==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE(CHOH(D)-NAD(A)) 25-NOV-87 6LDH . COMPND 2 MOLECULE: M4 APO-LACTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SQUALUS ACANTHIAS; . AUTHOR C.ABAD-ZAPATERO,M.G.ROSSMANN . 329 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17237.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 8.2 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.3 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 . 25 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 1 1 0 0 0 0 0 1 1 1 0 2 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 1 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 . 3 2 0 1 0 0 0 1 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 1 0 0 0 0 0 0 1 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 A 0 0 132 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 34.2 -37.2 6.6 18.8 2 2 A T > - 0 0 73 1,-0.1 4,-2.1 0, 0.0 5,-0.2 -0.934 360.0-126.7-121.5 142.1 -33.9 7.9 17.4 3 3 A L H > S+ 0 0 137 -2,-0.3 4,-1.9 1,-0.3 5,-0.2 0.942 115.6 51.8 -56.4 -46.2 -32.7 6.6 13.9 4 4 A K H > S+ 0 0 163 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.852 112.2 44.5 -55.5 -43.2 -29.4 5.8 15.7 5 5 A D H 4 S+ 0 0 110 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.731 112.7 52.3 -76.1 -26.9 -31.3 3.8 18.4 6 6 A K H < S+ 0 0 180 -4,-2.1 -2,-0.2 -3,-0.2 -1,-0.2 0.756 121.3 31.5 -80.5 -24.9 -33.5 2.1 15.8 7 7 A L H < S+ 0 0 128 -4,-1.9 2,-0.5 -5,-0.2 -2,-0.2 0.712 110.7 57.8-112.9 -23.2 -30.5 1.0 13.8 8 8 A I < + 0 0 96 -4,-2.2 -1,-0.2 -5,-0.2 2,-0.1 -0.943 61.1 178.9-117.8 116.1 -27.5 0.3 16.1 9 9 A G - 0 0 63 -2,-0.5 2,-0.4 -3,-0.1 -3,-0.0 -0.206 16.7-119.2 -98.7-171.8 -27.8 -2.2 19.0 10 10 A H - 0 0 153 -2,-0.1 2,-0.2 4,-0.0 4,-0.1 -0.954 6.2-133.9-143.4 146.2 -25.3 -3.4 21.7 11 11 A L - 0 0 156 -2,-0.4 0, 0.0 2,-0.2 0, 0.0 -0.593 42.7-113.0 -79.3 156.8 -23.6 -6.4 23.1 12 12 A A S S+ 0 0 109 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.522 98.5 55.2 -68.6 -12.1 -23.9 -6.4 26.9 13 13 A T + 0 0 119 2,-0.0 2,-0.3 0, 0.0 -2,-0.2 -0.960 60.5 147.0-132.2 146.0 -20.1 -5.7 27.2 14 14 A S - 0 0 110 -2,-0.3 2,-0.3 -4,-0.1 -4,-0.0 -0.914 30.6-127.7-167.5 173.2 -17.8 -3.0 25.8 15 15 A Q - 0 0 175 -2,-0.3 3,-0.1 3,-0.0 -2,-0.0 -0.988 36.7 -87.5-147.1 134.7 -14.7 -1.0 26.6 16 16 A E - 0 0 190 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 0.055 60.8 -81.9 -40.6 133.7 -13.8 2.7 26.6 17 17 A P - 0 0 113 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.098 54.0-158.3 -48.9 150.2 -12.6 4.3 23.3 18 18 A R - 0 0 152 -3,-0.1 2,-0.4 0, 0.0 -3,-0.0 -0.973 31.7-179.1-149.3 131.5 -9.1 4.0 22.2 19 19 A S + 0 0 39 -2,-0.3 3,-0.1 1,-0.1 28,-0.1 -0.996 13.4 164.3-132.3 128.6 -6.1 5.1 20.2 20 20 A Y S S+ 0 0 164 -2,-0.4 -1,-0.1 1,-0.1 68,-0.0 0.562 74.5 46.4-116.1 -23.8 -2.8 3.3 20.3 21 21 A N S S+ 0 0 63 2,-0.1 26,-0.6 68,-0.0 2,-0.2 -0.310 80.0 164.9-117.7 45.0 -0.7 4.4 17.3 22 22 A K E -a 47 0A 11 66,-0.4 68,-3.3 23,-0.2 69,-1.1 -0.393 15.9-171.5 -68.7 135.7 -1.4 8.1 17.8 23 23 A I E -ab 48 91A 0 24,-2.6 26,-2.2 66,-0.2 2,-0.4 -0.984 5.7-156.0-127.1 140.8 0.8 10.7 16.1 24 24 A T E -ab 49 92A 0 67,-3.2 69,-2.1 -2,-0.4 2,-0.5 -0.959 1.4-159.6-120.7 136.1 0.8 14.5 16.6 25 25 A V E -ab 50 93A 0 24,-3.0 26,-3.1 -2,-0.4 2,-0.6 -0.945 5.8-155.8-114.1 129.2 1.8 17.3 14.2 26 26 A V E +ab 51 94A 1 67,-2.8 69,-2.0 -2,-0.5 26,-0.2 -0.915 65.8 27.7-101.8 119.5 2.7 20.8 15.5 27 27 A G - 0 0 4 24,-2.8 25,-0.2 -2,-0.6 24,-0.1 0.442 58.4-145.3 108.5 116.7 2.4 23.6 13.0 28 28 A V + 0 0 0 4,-0.2 -1,-0.1 22,-0.1 24,-0.1 -0.251 61.5 117.5-112.6 48.4 -0.1 23.6 10.0 29 29 A G S > S- 0 0 43 66,-0.2 4,-1.7 4,-0.0 5,-0.1 0.292 89.7 -70.7 -86.4-150.7 2.3 25.5 7.7 30 30 A A H > S+ 0 0 40 2,-0.2 4,-0.9 3,-0.1 214,-0.0 0.827 135.7 44.0 -80.4 -34.9 3.6 24.1 4.4 31 31 A V H > S+ 0 0 37 64,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.864 115.6 48.6 -74.7 -44.6 5.9 21.6 6.1 32 32 A G H > S+ 0 0 0 63,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.910 112.1 45.0 -66.2 -49.7 3.3 20.6 8.6 33 33 A M H X S+ 0 0 28 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.793 116.0 50.3 -67.6 -24.6 0.4 20.0 6.2 34 34 A A H X S+ 0 0 3 -4,-0.9 4,-1.0 2,-0.2 -2,-0.2 0.906 112.4 45.2 -75.5 -47.3 2.9 18.1 3.9 35 35 A C H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.874 113.7 52.7 -61.0 -43.2 4.1 16.0 6.8 36 36 A A H X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.802 108.4 45.9 -68.2 -35.8 0.5 15.4 7.9 37 37 A I H X S+ 0 0 62 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.690 110.5 54.5 -83.4 -15.9 -0.9 14.2 4.5 38 38 A S H < S+ 0 0 20 -4,-1.0 4,-0.5 -3,-0.2 -2,-0.2 0.810 108.5 47.1 -81.3 -36.2 2.1 11.8 4.0 39 39 A I H ><>S+ 0 0 1 -4,-1.5 5,-1.3 2,-0.2 3,-0.6 0.921 114.6 48.9 -64.3 -44.2 1.6 10.0 7.3 40 40 A L H ><5S+ 0 0 0 -4,-1.4 3,-1.2 1,-0.2 33,-0.4 0.923 110.5 48.3 -65.8 -44.0 -2.2 9.8 6.5 41 41 A M T 3<5S+ 0 0 125 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.574 112.7 52.2 -69.8 -9.8 -1.6 8.4 3.0 42 42 A K T < 5S- 0 0 77 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.420 103.5-131.2-103.2 -13.9 0.9 5.9 4.5 43 43 A D T < 5 + 0 0 76 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.912 56.2 144.1 49.1 59.9 -1.5 4.6 7.2 44 44 A L < + 0 0 12 -5,-1.3 2,-0.3 1,-0.1 -4,-0.1 0.510 57.4 37.2 -97.8 -13.3 1.0 5.0 10.0 45 45 A A - 0 0 9 -6,-0.3 -23,-0.2 -5,-0.1 -1,-0.1 -0.998 57.4-145.7-144.6 144.5 -1.3 6.0 12.9 46 46 A D S S+ 0 0 47 -2,-0.3 30,-0.4 1,-0.2 2,-0.3 0.326 97.3 30.1 -87.7 7.2 -4.8 5.3 14.1 47 47 A E E -a 22 0A 17 -26,-0.6 -24,-2.6 28,-0.1 2,-0.5 -0.914 62.8-168.5-158.2 135.9 -5.1 8.9 15.2 48 48 A V E -ac 23 77A 1 28,-2.1 30,-2.4 -2,-0.3 2,-0.4 -0.992 8.9-169.3-129.8 120.3 -3.5 12.2 13.9 49 49 A A E -ac 24 78A 0 -26,-2.2 -24,-3.0 -2,-0.5 2,-0.5 -0.950 8.6-152.5-111.3 134.8 -3.9 15.3 16.0 50 50 A L E -ac 25 79A 0 28,-2.9 30,-2.8 -2,-0.4 2,-0.5 -0.923 11.4-169.8-112.3 125.7 -2.9 18.7 14.5 51 51 A V E +ac 26 80A 0 -26,-3.1 -24,-2.8 -2,-0.5 2,-0.3 -0.926 19.8 136.8-130.3 123.9 -1.7 21.6 16.7 52 52 A D - 0 0 23 28,-0.8 -2,-0.0 -2,-0.5 44,-0.0 -0.917 51.5-125.8-148.3 170.7 -1.1 25.2 15.9 53 53 A V S S+ 0 0 96 -2,-0.3 2,-1.5 1,-0.1 28,-0.1 0.609 88.7 91.9 -93.6 -18.5 -1.8 28.7 17.4 54 54 A M > - 0 0 90 1,-0.2 4,-2.4 2,-0.1 5,-0.2 -0.660 61.8-168.1 -85.6 89.4 -3.6 29.9 14.3 55 55 A E H > S+ 0 0 113 -2,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.881 79.1 42.4 -32.5 -71.4 -7.2 28.9 15.2 56 56 A D H > S+ 0 0 139 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.929 115.9 46.5 -50.4 -60.2 -8.9 29.4 11.8 57 57 A K H > S+ 0 0 101 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.853 113.4 51.5 -55.3 -40.1 -6.2 27.8 9.7 58 58 A L H X S+ 0 0 5 -4,-2.4 4,-2.4 2,-0.2 3,-0.3 0.943 111.0 46.3 -63.8 -51.5 -6.0 24.9 12.1 59 59 A K H X S+ 0 0 130 -4,-2.8 4,-1.8 1,-0.3 -2,-0.2 0.896 115.6 45.6 -60.7 -44.6 -9.8 24.3 12.0 60 60 A G H X S+ 0 0 41 -4,-2.9 4,-1.9 2,-0.2 -1,-0.3 0.695 112.2 50.9 -71.5 -26.4 -10.0 24.5 8.3 61 61 A E H X S+ 0 0 30 -4,-1.3 4,-1.7 -3,-0.3 -1,-0.2 0.877 110.5 50.8 -74.5 -43.8 -6.9 22.3 7.8 62 62 A M H X S+ 0 0 25 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.801 112.1 46.7 -57.3 -44.4 -8.5 19.8 10.1 63 63 A M H X S+ 0 0 72 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.889 106.0 55.8 -73.7 -48.5 -11.8 19.9 8.1 64 64 A D H X S+ 0 0 114 -4,-1.9 4,-0.6 1,-0.2 3,-0.2 0.959 113.2 45.8 -43.9 -56.2 -10.2 19.6 4.6 65 65 A L H >< S+ 0 0 23 -4,-1.7 3,-1.1 1,-0.2 -2,-0.2 0.863 110.4 50.0 -56.4 -50.5 -8.6 16.4 6.0 66 66 A Q H >< S+ 0 0 67 -4,-2.0 3,-2.3 1,-0.2 -1,-0.2 0.820 100.3 65.5 -59.6 -32.7 -11.7 14.9 7.6 67 67 A H H 3< S+ 0 0 141 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.778 98.5 54.9 -66.8 -18.9 -13.7 15.4 4.5 68 68 A G T XX S+ 0 0 18 -3,-1.1 3,-2.6 -4,-0.6 4,-0.6 0.250 72.0 118.6 -94.1 5.3 -11.5 12.9 2.8 69 69 A S G X4 + 0 0 58 -3,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.838 67.1 60.7 -41.4 -52.3 -12.1 10.3 5.4 70 70 A L G 34 S+ 0 0 153 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.698 104.1 51.1 -45.4 -32.2 -13.6 7.9 2.9 71 71 A F G <4 S+ 0 0 167 -3,-2.6 -1,-0.3 2,-0.0 -2,-0.2 0.537 107.7 61.4 -90.1 -10.5 -10.3 7.8 1.0 72 72 A L << - 0 0 24 -3,-1.8 -31,-0.1 -4,-0.6 -32,-0.0 -0.548 67.4-137.1-113.6-179.3 -8.1 7.0 4.1 73 73 A H + 0 0 154 -33,-0.4 2,-0.6 -2,-0.2 -3,-0.1 -0.024 69.9 104.6-125.7 19.6 -7.5 4.5 6.7 74 74 A T - 0 0 9 -5,-0.2 -28,-0.1 1,-0.1 -2,-0.1 -0.957 55.4-157.3-113.5 120.5 -7.0 6.8 9.8 75 75 A A S S+ 0 0 97 -2,-0.6 2,-0.4 -29,-0.3 -28,-0.1 0.785 70.9 31.5 -65.2 -38.2 -10.1 6.7 12.0 76 76 A K + 0 0 100 -30,-0.4 -28,-2.1 2,-0.0 2,-0.4 -0.978 55.2 179.5-139.4 118.9 -9.7 9.9 13.9 77 77 A I E +c 48 0A 11 -2,-0.4 2,-0.3 -30,-0.2 -28,-0.2 -0.949 17.9 168.6-115.2 135.2 -8.2 13.3 12.8 78 78 A V E -c 49 0A 29 -30,-2.4 -28,-2.9 -2,-0.4 2,-0.3 -0.966 18.9-158.6-146.5 163.1 -8.3 16.1 15.3 79 79 A S E +c 50 0A 22 -2,-0.3 2,-0.3 -30,-0.3 -28,-0.2 -0.986 13.0 174.8-141.6 144.9 -6.8 19.6 15.8 80 80 A G E -c 51 0A 9 -30,-2.8 -28,-0.8 -2,-0.3 -2,-0.0 -0.980 37.0-155.2-156.2 151.3 -6.3 21.8 18.8 81 81 A K S S+ 0 0 101 -2,-0.3 2,-0.2 -30,-0.2 -1,-0.1 0.653 92.1 76.0 -83.1 -30.9 -4.8 25.1 19.9 82 82 A D S > S- 0 0 92 1,-0.1 3,-0.8 -3,-0.1 -30,-0.1 -0.586 83.3-137.5 -84.2 149.8 -4.6 23.3 23.3 83 83 A Y G > S+ 0 0 23 1,-0.2 3,-2.4 -2,-0.2 4,-0.3 0.717 93.9 78.0 -84.4 -16.5 -1.9 20.7 23.9 84 84 A S G > S+ 0 0 56 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.702 80.9 72.2 -65.8 -19.1 -4.2 18.2 25.6 85 85 A V G < S+ 0 0 45 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.1 0.601 95.7 51.8 -63.4 -18.4 -5.5 17.4 22.1 86 86 A S G X S+ 0 0 0 -3,-2.4 3,-0.9 -4,-0.1 2,-0.5 0.410 79.0 140.7-100.9 -5.6 -2.1 15.6 21.6 87 87 A A T < + 0 0 47 -3,-1.2 41,-0.2 -4,-0.3 -3,-0.1 -0.264 67.5 17.1 -42.4 97.2 -2.5 13.6 24.8 88 88 A G T 3 S+ 0 0 45 -2,-0.5 -66,-0.4 39,-0.3 2,-0.2 0.727 79.7 159.3 113.8 35.8 -1.2 10.1 24.2 89 89 A S < - 0 0 6 -3,-0.9 -66,-0.2 1,-0.1 -1,-0.2 -0.565 37.2-155.4 -92.9 145.6 0.9 10.3 21.1 90 90 A K S S+ 0 0 77 -68,-3.3 42,-1.4 1,-0.3 2,-0.3 0.833 86.8 21.6 -77.0 -46.7 3.6 7.7 20.1 91 91 A L E -bd 23 132A 0 -69,-1.1 -67,-3.2 40,-0.2 2,-0.4 -0.979 61.4-162.5-138.4 140.1 5.3 10.4 18.0 92 92 A V E -bd 24 133A 0 40,-2.0 42,-3.8 -2,-0.3 2,-0.5 -0.996 6.2-162.6-123.9 126.6 5.4 14.2 17.8 93 93 A V E -bd 25 134A 0 -69,-2.1 -67,-2.8 -2,-0.4 2,-0.6 -0.947 10.1-155.7-106.9 122.6 6.7 16.1 14.7 94 94 A I E +bd 26 135A 1 40,-2.3 42,-2.4 -2,-0.5 43,-1.6 -0.928 29.0 155.1-108.3 123.4 7.5 19.7 15.3 95 95 A T + 0 0 21 -69,-2.0 2,-0.4 -2,-0.6 -63,-0.3 -0.075 37.5 113.8-132.4 23.9 7.4 22.0 12.3 96 96 A A + 0 0 14 -65,-0.1 2,-0.3 -69,-0.1 41,-0.1 -0.902 37.2 122.3-105.7 133.2 6.8 25.4 14.1 97 97 A G - 0 0 42 -2,-0.4 2,-0.2 40,-0.1 -2,-0.0 -0.945 58.0 -95.1-173.7 174.9 9.5 28.0 14.0 98 98 A A - 0 0 19 -2,-0.3 40,-0.1 11,-0.2 15,-0.1 -0.581 33.3-135.3 -95.6 157.4 10.5 31.6 13.0 99 99 A R - 0 0 218 -2,-0.2 10,-0.1 1,-0.0 -1,-0.0 0.428 39.0-100.0-109.3 4.4 12.2 32.1 9.6 100 100 A Q - 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0 0 68 -6,-0.2 2,-0.1 2,-0.0 -5,-0.0 -0.879 57.2-138.2 143.7-158.6 38.7 8.1 -7.4 218 218 A N + 0 0 18 -2,-0.3 3,-0.1 6,-0.0 -6,-0.1 -0.291 55.5 101.3 153.5 130.5 37.1 11.4 -6.6 219 219 A K S S+ 0 0 50 1,-0.2 2,-0.5 -2,-0.1 3,-0.1 0.098 86.8 53.1-161.7 -51.0 36.9 14.0 -4.0 220 220 A D S S- 0 0 134 1,-0.2 -1,-0.2 3,-0.0 0, 0.0 -0.955 108.8 -17.6-116.2 125.1 39.3 16.6 -5.4 221 221 A K S S+ 0 0 137 -2,-0.5 -1,-0.2 -3,-0.1 0, 0.0 0.881 88.3 78.7 23.0 108.9 38.9 17.9 -8.9 222 222 A Q S S- 0 0 116 -3,-0.1 -2,-0.0 -4,-0.0 0, 0.0 0.069 96.9 -75.9 158.4 82.5 37.0 16.7 -12.0 223 223 A D S S+ 0 0 70 1,-0.2 -3,-0.0 2,-0.1 0, 0.0 0.583 103.0 90.8 6.6 95.5 33.2 17.6 -11.7 224 224 A W S > S+ 0 0 44 -5,-0.1 3,-2.7 0, 0.0 4,-0.2 0.059 72.1 75.7-161.8 -41.4 31.4 15.2 -9.2 225 225 A K T >> S+ 0 0 50 1,-0.3 3,-2.4 2,-0.2 4,-0.7 0.809 82.6 74.1 -46.6 -34.1 32.0 17.4 -6.2 226 226 A K H >> S+ 0 0 61 1,-0.3 4,-1.9 2,-0.2 3,-0.5 0.761 77.1 76.1 -49.8 -31.3 29.2 19.5 -7.8 227 227 A L H <4 S+ 0 0 9 -3,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.715 97.1 45.4 -61.9 -19.0 26.8 16.8 -6.6 228 228 A H H <> S+ 0 0 33 -3,-2.4 4,-1.5 -4,-0.2 -1,-0.3 0.794 105.9 57.8 -94.8 -31.5 27.1 18.2 -3.1 229 229 A K H X S+ 0 0 82 -4,-1.7 3,-5.4 2,-0.2 4,-2.7 0.899 102.0 63.0 -84.1 -61.1 21.8 24.9 -3.5 234 234 A S H 3X S+ 0 0 42 -4,-0.8 4,-1.3 1,-0.3 -1,-0.1 0.652 99.7 65.1 -44.4 -17.5 19.0 23.3 -5.5 235 235 A A H 3> S+ 0 0 14 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.631 104.2 39.3 -77.6 -28.8 17.3 23.7 -2.1 236 236 A Y H <> S+ 0 0 101 -3,-5.4 4,-3.0 2,-0.2 -2,-0.2 0.662 109.1 65.1 -90.0 -26.5 17.4 27.5 -2.4 237 237 A E H X S+ 0 0 105 -4,-2.7 4,-0.8 2,-0.2 -2,-0.2 0.921 99.3 51.7 -55.7 -49.2 16.6 27.0 -6.0 238 238 A V H >X>S+ 0 0 46 -4,-1.3 4,-3.6 1,-0.2 3,-1.3 0.945 111.7 44.4 -50.8 -67.1 13.3 25.6 -4.9 239 239 A I H 3X5S+ 0 0 83 -4,-0.9 4,-1.9 1,-0.3 -1,-0.2 0.882 109.3 55.5 -42.9 -56.9 12.3 28.5 -2.7 240 240 A K H 3<5S+ 0 0 154 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.729 120.3 35.9 -49.6 -22.5 13.5 31.1 -5.2 241 241 A L H <<5S+ 0 0 126 -3,-1.3 -2,-0.2 -4,-0.8 -1,-0.2 0.858 134.5 17.3 -99.5 -49.4 11.1 29.3 -7.6 242 242 A K H <5S- 0 0 81 -4,-3.6 -3,-0.2 2,-0.2 -2,-0.2 0.704 95.6-118.9-103.1 -26.8 8.1 28.2 -5.5 243 243 A G S < + 0 0 4 -2,-0.4 4,-3.1 -212,-0.1 5,-0.2 0.548 56.1 65.5-148.3 -47.8 7.1 21.0 1.6 247 247 A W H > S+ 0 0 162 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.914 105.9 39.9 -60.7 -54.0 6.7 17.9 -0.5 248 248 A A H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.821 118.1 51.5 -72.3 -34.6 10.1 16.2 -0.3 249 249 A I H > S+ 0 0 18 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.961 108.5 48.1 -64.6 -61.9 10.3 17.1 3.3 250 250 A G H >X S+ 0 0 0 -4,-3.1 4,-1.8 2,-0.2 3,-0.7 0.930 114.5 47.8 -43.7 -52.2 6.9 15.7 4.3 251 251 A L H 3X S+ 0 0 110 -4,-2.2 4,-2.2 1,-0.3 -1,-0.2 0.910 107.7 55.8 -59.8 -46.0 7.8 12.4 2.4 252 252 A S H 3X S+ 0 0 11 -4,-2.2 4,-1.1 1,-0.2 -1,-0.3 0.875 109.1 47.7 -44.9 -44.5 11.1 12.3 4.1 253 253 A V H S+ 0 0 0 -4,-1.4 5,-2.5 -5,-0.2 4,-0.3 0.952 118.2 41.3 -45.8 -58.2 10.6 3.0 10.6 260 260 A I H ><5S+ 0 0 2 -4,-2.0 3,-0.8 3,-0.2 -2,-0.2 0.933 118.5 44.3 -59.7 -55.9 9.8 4.1 14.1 261 261 A M H 3<5S+ 0 0 28 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.777 118.7 43.1 -61.5 -35.5 6.1 3.1 14.2 262 262 A K T 3<5S- 0 0 106 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.353 107.9-125.6 -99.9 9.6 6.8 -0.3 12.5 263 263 A N T < 5 + 0 0 74 -3,-0.8 -3,-0.2 -4,-0.3 -4,-0.1 0.850 51.5 161.1 53.9 46.8 9.8 -0.8 14.7 264 264 A L < - 0 0 72 -5,-2.5 29,-0.2 -6,-0.2 -4,-0.1 0.721 41.8-138.9 -75.9 -31.8 12.0 -1.4 11.7 265 265 A C + 0 0 72 27,-3.1 2,-0.3 1,-0.2 28,-0.2 0.920 46.0 162.4 71.4 42.1 15.7 -0.9 12.8 266 266 A R E - H 0 292A 84 26,-0.7 26,-1.9 -10,-0.1 2,-0.6 -0.683 40.7-114.2 -95.9 146.5 16.3 0.9 9.5 267 267 A V E + H 0 291A 62 -2,-0.3 24,-0.2 24,-0.2 33,-0.0 -0.870 38.9 174.0 -93.1 119.3 19.3 3.1 9.2 268 268 A H E - H 0 290A 11 22,-2.8 22,-3.4 -2,-0.6 2,-1.5 -0.970 38.2-126.0-127.3 140.3 18.8 6.8 8.8 269 269 A P E + H 0 289A 6 0, 0.0 -106,-0.4 0, 0.0 2,-0.3 -0.637 57.5 152.3 -78.0 88.7 21.1 9.9 8.8 270 270 A V E - H 0 288A 0 18,-1.5 18,-1.4 -2,-1.5 2,-0.6 -0.792 52.6 -89.7-123.7 160.6 19.3 11.8 11.5 271 271 A S E +FH 160 287A 0 -111,-3.1 -111,-1.6 -2,-0.3 2,-0.2 -0.609 57.7 156.6 -83.4 119.4 20.3 14.4 14.0 272 272 A T E - H 0 286A 9 14,-2.7 14,-2.0 -2,-0.6 2,-0.5 -0.805 52.5 -77.2-129.1 173.3 21.5 12.8 17.3 273 273 A M E + H 0 285A 18 -2,-0.2 12,-0.2 12,-0.2 10,-0.1 -0.703 42.9 179.6 -74.7 114.5 23.7 13.5 20.3 274 274 A V > + 0 0 2 10,-2.0 3,-1.2 -2,-0.5 6,-0.4 -0.018 21.2 151.4-111.6 20.3 27.2 13.0 19.0 275 275 A K T 3 S+ 0 0 77 1,-0.3 6,-0.2 9,-0.2 8,-0.1 -0.476 73.7 4.6 -62.9 122.0 28.9 13.8 22.3 276 276 A D T 3 S+ 0 0 108 4,-4.0 2,-0.4 -2,-0.2 -1,-0.3 0.763 101.4 116.8 57.0 47.8 32.3 12.0 22.5 277 277 A F S < S+ 0 0 56 -3,-1.2 -1,-0.2 3,-0.3 3,-0.1 -0.940 86.6 3.2-132.2 99.5 32.0 10.6 19.0 278 278 A Y S S- 0 0 33 -2,-0.4 36,-0.1 1,-0.2 3,-0.1 0.747 133.6 -60.1 84.4 29.4 34.7 11.8 16.6 279 279 A G S S+ 0 0 53 1,-0.3 2,-0.5 2,-0.0 -1,-0.2 0.588 93.5 148.1 71.7 21.9 36.4 13.7 19.4 280 280 A I - 0 0 4 -6,-0.4 -4,-4.0 1,-0.1 -3,-0.3 -0.724 23.7-175.8 -84.0 126.6 33.4 15.9 20.1 281 281 A K + 0 0 174 -2,-0.5 2,-0.2 -6,-0.2 -1,-0.1 0.721 50.5 58.8-104.4 -15.7 33.3 16.8 23.8 282 282 A D S S- 0 0 57 -8,-0.1 2,-1.3 1,-0.0 -8,-0.1 -0.529 94.1 -75.3-116.3 178.2 30.1 18.8 24.4 283 283 A N S S+ 0 0 48 -2,-0.2 2,-0.4 -8,-0.1 -1,-0.0 -0.529 71.2 139.2 -72.3 78.4 26.3 18.6 24.1 284 284 A V - 0 0 0 -2,-1.3 -10,-2.0 -4,-0.0 2,-0.4 -0.988 41.2-145.7-132.0 136.5 25.8 19.0 20.3 285 285 A F E + H 0 273A 1 -144,-0.4 2,-0.3 -2,-0.4 -12,-0.2 -0.859 31.7 147.5-102.1 131.4 23.4 17.2 17.9 286 286 A L E - H 0 272A 2 -14,-2.0 -14,-2.7 -2,-0.4 2,-0.3 -0.927 49.4 -72.0-153.8 173.8 24.5 16.5 14.3 287 287 A S E +GH 191 271A 0 -96,-2.4 -96,-1.9 -2,-0.3 -16,-0.2 -0.609 49.7 153.3 -90.6 141.3 23.7 13.7 11.8 288 288 A L E - H 0 270A 2 -18,-1.4 -18,-1.5 -2,-0.3 2,-0.6 -0.834 56.3 -87.7-148.0 150.3 25.1 10.2 12.0 289 289 A P E - H 0 269A 4 0, 0.0 12,-3.0 0, 0.0 2,-0.4 -0.658 55.9-173.8 -68.9 112.1 23.5 7.0 10.5 290 290 A C E -IH 300 268A 0 -22,-3.4 -22,-2.8 -2,-0.6 2,-0.5 -0.878 26.8-130.3-113.1 144.7 21.1 5.7 13.3 291 291 A V E -IH 299 267A 22 8,-1.6 7,-2.0 -2,-0.4 8,-1.2 -0.839 32.0-156.9 -82.0 133.3 19.1 2.6 13.6 292 292 A L E +IH 297 266A 0 -26,-1.9 -27,-3.1 -2,-0.5 -26,-0.7 -0.896 21.8 158.6-116.9 143.9 15.5 3.5 14.6 293 293 A N E > -I 296 0A 27 3,-2.1 3,-1.6 -2,-0.4 -33,-0.1 -0.704 61.9 -68.3-137.6-164.7 12.8 1.5 16.4 294 294 A D T 3 S+ 0 0 61 1,-0.3 3,-0.1 -2,-0.2 -34,-0.1 0.494 128.6 55.0 -73.4 -8.6 9.6 2.5 18.3 295 295 A H T 3 S- 0 0 120 1,-0.3 2,-0.4 -164,-0.0 -1,-0.3 0.059 114.8-110.6-104.6 12.6 11.6 4.0 21.2 296 296 A G E < S+I 293 0A 0 -3,-1.6 -3,-2.1 -139,-0.1 2,-0.8 -0.805 85.6 22.7 94.5-122.9 13.5 6.4 19.0 297 297 A I E +I 292 0A 21 -141,-2.6 -5,-0.2 -2,-0.4 3,-0.1 -0.679 56.1 173.2 -83.2 106.1 17.3 5.9 18.4 298 298 A S E - 0 0 46 -7,-2.0 2,-0.3 -2,-0.8 -6,-0.2 0.773 62.6 -16.7 -81.7 -29.3 18.3 2.3 19.1 299 299 A N E -I 291 0A 102 -8,-1.2 -8,-1.6 -143,-0.1 2,-0.4 -0.960 57.9-114.6-165.6 171.7 21.9 2.5 17.9 300 300 A I E -I 290 0A 34 -2,-0.3 2,-0.8 -10,-0.2 -10,-0.2 -0.949 20.6-133.1-124.0 139.9 24.6 4.4 16.0 301 301 A V - 0 0 57 -12,-3.0 2,-1.3 -2,-0.4 -2,-0.0 -0.847 24.1-139.1 -92.5 107.0 26.4 3.3 12.9 302 302 A K - 0 0 164 -2,-0.8 -1,-0.0 -14,-0.1 -14,-0.0 -0.516 20.3-162.3 -72.1 97.8 30.1 4.0 13.5 303 303 A M - 0 0 34 -2,-1.3 2,-0.6 1,-0.1 0, 0.0 -0.422 18.7-130.9 -75.4 166.1 31.5 5.4 10.3 304 304 A K - 0 0 194 -2,-0.0 2,-0.2 0, 0.0 -1,-0.1 -0.950 37.5-176.1-116.2 85.8 35.2 5.4 9.7 305 305 A L - 0 0 21 -2,-0.6 -105,-0.0 1,-0.1 -27,-0.0 -0.482 25.7-115.2 -87.7 159.7 35.7 9.0 8.6 306 306 A K > - 0 0 82 -2,-0.2 4,-3.3 1,-0.1 3,-0.2 -0.457 31.6-110.8 -82.9 165.2 38.9 10.6 7.5 307 307 A P H > S+ 0 0 84 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.847 120.0 62.0 -61.3 -38.9 40.4 13.4 9.6 308 308 A N H > S+ 0 0 75 2,-0.2 4,-1.2 1,-0.2 -3,-0.0 0.892 113.2 37.5 -49.9 -47.9 39.5 15.9 6.8 309 309 A E H > S+ 0 0 8 -3,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.888 116.7 46.8 -71.2 -58.2 35.9 14.8 7.5 310 310 A E H X S+ 0 0 63 -4,-3.3 4,-2.0 2,-0.2 -2,-0.2 0.816 109.1 59.2 -67.5 -25.9 35.9 14.4 11.3 311 311 A Q H X S+ 0 0 114 -4,-3.1 4,-2.1 1,-0.2 3,-0.5 0.966 106.4 46.3 -60.6 -57.0 37.7 17.8 11.4 312 312 A Q H X S+ 0 0 94 -4,-1.2 4,-0.8 1,-0.2 -1,-0.2 0.753 109.6 56.4 -50.7 -34.8 34.7 19.4 9.6 313 313 A L H >X S+ 0 0 2 -4,-1.3 4,-1.3 2,-0.2 3,-0.5 0.904 107.3 47.2 -66.6 -49.8 32.5 17.5 12.0 314 314 A Q H 3X S+ 0 0 69 -4,-2.0 4,-1.5 -3,-0.5 -2,-0.2 0.785 103.7 61.4 -63.9 -40.4 34.2 19.1 15.0 315 315 A K H 3X S+ 0 0 137 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.748 106.4 47.8 -63.1 -25.7 34.0 22.6 13.4 316 316 A S H