==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-JUN-03 1PS7 . COMPND 2 MOLECULE: 4-HYDROXYTHREONINE-4-PHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.SIVARAMAN,Y.LI,J.BANKS,D.E.CANE,A.MATTE,M.CYGLER . 1312 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48912.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 911 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 146 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 4.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.5 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 0.1 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 . 103 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 371 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 2.7 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 14 0 4 2 8 1 8 3 0 0 0 3 3 5 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 14 16 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 0 PARALLEL BRIDGES PER LADDER . 3 3 4 1 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 V 0 0 163 0, 0.0 2,-0.4 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 116.3 4.4 -26.6 -1.3 2 3 A K - 0 0 167 1,-0.1 2,-0.0 61,-0.0 0, 0.0 -0.771 360.0-110.2 -94.0 131.6 3.2 -24.2 -4.0 3 4 A T - 0 0 44 -2,-0.4 61,-0.4 61,-0.4 2,-0.2 -0.375 40.2-133.3 -59.5 135.3 5.7 -23.0 -6.7 4 5 A Q - 0 0 83 26,-0.4 28,-3.1 -2,-0.0 2,-0.4 -0.537 7.7-136.0 -96.3 160.3 6.5 -19.3 -6.1 5 6 A R E -a 32 0A 28 26,-0.2 108,-3.4 -2,-0.2 109,-0.5 -0.907 14.5-172.0-115.7 139.8 6.7 -16.3 -8.4 6 7 A V E -a 33 0A 0 26,-2.3 28,-3.2 -2,-0.4 2,-0.4 -0.985 15.1-141.1-130.0 141.1 9.3 -13.6 -8.6 7 8 A V E -ab 34 115A 0 107,-2.5 109,-2.1 -2,-0.4 2,-0.4 -0.878 15.8-167.3-104.2 134.3 9.2 -10.4 -10.7 8 9 A I E -ab 35 116A 0 26,-1.9 28,-1.9 -2,-0.4 109,-0.2 -0.972 9.1-159.5-121.9 133.3 12.3 -9.1 -12.4 9 10 A T E - b 0 117A 0 107,-1.5 109,-3.0 -2,-0.4 28,-0.1 -0.938 3.9-162.7-112.7 109.4 12.8 -5.7 -14.0 10 11 A P - 0 0 1 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.850 32.2-163.4 -59.1 -29.2 15.7 -5.7 -16.5 11 12 A G + 0 0 1 6,-0.1 109,-0.2 -3,-0.1 4,-0.1 -0.537 54.0 41.8 83.8-150.4 15.6 -1.9 -16.2 12 13 A E > - 0 0 1 107,-0.7 3,-0.9 -2,-0.2 5,-0.5 -0.018 66.5-152.8 -36.1 113.5 17.3 0.4 -18.7 13 14 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 70,-0.0 0.857 97.1 49.2 -60.4 -39.4 16.5 -1.1 -22.2 14 15 A A T 3 S+ 0 0 2 71,-0.1 72,-1.5 72,-0.1 289,-0.2 0.607 104.4 84.7 -77.0 -11.0 19.7 0.4 -23.7 15 16 A G S < S- 0 0 0 -3,-0.9 4,-0.3 104,-0.2 289,-0.2 -0.027 97.2-102.6 -79.3-172.3 21.5 -1.0 -20.7 16 17 A I S > S+ 0 0 8 282,-1.8 4,-2.7 1,-0.2 5,-0.2 0.419 98.9 93.9 -93.1 -2.2 23.0 -4.5 -20.2 17 18 A G H > S+ 0 0 0 -5,-0.5 4,-2.1 102,-0.3 -1,-0.2 0.915 84.1 49.6 -57.1 -46.3 20.1 -5.5 -17.9 18 19 A P H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.879 111.1 50.7 -62.1 -36.3 18.1 -7.0 -20.8 19 20 A D H > S+ 0 0 2 -4,-0.3 4,-1.8 2,-0.2 3,-0.5 0.972 109.7 49.0 -63.1 -55.4 21.2 -9.0 -21.8 20 21 A L H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.3 -1,-0.2 0.836 108.9 54.4 -52.8 -37.8 21.8 -10.3 -18.3 21 22 A V H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -1,-0.3 0.885 104.5 53.2 -66.9 -38.1 18.1 -11.4 -18.1 22 23 A V H < S+ 0 0 0 -4,-1.6 4,-0.4 -3,-0.5 -1,-0.2 0.898 109.9 49.0 -63.0 -39.9 18.4 -13.4 -21.3 23 24 A Q H >< S+ 0 0 40 -4,-1.8 3,-1.4 1,-0.2 -2,-0.2 0.884 107.1 55.2 -66.4 -39.8 21.4 -15.2 -19.7 24 25 A L H >< S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.3 -2,-0.2 0.937 100.6 60.2 -57.8 -46.1 19.4 -15.9 -16.5 25 26 A A T 3< S+ 0 0 0 -4,-2.2 45,-2.0 1,-0.3 46,-1.2 0.634 83.5 83.5 -57.7 -15.5 16.7 -17.5 -18.6 26 27 A Q T < S+ 0 0 57 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.3 0.335 90.3 54.2 -74.7 9.9 19.2 -20.1 -19.8 27 28 A R S < S- 0 0 117 -3,-1.2 44,-0.3 44,-0.2 2,-0.2 -0.874 87.6 -90.4-140.6 173.1 18.7 -22.2 -16.7 28 29 A E - 0 0 115 -2,-0.3 40,-0.2 40,-0.2 -2,-0.1 -0.541 38.4-170.3 -79.4 148.3 16.3 -24.0 -14.5 29 30 A W - 0 0 12 38,-1.6 4,-0.1 -2,-0.2 38,-0.1 -0.997 29.0-137.2-141.2 141.6 14.8 -22.2 -11.5 30 31 A P S S+ 0 0 86 0, 0.0 -26,-0.4 0, 0.0 2,-0.2 0.650 92.9 50.5 -71.7 -14.6 12.8 -23.4 -8.6 31 32 A V S S- 0 0 8 -28,-0.1 36,-2.3 36,-0.1 2,-0.5 -0.729 96.3 -99.7-117.2 166.9 10.5 -20.4 -9.0 32 33 A E E -a 5 0A 0 -28,-3.1 -26,-2.3 34,-0.3 2,-0.9 -0.770 32.7-138.1 -88.5 131.2 8.7 -18.9 -11.9 33 34 A L E -a 6 0A 0 -2,-0.5 40,-2.5 32,-0.2 2,-1.0 -0.801 17.0-169.6 -93.5 103.5 10.5 -15.9 -13.4 34 35 A V E -ac 7 73A 0 -28,-3.2 -26,-1.9 -2,-0.9 2,-0.8 -0.799 8.6-161.9 -93.8 100.0 8.0 -13.2 -14.3 35 36 A V E -ac 8 74A 0 38,-2.8 40,-1.8 -2,-1.0 2,-1.2 -0.740 7.2-154.0 -89.5 110.9 9.9 -10.6 -16.3 36 37 A C + 0 0 0 -28,-1.9 2,-0.3 -2,-0.8 67,-0.1 -0.693 55.1 92.3 -85.4 95.2 8.2 -7.2 -16.5 37 38 A A S S- 0 0 0 -2,-1.2 40,-0.3 38,-0.2 2,-0.3 -0.967 81.8 -60.3-168.3 176.2 9.6 -5.8 -19.8 38 39 A D > - 0 0 15 -2,-0.3 4,-2.3 38,-0.2 5,-0.2 -0.552 35.6-147.7 -74.9 129.3 9.1 -5.5 -23.6 39 40 A A H > S+ 0 0 30 -2,-0.3 4,-3.9 1,-0.2 5,-0.2 0.947 99.5 52.3 -62.1 -49.5 8.9 -8.8 -25.4 40 41 A T H > S+ 0 0 80 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.881 108.9 53.0 -54.1 -39.3 10.5 -7.4 -28.6 41 42 A L H > S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.981 113.3 41.5 -58.7 -58.7 13.3 -6.0 -26.4 42 43 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.918 115.9 51.8 -55.6 -47.6 13.9 -9.4 -24.8 43 44 A T H X S+ 0 0 75 -4,-3.9 4,-2.4 2,-0.2 -2,-0.2 0.946 113.0 41.2 -56.8 -55.8 13.5 -11.2 -28.2 44 45 A N H X S+ 0 0 100 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.954 115.4 48.8 -58.9 -54.7 16.0 -9.0 -30.2 45 46 A R H X S+ 0 0 11 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.919 111.2 51.7 -52.8 -46.2 18.7 -8.8 -27.5 46 47 A A H X>S+ 0 0 3 -4,-2.4 5,-2.1 -5,-0.3 4,-1.5 0.949 109.8 50.8 -55.4 -48.6 18.4 -12.6 -27.0 47 48 A A H <5S+ 0 0 70 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.921 109.3 49.1 -55.0 -50.8 18.9 -13.0 -30.8 48 49 A X H <5S+ 0 0 138 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.914 110.0 51.5 -56.4 -46.2 22.0 -10.8 -30.9 49 50 A L H <5S- 0 0 28 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.782 112.3-121.3 -63.6 -26.3 23.6 -12.6 -28.0 50 51 A G T <5 + 0 0 60 -4,-1.5 -3,-0.2 -3,-0.5 -2,-0.1 0.703 68.2 134.1 89.7 22.8 23.0 -15.9 -29.8 51 52 A L < - 0 0 53 -5,-2.1 -1,-0.3 -6,-0.2 2,-0.2 -0.901 56.5-122.1-111.1 133.2 20.9 -17.3 -26.9 52 53 A P + 0 0 86 0, 0.0 2,-0.4 0, 0.0 18,-0.0 -0.505 33.0 179.9 -74.0 134.8 17.6 -19.0 -27.3 53 54 A L - 0 0 35 -2,-0.2 2,-0.4 -10,-0.1 18,-0.2 -0.987 14.2-174.9-135.7 145.5 14.6 -17.5 -25.5 54 55 A T E -d 71 0A 94 16,-0.9 18,-1.7 -2,-0.4 2,-0.3 -0.931 14.5-152.8-141.5 113.3 11.0 -18.5 -25.3 55 56 A L E -d 72 0A 48 -2,-0.4 18,-0.2 16,-0.2 -2,-0.0 -0.697 8.2-168.4 -90.0 139.0 8.6 -16.3 -23.5 56 57 A R E -d 73 0A 73 16,-2.2 18,-2.6 -2,-0.3 2,-0.1 -0.957 31.4-100.2-122.2 143.9 5.4 -17.7 -22.0 57 58 A P E -d 74 0A 93 0, 0.0 2,-0.6 0, 0.0 18,-0.1 -0.315 30.5-107.6 -69.2 144.8 2.6 -15.5 -20.7 58 59 A Y - 0 0 32 16,-2.0 -24,-0.0 -23,-0.1 15,-0.0 -0.579 35.7-172.0 -69.7 112.8 2.0 -14.5 -17.1 59 60 A S > + 0 0 45 -2,-0.6 3,-1.6 1,-0.2 -1,-0.1 -0.764 8.6 178.7-111.7 85.5 -1.1 -16.4 -16.1 60 61 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.798 79.4 56.3 -54.1 -35.3 -2.1 -15.1 -12.6 61 62 A N T 3 S+ 0 0 163 2,-0.1 3,-0.0 3,-0.0 -2,-0.0 0.099 100.1 75.9 -88.3 24.6 -5.1 -17.4 -12.4 62 63 A S S < S- 0 0 56 -3,-1.6 3,-0.1 3,-0.0 -3,-0.1 -0.940 94.8 -87.0-133.0 154.6 -3.0 -20.5 -12.9 63 64 A P - 0 0 89 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 -0.300 53.2-107.3 -57.8 144.0 -0.7 -22.5 -10.7 64 65 A A - 0 0 6 -61,-0.4 -61,-0.4 -4,-0.1 -59,-0.1 -0.505 33.3-153.8 -75.4 143.6 2.9 -21.1 -10.8 65 66 A Q - 0 0 88 -2,-0.2 -32,-0.2 -3,-0.1 -34,-0.1 -0.963 22.2-107.8-123.0 136.2 5.4 -23.2 -12.8 66 67 A P - 0 0 51 0, 0.0 2,-0.4 0, 0.0 -34,-0.3 -0.337 44.3-106.0 -59.2 137.4 9.2 -23.3 -12.2 67 68 A Q - 0 0 0 -36,-2.3 -38,-1.6 -38,-0.1 2,-0.2 -0.516 36.0-146.4 -72.0 122.0 11.0 -21.5 -15.1 68 69 A T > - 0 0 70 -2,-0.4 3,-1.4 -40,-0.2 -41,-0.2 -0.598 32.9 -76.3 -90.6 150.8 12.7 -24.0 -17.4 69 70 A A T 3 S+ 0 0 49 1,-0.3 -43,-0.3 -2,-0.2 -1,-0.1 -0.024 117.5 20.9 -44.4 137.6 16.0 -23.4 -19.3 70 71 A G T 3 S+ 0 0 10 -45,-2.0 -16,-0.9 1,-0.2 2,-0.3 0.552 112.7 96.5 77.7 9.2 15.8 -21.1 -22.4 71 72 A T E < + d 0 54A 18 -3,-1.4 2,-0.3 -46,-1.2 -1,-0.2 -0.907 42.7 174.2-135.6 160.5 12.5 -19.6 -21.1 72 73 A L E - d 0 55A 0 -18,-1.7 -16,-2.2 -2,-0.3 2,-0.4 -0.944 30.6-119.0-151.8 160.3 11.0 -16.7 -19.1 73 74 A T E -cd 34 56A 0 -40,-2.5 -38,-2.8 -2,-0.3 2,-0.4 -0.854 32.3-134.0-104.9 145.1 7.4 -15.7 -18.3 74 75 A L E +cd 35 57A 21 -18,-2.6 -16,-2.0 -2,-0.4 -38,-0.2 -0.878 29.7 175.3-114.1 134.3 6.2 -12.2 -19.6 75 76 A L - 0 0 18 -40,-1.8 -38,-0.2 -2,-0.4 27,-0.0 -0.798 42.4-139.8-126.4 80.2 4.4 -9.3 -17.9 76 77 A P + 0 0 90 0, 0.0 2,-0.3 0, 0.0 -38,-0.2 0.020 33.6 170.7 -51.7 142.3 4.5 -6.8 -20.9 77 78 A V - 0 0 12 -40,-0.3 2,-0.3 25,-0.0 -2,-0.1 -0.932 35.4-123.9-148.1 126.9 5.1 -3.1 -20.8 78 79 A A - 0 0 62 -2,-0.3 2,-0.1 -40,-0.1 -40,-0.0 -0.595 15.3-116.0 -87.4 142.1 5.7 -1.5 -24.2 79 80 A L - 0 0 35 -2,-0.3 -1,-0.1 1,-0.2 13,-0.1 -0.402 13.8-147.0 -65.6 144.6 8.7 0.5 -25.3 80 81 A R S S+ 0 0 124 1,-0.2 -1,-0.2 -2,-0.1 12,-0.1 0.708 85.4 15.2 -86.0 -20.4 7.7 4.1 -26.2 81 82 A A S S- 0 0 32 8,-0.1 -1,-0.2 -3,-0.0 8,-0.0 -0.967 96.3 -85.0-147.0 158.6 10.4 4.0 -28.8 82 83 A P - 0 0 114 0, 0.0 2,-0.5 0, 0.0 10,-0.1 -0.224 46.4-123.3 -63.2 156.4 12.6 1.4 -30.6 83 84 A V - 0 0 38 -70,-0.0 2,-0.6 -4,-0.0 5,-0.1 -0.905 23.9-176.6-117.1 126.6 15.8 0.2 -28.9 84 85 A T > - 0 0 105 -2,-0.5 3,-1.8 3,-0.4 220,-0.0 -0.965 37.4-118.1-113.5 116.8 19.4 0.3 -30.1 85 86 A A T 3 S+ 0 0 31 -2,-0.6 -71,-0.1 1,-0.2 -70,-0.1 -0.294 97.3 23.2 -55.3 130.9 21.7 -1.4 -27.6 86 87 A G T 3 S+ 0 0 36 -72,-1.5 2,-0.5 1,-0.1 -1,-0.2 0.024 103.8 87.3 103.3 -28.8 24.3 1.2 -26.4 87 88 A Q S < S- 0 0 57 -3,-1.8 -3,-0.4 213,-0.1 -1,-0.1 -0.933 71.1-135.5-111.3 123.2 22.4 4.4 -27.1 88 89 A L - 0 0 64 -2,-0.5 2,-0.2 -5,-0.1 -4,-0.1 0.013 10.9-152.0 -63.5 177.6 20.0 5.8 -24.4 89 90 A A > - 0 0 29 1,-0.1 3,-1.5 -6,-0.0 4,-0.4 -0.693 9.0-147.3-160.5 99.7 16.5 7.1 -25.3 90 91 A V T > S+ 0 0 70 1,-0.3 3,-1.2 -2,-0.2 4,-0.2 0.749 96.5 51.1 -35.6 -47.4 14.8 9.8 -23.2 91 92 A E T >> S+ 0 0 98 1,-0.3 3,-2.3 2,-0.2 4,-0.6 0.840 93.5 69.6 -68.8 -32.9 11.2 8.5 -23.7 92 93 A N H <> S+ 0 0 2 -3,-1.5 4,-2.6 1,-0.3 -1,-0.3 0.592 80.5 86.4 -60.3 -4.7 12.0 5.0 -22.8 93 94 A G H <> S+ 0 0 0 -3,-1.2 4,-1.8 -4,-0.4 -1,-0.3 0.873 86.3 48.2 -63.2 -36.7 12.3 6.7 -19.4 94 95 A H H <> S+ 0 0 72 -3,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.799 109.3 55.0 -73.0 -28.4 8.6 6.3 -18.9 95 96 A Y H X S+ 0 0 1 -4,-0.6 4,-2.6 2,-0.2 5,-0.3 0.972 108.2 46.6 -66.1 -55.8 8.9 2.6 -19.9 96 97 A V H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.3 -2,-0.2 0.886 115.4 46.6 -52.6 -44.7 11.6 1.9 -17.3 97 98 A V H X S+ 0 0 26 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.3 0.838 109.8 56.3 -67.6 -34.2 9.5 3.7 -14.6 98 99 A E H X S+ 0 0 81 -4,-1.7 4,-3.1 2,-0.2 3,-0.3 0.972 107.9 44.8 -61.5 -57.2 6.5 1.8 -15.8 99 100 A T H X S+ 0 0 1 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.818 113.9 52.0 -57.6 -32.9 8.0 -1.7 -15.3 100 101 A L H X S+ 0 0 0 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.2 0.850 111.6 46.2 -72.5 -35.3 9.3 -0.5 -12.0 101 102 A A H X S+ 0 0 17 -4,-2.1 4,-2.0 -3,-0.3 -2,-0.2 0.897 113.4 48.8 -72.6 -41.3 5.8 0.7 -11.0 102 103 A R H X S+ 0 0 69 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.848 113.0 47.1 -68.2 -33.9 4.2 -2.5 -12.2 103 104 A A H X S+ 0 0 0 -4,-1.7 4,-1.6 -5,-0.2 5,-0.2 0.936 110.1 51.3 -72.8 -49.3 6.7 -4.8 -10.4 104 105 A C H >X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 3,-1.2 0.965 111.6 47.1 -50.8 -59.5 6.5 -2.9 -7.1 105 106 A D H 3X S+ 0 0 42 -4,-2.0 4,-3.5 1,-0.3 5,-0.3 0.904 104.9 60.9 -50.8 -46.5 2.7 -3.1 -7.0 106 107 A G H 3X>S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.3 5,-2.1 0.851 111.3 39.9 -50.0 -37.6 2.8 -6.7 -7.9 107 108 A C H <<5S+ 0 0 14 -4,-1.6 -1,-0.3 -3,-1.2 -2,-0.2 0.752 113.6 53.7 -82.2 -27.5 4.7 -7.3 -4.6 108 109 A L H <5S+ 0 0 64 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.852 115.8 41.4 -72.9 -34.3 2.6 -4.8 -2.7 109 110 A N H <5S- 0 0 115 -4,-3.5 -2,-0.2 -5,-0.2 -3,-0.2 0.956 116.4-110.6 -76.4 -55.6 -0.5 -6.8 -3.9 110 111 A G T <5S+ 0 0 58 -4,-2.4 -3,-0.2 -5,-0.3 -4,-0.1 0.436 82.7 118.7 133.0 9.1 0.9 -10.3 -3.4 111 112 A E S - 0 0 51 -2,-0.3 4,-0.9 1,-0.2 13,-0.1 -0.949 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-23.5 303 304 A A T << S+ 0 0 10 -3,-1.1 -287,-0.1 -4,-0.9 2,-0.1 -0.064 81.8 0.5 -50.7 146.2 25.1 -4.0 -24.2 304 305 A G T 34 S+ 0 0 1 -289,-0.2 -1,-0.3 1,-0.1 4,-0.1 0.328 102.5 107.7 58.1 -11.8 24.0 -6.3 -27.1 305 306 A R T <4 S- 0 0 73 -3,-1.4 -2,-0.2 2,-0.2 -1,-0.1 0.971 88.9-117.0 -57.2 -59.3 27.7 -7.1 -27.6 306 307 A G S < S+ 0 0 44 -4,-0.7 2,-0.5 1,-0.4 -3,-0.1 0.313 84.3 96.1 133.5 1.1 27.4 -10.7 -26.1 307 308 A K + 0 0 76 -5,-0.5 -1,-0.4 1,-0.1 -2,-0.2 -0.985 39.9 132.9-117.7 124.5 29.7 -10.5 -23.1 308 309 A A - 0 0 40 -2,-0.5 -1,-0.1 -3,-0.1 -288,-0.1 0.524 47.5-133.4-131.1 -80.5 28.0 -9.7 -19.8 309 310 A D - 0 0 108 2,-0.0 3,-0.5 -289,-0.0 4,-0.3 0.693 11.8-168.6 105.7 87.8 28.5 -11.6 -16.5 310 311 A V > + 0 0 17 1,-0.2 4,-3.2 2,-0.1 5,-0.3 0.293 55.3 116.0 -85.8 9.5 25.2 -12.3 -14.8 311 312 A G H > S+ 0 0 21 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.883 77.5 40.3 -44.8 -53.3 27.1 -13.3 -11.7 312 313 A S H > S+ 0 0 5 -3,-0.5 4,-3.1 2,-0.2 5,-0.3 0.953 115.1 50.1 -64.8 -51.2 25.6 -10.5 -9.6 313 314 A F H > S+ 0 0 0 -4,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.905 111.6 49.9 -54.3 -45.7 22.0 -10.8 -10.9 314 315 A I H X S+ 0 0 18 -4,-3.2 4,-3.2 2,-0.2 -1,-0.2 0.915 111.5 48.0 -60.1 -44.3 22.1 -14.5 -10.3 315 316 A T H X S+ 0 0 33 -4,-1.9 4,-3.0 -5,-0.3 5,-0.3 0.947 110.9 50.7 -61.7 -48.2 23.3 -14.0 -6.8 316 317 A A H X S+ 0 0 0 -4,-3.1 4,-1.6 -36,-0.3 -1,-0.2 0.797 112.9 48.4 -58.6 -31.2 20.6 -11.4 -6.2 317 318 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 -5,-0.3 -2,-0.2 0.969 110.6 47.9 -74.5 -55.3 18.1 -13.8 -7.5 318 319 A N H X S+ 0 0 64 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.916 114.7 47.0 -50.2 -48.7 19.3 -16.8 -5.4 319 320 A L H X S+ 0 0 24 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.899 109.3 52.9 -62.9 -40.8 19.3 -14.6 -2.3 320 321 A A H X S+ 0 0 0 -4,-1.6 4,-1.3 -5,-0.3 -1,-0.2 0.903 111.1 50.0 -59.0 -39.5 15.9 -13.2 -3.1 321 322 A I H X S+ 0 0 29 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.926 109.4 48.4 -64.5 -49.1 14.8 -16.9 -3.3 322 323 A K H X S+ 0 0 108 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.896 108.4 54.5 -59.2 -42.7 16.3 -17.9 0.0 323 324 A X H X S+ 0 0 0 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.867 104.0 55.9 -61.0 -34.4 14.7 -15.0 1.7 324 325 A I H >X S+ 0 0 15 -4,-1.3 4,-1.7 -5,-0.2 3,-1.2 0.980 108.3 48.2 -58.6 -53.6 11.4 -16.2 0.3 325 326 A V H 3< S+ 0 0 67 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.872 114.1 45.1 -53.0 -44.5 12.1 -19.5 2.1 326 327 A N H 3< S+ 0 0 79 -4,-2.5 -1,-0.3 -132,-0.3 -2,-0.2 0.575 118.1 44.9 -78.4 -10.3 13.0 -17.8 5.4 327 328 A T H << 0 0 64 -3,-1.2 -2,-0.2 -4,-1.1 -1,-0.2 0.515 360.0 360.0-108.3 -10.7 10.0 -15.5 5.1 328 329 A Q < 0 0 134 -4,-1.7 -2,-0.2 -3,-0.2 -3,-0.1 0.980 360.0 360.0 -74.9 360.0 7.4 -18.2 4.1 329 !* 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 0.0 330 2 B V 0 0 163 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-172.8 78.6 -3.8 -6.0 331 3 B K - 0 0 166 63,-0.0 2,-0.4 61,-0.0 63,-0.1 -0.785 360.0-105.0-108.2 153.4 79.0 -2.4 -2.4 332 4 B T - 0 0 37 61,-0.4 61,-0.4 -2,-0.3 2,-0.3 -0.650 31.8-134.3 -84.8 134.7 76.8 -3.5 0.5 333 5 B Q - 0 0 86 -2,-0.4 28,-2.4 26,-0.4 2,-0.4 -0.606 11.9-142.2 -87.8 146.0 74.1 -1.1 1.6 334 6 B R E -l 361 0B 31 -2,-0.3 108,-3.5 26,-0.2 109,-0.5 -0.854 16.3-176.9-106.2 138.1 73.5 -0.2 5.3 335 7 B V E -l 362 0B 0 26,-2.1 28,-2.8 -2,-0.4 2,-0.5 -0.925 18.3-137.1-127.0 157.2 70.1 0.3 6.8 336 8 B V E -lm 363 444B 0 107,-2.2 109,-2.1 -2,-0.3 2,-0.4 -0.971 13.3-161.4-121.2 136.9 69.5 1.3 10.3 337 9 B I E -lm 364 445B 5 26,-1.8 28,-1.9 -2,-0.5 109,-0.2 -0.951 6.9-158.5-117.7 127.6 66.8 -0.2 12.5 338 10 B T E - m 0 446B 0 107,-1.5 109,-3.0 -2,-0.4 28,-0.1 -0.915 3.4-162.1-104.9 111.5 65.4 1.3 15.7 339 11 B P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.870 33.7-159.7 -59.3 -31.3 63.8 -1.4 17.8 340 12 B G + 0 0 1 6,-0.1 109,-0.2 -3,-0.1 88,-0.0 -0.629 53.5 32.9 92.8-150.4 62.0 1.4 19.6 341 13 B E S > S- 0 0 1 107,-1.6 3,-1.3 -2,-0.2 5,-0.3 -0.234 70.3-146.1 -46.2 114.0 60.5 1.2 23.1 342 14 B P T 3 S+ 0 0 1 0, 0.0 -1,-0.2 0, 0.0 70,-0.1 0.759 94.6 53.7 -58.0 -28.1 62.7 -1.3 25.0 343 15 B A T 3 S+ 0 0 1 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105.1 54.5 -72.9 -33.8 65.4 9.5 26.7 424 96 B Y H > S+ 0 0 1 -4,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.970 109.0 47.4 -62.6 -54.0 67.0 6.3 25.4 425 97 B V H >X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 3,-1.2 0.966 114.4 44.3 -51.9 -63.0 64.2 5.8 22.9 426 98 B V H 3X S+ 0 0 27 -4,-2.0 4,-2.2 1,-0.3 -1,-0.2 0.766 110.0 58.3 -55.5 -26.5 64.3 9.4 21.6 427 99 B E H 3X S+ 0 0 77 -4,-1.5 4,-2.3 2,-0.2 -1,-0.3 0.853 105.9 48.1 -73.9 -31.6 68.1 9.2 21.5 428 100 B T H S+ 0 0 0 -4,-2.1 5,-1.9 -5,-0.3 6,-1.1 0.932 108.9 42.3 -59.2 -44.4 72.5 8.9 10.2 436 108 B C H ><5S+ 0 0 10 -4,-1.9 3,-1.5 -3,-0.3 -2,-0.2 0.927 112.9 52.7 -68.4 -42.7 70.1 8.8 7.3 437 109 B L H 3<5S+ 0 0 59 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.770 111.1 47.7 -63.6 -27.0 70.2 12.6 6.8 438 110 B N T 3<5S- 0 0 122 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.174 118.2-106.2-100.3 13.2 74.1 12.5 6.6 439 111 B G T < 5S+ 0 0 63 -3,-1.5 -3,-0.2 2,-0.2 -4,-0.1 0.490 86.4 120.6 78.5 2.2 74.3 9.5 4.2 440 112 B E S - 0 0 51 -2,-0.3 4,-0.9 1,-0.2 -25,-0.1 -0.891 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4,-0.1 6,-0.1 2,-0.1 -0.878 115.3 54.7-138.7 169.8 36.3 45.5 22.8 874 217 C H T 5S+ 0 0 78 -2,-0.3 -3,-0.1 1,-0.0 3,-0.1 -0.177 99.9 66.9 98.6 -42.6 34.3 47.9 24.9 875 218 C X S S+ 0 0 69 -3,-0.1 4,-3.4 -4,-0.1 5,-0.3 0.292 76.8 105.0-119.4 5.3 41.5 47.0 25.0 878 221 C E H >>S+ 0 0 13 1,-0.2 5,-2.1 2,-0.2 4,-1.8 0.809 84.9 48.7 -59.4 -27.7 44.4 45.5 27.0 879 222 C E H 4>S+ 0 0 2 3,-0.2 5,-2.7 2,-0.2 -1,-0.2 0.968 115.9 41.7 -73.1 -53.5 43.6 42.2 25.4 880 223 C I H 45S+ 0 0 87 -8,-0.4 -2,-0.2 -4,-0.2 -1,-0.1 0.818 120.7 44.4 -59.9 -35.6 43.5 43.6 21.9 881 224 C D H <5S- 0 0 110 -4,-3.4 -1,-0.2 3,-0.1 -3,-0.2 0.866 136.1 -10.6 -83.4 -39.5 46.5 45.8 22.4 882 225 C T T X5S+ 0 0 19 -4,-1.8 4,-1.6 -5,-0.3 -3,-0.2 0.674 122.6 56.6-133.0 -34.4 49.0 43.6 24.2 883 226 C I H > S+ 0 0 60 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.902 110.2 48.7 -61.1 -41.8 49.5 39.8 20.3 886 229 C V H X S+ 0 0 7 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.917 112.9 47.7 -64.9 -43.7 51.9 38.3 22.9 887 230 C L H X S+ 0 0 0 -4,-2.4 4,-3.5 1,-0.2 5,-0.3 0.959 108.9 52.2 -62.2 -52.8 50.1 35.0 22.9 888 231 C N H X S+ 0 0 92 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.838 112.4 47.8 -53.5 -33.8 49.9 34.6 19.1 889 232 C E H X S+ 0 0 121 -4,-1.5 4,-0.8 -5,-0.2 -1,-0.2 0.897 113.0 46.6 -75.4 -39.9 53.6 35.2 19.0 890 233 C L H >< S+ 0 0 1 -4,-2.2 3,-0.6 2,-0.2 -2,-0.2 0.888 109.4 54.1 -69.4 -38.9 54.3 32.7 21.8 891 234 C R H >X S+ 0 0 73 -4,-3.5 3,-2.9 1,-0.3 4,-0.9 0.963 104.7 55.0 -57.5 -49.6 52.1 30.1 20.2 892 235 C A H 3< S+ 0 0 88 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.771 98.1 63.4 -53.3 -27.1 54.0 30.5 17.0 893 236 C Q T << S- 0 0 106 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.292 131.5 -98.6 -80.6 11.7 57.1 29.7 19.1 894 237 C G T <4 S+ 0 0 56 -3,-2.9 2,-0.3 1,-0.2 -2,-0.2 0.990 79.6 136.5 66.8 78.1 55.4 26.4 19.6 895 238 C X < - 0 0 29 -4,-0.9 2,-1.1 -8,-0.1 -1,-0.2 -0.940 53.6-127.5-156.4 126.5 53.8 26.9 23.0 896 239 C K E +f 859 0D 106 -38,-0.6 -36,-2.3 -2,-0.3 2,-0.5 -0.673 37.2 166.5 -89.8 97.7 50.3 25.9 23.9 897 240 C L E -f 860 0D 11 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55.5 -79.9 -31.4 5.4 42.0 38.6 1095 109 D L H <5S+ 0 0 63 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.811 108.3 50.3 -68.8 -28.7 5.1 45.7 39.4 1096 110 D N H <5S- 0 0 118 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.644 116.5-110.9 -83.1 -17.7 1.4 45.3 39.8 1097 111 D G T <5S+ 0 0 63 -4,-0.6 -3,-0.2 -3,-0.3 -2,-0.1 0.641 84.1 125.9 92.3 15.4 1.6 42.4 42.2 1098 112 D E S - 0 0 54 -2,-0.3 4,-1.1 1,-0.2 176,-0.0 -0.896 14.1-164.9-104.2 119.9 19.7 38.4 22.3 1109 123 D K H > S+ 0 0 102 -2,-0.6 4,-2.3 2,-0.2 5,-0.2 0.931 81.9 62.7 -67.2 -47.0 20.4 42.1 22.5 1110 124 D G H >> S+ 0 0 24 1,-0.2 4,-3.0 2,-0.2 3,-0.6 0.919 102.6 45.1 -43.0 -67.6 21.6 42.4 18.9 1111 125 D V H 3> S+ 0 0 2 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.889 111.3 55.4 -48.4 -44.5 18.4 41.5 17.1 1112 126 D I H ><>S+ 0 0 0 -4,-1.1 5,-1.7 1,-0.2 3,-0.8 0.917 110.7 45.0 -56.3 -43.7 16.5 43.7 19.4 1113 127 D N H X<5S+ 0 0 56 -4,-2.3 3,-2.9 -3,-0.6 4,-0.4 0.962 108.4 57.6 -62.3 -51.7 18.7 46.6 18.4 1114 128 D D H 3<5S+ 0 0 117 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.585 98.5 60.1 -56.7 -12.3 18.5 45.6 14.7 1115 129 D A T <<5S- 0 0 25 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.324 125.4-102.0 -97.1 6.5 14.7 46.0 14.9 1116 130 D G T < 5S+ 0 0 63 -3,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.743 78.0 138.7 81.3 24.6 15.2 49.6 15.9 1117 131 D I < - 0 0 32 -5,-1.7 2,-0.5 -4,-0.4 -1,-0.2 -0.907 57.7-124.4-108.7 118.8 14.5 49.1 19.6 1118 132 D P + 0 0 128 0, 0.0 2,-0.4 0, 0.0 3,-0.1 -0.419 42.6 165.9 -59.1 107.6 16.7 50.9 22.1 1119 133 D F + 0 0 8 -2,-0.5 -6,-0.1 1,-0.1 3,-0.1 -0.745 19.3 171.1-133.3 87.5 18.0 48.0 24.2 1120 134 D T S S- 0 0 97 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.883 71.8 -43.8 -60.0 -37.2 20.9 48.9 26.5 1121 135 D G > - 0 0 8 -3,-0.1 4,-1.9 1,-0.1 -1,-0.2 -0.939 50.9 -95.4 174.6 162.7 20.5 45.5 28.1 1122 136 D H H > S+ 0 0 28 -2,-0.3 4,-0.7 1,-0.2 -1,-0.1 0.913 122.2 36.1 -58.0 -49.5 18.3 42.8 29.5 1123 137 D T H > S+ 0 0 29 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.767 114.1 56.3 -80.4 -24.4 18.6 43.8 33.1 1124 138 D E H > S+ 0 0 66 2,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.836 98.3 63.5 -74.3 -31.7 18.7 47.6 32.4 1125 139 D F H X S+ 0 0 25 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.890 107.0 42.9 -56.4 -42.4 15.4 47.3 30.6 1126 140 D F H X S+ 0 0 0 -4,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.855 109.5 57.4 -73.5 -34.3 13.9 46.3 33.9 1127 141 D E H <>S+ 0 0 51 -4,-1.4 5,-2.6 2,-0.2 4,-0.3 0.962 113.2 42.2 -57.6 -49.5 15.8 49.0 35.7 1128 142 D E H ><5S+ 0 0 138 -4,-3.3 3,-2.7 3,-0.2 -2,-0.2 0.974 109.0 52.2 -63.6 -63.0 14.2 51.5 33.3 1129 143 D R H 3<5S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.800 117.3 41.6 -47.6 -32.7 10.6 50.3 33.2 1130 144 D S T 3<5S- 0 0 11 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.440 106.9-126.4 -96.7 1.8 10.4 50.3 37.0 1131 145 D Q T < 5 - 0 0 159 -3,-2.7 2,-0.2 -4,-0.3 -3,-0.2 0.906 41.1-178.0 54.2 46.5 12.3 53.6 37.3 1132 146 D A < - 0 0 18 -5,-2.6 -1,-0.2 -6,-0.2 3,-0.2 -0.554 26.7-144.4 -76.5 137.7 14.8 52.0 39.7 1133 147 D K S S- 0 0 185 1,-0.3 2,-0.3 140,-0.3 -1,-0.1 0.946 78.7 -7.3 -67.8 -48.9 17.4 54.3 41.1 1134 148 D K - 0 0 60 139,-0.3 2,-0.4 35,-0.1 -1,-0.3 -0.989 59.9-152.0-151.3 139.4 20.2 51.7 41.1 1135 149 D V - 0 0 24 -2,-0.3 2,-0.5 -3,-0.2 138,-0.2 -0.887 8.3-155.0-110.9 144.5 20.5 48.0 40.5 1136 150 D V E -O 1272 0F 3 136,-2.2 136,-2.4 -2,-0.4 2,-0.2 -0.990 17.4-134.9-120.9 121.2 23.1 45.8 42.1 1137 151 D X E -O 1271 0F 37 -2,-0.5 11,-2.2 11,-0.4 2,-0.3 -0.530 24.3-174.1 -78.6 139.4 24.0 42.6 40.2 1138 152 D X E -OP12701147F 0 132,-1.7 132,-3.0 9,-0.2 2,-0.4 -0.982 17.6-155.8-135.8 148.1 24.4 39.3 42.1 1139 153 D L E +OP12691146F 4 7,-2.6 7,-3.1 -2,-0.3 2,-0.3 -0.991 24.5 178.1-121.7 126.9 25.5 35.8 41.2 1140 154 D A E -OP12681145F 2 128,-1.7 128,-2.9 -2,-0.4 5,-0.2 -0.917 24.0-174.8-132.2 159.7 24.1 33.0 43.5 1141 155 D T - 0 0 13 3,-2.4 2,-0.9 -2,-0.3 4,-0.1 -0.080 54.0-100.8-145.9 42.6 24.3 29.2 43.8 1142 156 D E S S+ 0 0 84 1,-0.2 3,-0.1 2,-0.2 125,-0.1 0.301 126.6 47.3 61.7 -21.9 22.0 27.8 46.5 1143 157 D E S S+ 0 0 95 -2,-0.9 2,-0.3 1,-0.3 -1,-0.2 0.599 119.5 23.8-118.9 -27.2 25.3 27.6 48.5 1144 158 D L - 0 0 20 115,-0.1 -3,-2.4 2,-0.0 2,-0.4 -0.994 55.3-159.0-147.0 147.5 26.8 31.0 47.9 1145 159 D R E -P 1140 0F 78 -2,-0.3 102,-2.7 -5,-0.2 2,-0.5 -0.995 10.4-174.3-129.1 128.4 25.8 34.6 47.0 1146 160 D V E -Pq11391247F 0 -7,-3.1 -7,-2.6 -2,-0.4 2,-0.3 -0.971 4.0-166.8-128.5 120.6 28.1 37.3 45.5 1147 161 D A E -Pq11381248F 0 100,-2.8 102,-3.0 -2,-0.5 2,-0.5 -0.789 13.5-142.9-101.9 147.0 27.1 40.9 44.9 1148 162 D L E - q 01249F 5 -11,-2.2 -11,-0.4 -2,-0.3 3,-0.2 -0.936 12.9-161.9-114.9 131.5 29.3 43.1 42.8 1149 163 D A S S+ 0 0 5 100,-2.4 2,-0.3 -2,-0.5 101,-0.2 0.754 93.3 17.4 -77.8 -26.2 29.9 46.8 43.6 1150 164 D T S S+ 0 0 9 99,-0.3 102,-1.2 100,-0.2 -1,-0.3 -0.941 71.1 174.8-145.5 121.8 31.1 47.2 40.0 1151 165 D T + 0 0 43 -2,-0.3 2,-1.2 -3,-0.2 101,-0.6 0.814 65.2 22.0 -92.1 -92.6 30.4 44.7 37.2 1152 166 D H S S+ 0 0 74 100,-0.1 -1,-0.2 99,-0.1 -286,-0.0 -0.642 83.1 117.9 -90.8 93.4 31.4 45.5 33.6 1153 167 D L S S- 0 0 57 -2,-1.2 -278,-0.1 -3,-0.2 5,-0.1 -0.952 71.3 -93.2-144.5 152.3 34.2 48.1 33.7 1154 168 D P >> - 0 0 22 0, 0.0 3,-1.9 0, 0.0 4,-0.7 -0.463 42.1-112.1 -68.9 152.4 37.7 47.8 32.4 1155 169 D L H >> S+ 0 0 2 -280,-0.3 3,-0.8 1,-0.3 4,-0.5 0.844 116.4 59.4 -52.4 -35.5 40.1 46.8 35.3 1156 170 D R H 34 S+ 0 0 112 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.708 100.4 54.6 -70.7 -17.9 41.7 50.2 35.2 1157 171 D D H <> S+ 0 0 77 -3,-1.9 4,-1.3 1,-0.1 -1,-0.2 0.608 87.4 80.3 -92.3 -10.7 38.4 52.0 35.9 1158 172 D I H XX S+ 0 0 4 -3,-0.8 4,-1.9 -4,-0.7 3,-1.0 0.963 83.5 57.3 -59.5 -59.3 37.5 50.2 39.1 1159 173 D A H 3< S+ 0 0 7 -4,-0.5 3,-0.4 1,-0.3 -1,-0.2 0.876 116.2 37.1 -38.7 -55.9 39.8 52.1 41.6 1160 174 D D H 34 S+ 0 0 114 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.709 110.3 64.9 -72.7 -21.3 38.2 55.4 40.7 1161 175 D A H << S+ 0 0 25 -4,-1.3 2,-1.5 -3,-1.0 -1,-0.2 0.842 82.9 77.2 -73.2 -33.3 34.8 53.9 40.3 1162 176 D I < + 0 0 8 -4,-1.9 -1,-0.2 -3,-0.4 50,-0.1 -0.609 63.7 166.5 -85.1 92.4 34.3 52.8 43.9 1163 177 D T > - 0 0 58 -2,-1.5 4,-2.9 1,-0.1 3,-0.3 -0.624 52.9-108.3 -97.4 157.2 33.4 56.1 45.5 1164 178 D P H > S+ 0 0 66 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.925 122.3 54.3 -50.9 -41.6 32.0 56.4 49.0 1165 179 D A H > S+ 0 0 71 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.850 111.6 41.4 -59.5 -43.6 28.7 57.3 47.3 1166 180 D L H > S+ 0 0 35 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.953 117.6 46.9 -70.5 -50.7 28.6 54.3 45.0 1167 181 D L H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.892 112.2 51.1 -58.3 -42.9 29.8 51.9 47.8 1168 182 D H H X S+ 0 0 67 -4,-3.2 4,-1.9 -5,-0.3 -1,-0.2 0.932 112.3 45.5 -61.5 -48.9 27.3 53.3 50.3 1169 183 D E H X S+ 0 0 49 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.923 112.4 51.0 -63.4 -46.1 24.4 53.0 47.9 1170 184 D V H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.956 110.9 46.7 -56.6 -56.1 25.3 49.4 46.9 1171 185 D I H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.875 110.9 54.3 -56.2 -37.2 25.6 48.1 50.4 1172 186 D A H X S+ 0 0 32 -4,-1.9 4,-2.9 -5,-0.2 -1,-0.2 0.952 111.1 43.7 -62.2 -50.2 22.4 49.7 51.3 1173 187 D I H X S+ 0 0 26 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.937 114.5 50.0 -60.6 -47.8 20.4 48.1 48.5 1174 188 D L H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.950 114.2 44.7 -54.9 -52.1 22.1 44.7 49.2 1175 189 D H H X S+ 0 0 27 -4,-3.0 4,-0.9 -5,-0.2 -1,-0.2 0.905 114.0 51.0 -60.3 -42.6 21.3 44.9 52.9 1176 190 D H H >X S+ 0 0 85 -4,-2.9 4,-2.5 -5,-0.2 3,-0.7 0.961 113.6 42.3 -59.4 -54.1 17.8 46.0 52.1 1177 191 D D H 3X>S+ 0 0 7 -4,-3.2 4,-3.0 1,-0.2 5,-1.5 0.780 103.5 63.0 -68.3 -30.1 17.0 43.2 49.6 1178 192 D L H 3<5S+ 0 0 0 -4,-2.2 6,-2.8 -5,-0.3 -1,-0.2 0.830 115.3 38.4 -62.1 -27.9 18.6 40.4 51.6 1179 193 D R H <<5S+ 0 0 116 -4,-0.9 -2,-0.2 -3,-0.7 4,-0.2 0.890 127.0 30.7 -88.8 -46.2 15.9 41.3 54.1 1180 194 D T H <5S+ 0 0 59 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.691 132.0 31.7 -90.2 -18.7 12.9 42.1 51.9 1181 195 D K T <5S+ 0 0 12 -4,-3.0 -3,-0.2 -5,-0.2 132,-0.1 0.749 132.9 26.6-108.0 -30.3 13.7 39.7 49.0 1182 196 D F S S- 0 0 1 1,-0.1 3,-1.4 -370,-0.1 37,-0.3 -0.474 102.5 -84.9 -96.2 164.4 43.4 45.6 46.9 1196 210 D P G > S+ 0 0 6 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.457 122.0 17.0 -65.6 142.5 45.2 42.3 47.4 1197 211 D H G > S- 0 0 61 1,-0.2 3,-2.3 2,-0.1 4,-0.2 0.839 128.0 -84.5 61.7 29.7 45.5 41.6 51.2 1198 212 D A G < S- 0 0 14 -3,-1.4 3,-0.3 1,-0.3 -1,-0.2 0.784 87.8 -49.9 39.4 41.6 42.8 44.3 51.5 1199 213 D G G X >S- 0 0 1 -3,-1.2 3,-1.7 5,-0.4 5,-0.8 0.025 72.1-120.1 94.3 -29.3 45.4 47.1 51.4 1200 214 D E G X 5S- 0 0 75 -3,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.981 81.3 -41.4 52.7 65.3 47.7 45.6 54.1 1201 215 D G G 3 5S- 0 0 79 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.140 114.3 -59.6 72.3 -25.3 47.5 48.6 56.4 1202 216 D G G X 5S+ 0 0 32 -3,-1.7 3,-0.7 -2,-0.2 -1,-0.3 0.377 111.8 109.5 131.2 1.3 47.7 50.7 53.3 1203 217 D H T < 5S+ 0 0 65 -3,-1.8 -3,-0.1 -4,-0.4 3,-0.1 0.082 88.0 40.3 -92.7 25.7 51.1 49.8 51.8 1204 218 D X T 3 S+ 0 0 64 1,-0.1 4,-2.9 2,-0.1 3,-0.3 0.508 79.0 90.9-101.3 -9.6 44.9 53.4 49.9 1207 221 D E H >>S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 5,-2.2 0.800 79.6 56.8 -61.5 -35.2 41.3 52.7 49.0 1208 222 D E H 4>S+ 0 0 4 3,-0.2 5,-3.3 1,-0.2 -1,-0.2 0.934 117.4 36.5 -62.3 -42.3 40.3 50.6 52.0 1209 223 D I H 45S+ 0 0 89 -3,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.891 120.9 46.0 -76.4 -43.1 41.4 53.5 54.3 1210 224 D D H <5S- 0 0 98 -4,-2.9 -3,-0.2 3,-0.1 -2,-0.2 0.922 137.1 -9.6 -68.7 -45.4 40.2 56.3 52.1 1211 225 D T T X5S+ 0 0 18 -4,-2.5 4,-2.1 -5,-0.2 -3,-0.2 0.753 122.6 57.6-124.4 -45.8 36.7 55.0 51.2 1212 226 D I H > S+ 0 0 61 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.966 112.8 47.7 -54.7 -48.3 34.9 54.9 56.5 1215 229 D V H X S+ 0 0 8 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.883 112.3 48.7 -58.8 -41.4 31.8 54.0 54.5 1216 230 D L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.828 106.8 56.7 -69.0 -31.5 31.4 50.6 56.4 1217 231 D N H X S+ 0 0 88 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.2 0.840 106.8 49.7 -68.7 -32.9 31.8 52.4 59.8 1218 232 D E H X S+ 0 0 117 -4,-1.5 4,-0.9 -5,-0.2 -2,-0.2 0.930 112.6 45.5 -71.4 -45.1 28.9 54.7 59.0 1219 233 D L H <>S+ 0 0 3 -4,-1.7 5,-1.9 1,-0.2 4,-0.4 0.843 107.8 57.5 -67.5 -32.5 26.6 51.8 57.9 1220 234 D R H ><5S+ 0 0 82 -4,-2.1 3,-1.2 1,-0.3 -1,-0.2 0.873 102.8 55.0 -65.0 -33.5 27.6 49.7 61.0 1221 235 D A H 3<5S+ 0 0 90 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.802 101.4 58.9 -65.5 -28.8 26.4 52.7 63.1 1222 236 D Q T 3<5S- 0 0 151 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.596 129.6 -98.9 -76.1 -10.7 23.1 52.3 61.2 1223 237 D G T < 5S+ 0 0 58 -3,-1.2 2,-0.3 -4,-0.4 -3,-0.2 0.391 74.8 143.4 109.4 -1.4 22.9 48.7 62.5 1224 238 D X < - 0 0 27 -5,-1.9 2,-1.0 -8,-0.1 -1,-0.3 -0.535 48.8-134.2 -76.9 133.9 24.2 46.7 59.5 1225 239 D K E +r 1188 0F 101 -38,-0.7 -36,-2.4 -2,-0.3 2,-0.5 -0.753 39.2 163.2 -89.4 102.6 26.4 43.7 60.3 1226 240 D L E -r 1189 0F 10 -2,-1.0 2,-1.1 -38,-0.2 -36,-0.2 -0.973 34.6-141.2-126.0 119.8 29.3 44.1 57.9 1227 241 D N E -r 1190 0F 78 -38,-3.5 -36,-1.9 -2,-0.5 3,-0.3 -0.709 41.2-108.3 -88.1 102.0 32.6 42.2 58.3 1228 242 D G E - 0 0 13 -2,-1.1 2,-0.5 1,-0.2 -37,-0.5 0.630 54.3 -50.8 -14.4 166.8 35.3 44.7 57.3 1229 243 D P E - 0 0 27 0, 0.0 -37,-0.2 0, 0.0 -1,-0.2 -0.326 69.8-177.9 -56.2 106.2 37.5 44.8 54.2 1230 244 D L E -r 1192 0F 23 -39,-2.5 -37,-1.9 -2,-0.5 -32,-0.2 -0.799 35.5 -94.6-106.4 149.7 38.8 41.3 54.2 1231 245 D P >> - 0 0 34 0, 0.0 3,-1.2 0, 0.0 4,-1.1 -0.415 27.9-141.4 -63.3 135.8 41.3 39.9 51.7 1232 246 D A H 3> S+ 0 0 0 -37,-0.3 4,-1.0 1,-0.2 -40,-0.0 0.816 96.4 65.8 -68.6 -30.2 39.4 38.2 48.9 1233 247 D D H 34 S+ 0 0 5 1,-0.2 -1,-0.2 2,-0.1 -302,-0.1 0.472 117.5 24.7 -74.3 2.0 42.0 35.4 48.6 1234 248 D T H <4 S+ 0 0 59 -3,-1.2 3,-0.5 3,-0.1 -1,-0.2 0.373 103.3 82.0-138.3 -6.3 41.0 34.1 52.1 1235 249 D L H < S+ 0 0 0 -4,-1.1 2,-1.9 1,-0.2 6,-0.5 0.888 79.8 69.7 -68.7 -38.4 37.5 35.4 52.4 1236 250 D F S < S+ 0 0 5 -4,-1.0 -1,-0.2 4,-0.1 -4,-0.1 -0.160 76.1 111.1 -78.6 47.4 36.1 32.5 50.4 1237 251 D Q S >> S- 0 0 30 -2,-1.9 4,-2.4 -3,-0.5 3,-0.9 -0.798 78.9-116.6-113.7 157.5 36.9 30.0 53.2 1238 252 D P H 3> S+ 0 0 84 0, 0.0 4,-2.0 0, 0.0 5,-0.3 0.772 108.6 71.0 -67.6 -27.6 34.1 28.3 55.2 1239 253 D K H 34 S+ 0 0 147 2,-0.2 4,-0.1 1,-0.1 -3,-0.1 0.825 116.5 26.5 -57.8 -28.5 35.1 30.0 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-3,-0.6 -288,-0.1 -0.256 90.9 -0.1 -53.4 126.6 18.3 25.6 19.9 1291 305 D G T 34 S+ 0 0 10 -289,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.190 101.8 108.3 81.0 -18.5 16.3 22.5 19.0 1292 306 D R T <4 S- 0 0 69 -3,-1.8 -2,-0.1 1,-0.1 -1,-0.1 0.790 82.9-124.7 -62.0 -31.6 19.3 20.1 19.2 1293 307 D G S < S+ 0 0 52 -4,-0.6 -3,-0.1 3,-0.0 -1,-0.1 0.756 85.2 87.3 93.4 28.2 18.1 18.5 22.4 1294 308 D K + 0 0 82 -5,-0.4 -4,-0.1 2,-0.1 -2,-0.0 -0.136 42.4 129.6-151.7 48.0 21.1 19.0 24.7 1295 309 D A - 0 0 17 -6,-0.1 -292,-0.1 -292,-0.1 -288,-0.1 0.928 56.8-131.2 -71.3 -52.0 20.7 22.3 26.4 1296 310 D D - 0 0 111 1,-0.1 3,-0.4 2,-0.1 4,-0.3 0.800 7.3-152.1 90.2 96.3 21.2 21.8 30.2 1297 311 D V > + 0 0 22 1,-0.2 4,-2.5 2,-0.1 5,-0.3 0.183 60.3 118.0 -83.0 18.4 18.4 23.4 32.3 1298 312 D G H > S+ 0 0 16 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.941 75.9 35.3 -51.5 -63.5 20.8 23.8 35.2 1299 313 D S H > S+ 0 0 10 -3,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.904 116.4 55.0 -63.7 -39.5 20.8 27.5 35.7 1300 314 D F H > S+ 0 0 2 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.921 110.8 45.1 -59.7 -44.5 17.2 28.0 34.7 1301 315 D I H X S+ 0 0 18 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.877 113.4 48.2 -66.7 -39.4 16.0 25.5 37.4 1302 316 D T H X S+ 0 0 23 -4,-2.0 4,-2.2 -5,-0.3 5,-0.2 0.901 111.1 54.1 -66.2 -39.3 18.2 26.9 40.1 1303 317 D A H X S+ 0 0 0 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.907 110.4 45.1 -59.9 -44.3 16.9 30.4 39.0 1304 318 D L H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.916 113.0 50.5 -67.9 -43.4 13.3 29.2 39.4 1305 319 D N H X S+ 0 0 61 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.830 108.8 50.9 -65.8 -33.0 14.0 27.5 42.8 1306 320 D L H X S+ 0 0 23 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.887 109.4 50.8 -72.5 -37.3 15.8 30.6 44.3 1307 321 D A H X S+ 0 0 0 -4,-1.6 4,-3.5 -5,-0.2 -2,-0.2 0.950 112.4 47.5 -63.2 -44.4 12.9 32.8 43.3 1308 322 D I H X S+ 0 0 13 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.907 110.9 50.3 -63.1 -42.0 10.5 30.3 45.0 1309 323 D K H X S+ 0 0 130 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.911 114.2 46.2 -61.8 -38.7 12.7 30.2 48.1 1310 324 D X H < S+ 0 0 6 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.965 110.8 51.5 -66.8 -52.3 12.6 34.0 48.1 1311 325 D I H >< S+ 0 0 10 -4,-3.5 3,-1.0 1,-0.2 4,-0.3 0.905 114.4 43.6 -51.1 -47.2 8.9 34.2 47.6 1312 326 D V H >< S+ 0 0 83 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.883 110.9 52.6 -69.4 -39.9 8.2 31.8 50.4 1313 327 D N T 3< S+ 0 0 105 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.233 117.8 39.9 -81.2 16.2 10.7 33.3 52.9 1314 328 D T T < 0 0 51 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.2 0.252 360.0 360.0-142.5 3.1 9.1 36.7 52.3 1315 329 D Q < 0 0 137 -3,-0.9 -2,-0.1 -4,-0.3 -3,-0.1 0.918 360.0 360.0 -66.6 360.0 5.4 35.8 52.1