==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-MAY-13 4L03 . COMPND 2 MOLECULE: ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.O.CONCHA,A.M.SMALLWOOD . 1245 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51729.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 946 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 106 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 91 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 473 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 41 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 6 4 5 3 3 0 0 6 3 1 2 0 6 4 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 3 6 0 0 2 1 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 . 1 0 0 3 6 3 3 0 2 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 2 0 0 0 0 0 3 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 3 A K 0 0 143 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -38.0 -24.8 -57.1 48.7 2 4 A K - 0 0 111 1,-0.1 31,-0.2 31,-0.1 2,-0.2 -0.401 360.0-101.4 -80.0 153.8 -25.0 -54.8 45.7 3 5 A I E -a 33 0A 37 29,-2.9 31,-3.5 -2,-0.1 2,-0.8 -0.507 31.6-122.9 -69.8 140.2 -22.0 -53.9 43.5 4 6 A S E +a 34 0A 78 -2,-0.2 31,-0.2 29,-0.2 346,-0.2 -0.781 34.2 178.3 -87.8 112.3 -20.5 -50.5 44.2 5 7 A G E - 0 0 0 29,-3.5 30,-0.2 -2,-0.8 -1,-0.2 0.655 20.9-146.7 -95.9 -18.3 -20.7 -48.8 40.8 6 8 A G E - 0 0 25 28,-0.5 30,-2.8 2,-0.0 2,-0.4 -0.432 48.3 -13.5 83.8-159.4 -19.3 -45.3 41.4 7 9 A S E +a 36 0A 29 28,-0.2 2,-0.4 -2,-0.1 30,-0.2 -0.681 61.2 166.8 -92.7 126.5 -20.3 -42.0 39.8 8 10 A V E -a 37 0A 0 28,-1.9 30,-2.9 -2,-0.4 2,-0.6 -0.998 30.1-137.7-136.9 136.5 -22.5 -42.0 36.6 9 11 A V E -ab 38 68A 0 58,-2.0 60,-2.5 -2,-0.4 2,-0.5 -0.872 23.9-162.8 -91.6 121.8 -24.4 -39.2 34.9 10 12 A E E -ab 39 69A 1 28,-2.6 30,-3.1 -2,-0.6 2,-0.5 -0.918 5.5-164.3-108.3 131.5 -27.8 -40.4 33.8 11 13 A M E -ab 40 70A 0 58,-2.4 60,-2.7 -2,-0.5 30,-0.2 -0.954 12.0-146.6-119.5 113.4 -29.9 -38.5 31.2 12 14 A Q E -a 41 0A 30 28,-2.3 30,-1.6 -2,-0.5 6,-0.1 -0.466 19.2-165.1 -80.7 147.6 -33.5 -39.4 31.0 13 15 A G - 0 0 0 -2,-0.2 2,-0.3 28,-0.1 60,-0.3 -0.010 13.1 -87.1-113.0-150.5 -35.3 -39.2 27.6 14 16 A D >> - 0 0 10 58,-2.1 4,-1.4 29,-0.1 3,-0.8 -0.830 66.2 -10.9-129.4 164.2 -38.7 -39.1 26.0 15 17 A E H 3> S- 0 0 11 -2,-0.3 4,-1.3 1,-0.2 3,-0.4 -0.062 120.9 -5.1 56.0-135.1 -41.6 -41.3 24.6 16 18 A M H 3> S+ 0 0 1 293,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.862 134.0 55.1 -66.1 -34.9 -40.9 -45.0 24.1 17 19 A T H <> S+ 0 0 0 -3,-0.8 4,-3.0 292,-0.7 -1,-0.2 0.858 102.7 56.6 -67.2 -33.8 -37.3 -44.9 25.1 18 20 A R H X S+ 0 0 68 -4,-1.4 4,-1.9 -3,-0.4 -1,-0.2 0.894 106.9 50.1 -61.5 -38.7 -38.1 -43.2 28.4 19 21 A I H X S+ 0 0 41 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.945 113.5 44.3 -63.1 -48.2 -40.4 -46.2 29.3 20 22 A I H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.912 108.3 59.5 -62.4 -42.7 -37.6 -48.7 28.4 21 23 A W H X S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.913 106.1 46.9 -51.4 -47.6 -35.1 -46.6 30.3 22 24 A E H X S+ 0 0 86 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.870 111.4 51.3 -67.5 -35.6 -37.1 -46.9 33.6 23 25 A L H X>S+ 0 0 30 -4,-1.6 4,-2.6 2,-0.2 5,-0.7 0.851 107.7 53.3 -68.2 -34.7 -37.5 -50.7 33.1 24 26 A I H X>S+ 0 0 0 -4,-2.5 5,-1.9 3,-0.2 4,-1.5 0.953 112.6 43.0 -63.2 -50.5 -33.7 -51.1 32.5 25 27 A K H <>S+ 0 0 8 -4,-2.1 5,-2.7 3,-0.2 -2,-0.2 0.922 119.1 44.1 -62.5 -42.3 -32.9 -49.3 35.8 26 28 A E H <5S+ 0 0 128 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.943 129.5 20.6 -71.3 -50.8 -35.6 -51.1 37.8 27 29 A K H <5S+ 0 0 35 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.907 133.7 28.8 -84.8 -48.6 -35.2 -54.7 36.5 28 30 A L T <> S- 0 0 3 1,-0.1 4,-2.2 30,-0.1 3,-0.5 -0.329 70.8-109.7 -50.5 146.2 -37.4 -35.2 28.9 44 46 A I H > S+ 0 0 2 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.839 116.1 54.1 -56.9 -36.2 -38.9 -32.5 26.6 45 47 A E H > S+ 0 0 112 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.912 109.8 45.6 -67.2 -41.4 -41.0 -31.0 29.4 46 48 A N H > S+ 0 0 54 -3,-0.5 4,-1.7 2,-0.2 8,-0.2 0.864 111.7 52.1 -71.9 -34.9 -38.1 -30.5 31.8 47 49 A R H <>S+ 0 0 0 -4,-2.2 5,-3.4 2,-0.2 4,-0.4 0.931 110.9 48.4 -62.8 -43.3 -35.9 -29.0 29.1 48 50 A D H ><5S+ 0 0 19 -4,-2.3 3,-0.9 -5,-0.2 -2,-0.2 0.904 111.3 50.1 -62.0 -39.7 -38.7 -26.5 28.2 49 51 A A H 3<5S+ 0 0 47 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.801 115.9 41.2 -71.5 -29.6 -39.1 -25.6 31.9 50 52 A T T ><5S- 0 0 22 -4,-1.7 3,-1.4 -5,-0.1 -1,-0.2 0.312 112.6-114.6 -96.2 6.5 -35.4 -25.0 32.5 51 53 A N T < 5S- 0 0 15 -3,-0.9 -3,-0.2 -4,-0.4 -4,-0.1 0.888 72.9 -60.2 56.5 41.0 -34.9 -23.2 29.1 52 54 A D T 3> + 0 0 11 -3,-1.4 4,-2.7 -6,-0.3 5,-0.2 0.859 62.6 65.2 -74.1 -33.3 -30.3 -25.4 31.0 54 56 A V H > S+ 0 0 11 -8,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.849 99.4 55.5 -54.7 -32.1 -30.6 -29.0 32.3 55 57 A T H > S+ 0 0 0 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.932 109.1 43.6 -69.0 -46.0 -28.9 -30.1 29.1 56 58 A K H X S+ 0 0 73 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.879 112.9 53.3 -67.7 -37.6 -25.9 -27.9 29.5 57 59 A D H X S+ 0 0 35 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.920 108.1 51.0 -59.7 -43.8 -25.7 -28.9 33.2 58 60 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.921 107.9 52.0 -61.3 -42.1 -25.7 -32.6 32.2 59 61 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.915 110.0 48.8 -61.2 -41.5 -22.9 -32.0 29.7 60 62 A E H X S+ 0 0 97 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.838 107.3 56.1 -66.4 -32.5 -20.8 -30.3 32.4 61 63 A A H X S+ 0 0 8 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.888 103.8 53.8 -65.6 -37.4 -21.6 -33.3 34.8 62 64 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.915 106.1 52.6 -64.1 -41.8 -20.1 -35.7 32.2 63 65 A K H < S+ 0 0 97 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.907 114.1 44.0 -56.5 -41.4 -16.9 -33.7 32.1 64 66 A K H < S+ 0 0 155 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.932 124.8 30.3 -72.2 -47.2 -16.6 -33.9 35.9 65 67 A H H < S- 0 0 34 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.569 92.7-138.8 -95.8 -9.5 -17.5 -37.6 36.4 66 68 A N S < S+ 0 0 24 -4,-2.6 235,-2.3 -5,-0.3 2,-0.4 0.273 74.6 76.7 75.2 -8.0 -16.2 -39.0 33.0 67 69 A V E + c 0 301A 0 -6,-0.2 -58,-2.0 233,-0.2 2,-0.3 -0.996 49.5 163.9-135.6 134.1 -19.1 -41.3 32.4 68 70 A G E -bc 9 302A 0 233,-1.0 235,-2.9 -2,-0.4 2,-0.4 -0.994 18.7-159.6-146.8 152.1 -22.7 -40.6 31.2 69 71 A V E -bc 10 303A 0 -60,-2.5 -58,-2.4 -2,-0.3 2,-0.4 -1.000 18.3-161.2-133.9 124.9 -25.5 -42.7 29.8 70 72 A K E -bc 11 304A 2 233,-2.5 235,-0.8 -2,-0.4 2,-0.2 -0.926 12.2-145.0-121.9 133.6 -28.2 -41.0 27.8 71 73 A C - 0 0 2 -60,-2.7 238,-0.1 -2,-0.4 -53,-0.1 -0.581 44.8 -88.1 -81.9 153.5 -31.7 -41.9 26.7 72 74 A A - 0 0 5 -2,-0.2 -58,-2.1 236,-0.2 2,-0.3 -0.384 49.9-158.0 -64.8 144.0 -33.0 -40.8 23.3 73 75 A T - 0 0 13 -60,-0.3 2,-0.4 -30,-0.1 236,-0.2 -0.866 19.5-106.4-125.5 154.5 -34.6 -37.3 23.4 74 76 A I - 0 0 4 -2,-0.3 -59,-0.0 -32,-0.2 234,-0.0 -0.663 22.4-156.4 -76.9 129.3 -37.1 -35.4 21.3 75 77 A T - 0 0 22 -2,-0.4 2,-0.1 17,-0.1 17,-0.1 -0.954 28.9-130.7-100.5 111.2 -35.5 -32.6 19.2 76 78 A P + 0 0 0 0, 0.0 2,-0.2 0, 0.0 16,-0.1 -0.402 31.2 173.9 -76.2 139.5 -38.5 -30.3 18.6 77 79 A D > - 0 0 17 -2,-0.1 4,-2.2 12,-0.0 3,-0.4 -0.509 59.9 -71.5-113.1-171.4 -39.6 -28.8 15.3 78 80 A E H > S+ 0 0 69 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.880 133.6 53.6 -53.7 -40.9 -42.7 -26.7 14.7 79 81 A K H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.884 108.8 48.4 -64.9 -37.9 -45.0 -29.7 15.2 80 82 A R H > S+ 0 0 36 -3,-0.4 4,-2.7 2,-0.2 6,-0.3 0.874 106.4 57.0 -70.3 -36.3 -43.4 -30.6 18.5 81 83 A V H X>S+ 0 0 38 -4,-2.2 5,-1.5 1,-0.2 4,-1.1 0.908 112.3 42.8 -57.6 -41.3 -43.8 -27.0 19.7 82 84 A E H <5S+ 0 0 150 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.877 113.6 51.4 -73.2 -37.4 -47.5 -27.3 19.0 83 85 A E H <5S+ 0 0 76 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.922 124.9 25.6 -65.1 -45.1 -47.8 -30.7 20.6 84 86 A F H <5S- 0 0 41 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.427 101.9-121.0-100.0 -1.4 -46.1 -29.8 23.9 85 87 A K T <5 - 0 0 175 -4,-1.1 -3,-0.2 -5,-0.2 -4,-0.1 0.941 47.3-174.1 56.2 49.9 -46.8 -26.0 24.0 86 88 A L < - 0 0 14 -5,-1.5 -1,-0.1 -6,-0.3 3,-0.1 -0.339 32.9-135.1 -75.9 156.3 -43.1 -25.3 24.0 87 89 A K S S- 0 0 85 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.824 85.6 -1.5 -75.8 -34.8 -41.6 -21.8 24.5 88 90 A Q S S- 0 0 87 -7,-0.0 2,-1.2 0, 0.0 -1,-0.2 -0.931 80.6 -95.0-146.4 167.9 -39.1 -22.3 21.7 89 91 A M - 0 0 44 -2,-0.3 -11,-0.1 -3,-0.1 543,-0.1 -0.759 54.8-146.6 -88.5 100.3 -37.9 -24.9 19.2 90 92 A W - 0 0 14 -2,-1.2 2,-0.1 -13,-0.1 -42,-0.0 -0.207 11.1-109.8 -74.1 151.5 -35.0 -26.2 21.3 91 93 A K - 0 0 136 1,-0.1 -1,-0.1 -16,-0.1 539,-0.1 -0.428 48.5 -80.0 -74.0 156.6 -31.8 -27.4 19.8 92 94 A S > - 0 0 5 537,-0.2 4,-2.1 1,-0.2 5,-0.2 -0.315 31.2-140.1 -55.0 127.1 -31.0 -31.1 19.9 93 95 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.850 105.7 56.2 -57.6 -31.6 -29.6 -32.1 23.4 94 96 A N H > S+ 0 0 25 2,-0.2 4,-3.0 1,-0.2 5,-0.4 0.929 104.8 50.3 -65.6 -45.4 -27.2 -34.4 21.5 95 97 A D H > S+ 0 0 19 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.924 114.1 46.0 -55.0 -44.0 -25.9 -31.4 19.4 96 98 A T H X S+ 0 0 23 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.919 115.6 44.5 -66.6 -45.3 -25.4 -29.5 22.7 97 99 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.933 115.7 45.9 -68.3 -46.3 -23.7 -32.3 24.6 98 100 A R H X S+ 0 0 14 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.888 109.9 55.4 -66.0 -37.2 -21.4 -33.4 21.7 99 101 A N H < S+ 0 0 36 -4,-2.1 -1,-0.2 -5,-0.4 -2,-0.2 0.916 114.2 40.8 -59.1 -41.2 -20.5 -29.7 21.0 100 102 A I H < S+ 0 0 48 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.902 125.1 34.6 -75.3 -42.1 -19.4 -29.4 24.7 101 103 A L H < S- 0 0 19 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.901 89.0-169.6 -81.2 -41.3 -17.7 -32.7 25.0 102 104 A G < + 0 0 10 -4,-3.0 2,-0.2 -5,-0.3 -1,-0.1 -0.176 30.8 101.0 74.1-174.9 -16.2 -33.2 21.5 103 105 A G S S- 0 0 5 192,-0.2 29,-2.3 -4,-0.1 2,-0.4 -0.653 71.2 -51.6 102.1-159.1 -14.7 -36.4 20.2 104 106 A T E -DE 131 294A 2 190,-1.9 190,-3.2 -2,-0.2 2,-0.7 -0.983 35.6-140.2-128.0 133.5 -15.8 -39.3 18.0 105 107 A V E -DE 130 293A 0 25,-3.1 25,-3.2 -2,-0.4 2,-0.5 -0.859 18.1-156.1 -96.1 114.7 -19.0 -41.4 18.2 106 108 A F E -DE 129 292A 21 186,-2.6 186,-1.9 -2,-0.7 2,-0.4 -0.828 12.9-173.9 -94.7 125.5 -18.2 -45.0 17.5 107 109 A R E +DE 128 291A 5 21,-2.4 21,-2.3 -2,-0.5 2,-0.3 -0.970 9.6 163.0-127.2 134.1 -21.3 -47.0 16.3 108 110 A E E -DE 127 290A 39 182,-1.4 182,-3.2 -2,-0.4 19,-0.1 -0.993 36.4-106.3-152.2 142.9 -21.4 -50.7 15.6 109 111 A A E - E 0 289A 11 17,-0.5 2,-0.6 -2,-0.3 180,-0.3 -0.246 25.0-128.7 -68.0 158.2 -24.1 -53.3 15.2 110 112 A I - 0 0 15 178,-1.3 2,-0.4 175,-0.2 175,-0.1 -0.967 32.0-148.2-108.9 116.1 -24.9 -55.9 17.9 111 113 A I - 0 0 88 -2,-0.6 2,-0.4 3,-0.0 178,-0.0 -0.727 19.4-175.5-102.4 129.2 -24.9 -59.3 16.2 112 114 A C > - 0 0 6 -2,-0.4 3,-1.3 3,-0.2 251,-0.0 -0.967 27.7-132.5-117.0 141.7 -26.9 -62.4 17.0 113 115 A K T 3 S+ 0 0 187 -2,-0.4 -1,-0.1 1,-0.3 253,-0.0 0.751 101.8 49.9 -66.9 -28.2 -26.3 -65.6 15.1 114 116 A N T 3 S+ 0 0 50 2,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 0.416 88.0 94.7 -93.3 2.6 -29.9 -66.4 14.3 115 117 A I < - 0 0 21 -3,-1.3 -3,-0.2 262,-0.0 2,-0.1 -0.842 69.3-139.4-103.2 111.9 -30.9 -62.9 12.9 116 118 A P - 0 0 61 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.445 17.2-130.0 -70.2 141.5 -30.7 -62.6 9.1 117 119 A R - 0 0 89 2,-0.1 166,-0.2 -2,-0.1 165,-0.1 -0.406 7.0-136.9 -79.1 159.3 -29.3 -59.4 7.6 118 120 A L S S+ 0 0 29 164,-2.4 419,-2.0 163,-0.3 2,-0.6 0.723 97.2 63.8 -81.0 -28.8 -30.9 -57.3 4.9 119 121 A V B > S-J 536 0B 0 163,-1.5 3,-0.7 417,-0.2 417,-0.2 -0.888 78.7-152.1-100.6 121.8 -27.4 -56.9 3.3 120 122 A S T 3 S+ 0 0 71 415,-1.9 -1,-0.1 -2,-0.6 -3,-0.1 0.817 82.6 50.1 -68.7 -33.0 -26.2 -60.3 2.1 121 123 A G T 3 S+ 0 0 24 136,-0.3 2,-1.8 414,-0.1 -1,-0.2 0.610 72.8 105.8 -86.9 -10.3 -22.4 -59.8 2.3 122 124 A W < + 0 0 7 -3,-0.7 139,-0.2 1,-0.2 138,-0.2 -0.448 26.0 145.6 -86.2 93.6 -21.7 -58.3 5.8 123 125 A V + 0 0 98 -2,-1.8 -1,-0.2 137,-0.7 138,-0.2 0.573 66.0 50.3 -96.0 -9.7 -20.2 -61.2 7.7 124 126 A K S S- 0 0 95 136,-1.8 138,-0.1 -3,-0.2 2,-0.1 -0.846 97.6 -89.7-124.3 158.3 -17.9 -58.9 9.7 125 127 A P - 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0 0 8 -2,-0.7 20,-2.8 18,-0.2 2,-0.0 -0.944 51.0-100.6-148.7 162.0 -41.5 -11.0 40.3 1201 373 C T > - 0 0 0 -2,-0.3 4,-1.5 18,-0.2 3,-0.3 -0.209 50.6 -92.0 -77.2 178.3 -38.9 -13.4 41.9 1202 374 C K H > S+ 0 0 80 18,-0.4 4,-1.9 1,-0.2 5,-0.2 0.779 121.0 61.8 -71.1 -27.3 -39.3 -14.7 45.4 1203 375 C D H > S+ 0 0 43 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.937 107.9 43.7 -62.7 -44.2 -37.3 -11.9 47.0 1204 376 C L H > S+ 0 0 0 -3,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.802 110.8 55.4 -72.3 -28.0 -39.7 -9.3 45.8 1205 377 C A H X S+ 0 0 2 -4,-1.5 4,-2.8 1,-0.2 5,-0.3 0.833 104.6 53.2 -72.8 -31.8 -42.7 -11.5 46.9 1206 378 C A H X S+ 0 0 22 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.802 104.4 56.8 -70.8 -28.5 -41.3 -11.7 50.4 1207 379 C C H < S+ 0 0 28 -4,-1.2 -2,-0.2 2,-0.2 -1,-0.2 0.941 114.5 38.2 -61.2 -45.9 -41.2 -7.9 50.5 1208 380 C I H < S+ 0 0 83 -4,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.970 134.9 18.6 -70.0 -54.9 -44.9 -7.8 49.7 1209 381 C K H < S- 0 0 44 -4,-2.8 4,-0.3 1,-0.1 -3,-0.2 0.518 107.6-109.9 -99.6 -6.8 -46.2 -10.7 51.7 1210 382 C G < - 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0 0 38 -20,-2.8 -18,-0.4 -2,-0.3 2,-0.1 -0.757 29.9-117.0-100.7 145.4 -41.8 -16.8 39.5 1221 393 C N > - 0 0 16 -2,-0.3 4,-3.2 -20,-0.1 5,-0.3 -0.343 39.5 -96.9 -72.8 164.0 -38.7 -19.0 39.2 1222 394 C T H > S+ 0 0 4 -69,-1.9 4,-2.2 1,-0.2 5,-0.2 0.887 125.7 46.4 -50.6 -43.2 -35.6 -17.5 37.6 1223 395 C F H > S+ 0 0 21 -70,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.951 113.8 46.6 -66.7 -50.0 -36.4 -19.1 34.3 1224 396 C E H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.921 113.0 50.0 -59.0 -44.6 -40.1 -18.1 34.3 1225 397 C F H X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.952 109.2 50.9 -59.8 -48.5 -39.2 -14.5 35.3 1226 398 C M H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.855 107.3 55.7 -57.5 -35.1 -36.6 -14.2 32.6 1227 399 C D H X S+ 0 0 33 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.934 104.2 52.3 -63.0 -44.6 -39.2 -15.4 30.1 1228 400 C K H X S+ 0 0 79 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.908 109.3 49.9 -58.6 -41.6 -41.7 -12.6 31.1 1229 401 C L H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.876 107.3 54.9 -65.2 -37.5 -38.9 -10.0 30.5 1230 402 C G H X S+ 0 0 10 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.906 109.5 46.2 -63.0 -40.2 -38.2 -11.5 27.1 1231 403 C E H X S+ 0 0 121 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.942 114.0 46.1 -68.6 -46.8 -41.8 -11.2 25.9 1232 404 C N H X S+ 0 0 46 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.882 111.0 53.0 -66.9 -36.6 -42.3 -7.6 27.1 1233 405 C L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.904 107.7 51.9 -63.3 -40.7 -39.0 -6.5 25.7 1234 406 C K H X S+ 0 0 131 -4,-1.8 4,-1.5 -5,-0.2 -2,-0.2 0.904 111.3 48.9 -58.6 -41.0 -40.0 -7.9 22.3 1235 407 C I H X S+ 0 0 73 -4,-2.0 4,-2.4 2,-0.2 3,-0.3 0.970 110.1 48.3 -63.4 -55.3 -43.3 -5.9 22.6 1236 408 C K H X S+ 0 0 47 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.889 111.5 49.6 -57.3 -42.9 -41.8 -2.6 23.5 1237 409 C L H X S+ 0 0 36 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.858 110.7 50.7 -67.6 -33.6 -39.2 -2.7 20.7 1238 410 C A H X S+ 0 0 55 -4,-1.5 4,-1.5 -3,-0.3 -2,-0.2 0.914 109.6 49.9 -66.3 -42.0 -41.9 -3.6 18.1 1239 411 C Q H < S+ 0 0 115 -4,-2.4 5,-0.2 1,-0.3 -2,-0.2 0.784 107.3 53.9 -72.1 -26.2 -44.1 -0.7 19.3 1240 412 C A H < S+ 0 0 28 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.749 102.6 57.3 -75.2 -25.7 -41.2 1.7 19.0 1241 413 C K H < S+ 0 0 60 -4,-1.1 -2,-0.2 -3,-0.2 -1,-0.2 0.828 108.2 58.9 -66.0 -34.0 -40.8 0.4 15.4 1242 414 C L S < S+ 0 0 107 -4,-1.5 2,-0.4 2,-0.2 -3,-0.0 -0.296 97.3 42.5 -74.9 176.1 -44.4 1.7 15.3 1243 415 C S S S+ 0 0 95 1,-0.2 -1,-0.2 -2,-0.1 -3,-0.1 0.139 112.4 66.0 63.8 -23.8 -44.9 5.4 16.0 1244 416 C L S S+ 0 0 119 -2,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.526 98.6 46.7 -98.1 -15.2 -41.8 5.5 13.8 1245 417 C E S S+ 0 0 80 -4,-0.1 -3,-0.1 1,-0.1 -1,-0.1 0.767 108.2 54.6 -83.3 -40.1 -43.9 4.2 10.8 1246 418 C H 0 0 183 1,-0.2 -2,-0.2 0, 0.0 -1,-0.1 0.707 360.0 360.0 -55.1 -22.3 -46.4 6.8 11.9 1247 419 C H 0 0 93 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 -0.755 360.0 360.0 -85.6 360.0 -43.2 8.8 11.5