -0.925 65.9-124.9-139.2 160.3 -3.1 26.4 77.7 714 97 C S S S+ 0 0 25 -2,-0.3 -24,-0.1 -25,-0.2 -1,-0.1 0.739 94.9 9.4 -75.9 -22.8 -0.9 24.4 75.3 715 98 C Q S >> S- 0 0 75 1,-0.1 3,-1.4 -3,-0.0 4,-0.8 -0.995 79.1-102.8-161.7 154.6 -3.9 22.3 74.1 716 99 C P H >> S+ 0 0 21 0, 0.0 4,-1.4 0, 0.0 3,-1.0 0.781 110.7 60.4 -51.9 -44.6 -7.7 22.1 74.2 717 100 C Q H 3> S+ 0 0 118 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.816 99.4 58.6 -56.7 -35.1 -8.1 19.3 76.8 718 101 C E H <> S+ 0 0 30 -3,-1.4 4,-2.0 2,-0.2 -1,-0.3 0.857 102.2 54.4 -62.6 -35.0 -6.2 21.3 79.4 719 102 C W H S+ 0 0 0 -4,-2.9 5,-2.7 2,-0.2 3,-0.3 0.939 112.2 42.9 -60.6 -51.0 -13.0 25.6 88.5 727 110 C E H ><5S+ 0 0 109 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.904 111.7 55.6 -62.1 -43.2 -16.6 24.5 88.8 728 111 C K H 3<5S+ 0 0 181 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.809 114.6 39.4 -59.6 -32.8 -15.7 21.9 91.4 729 112 C N T 3<5S- 0 0 52 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.224 110.7-116.4-104.8 13.2 -14.1 24.6 93.6 730 113 C N T < 5S+ 0 0 152 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.868 73.2 129.2 54.0 42.0 -16.8 27.3 92.9 731 114 C C < - 0 0 12 -5,-2.7 2,-0.3 -6,-0.1 -1,-0.2 -0.851 56.9-117.3-125.9 159.6 -14.2 29.6 91.2 732 115 C F - 0 0 24 -2,-0.3 -26,-2.3 -3,-0.1 2,-0.4 -0.742 17.2-163.2 -95.3 141.4 -13.8 31.5 87.9 733 116 C I E -c 706 0E 1 -2,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.998 13.7-179.2-121.9 126.1 -11.2 30.9 85.2 734 117 C F E -c 707 0E 5 -28,-2.5 -26,-3.1 -2,-0.4 2,-0.5 -0.967 23.7-141.0-122.4 140.8 -10.6 33.6 82.6 735 118 C E E -c 708 0E 8 -2,-0.4 2,-2.1 -28,-0.2 -26,-0.2 -0.889 27.3-126.9 -93.2 131.4 -8.2 33.7 79.6 736 119 C A E +c 709 0E 0 -28,-3.2 2,-1.1 -2,-0.5 -26,-0.7 -0.477 45.7 158.8 -82.3 72.0 -6.8 37.2 79.3 737 120 C A > - 0 0 2 -2,-2.1 4,-0.8 1,-0.2 3,-0.5 -0.787 20.9-169.5 -94.3 90.9 -7.7 37.9 75.7 738 121 C R T 4 S+ 0 0 22 -2,-1.1 3,-0.3 1,-0.2 148,-0.2 0.783 78.1 50.8 -63.8 -32.4 -7.5 41.7 75.9 739 122 C N T >4 S+ 0 0 0 1,-0.2 3,-2.1 2,-0.2 6,-0.3 0.901 99.3 65.8 -71.9 -36.7 -9.1 42.4 72.5 740 123 C Y T 34 S+ 0 0 11 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.787 101.8 49.1 -53.4 -34.1 -12.2 40.2 73.1 741 124 C H T 3< S+ 0 0 28 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.376 80.9 123.7 -92.1 3.6 -13.4 42.5 75.9 742 125 C E X> - 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0 0 76 0, 0.0 2,-0.5 0, 0.0 -4,-0.1 -0.170 19.6-175.5 -54.0 125.8 -21.7 37.3 88.5 898 292 C D > - 0 0 78 1,-0.1 4,-1.9 -5,-0.1 5,-0.1 -0.918 10.0-174.3-114.9 99.2 -23.4 37.0 85.1 899 293 C L H > S+ 0 0 106 -2,-0.5 4,-2.2 1,-0.2 5,-0.1 0.814 76.9 55.0 -73.7 -33.3 -23.1 33.2 84.7 900 294 C N H > S+ 0 0 135 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.929 110.7 46.8 -60.8 -46.8 -24.5 32.9 81.1 901 295 C L H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.880 109.6 55.1 -62.3 -40.3 -22.0 35.5 79.9 902 296 C Y H X S+ 0 0 13 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.905 106.1 50.8 -57.6 -43.7 -19.2 33.6 81.8 903 297 C Q H X S+ 0 0 89 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.842 107.3 54.6 -65.4 -32.0 -20.1 30.4 80.0 904 298 C T H X S+ 0 0 67 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.933 107.3 49.8 -63.9 -46.4 -19.9 32.3 76.7 905 299 C W H X S+ 0 0 31 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.928 112.9 47.4 -56.2 -47.2 -16.4 33.4 77.6 906 300 C L H X S+ 0 0 5 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.911 113.1 47.5 -60.5 -45.3 -15.5 29.8 78.4 907 301 C Y H X S+ 0 0 144 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.905 111.7 49.8 -66.1 -43.5 -17.0 28.5 75.2 908 302 C D H X S+ 0 0 19 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.896 108.9 51.6 -63.6 -42.5 -15.3 31.1 73.0 909 303 C A H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.931 109.9 51.4 -58.9 -43.3 -11.9 30.4 74.6 910 304 C G H X S+ 0 0 6 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.899 108.4 51.1 -58.2 -43.3 -12.5 26.7 73.8 911 305 C S H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.931 109.9 49.2 -61.1 -46.5 -13.3 27.7 70.2 912 306 C V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.916 112.3 48.4 -58.8 -44.2 -10.1 29.7 69.8 913 307 C H H X S+ 0 0 8 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.853 108.4 53.8 -67.4 -35.5 -8.0 26.8 71.3 914 308 C E H X S+ 0 0 75 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.923 111.1 46.5 -62.5 -45.7 -9.6 24.3 69.0 915 309 C L H X S+ 0 0 7 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.895 110.8 51.6 -63.1 -44.4 -8.7 26.5 66.0 916 310 C L H X S+ 0 0 7 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.901 110.4 49.4 -59.2 -41.8 -5.1 27.0 67.2 917 311 C Y H X S+ 0 0 89 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.921 113.8 45.2 -66.4 -45.1 -4.7 23.2 67.6 918 312 C T H X S+ 0 0 42 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.943 113.9 49.4 -60.0 -49.5 -6.0 22.5 64.1 919 313 C X H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.888 107.7 53.9 -63.3 -40.6 -4.0 25.3 62.5 920 314 C R H <>S+ 0 0 44 -4,-2.6 5,-2.5 -5,-0.2 4,-0.4 0.917 111.2 46.5 -56.9 -43.8 -0.8 24.1 64.2 921 315 C Q H ><5S+ 0 0 117 -4,-1.7 3,-1.0 1,-0.2 -2,-0.2 0.891 109.8 51.3 -68.7 -40.7 -1.4 20.6 62.7 922 316 C T H 3<5S+ 0 0 65 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.838 112.4 48.1 -67.0 -30.9 -2.2 21.8 59.2 923 317 C A T 3<5S- 0 0 10 -4,-1.9 -117,-0.3 -5,-0.2 -1,-0.3 0.526 111.8-122.6 -84.2 -6.5 1.0 23.9 59.2 924 318 C G T < 5 + 0 0 36 -3,-1.0 2,-0.9 -4,-0.4 -3,-0.2 0.895 49.3 164.4 65.0 42.0 3.1 20.9 60.6 925 319 C I < 0 0 2 -5,-2.5 -1,-0.2 -6,-0.1 -113,-0.1 -0.832 360.0 360.0 -93.4 106.9 4.3 22.8 63.6 926 320 C R 0 0 108 -2,-0.9 -113,-0.1 -115,-0.3 -5,-0.0 -0.998 360.0 360.0-157.8 360.0 5.6 20.0 65.8 927 !* 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 0.0 928 0 D A 0 0 125 0, 0.0 2,-0.0 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0 68.6 -7.5 71.4 100.6 929 1 D X - 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0 0 25 -6,-0.2 -1,-0.2 -3,-0.2 -19,-0.2 -0.704 33.1-125.5 -82.5 126.6 -26.7 73.4 101.1 978 50 D Q E -m 958 0G 120 -21,-1.9 -19,-2.1 -2,-0.5 2,-0.3 -0.481 22.5-142.4 -77.6 142.9 -27.3 76.8 102.7 979 51 D L E -m 959 0G 56 -21,-0.2 2,-0.4 -2,-0.2 -19,-0.2 -0.787 15.6-173.5-112.1 147.7 -29.5 79.2 100.9 980 52 D F E +m 960 0G 30 -21,-1.9 -19,-2.1 -2,-0.3 3,-0.1 -0.999 20.0 177.1-140.2 134.8 -29.2 83.0 100.6 981 53 D D S S+ 0 0 58 -2,-0.4 2,-0.5 -21,-0.2 -1,-0.1 0.299 74.4 71.3-116.8 7.3 -31.5 85.6 99.1 982 54 D Q >> - 0 0 111 1,-0.1 4,-2.5 0, 0.0 3,-0.8 -0.982 68.9-153.4-121.1 119.1 -29.3 88.6 100.0 983 55 D L H 3> S+ 0 0 43 -2,-0.5 4,-2.5 1,-0.3 5,-0.1 0.824 95.5 57.5 -60.8 -33.4 -26.1 88.9 98.0 984 56 D E H 3> S+ 0 0 146 2,-0.2 4,-0.6 1,-0.2 -1,-0.3 0.827 110.0 42.6 -67.6 -33.0 -24.4 90.7 100.9 985 57 D V H X> S+ 0 0 81 -3,-0.8 4,-1.1 2,-0.2 3,-0.6 0.913 112.0 56.3 -77.2 -44.7 -25.0 87.8 103.3 986 58 D F H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.939 108.9 45.7 -43.7 -56.9 -24.1 85.3 100.6 987 59 D F H 3< S+ 0 0 13 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.631 108.9 54.7 -75.3 -14.5 -20.6 87.0 100.1 988 60 D K H << S+ 0 0 168 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.621 90.9 98.3 -85.7 -15.6 -19.9 87.3 103.9 989 61 D S S << S- 0 0 26 -4,-1.1 2,-1.3 -3,-1.1 -31,-0.0 -0.211 91.1 -93.7 -68.1 164.2 -20.5 83.5 104.2 990 62 D S S S+ 0 0 89 -33,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.677 73.8 119.8 -90.2 89.8 -17.5 81.1 104.3 991 63 D F - 0 0 5 -2,-1.3 -59,-0.2 -4,-0.2 3,-0.1 -0.940 53.5-140.0-136.5 166.7 -16.8 79.8 100.8 992 64 D D S S+ 0 0 66 -61,-2.2 24,-2.0 -2,-0.3 2,-0.3 0.825 77.4 8.4 -95.1 -39.2 -13.7 80.2 98.7 993 65 D L E -ln 9321016G 0 -62,-1.8 -60,-2.6 22,-0.2 2,-0.4 -0.989 59.9-139.4-146.8 155.1 -15.1 80.8 95.2 994 66 D V E -ln 9331017G 0 22,-2.4 24,-2.8 -2,-0.3 2,-0.5 -0.938 6.9-149.1-117.9 134.3 -18.4 81.5 93.4 995 67 D Y E -ln 9341018G 0 -62,-2.3 -60,-2.8 -2,-0.4 2,-0.6 -0.920 20.1-157.7 -95.0 124.1 -19.6 80.1 90.1 996 68 D I E +ln 9351019G 0 22,-3.3 24,-2.7 -2,-0.5 -60,-0.2 -0.912 31.4 152.1-115.8 109.3 -21.8 82.7 88.5 997 69 D A + 0 0 18 -62,-3.0 -59,-0.3 -2,-0.6 -56,-0.1 -0.174 32.6 126.1-126.2 36.2 -24.3 81.5 85.8 998 70 D S S S- 0 0 15 1,-0.2 5,-0.1 -62,-0.2 22,-0.1 -0.211 77.2 -59.1 -77.0 177.0 -26.9 84.2 86.2 999 71 D P >> - 0 0 75 0, 0.0 3,-1.7 0, 0.0 4,-0.7 -0.329 56.4-109.8 -59.5 150.2 -28.1 86.2 83.2 1000 72 D N H >> S+ 0 0 8 1,-0.3 3,-1.0 85,-0.2 4,-0.6 0.804 113.3 62.8 -53.5 -39.2 -25.3 88.2 81.4 1001 73 D S H 34 S+ 0 0 54 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.772 106.0 46.5 -59.4 -29.2 -26.5 91.6 82.5 1002 74 D L H <> S+ 0 0 75 -3,-1.7 4,-2.2 1,-0.2 5,-0.3 0.621 88.7 88.0 -88.0 -16.6 -26.0 90.7 86.2 1003 75 D H H S+ 0 0 65 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.905 119.0 46.9 -66.2 -42.2 -22.1 93.6 89.5 1006 78 D Q H X S+ 0 0 14 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.919 114.5 47.0 -65.7 -42.4 -22.2 90.1 91.0 1007 79 D A H X S+ 0 0 0 -4,-3.3 4,-2.4 -5,-0.3 5,-0.2 0.922 112.4 49.2 -64.8 -45.0 -18.6 89.4 90.0 1008 80 D K H X S+ 0 0 80 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.896 112.0 48.9 -62.1 -41.3 -17.3 92.8 91.2 1009 81 D A H X S+ 0 0 37 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.894 110.9 50.8 -64.7 -42.3 -19.1 92.2 94.6 1010 82 D A H <>S+ 0 0 0 -4,-2.2 5,-3.0 2,-0.2 -2,-0.2 0.907 113.0 44.4 -61.6 -45.7 -17.7 88.7 94.9 1011 83 D L H ><5S+ 0 0 0 -4,-2.4 3,-2.3 3,-0.2 -2,-0.2 0.922 110.8 54.5 -65.8 -42.6 -14.1 89.9 94.3 1012 84 D S H 3<5S+ 0 0 66 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.785 107.4 51.9 -62.2 -27.3 -14.5 92.9 96.6 1013 85 D A T 3<5S- 0 0 46 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.295 125.6-105.8 -88.0 7.2 -15.6 90.3 99.3 1014 86 D G T < 5S+ 0 0 38 -3,-2.3 2,-0.4 1,-0.3 -3,-0.2 0.742 74.0 138.7 74.7 25.4 -12.4 88.3 98.6 1015 87 D K < - 0 0 27 -5,-3.0 -1,-0.3 -6,-0.1 -22,-0.2 -0.822 54.0-123.7 -99.7 141.0 -14.0 85.5 96.7 1016 88 D H E -n 993 0G 33 -24,-2.0 -22,-2.4 -2,-0.4 2,-0.4 -0.490 34.0-143.5 -69.6 153.2 -12.5 83.9 93.6 1017 89 D V E -no 9941044G 0 26,-2.3 28,-2.5 -24,-0.2 2,-0.5 -0.988 22.5-168.9-131.9 131.4 -14.9 84.0 90.7 1018 90 D I E -no 9951045G 0 -24,-2.8 -22,-3.3 -2,-0.4 2,-0.5 -0.984 18.7-161.8-109.8 116.4 -15.8 81.7 87.8 1019 91 D L E -no 9961046G 0 26,-3.2 28,-3.3 -2,-0.5 4,-0.2 -0.872 15.0-130.6-101.0 124.5 -18.0 83.5 85.3 1020 92 D E E - o 01047G 19 -24,-2.7 28,-0.1 -2,-0.5 -22,-0.0 -0.436 53.2 -50.9 -70.5 147.1 -20.0 81.4 82.8 1021 93 D K S S+ 0 0 20 26,-0.7 -1,-0.1 1,-0.1 -21,-0.1 -0.279 127.8 37.4 -60.7 143.3 -19.8 82.4 79.2 1022 94 D P S S- 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.597 79.0-171.2 -75.8 133.0 -20.2 85.1 78.0 1023 95 D A + 0 0 0 -4,-0.2 2,-0.3 1,-0.1 -3,-0.1 0.884 64.9 14.1 -63.8 -42.3 -18.5 86.5 81.1 1024 96 D V - 0 0 1 1,-0.1 -23,-0.1 -21,-0.1 -24,-0.1 -0.905 64.2-129.5-132.8 157.7 -19.2 90.2 80.4 1025 97 D S S S+ 0 0 29 -2,-0.3 -1,-0.1 -25,-0.3 -24,-0.1 0.841 94.4 15.4 -72.9 -35.2 -21.5 92.2 78.2 1026 98 D Q S >> S- 0 0 77 1,-0.1 3,-1.8 -3,-0.0 4,-0.7 -0.999 79.3-110.2-149.3 150.0 -18.6 94.4 77.0 1027 99 D P H >> S+ 0 0 24 0, 0.0 4,-1.3 0, 0.0 3,-0.8 0.730 109.4 58.3 -52.3 -40.7 -14.8 94.4 77.0 1028 100 D Q H 3> S+ 0 0 114 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.809 98.4 61.8 -64.4 -28.8 -14.1 97.2 79.4 1029 101 D E H <> S+ 0 0 28 -3,-1.8 4,-2.3 1,-0.2 -1,-0.3 0.872 101.0 54.5 -61.9 -36.4 -16.1 95.4 82.1 1030 102 D W H S+ 0 0 0 -4,-2.5 5,-3.1 2,-0.2 -2,-0.2 0.886 111.8 47.6 -64.1 -42.3 -9.4 90.9 91.4 1038 110 D E H ><5S+ 0 0 121 -4,-2.5 3,-1.0 3,-0.2 -1,-0.2 0.889 110.6 52.5 -62.9 -43.1 -5.8 92.1 91.7 1039 111 D K H 3<5S+ 0 0 171 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.809 116.0 40.2 -63.7 -33.1 -6.7 94.6 94.4 1040 112 D N T 3<5S- 0 0 44 -4,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.259 110.5-118.6-101.6 11.8 -8.4 91.8 96.4 1041 113 D N T < 5S+ 0 0 152 -3,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.874 71.6 129.3 54.0 41.9 -5.7 89.2 95.7 1042 114 D C < - 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