==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-MAR-12 4AOY . COMPND 2 MOLECULE: ISOCITRATE DEHYDROGENASE [NADP]; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR H.-K.S.LEIROS,A.-E.FEDOY,I.LEIROS,I.H.STEEN . 1494 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 62771.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1174 78.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 150 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 173 11.6 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 0.5 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 . 2 0.1 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 . 124 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 549 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 44 2.9 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 1 8 3 1 9 0 0 3 5 6 0 3 3 4 6 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 5 12 7 7 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 4 1 7 4 1 4 3 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 . 7 0 4 0 0 0 0 0 4 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 S 0 0 171 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 43.0 17.3 7.0 19.7 2 3 A K - 0 0 97 1,-0.1 32,-0.3 32,-0.0 31,-0.1 -0.588 360.0 -84.7 -75.8 156.4 17.6 5.1 22.9 3 4 A I E -a 34 0A 34 30,-3.1 32,-3.0 -2,-0.2 2,-0.4 -0.392 47.9-135.4 -63.5 139.2 20.0 6.7 25.4 4 5 A K E -a 35 0A 127 30,-0.2 2,-0.2 -2,-0.1 323,-0.1 -0.821 13.0-148.3-102.3 141.0 23.6 5.6 24.7 5 6 A M - 0 0 23 30,-0.7 314,-0.0 -2,-0.4 31,-0.0 -0.569 7.9-165.2-101.3 166.5 26.0 4.6 27.4 6 7 A K S S+ 0 0 144 1,-0.6 -1,-0.2 -2,-0.2 313,-0.1 0.595 73.4 24.2-116.4 -91.4 29.8 5.1 27.5 7 8 A V S S- 0 0 43 311,-0.2 -1,-0.6 1,-0.1 30,-0.2 -0.598 93.5-109.7 -80.1 141.8 31.6 3.1 30.1 8 9 A P - 0 0 18 0, 0.0 60,-0.3 0, 0.0 30,-0.3 -0.314 20.7-122.5 -72.2 154.5 29.6 0.0 31.2 9 10 A L E -b 38 0B 0 28,-2.4 30,-2.3 58,-0.1 2,-0.7 -0.667 27.7-118.0 -82.6 145.5 28.0 -0.4 34.6 10 11 A V E -bc 39 69B 0 58,-2.6 60,-2.6 -2,-0.3 2,-0.6 -0.854 37.6-162.9 -79.9 115.0 29.2 -3.5 36.5 11 12 A E E -bc 40 70B 4 28,-2.6 30,-3.2 -2,-0.7 2,-0.6 -0.890 9.2-168.3-107.3 122.5 25.9 -5.5 36.8 12 13 A M E -bc 41 71B 0 58,-2.8 60,-2.8 -2,-0.6 30,-0.2 -0.898 10.4-147.3-118.2 118.0 25.7 -8.2 39.4 13 14 A D E -b 42 0B 15 28,-2.4 30,-1.5 -2,-0.6 2,-0.1 -0.348 19.5-166.6 -77.5 156.5 22.7 -10.6 39.3 14 15 A G - 0 0 0 29,-0.2 2,-0.3 28,-0.1 60,-0.2 -0.218 16.4 -58.3-128.4-144.8 21.3 -12.2 42.4 15 16 A D >> - 0 0 9 58,-2.4 4,-1.0 29,-0.1 3,-0.8 -0.766 66.9 -35.1-120.0 147.0 19.0 -14.8 43.9 16 17 A E H 3> S- 0 0 94 -2,-0.3 4,-1.3 1,-0.2 3,-0.2 -0.167 117.9 -2.1 65.3-131.7 15.5 -16.2 43.9 17 18 A M H 3> S+ 0 0 91 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.893 131.1 57.4 -70.1 -40.1 12.6 -13.8 43.6 18 19 A T H <> S+ 0 0 46 -3,-0.8 4,-2.6 1,-0.3 -1,-0.2 0.842 102.1 56.7 -60.8 -33.2 14.8 -10.6 43.5 19 20 A R H X S+ 0 0 85 -4,-1.0 4,-1.7 -3,-0.2 -1,-0.3 0.903 106.8 50.8 -59.9 -43.1 16.6 -12.1 40.4 20 21 A I H X S+ 0 0 59 -4,-1.3 4,-2.3 -3,-0.3 -2,-0.2 0.964 112.8 44.6 -59.4 -50.0 13.1 -12.3 38.8 21 22 A I H X S+ 0 0 10 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.871 106.1 61.1 -61.6 -38.3 12.4 -8.7 39.7 22 23 A W H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.944 110.3 40.7 -56.9 -47.9 15.8 -7.5 38.5 23 24 A R H X S+ 0 0 123 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.907 112.0 55.8 -66.1 -45.2 15.1 -8.8 35.0 24 25 A L H X S+ 0 0 17 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.872 107.8 49.6 -54.1 -41.0 11.5 -7.6 35.1 25 26 A I H X>S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-1.3 0.926 111.1 48.9 -65.6 -47.2 12.8 -4.0 35.9 26 27 A K H X>S+ 0 0 27 -4,-2.0 5,-2.6 -5,-0.2 4,-0.7 0.945 115.5 44.2 -55.7 -53.0 15.3 -4.1 33.0 27 28 A E H <5S+ 0 0 85 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.883 124.7 31.1 -60.1 -45.9 12.7 -5.4 30.5 28 29 A N H <5S+ 0 0 12 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.724 134.2 19.6 -92.8 -23.8 9.9 -3.0 31.5 29 30 A L H <5S+ 0 0 2 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.718 125.8 30.0-118.1 -36.2 11.7 0.2 32.7 30 31 A L T >X - 0 0 3 -30,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.135 69.0-112.5 -44.1 152.7 23.4 -16.0 42.1 45 46 A L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.900 116.1 55.2 -68.3 -38.0 24.2 -18.6 44.7 46 47 A E H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.939 111.7 44.7 -57.2 -48.0 24.4 -21.4 42.2 47 48 A N H > S+ 0 0 39 2,-0.2 4,-1.8 1,-0.2 6,-0.3 0.836 109.1 54.2 -70.9 -33.1 27.1 -19.5 40.2 48 49 A R H X>S+ 0 0 0 -4,-2.2 5,-3.3 2,-0.2 4,-0.7 0.941 112.4 46.0 -60.2 -45.3 29.1 -18.4 43.3 49 50 A D H ><5S+ 0 0 21 -4,-2.4 3,-1.0 3,-0.2 -2,-0.2 0.953 111.5 51.2 -60.7 -49.2 29.3 -22.1 44.2 50 51 A K H 3<5S+ 0 0 107 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.796 119.2 35.8 -59.7 -32.8 30.2 -23.1 40.7 51 52 A T H ><5S- 0 0 47 -4,-1.8 3,-1.3 -5,-0.1 -1,-0.3 0.391 111.6-119.4-100.0 -0.0 33.0 -20.6 40.5 52 53 A E T <<5S- 0 0 109 -3,-1.0 -3,-0.2 -4,-0.7 -4,-0.1 0.891 70.2 -59.9 56.7 39.9 33.9 -21.1 44.2 53 54 A D T >> + 0 0 85 -3,-1.3 4,-2.5 -6,-0.3 5,-0.2 0.858 69.8 65.4 -61.6 -35.2 35.8 -16.1 42.4 55 56 A V H 3> S+ 0 0 12 -8,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.858 100.3 50.5 -55.4 -34.8 32.9 -14.5 40.5 56 57 A T H <> S+ 0 0 0 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.935 109.2 48.1 -71.8 -48.3 32.3 -12.3 43.5 57 58 A I H X S+ 0 0 44 -4,-1.3 4,-2.4 1,-0.2 -2,-0.2 0.893 111.3 52.0 -54.7 -43.5 35.9 -11.2 43.8 58 59 A D H X S+ 0 0 59 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.899 105.4 54.5 -65.5 -39.5 36.0 -10.4 40.0 59 60 A A H X S+ 0 0 0 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.932 108.7 49.6 -59.6 -43.6 32.9 -8.2 40.2 60 61 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 3,-0.3 0.940 110.5 48.8 -63.3 -47.3 34.5 -6.2 42.9 61 62 A R H X S+ 0 0 142 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.818 108.4 55.3 -59.6 -31.9 37.7 -5.8 40.8 62 63 A A H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 5,-0.4 0.828 104.7 52.9 -68.8 -35.3 35.5 -4.8 37.9 63 64 A I H X S+ 0 0 0 -4,-1.8 4,-1.6 -3,-0.3 231,-0.2 0.861 107.2 51.6 -67.8 -35.4 34.0 -2.1 40.0 64 65 A Q H < S+ 0 0 78 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.846 113.5 48.4 -62.4 -31.2 37.5 -0.8 40.8 65 66 A K H < S+ 0 0 145 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.903 124.9 21.2 -81.6 -41.4 38.0 -0.8 37.2 66 67 A Y H < S- 0 0 48 -4,-2.4 -3,-0.2 -5,-0.0 -2,-0.2 0.820 96.6-122.5-101.9 -38.5 34.9 1.0 35.8 67 68 A G S < S+ 0 0 6 -4,-1.6 227,-2.9 -5,-0.4 2,-0.4 -0.010 76.7 59.1 125.5 -29.1 33.7 3.0 38.8 68 69 A V E - d 0 294B 0 -60,-0.3 -58,-2.6 -6,-0.2 2,-0.3 -0.989 48.9-178.7-143.7 135.9 30.1 1.9 39.4 69 70 A G E -cd 10 295B 0 225,-2.1 227,-3.0 -2,-0.4 2,-0.4 -0.929 11.6-159.6-129.5 150.5 28.2 -1.3 40.1 70 71 A V E -cd 11 296B 0 -60,-2.6 -58,-2.8 -2,-0.3 2,-0.4 -1.000 20.7-167.8-128.8 129.6 24.6 -2.1 40.6 71 72 A K E -cd 12 297B 1 225,-2.8 227,-0.6 -2,-0.4 -58,-0.2 -0.970 15.5-137.4-130.9 137.0 23.9 -5.4 42.5 72 73 A C - 0 0 2 -60,-2.8 -53,-0.1 -2,-0.4 -29,-0.0 -0.492 45.9 -81.3 -85.5 155.8 20.8 -7.5 43.1 73 74 A A - 0 0 36 -2,-0.2 -58,-2.4 -59,-0.1 2,-0.3 -0.280 52.3-161.5 -61.8 140.2 20.0 -9.0 46.5 74 75 A T - 0 0 24 -60,-0.2 2,-0.6 -3,-0.1 -30,-0.1 -0.749 18.8-110.9-119.5 164.8 21.9 -12.2 47.2 75 76 A I - 0 0 12 -2,-0.3 -59,-0.0 6,-0.0 -2,-0.0 -0.891 17.8-151.3 -94.3 123.3 21.6 -15.2 49.6 76 77 A T - 0 0 76 -2,-0.6 5,-0.1 17,-0.1 17,-0.1 -0.880 31.5-124.8 -82.1 115.4 24.2 -15.5 52.3 77 78 A P + 0 0 8 0, 0.0 2,-0.2 0, 0.0 16,-0.1 -0.337 35.3 172.5 -67.4 139.6 24.3 -19.2 52.9 78 79 A N > - 0 0 68 -2,-0.1 4,-1.7 0, 0.0 3,-0.3 -0.618 56.4 -70.7-124.5-169.9 23.7 -20.7 56.4 79 80 A A H > S+ 0 0 63 1,-0.2 4,-0.9 -2,-0.2 3,-0.4 0.911 133.2 50.5 -51.0 -50.3 23.3 -24.3 57.5 80 81 A Q H > S+ 0 0 144 1,-0.2 4,-1.5 2,-0.2 3,-0.4 0.885 109.8 50.6 -54.8 -43.5 19.9 -24.6 55.9 81 82 A R H > S+ 0 0 56 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.771 95.0 69.9 -70.3 -33.2 21.1 -23.2 52.5 82 83 A V H <>S+ 0 0 46 -4,-1.7 5,-3.0 -3,-0.4 -1,-0.2 0.917 107.0 38.1 -51.6 -45.9 24.1 -25.6 52.2 83 84 A E H ><5S+ 0 0 161 -4,-0.9 3,-1.1 -3,-0.4 -1,-0.2 0.891 108.0 60.5 -76.2 -45.5 21.8 -28.5 51.6 84 85 A E H 3<5S+ 0 0 120 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.856 124.7 22.7 -48.9 -38.2 19.1 -26.8 49.5 85 86 A Y T 3<5S- 0 0 66 -4,-1.7 -1,-0.3 -40,-0.0 -2,-0.2 0.230 104.3-120.1-115.1 13.7 21.9 -26.0 46.9 86 87 A N T < 5 - 0 0 136 -3,-1.1 -3,-0.2 1,-0.1 -4,-0.1 0.951 41.9-165.1 42.1 61.8 24.5 -28.7 47.8 87 88 A L < - 0 0 17 -5,-3.0 -1,-0.1 -6,-0.2 3,-0.1 -0.471 21.9-147.9 -75.8 149.9 27.1 -26.0 48.6 88 89 A K S S+ 0 0 120 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.721 80.5 4.1 -90.0 -22.2 30.8 -27.1 48.8 89 90 A K S S- 0 0 132 -7,-0.0 2,-1.3 3,-0.0 -1,-0.2 -0.924 84.9 -93.1-146.1 172.4 31.5 -24.5 51.5 90 91 A M - 0 0 114 -2,-0.3 -11,-0.1 -3,-0.1 -8,-0.0 -0.388 52.3-150.8 -82.9 59.8 29.8 -21.8 53.6 91 92 A W - 0 0 24 -2,-1.3 -42,-0.1 1,-0.1 -38,-0.0 0.097 17.9-111.3 -35.6 132.5 30.6 -19.1 51.0 92 93 A K - 0 0 84 1,-0.2 5,-0.1 -16,-0.1 -1,-0.1 -0.270 45.1 -74.1 -64.1 149.8 30.9 -15.7 52.8 93 94 A S > - 0 0 33 1,-0.1 4,-1.6 -17,-0.1 -1,-0.2 -0.215 38.1-143.1 -38.7 126.2 28.5 -12.9 52.3 94 95 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.913 102.3 54.9 -63.9 -45.1 29.0 -11.4 48.9 95 96 A N H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.912 108.6 50.5 -54.6 -41.2 28.3 -7.9 50.2 96 97 A G H > S+ 0 0 21 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.863 110.0 48.5 -64.5 -36.6 31.0 -8.5 52.8 97 98 A T H X S+ 0 0 29 -4,-1.6 4,-2.1 2,-0.2 5,-0.2 0.955 112.1 48.4 -71.4 -42.5 33.5 -9.6 50.1 98 99 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.949 111.9 49.5 -62.1 -48.2 32.8 -6.7 47.9 99 100 A R H X>S+ 0 0 71 -4,-2.3 5,-2.1 -5,-0.2 4,-1.5 0.927 110.3 49.5 -48.2 -60.6 33.1 -4.2 50.8 100 101 A A H <5S+ 0 0 76 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.872 114.0 45.7 -50.7 -42.5 36.4 -5.6 52.0 101 102 A I H <5S+ 0 0 53 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.924 120.4 38.0 -73.3 -42.1 37.9 -5.5 48.5 102 103 A L H <5S- 0 0 5 -4,-2.6 189,-0.3 -5,-0.2 -1,-0.2 0.596 103.6-135.5 -78.0 -15.4 36.7 -2.0 47.7 103 104 A D T <5 + 0 0 57 -4,-1.5 -3,-0.2 -5,-0.3 -4,-0.1 0.917 51.3 165.9 56.4 47.5 37.5 -1.1 51.3 104 105 A G < - 0 0 2 -5,-2.1 2,-0.4 -6,-0.2 185,-0.2 -0.173 41.9-131.5-100.9 176.7 34.1 0.6 51.3 105 106 A T E -E 288 0B 0 183,-2.7 183,-2.3 27,-0.2 2,-0.4 -0.991 22.1-135.0-127.2 137.0 31.4 2.2 53.6 106 107 A V E -EF 287 131B 10 25,-2.6 25,-2.6 -2,-0.4 2,-0.5 -0.782 14.5-164.9 -98.7 134.8 27.8 1.4 53.3 107 108 A F E -EF 286 130B 0 179,-2.6 179,-2.6 -2,-0.4 2,-0.4 -0.977 4.4-168.5-118.9 119.4 25.2 4.2 53.4 108 109 A R E +EF 285 129B 86 21,-2.2 21,-3.0 -2,-0.5 177,-0.2 -0.945 13.1 165.2-113.2 135.0 21.6 3.3 54.0 109 110 A A E -E 284 0B 5 175,-1.5 175,-3.0 -2,-0.4 19,-0.1 -0.971 33.5-108.0-145.1 149.0 18.8 5.8 53.6 110 111 A P E -E 283 0B 6 0, 0.0 2,-0.6 0, 0.0 173,-0.3 -0.411 19.3-130.8 -79.2 158.6 15.1 5.6 53.2 111 112 A I - 0 0 15 171,-2.8 2,-0.3 -2,-0.1 195,-0.0 -0.960 33.6-149.3-101.8 115.0 13.1 6.3 50.1 112 113 A V + 0 0 51 -2,-0.6 2,-0.4 12,-0.1 3,-0.1 -0.683 22.7 176.9 -97.8 142.0 10.3 8.7 51.1 113 114 A V > - 0 0 5 -2,-0.3 3,-2.7 3,-0.3 -2,-0.0 -0.981 31.5-131.9-137.1 126.8 6.8 9.1 49.7 114 115 A N T 3 S+ 0 0 151 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.811 103.9 60.8 -42.4 -45.9 4.4 11.6 51.2 115 116 A S T 3 S+ 0 0 13 1,-0.1 241,-2.3 240,-0.1 2,-0.8 0.637 91.6 77.4 -67.1 -13.0 1.5 9.2 51.4 116 117 A I S < S- 0 0 22 -3,-2.7 -3,-0.3 239,-0.2 239,-0.2 -0.848 82.6-142.9 -98.8 100.4 3.6 7.1 53.8 117 118 A K - 0 0 118 -2,-0.8 2,-0.1 237,-0.4 -2,-0.1 -0.414 10.4-138.1 -66.3 126.4 3.6 8.8 57.2 118 119 A P - 0 0 36 0, 0.0 159,-0.2 0, 0.0 158,-0.1 -0.404 9.6-131.7 -79.4 161.5 6.8 8.6 59.1 119 120 A F S S+ 0 0 62 157,-3.1 758,-2.1 156,-0.2 2,-0.7 0.818 95.6 65.7 -89.8 -34.3 6.8 7.9 62.9 120 121 A V B > S-K 876 0C 4 156,-0.6 3,-1.4 756,-0.2 756,-0.2 -0.831 91.1-134.9 -85.7 113.2 9.1 10.8 63.9 121 122 A K T 3 S+ 0 0 69 754,-1.9 -1,-0.2 -2,-0.7 755,-0.1 0.822 90.4 34.5 -40.4 -63.7 7.0 13.8 62.9 122 123 A G T 3 S+ 0 0 24 129,-0.3 2,-2.3 1,-0.1 -1,-0.2 0.507 81.2 112.3 -81.1 -3.0 9.5 16.1 61.1 123 124 A W < + 0 0 10 -3,-1.4 132,-0.2 1,-0.2 131,-0.1 -0.397 27.8 137.3 -73.9 77.8 11.7 13.6 59.3 124 125 A K + 0 0 149 -2,-2.3 -1,-0.2 130,-0.7 131,-0.2 0.554 55.0 65.8 -93.3 -9.5 10.7 14.2 55.7 125 126 A K B S-l 255 0D 112 129,-1.8 131,-1.6 -3,-0.2 132,-0.2 -0.948 95.6-100.7-119.7 131.5 14.2 14.1 54.0 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113.8 47.7 -59.1 -38.3 26.3 8.2 38.9 318 340 A R H X S+ 0 0 12 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.908 112.0 49.3 -70.1 -43.7 27.5 6.7 35.6 319 341 A G H <>S+ 0 0 0 -4,-2.5 5,-2.8 -5,-0.2 4,-0.4 0.956 111.5 49.3 -56.3 -51.8 25.8 9.5 33.7 320 342 A E H ><5S+ 0 0 100 -4,-3.2 3,-0.9 1,-0.2 -2,-0.2 0.910 113.9 45.9 -53.7 -47.4 27.4 12.2 36.0 321 343 A L H 3<5S+ 0 0 95 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.819 117.2 42.5 -68.2 -31.2 30.9 10.6 35.5 322 344 A D T 3<5S- 0 0 28 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.308 110.0-116.9-100.0 10.3 30.6 10.2 31.8 323 345 A G T < 5 + 0 0 70 -3,-0.9 2,-0.7 -4,-0.4 -3,-0.2 0.892 63.2 149.1 53.7 45.7 29.0 13.6 31.1 324 346 A I >>< + 0 0 13 -5,-2.8 4,-1.4 1,-0.2 3,-1.4 -0.619 21.7 179.8-113.2 73.6 25.8 12.0 29.8 325 347 A K H 3> S+ 0 0 144 -2,-0.7 4,-2.4 1,-0.3 3,-0.3 0.812 76.8 55.6 -35.5 -55.0 23.0 14.4 30.7 326 348 A E H 3> S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.877 107.3 51.1 -58.4 -34.2 20.1 12.5 29.2 327 349 A L H <> S+ 0 0 0 -3,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.888 109.2 50.7 -69.8 -33.9 21.0 9.4 31.3 328 350 A V H X S+ 0 0 29 -4,-1.4 4,-2.1 -3,-0.3 -2,-0.2 0.937 113.9 44.6 -63.5 -45.0 21.1 11.6 34.5 329 351 A D H X S+ 0 0 72 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.824 109.9 53.9 -74.4 -33.9 17.7 13.0 33.7 330 352 A F H X S+ 0 0 13 -4,-2.2 4,-3.2 -5,-0.3 5,-0.3 0.971 107.9 51.5 -63.7 -51.8 16.2 9.7 32.8 331 353 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.937 113.5 45.3 -45.9 -50.3 17.3 8.3 36.1 332 354 A T H X S+ 0 0 46 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.936 113.2 49.0 -62.8 -45.3 15.7 11.3 37.9 333 355 A K H X S+ 0 0 42 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.905 108.8 52.4 -62.7 -41.1 12.5 11.0 35.9 334 356 A L H X S+ 0 0 2 -4,-3.2 4,-2.4 2,-0.2 -1,-0.2 0.926 108.0 52.3 -64.8 -39.6 12.1 7.3 36.5 335 357 A E H X S+ 0 0 38 -4,-2.0 4,-1.9 -5,-0.3 5,-0.2 0.963 111.8 46.1 -56.5 -50.0 12.4 7.9 40.2 336 358 A Q H >X S+ 0 0 121 -4,-2.3 4,-3.4 1,-0.2 3,-0.6 0.965 111.2 51.1 -58.1 -56.0 9.7 10.5 40.1 337 359 A A H 3X S+ 0 0 9 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.866 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7.4 46.4 25.6 727 373 B L H X> S+ 0 0 4 -3,-0.6 4,-1.9 1,-0.2 3,-0.6 0.697 101.1 66.7 -74.8 -19.6 7.5 42.6 26.3 728 374 B A H << S+ 0 0 32 -4,-1.6 -1,-0.2 -3,-0.6 -2,-0.2 0.616 93.7 58.9 -79.5 -13.5 3.7 42.3 25.9 729 375 B S T << S+ 0 0 113 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.661 114.0 42.4 -77.2 -17.7 4.0 43.2 22.3 730 376 B L T <4 S+ 0 0 45 -3,-0.6 -234,-0.4 -4,-0.3 -2,-0.2 0.936 101.2 57.7 -91.5 -71.9 6.3 40.1 22.1 731 377 B S < - 0 0 5 -4,-1.9 -236,-0.3 -236,-0.2 -237,-0.1 -0.386 57.7-166.5 -71.7 136.9 5.1 37.1 24.0 732 378 B E + 0 0 39 -238,-2.2 -1,-0.1 -2,-0.1 -238,-0.1 0.699 46.0 105.8 -82.4-106.3 1.7 35.7 23.1 733 379 B V S S- 0 0 80 -239,-0.1 2,-0.4 1,-0.1 -239,-0.1 0.875 73.0 -22.9 33.3 76.8 0.4 33.2 25.7 734 380 B P S S- 0 0 81 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.754 79.4 -43.4 159.6-176.5 -2.0 34.6 27.7 735 381 B E - 0 0 69 -2,-0.4 2,-0.4 2,-0.0 -3,-0.0 -0.868 66.9-147.6-108.6 149.0 -4.1 37.1 29.4 736 382 B K - 0 0 57 -2,-0.4 2,-0.9 -14,-0.0 -14,-0.2 -0.953 25.3-152.8-128.4 135.6 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-63.5 -38.1 8.6 43.3 42.6 747 393 B E H X S+ 0 0 69 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.858 106.6 49.7 -65.6 -37.8 6.6 40.6 40.7 748 394 B I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.958 106.8 54.4 -66.1 -50.1 9.7 38.5 39.9 749 395 B R H X S+ 0 0 84 -4,-2.0 4,-3.2 1,-0.2 -2,-0.2 0.915 107.9 51.7 -47.0 -45.5 10.7 38.6 43.6 750 396 B K H < S+ 0 0 74 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.911 108.3 50.3 -57.8 -43.7 7.2 37.2 44.3 751 397 B T H < S+ 0 0 30 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.800 113.0 48.4 -62.7 -29.4 7.9 34.5 41.7 752 398 B F H < S+ 0 0 11 -4,-2.4 2,-1.5 1,-0.2 -2,-0.2 0.969 99.3 63.1 -74.7 -61.5 11.2 33.8 43.5 753 399 B E S < S+ 0 0 115 -4,-3.2 -1,-0.2 -5,-0.2 2,-0.2 -0.534 98.6 66.9 -59.0 91.6 9.7 33.7 47.0 754 400 B G 0 0 49 -2,-1.5 0, 0.0 -3,-0.0 0, 0.0 -0.228 360.0 360.0 135.0 97.5 7.8 30.7 45.8 755 401 B M 0 0 185 -2,-0.2 0, 0.0 -42,-0.0 0, 0.0 0.918 360.0 360.0 -56.1 360.0 10.3 28.0 45.1 756 !* 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 0.0 757 2 C S 0 0 174 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 88.4 -6.1 14.6 110.0 758 3 C K - 0 0 88 1,-0.1 32,-0.3 32,-0.1 2,-0.2 -0.351 360.0 -96.6 -81.5 154.3 -2.9 13.7 108.1 759 4 C I E -m 790 0O 36 30,-2.3 32,-2.5 318,-0.1 2,-0.4 -0.473 42.9-131.4 -65.7 132.0 -2.1 10.4 106.4 760 5 C K E -m 791 0O 85 -2,-0.2 2,-0.2 30,-0.2 318,-0.1 -0.733 13.5-148.2 -95.3 133.5 0.1 8.3 108.7 761 6 C M - 0 0 25 30,-0.5 309,-0.0 -2,-0.4 -1,-0.0 -0.588 7.3-165.3 -90.6 158.0 3.3 6.5 107.6 762 7 C K S S+ 0 0 102 1,-0.3 -1,-0.1 -2,-0.2 308,-0.0 0.807 73.5 29.2-106.2 -69.6 4.5 3.2 109.0 763 8 C V S S- 0 0 42 306,-0.1 -1,-0.3 1,-0.1 30,-0.2 -0.686 91.0-109.6 -92.2 144.2 8.2 2.7 107.9 764 9 C P - 0 0 13 0, 0.0 60,-0.3 0, 0.0 2,-0.3 -0.399 21.3-127.5 -75.9 153.7 10.3 5.8 107.4 765 10 C L E -n 794 0P 0 28,-1.7 30,-3.1 -2,-0.1 2,-0.6 -0.698 25.6-119.4 -84.5 143.9 11.5 6.9 104.0 766 11 C V E -no 795 825P 0 58,-2.7 60,-2.4 -2,-0.3 2,-0.6 -0.820 31.5-158.8 -83.7 124.2 15.3 7.5 103.7 767 12 C E E -no 796 826P 3 28,-2.6 30,-2.8 -2,-0.6 2,-0.6 -0.926 8.2-168.0-112.6 117.3 15.7 11.2 102.8 768 13 C M E -no 797 827P 0 58,-2.4 60,-2.9 -2,-0.6 30,-0.2 -0.907 13.7-144.2-109.3 115.9 19.0 12.3 101.2 769 14 C D E -n 798 0P 0 28,-2.7 30,-1.0 -2,-0.6 2,-0.1 -0.283 19.1-161.0 -75.9 158.6 19.5 16.2 101.0 770 15 C G - 0 0 0 28,-0.1 2,-0.3 2,-0.1 60,-0.3 -0.266 19.6 -64.4-123.2-153.6 21.3 17.7 97.9 771 16 C D >> - 0 0 13 58,-2.4 3,-1.2 29,-0.2 4,-0.9 -0.782 69.8 -41.4-113.0 148.1 23.2 20.8 96.8 772 17 C E H 3> S+ 0 0 111 -2,-0.3 4,-1.1 1,-0.2 3,-0.4 -0.088 118.9 4.3 51.5-124.5 22.5 24.5 96.2 773 18 C M H 3> S+ 0 0 117 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.786 128.2 56.3 -73.1 -29.6 19.1 25.4 94.5 774 19 C T H <> S+ 0 0 42 -3,-1.2 4,-2.4 1,-0.2 -1,-0.3 0.805 102.4 61.0 -73.6 -23.0 17.7 21.9 94.4 775 20 C R H X S+ 0 0 59 -4,-0.9 4,-1.4 -3,-0.4 -2,-0.2 0.931 108.4 41.6 -62.2 -44.1 18.3 22.0 98.1 776 21 C I H X S+ 0 0 83 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.925 115.4 49.4 -68.0 -46.2 15.9 25.0 98.4 777 22 C I H X S+ 0 0 28 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.886 105.4 58.2 -60.7 -39.2 13.4 23.5 96.0 778 23 C W H X S+ 0 0 1 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.934 106.2 48.8 -56.9 -46.4 13.4 20.3 97.8 779 24 C R H X S+ 0 0 100 -4,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.860 109.0 53.2 -59.5 -39.2 12.3 22.1 101.0 780 25 C L H X S+ 0 0 19 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.817 107.0 52.6 -67.2 -32.7 9.5 23.9 99.1 781 26 C I H X>S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 5,-1.0 0.985 111.9 43.7 -68.9 -56.2 8.2 20.7 97.8 782 27 C K H X>S+ 0 0 35 -4,-2.1 5,-2.3 1,-0.2 4,-1.3 0.939 117.5 48.5 -45.7 -51.9 8.0 19.1 101.4 783 28 C E H <5S+ 0 0 112 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.863 122.1 27.2 -66.1 -39.7 6.5 22.4 102.7 784 29 C N H <5S+ 0 0 13 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.634 134.1 22.9 -99.3 -17.0 3.7 23.0 100.2 785 30 C L H <5S+ 0 0 1 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.612 125.0 32.1-126.1 -26.0 2.8 19.6 98.9 786 31 C L T >X S- 0 0 2 -30,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.274 72.8-110.4 -56.1 158.1 25.1 18.1 100.4 801 46 C L H > S+ 0 0 2 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.905 113.7 56.8 -67.0 -41.3 28.7 18.8 99.6 802 47 C E H > S+ 0 0 122 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.937 112.4 39.5 -57.8 -49.6 29.5 20.6 102.8 803 48 C N H > S+ 0 0 38 2,-0.2 4,-2.6 1,-0.2 6,-0.3 0.834 114.4 54.8 -70.8 -33.7 28.4 17.8 105.1 804 49 C R H <>S+ 0 0 0 -4,-2.1 5,-2.9 2,-0.2 4,-0.4 0.953 109.7 46.5 -61.4 -48.2 30.0 15.2 102.8 805 50 C D H ><5S+ 0 0 16 -4,-3.4 3,-1.5 3,-0.2 -2,-0.2 0.948 112.5 51.4 -57.7 -45.7 33.2 17.0 103.0 806 51 C K H 3<5S+ 0 0 125 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.886 115.6 39.4 -61.4 -39.4 32.8 17.2 106.8 807 52 C T T ><5S- 0 0 47 -4,-2.6 3,-1.7 -5,-0.1 -1,-0.3 0.383 111.4-119.1 -89.7 8.2 32.1 13.5 107.1 808 53 C E T < 5S- 0 0 120 -3,-1.5 -3,-0.2 -4,-0.4 -4,-0.1 0.875 73.4 -57.8 45.8 39.2 34.8 12.7 104.5 809 54 C D T >> + 0 0 79 -3,-1.7 4,-2.7 -6,-0.3 3,-0.2 0.817 66.3 66.7 -57.0 -36.5 30.9 8.7 105.3 811 56 C V H 3> S+ 0 0 8 1,-0.2 4,-2.6 -8,-0.2 -1,-0.2 0.877 96.6 54.8 -57.1 -35.9 27.4 10.1 105.3 812 57 C T H <> S+ 0 0 0 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.908 108.9 46.3 -68.2 -40.3 26.9 8.8 101.8 813 58 C I H X S+ 0 0 48 -4,-1.0 4,-2.6 -3,-0.2 -2,-0.2 0.955 111.9 52.7 -60.9 -47.6 27.8 5.3 102.8 814 59 C D H X S+ 0 0 59 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.878 107.8 51.3 -57.2 -43.1 25.4 5.7 105.8 815 60 C A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.934 110.2 47.8 -58.7 -46.4 22.5 6.8 103.6 816 61 C A H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.915 112.0 51.0 -64.2 -40.3 23.0 3.8 101.3 817 62 C R H X S+ 0 0 134 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.919 107.7 53.2 -61.7 -40.2 23.1 1.6 104.3 818 63 C A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 5,-0.3 0.886 103.8 55.2 -64.0 -37.2 19.9 3.2 105.6 819 64 C I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.881 106.6 52.5 -61.9 -36.6 18.1 2.4 102.3 820 65 C Q H < S+ 0 0 75 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.861 109.1 50.5 -65.7 -36.7 19.1 -1.3 102.9 821 66 C K H < S+ 0 0 154 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.936 127.0 20.2 -61.1 -50.5 17.6 -1.1 106.4 822 67 C Y H < S- 0 0 77 -4,-2.1 -2,-0.2 2,-0.1 -3,-0.2 0.748 96.9-124.5-101.5 -32.8 14.2 0.3 105.4 823 68 C G S < S+ 0 0 8 -4,-2.6 224,-2.6 -5,-0.3 2,-0.4 0.046 76.2 66.4 112.7 -23.1 13.8 -0.4 101.6 824 69 C V E + p 01047P 0 -60,-0.3 -58,-2.7 222,-0.2 2,-0.3 -0.975 47.2 175.0-143.9 131.9 13.2 3.0 100.1 825 70 C G E -op 7661048P 0 222,-2.9 224,-2.8 -2,-0.4 2,-0.4 -0.893 14.8-157.4-125.6 157.0 15.1 6.3 99.6 826 71 C V E -op 7671049P 0 -60,-2.4 -58,-2.4 -2,-0.3 2,-0.4 -0.999 21.3-157.2-132.1 131.2 14.4 9.6 97.8 827 72 C K E -op 7681050P 0 222,-3.0 224,-0.9 -2,-0.4 -58,-0.2 -0.938 10.7-140.2-122.0 132.9 17.4 11.7 96.8 828 73 C C - 0 0 2 -60,-2.9 2,-0.1 -2,-0.4 -53,-0.1 -0.475 44.5 -86.7 -80.4 156.0 17.9 15.3 96.1 829 74 C A - 0 0 34 -2,-0.1 -58,-2.4 -59,-0.1 2,-0.2 -0.413 51.9-167.6 -70.9 138.5 20.2 16.3 93.2 830 75 C T - 0 0 30 -60,-0.3 2,-0.4 -2,-0.1 -30,-0.1 -0.677 18.4-112.6-122.9 171.3 23.9 16.6 94.2 831 76 C I - 0 0 50 -2,-0.2 -59,-0.0 -59,-0.0 -2,-0.0 -0.896 11.5-148.1-106.7 133.0 27.2 17.9 92.8 832 77 C T - 0 0 74 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