==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-MAR-06 2CGL . COMPND 2 MOLECULE: RHAMNULOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.GRUENINGER,G.E.SCHULZ . 479 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18306.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 47 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.5 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 0 1 1 3 3 2 3 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 1 1 0 1 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 1 3 2 1 0 1 1 0 1 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 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A T 0 0 128 0, 0.0 23,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -26.4 73.6 94.2 -1.4 2 3 A F - 0 0 81 21,-0.1 2,-0.4 22,-0.1 21,-0.2 -0.535 360.0-131.6 -59.1 143.9 72.8 90.5 -1.2 3 4 A R E -A 22 0A 69 19,-3.3 19,-2.5 -2,-0.2 2,-0.6 -0.880 10.7-149.8-106.3 140.9 73.0 89.8 2.5 4 5 A N E +Ab 21 73A 15 68,-0.5 70,-3.6 -2,-0.4 71,-0.9 -0.934 21.8 177.9-110.3 110.0 75.0 86.8 4.0 5 6 A C E -Ab 20 75A 1 15,-1.8 15,-3.0 -2,-0.6 2,-0.5 -0.935 17.2-149.1-115.9 134.6 73.4 85.5 7.2 6 7 A V E -Ab 19 76A 0 69,-2.4 71,-1.9 -2,-0.4 2,-0.4 -0.884 11.0-164.5-106.8 124.0 74.6 82.6 9.2 7 8 A A E -Ab 18 77A 0 11,-2.5 11,-2.6 -2,-0.5 2,-0.5 -0.922 6.9-158.9-108.4 134.3 72.1 80.5 11.2 8 9 A V E -Ab 17 78A 0 69,-2.8 71,-2.8 -2,-0.4 2,-0.5 -0.959 13.5-177.9-106.7 118.9 73.2 78.0 13.9 9 10 A D E -Ab 16 79A 4 7,-2.2 7,-1.7 -2,-0.5 2,-0.6 -0.949 3.8-170.7-124.6 108.7 70.4 75.4 14.5 10 11 A L E +Ab 15 80A 0 69,-2.9 71,-0.6 -2,-0.5 5,-0.2 -0.902 8.2 178.2-105.1 122.5 71.1 72.9 17.2 11 12 A G - 0 0 7 3,-3.3 3,-0.0 -2,-0.6 -2,-0.0 -0.665 44.5-100.3-114.8 172.2 68.7 70.0 17.5 12 13 A A S S+ 0 0 17 -2,-0.2 3,-0.1 1,-0.2 29,-0.0 0.776 121.6 27.0 -66.6 -22.7 68.7 67.0 19.9 13 14 A S S S+ 0 0 53 1,-0.3 26,-1.1 27,-0.1 2,-0.3 0.540 128.7 19.8-117.1 -7.1 70.2 64.7 17.3 14 15 A S E - C 0 38A 20 24,-0.3 -3,-3.3 2,-0.0 2,-0.3 -0.991 55.4-151.1-156.3 151.5 72.1 67.1 14.9 15 16 A G E -AC 10 37A 0 22,-3.1 22,-2.6 -2,-0.3 2,-0.4 -0.939 17.3-172.3-121.7 151.8 73.7 70.5 14.8 16 17 A R E -AC 9 36A 28 -7,-1.7 -7,-2.2 -2,-0.3 2,-0.5 -0.999 21.1-159.4-143.8 141.6 74.1 72.7 11.7 17 18 A V E +AC 8 35A 0 18,-2.6 17,-2.9 -2,-0.4 18,-2.0 -0.997 29.8 179.4-114.2 122.3 75.8 75.9 10.6 18 19 A X E -AC 7 33A 8 -11,-2.6 -11,-2.5 -2,-0.5 2,-0.5 -0.905 21.4-143.4-129.1 149.5 74.2 77.2 7.5 19 20 A L E -AC 6 32A 4 13,-3.0 13,-3.1 -2,-0.3 2,-0.4 -0.968 12.6-162.4-118.5 124.6 74.7 80.2 5.3 20 21 A A E -AC 5 31A 0 -15,-3.0 -15,-1.8 -2,-0.5 2,-0.5 -0.840 4.5-158.2-101.7 143.3 71.8 82.0 3.7 21 22 A R E +AC 4 30A 95 9,-2.1 9,-2.3 -2,-0.4 2,-0.4 -0.987 23.6 174.6-118.0 124.5 72.3 84.4 0.8 22 23 A Y E +AC 3 29A 6 -19,-2.5 -19,-3.3 -2,-0.5 2,-0.4 -0.981 20.1 178.3-133.6 136.1 69.4 86.9 0.4 23 24 A E E >>> - C 0 28A 34 5,-1.9 5,-1.3 -2,-0.4 4,-1.0 -0.922 19.9-150.5-140.7 129.6 68.4 89.8 -1.6 24 25 A R G >45S+ 0 0 113 -2,-0.4 3,-0.9 -23,-0.3 -1,-0.1 0.840 94.3 56.8 -49.3 -49.7 65.2 91.8 -1.4 25 26 A E G 345S+ 0 0 163 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.844 116.4 36.3 -57.0 -37.3 65.0 92.9 -5.0 26 27 A C G <45S- 0 0 78 -3,-0.8 -1,-0.3 2,-0.1 -2,-0.2 0.584 95.1-135.9 -90.5 -14.0 65.2 89.4 -6.3 27 28 A R T <<5 + 0 0 99 -4,-1.0 2,-0.6 -3,-0.9 -3,-0.2 0.801 56.5 152.2 52.5 30.1 63.1 87.7 -3.6 28 29 A S E < +C 23 0A 40 -5,-1.3 -5,-1.9 2,-0.0 2,-0.4 -0.825 22.5 173.9 -99.0 124.2 65.9 85.2 -3.8 29 30 A L E +C 22 0A 11 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.970 2.8 178.4-130.7 114.9 66.8 83.2 -0.8 30 31 A T E -C 21 0A 73 -9,-2.3 -9,-2.1 -2,-0.4 2,-0.4 -0.859 12.2-156.7-114.0 152.1 69.4 80.4 -0.9 31 32 A L E -C 20 0A 57 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.997 9.2-175.2-128.7 125.5 70.7 78.2 1.9 32 33 A R E -C 19 0A 131 -13,-3.1 -13,-3.0 -2,-0.4 2,-0.5 -0.955 26.7-124.0-116.6 139.4 74.1 76.3 1.9 33 34 A E E +C 18 0A 100 -2,-0.4 -15,-0.2 -15,-0.2 3,-0.1 -0.696 29.5 174.2 -81.3 126.6 75.3 73.9 4.6 34 35 A I E + 0 0 17 -17,-2.9 2,-0.3 -2,-0.5 -16,-0.2 0.859 69.4 0.1 -94.8 -49.0 78.6 75.1 6.1 35 36 A H E -C 17 0A 44 -18,-2.0 -18,-2.6 2,-0.0 2,-0.4 -0.963 59.0-173.1-148.0 121.0 79.1 72.5 8.9 36 37 A R E +C 16 0A 85 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.949 17.0 172.1-111.7 137.3 76.9 69.7 10.0 37 38 A F E -C 15 0A 25 -22,-2.6 -22,-3.1 -2,-0.4 2,-0.1 -0.966 32.9 -98.9-142.1 158.7 77.7 67.7 13.2 38 39 A N E -C 14 0A 148 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.3 -0.409 32.7-176.6 -72.9 148.2 76.3 65.1 15.5 39 40 A N + 0 0 16 -26,-1.1 2,-0.3 -2,-0.1 -27,-0.0 -0.952 18.5 136.3-135.5 160.8 74.6 66.0 18.7 40 41 A G - 0 0 21 -2,-0.3 11,-0.4 9,-0.1 2,-0.2 -0.945 53.2 -65.1 172.3 169.4 73.2 63.6 21.2 41 42 A L - 0 0 51 -2,-0.3 2,-0.5 9,-0.1 9,-0.2 -0.503 41.6-154.2 -79.1 142.2 72.9 62.7 24.8 42 43 A H E -G 49 0B 84 7,-2.7 7,-3.2 -2,-0.2 2,-0.8 -0.976 13.0-136.3-118.4 129.9 76.0 61.9 26.8 43 44 A S E +G 48 0B 118 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.759 36.1 170.7 -80.8 113.3 76.1 59.7 29.8 44 45 A Q E > -G 47 0B 73 3,-3.3 3,-1.4 -2,-0.8 -2,-0.1 -0.948 61.4 -28.5-134.5 110.9 78.4 61.6 32.2 45 46 A N T 3 S- 0 0 129 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.866 126.9 -43.2 56.2 42.1 78.8 60.7 35.9 46 47 A G T 3 S+ 0 0 81 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.506 123.0 101.0 83.2 5.0 75.4 59.2 36.3 47 48 A Y E < S-G 44 0B 58 -3,-1.4 -3,-3.3 56,-0.1 2,-0.7 -0.853 72.0-127.6-120.7 154.3 73.7 62.1 34.3 48 49 A V E +G 43 0B 20 -2,-0.3 52,-3.1 -5,-0.2 55,-0.3 -0.936 49.5 164.4 -98.5 115.5 72.4 62.6 30.8 49 50 A T E -GH 42 99B 0 -7,-3.2 -7,-2.7 -2,-0.7 2,-0.3 -0.782 39.3-113.2-128.9 170.5 74.1 65.7 29.6 50 51 A W - 0 0 1 48,-2.3 2,-1.6 -2,-0.3 3,-0.2 -0.850 24.8-130.7-100.2 144.3 75.0 67.8 26.6 51 52 A D > + 0 0 59 -11,-0.4 4,-2.0 -2,-0.3 5,-0.1 -0.680 36.6 170.6 -93.7 81.2 78.6 68.2 25.5 52 53 A V H > S+ 0 0 1 -2,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.832 70.6 58.0 -69.1 -31.4 78.3 72.0 25.3 53 54 A D H > S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.923 109.0 45.3 -63.6 -42.4 82.1 72.5 24.8 54 55 A S H > S+ 0 0 60 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.867 111.9 53.2 -67.6 -36.1 82.0 70.3 21.7 55 56 A L H X S+ 0 0 4 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.929 109.4 47.8 -62.3 -45.8 78.9 72.1 20.5 56 57 A E H X S+ 0 0 16 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.898 111.6 50.0 -59.9 -42.5 80.7 75.5 20.8 57 58 A S H X S+ 0 0 70 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.901 110.9 50.0 -62.2 -42.2 83.8 74.3 19.0 58 59 A A H X S+ 0 0 10 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.914 111.7 48.3 -60.8 -44.5 81.5 72.9 16.2 59 60 A I H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.948 113.0 47.0 -62.1 -48.9 79.7 76.3 16.0 60 61 A R H X S+ 0 0 71 -4,-3.0 4,-3.4 1,-0.2 5,-0.3 0.892 109.1 55.6 -59.9 -42.5 83.1 78.2 15.9 61 62 A L H X S+ 0 0 88 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.929 110.4 45.2 -55.0 -48.4 84.4 75.8 13.2 62 63 A G H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.937 114.8 47.6 -61.8 -49.3 81.4 76.6 11.0 63 64 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.931 111.5 50.0 -57.5 -47.0 81.7 80.4 11.6 64 65 A N H X S+ 0 0 56 -4,-3.4 4,-2.8 1,-0.2 -1,-0.2 0.807 103.6 60.6 -68.6 -27.0 85.4 80.4 11.0 65 66 A K H X S+ 0 0 110 -4,-1.8 4,-1.2 -5,-0.3 -1,-0.2 0.943 106.8 45.4 -59.8 -48.4 84.9 78.5 7.7 66 67 A V H <>S+ 0 0 2 -4,-1.5 5,-1.7 2,-0.2 4,-0.2 0.900 114.4 49.8 -60.1 -42.4 82.7 81.3 6.4 67 68 A a H ><5S+ 0 0 12 -4,-2.0 3,-2.0 1,-0.2 -2,-0.2 0.940 110.1 48.0 -61.4 -51.7 85.3 83.9 7.6 68 69 A A H 3<5S+ 0 0 93 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.713 104.1 63.1 -66.1 -20.7 88.3 82.1 6.0 69 70 A A T 3<5S- 0 0 68 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.572 113.6-121.1 -75.5 -10.0 86.3 81.9 2.8 70 71 A G T < 5 + 0 0 68 -3,-2.0 2,-0.2 1,-0.2 -3,-0.2 0.651 57.7 154.5 77.4 15.6 86.3 85.7 2.7 71 72 A I < - 0 0 42 -5,-1.7 2,-1.2 1,-0.1 -1,-0.2 -0.551 49.0-121.5 -78.6 139.3 82.5 86.0 2.8 72 73 A A - 0 0 68 -2,-0.2 -68,-0.5 -67,-0.0 2,-0.4 -0.680 28.4-154.7 -82.9 95.3 80.9 89.2 4.3 73 74 A I E -b 4 0A 18 -2,-1.2 -68,-0.2 1,-0.2 3,-0.1 -0.544 13.9-173.9 -73.5 124.3 78.8 88.0 7.1 74 75 A D E - 0 0 38 -70,-3.6 2,-0.3 -2,-0.4 -69,-0.2 0.759 64.7 -18.6 -91.7 -28.5 76.0 90.4 7.8 75 76 A S E -b 5 0A 0 -71,-0.9 -69,-2.4 152,-0.1 -1,-0.3 -0.975 51.7-143.3-168.9 164.0 74.7 88.6 10.9 76 77 A I E -bd 6 229A 0 152,-1.7 154,-2.7 -2,-0.3 2,-0.3 -0.982 17.1-177.1-133.5 145.2 74.6 85.4 12.9 77 78 A G E -bd 7 230A 0 -71,-1.9 -69,-2.8 -2,-0.3 2,-0.4 -0.993 11.0-148.5-145.8 153.7 71.8 83.9 14.9 78 79 A I E +b 8 0A 2 152,-0.6 154,-0.4 -2,-0.3 2,-0.4 -0.967 13.8 175.2-128.3 129.2 71.3 80.8 17.1 79 80 A D E +b 9 0A 0 -71,-2.8 -69,-2.9 -2,-0.4 2,-0.3 -0.984 10.3 166.2-128.8 146.2 68.4 78.5 17.8 80 81 A T E -be 10 235A 0 154,-2.5 156,-3.2 -2,-0.4 157,-0.2 -0.857 44.5 -66.3-142.7 178.1 68.3 75.4 19.8 81 82 A W - 0 0 9 -71,-0.6 78,-0.2 -2,-0.3 3,-0.1 -0.344 62.8-111.6 -64.4 151.9 65.9 72.9 21.5 82 83 A G S S+ 0 0 10 1,-0.1 2,-2.9 77,-0.1 19,-0.2 0.064 80.8 34.0 -77.4-176.3 64.0 74.4 24.4 83 84 A V S S+ 0 0 11 94,-0.5 -1,-0.1 1,-0.1 55,-0.1 -0.138 85.7 107.1 73.7 -45.6 63.8 74.1 28.1 84 85 A D - 0 0 0 -2,-2.9 75,-2.3 -3,-0.1 2,-0.3 -0.324 44.1-179.8 -79.8 153.5 67.5 73.4 28.8 85 86 A F E -I 158 0C 13 14,-0.4 2,-0.4 73,-0.3 73,-0.2 -0.888 24.9-132.1-144.6 165.6 69.9 75.8 30.4 86 87 A V E -I 157 0C 4 71,-2.5 71,-2.8 -2,-0.3 2,-0.4 -0.994 22.8-138.7-126.7 129.5 73.5 76.4 31.5 87 88 A L E -IJ 156 95C 7 8,-0.5 8,-2.5 -2,-0.4 2,-0.4 -0.756 21.0-164.9 -87.6 140.4 74.4 77.8 34.9 88 89 A L E -IJ 155 94C 0 67,-2.9 66,-3.1 -2,-0.4 67,-2.0 -0.959 12.8-137.3-130.8 142.6 77.1 80.4 35.2 89 90 A D > - 0 0 41 4,-2.9 3,-1.6 -2,-0.4 64,-0.1 -0.208 48.6 -83.2 -83.4-179.1 79.2 81.9 38.0 90 91 A Q T 3 S+ 0 0 147 62,-0.4 63,-0.1 1,-0.3 -1,-0.1 0.710 131.2 47.8 -62.2 -21.2 80.0 85.6 38.3 91 92 A Q T 3 S- 0 0 140 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.467 121.4-102.4 -99.4 -2.1 83.0 85.2 35.9 92 93 A G S < S+ 0 0 6 -3,-1.6 2,-0.3 1,-0.4 -2,-0.1 0.527 75.3 136.3 95.7 7.7 81.1 83.2 33.3 93 94 A Q - 0 0 130 1,-0.1 -4,-2.9 -5,-0.0 -1,-0.4 -0.637 61.9 -99.7 -84.2 145.4 82.4 79.7 34.1 94 95 A R E -J 88 0C 83 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.3 -0.343 28.6-146.9 -66.7 141.8 79.8 77.0 34.1 95 96 A V E -J 87 0C 12 -8,-2.5 -8,-0.5 2,-0.1 54,-0.0 -0.952 63.4 -21.6-109.0 129.3 78.4 75.8 37.4 96 97 A G S S- 0 0 35 -2,-0.5 -9,-0.0 -10,-0.1 -2,-0.0 -0.164 102.8 -43.9 65.2-164.5 77.5 72.1 37.6 97 98 A L - 0 0 58 -11,-0.0 2,-1.5 -53,-0.0 -10,-0.2 -0.564 50.6-111.3 -97.1 156.9 76.8 70.0 34.5 98 99 A P - 0 0 3 0, 0.0 -48,-2.3 0, 0.0 -12,-0.1 -0.662 46.4-160.7 -85.6 83.4 74.7 70.9 31.4 99 100 A V B -H 49 0B 8 -2,-1.5 -14,-0.4 -50,-0.2 -50,-0.3 -0.357 8.1-129.1 -71.9 140.0 72.0 68.4 32.3 100 101 A A > - 0 0 1 -52,-3.1 3,-1.8 -58,-0.1 -52,-0.2 -0.487 18.1-115.0 -89.2 159.5 69.7 67.4 29.4 101 102 A Y T 3 S+ 0 0 9 1,-0.3 5,-0.1 -19,-0.2 -1,-0.1 0.719 114.0 65.2 -65.6 -20.0 65.9 67.3 29.5 102 103 A R T 3 S+ 0 0 8 -54,-0.0 -1,-0.3 3,-0.0 2,-0.1 0.476 77.4 114.5 -78.5 -7.6 66.0 63.5 29.1 103 104 A D X - 0 0 13 -3,-1.8 3,-0.7 -55,-0.3 -56,-0.1 -0.364 68.1-137.9 -61.8 143.9 67.7 63.2 32.5 104 105 A S G > S+ 0 0 77 1,-0.2 3,-2.5 2,-0.1 -1,-0.1 0.506 79.2 102.5 -85.5 1.7 65.6 61.4 35.2 105 106 A R G 3 S+ 0 0 21 1,-0.3 -1,-0.2 3,-0.1 4,-0.1 0.780 79.4 55.3 -53.2 -29.5 66.5 64.0 37.9 106 107 A T G X S+ 0 0 4 -3,-0.7 3,-2.3 -5,-0.1 4,-0.5 0.524 75.9 135.8 -80.8 -7.8 63.1 65.6 37.5 107 108 A N T < S+ 0 0 119 -3,-2.5 -3,-0.0 1,-0.3 26,-0.0 -0.147 77.3 5.8 -54.7 127.2 61.1 62.4 38.1 108 109 A G T 3> S+ 0 0 55 1,-0.0 4,-1.7 4,-0.0 -1,-0.3 0.051 102.1 101.7 95.7 -23.9 58.1 63.1 40.4 109 110 A L H <> S+ 0 0 9 -3,-2.3 4,-2.0 1,-0.2 -2,-0.1 0.767 74.3 56.1 -73.0 -29.9 58.6 66.9 40.6 110 111 A X H > S+ 0 0 42 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.936 109.8 47.2 -64.0 -48.3 55.9 67.9 38.2 111 112 A A H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.897 110.8 53.1 -56.6 -41.8 53.3 66.0 40.3 112 113 A Q H X S+ 0 0 46 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.888 108.6 49.3 -63.2 -39.8 54.8 67.6 43.4 113 114 A A H X>S+ 0 0 0 -4,-2.0 4,-3.3 2,-0.2 5,-0.8 0.937 110.6 49.4 -66.9 -44.4 54.3 71.1 41.9 114 115 A Q H X>S+ 0 0 41 -4,-2.3 4,-1.0 3,-0.2 5,-0.5 0.886 114.6 46.8 -58.9 -39.1 50.7 70.3 40.9 115 116 A Q H <5S+ 0 0 153 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.906 122.1 33.7 -69.2 -43.7 50.1 69.1 44.4 116 117 A Q H <5S+ 0 0 112 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.909 133.4 25.1 -82.5 -41.2 51.8 72.0 46.2 117 118 A L H <5S- 0 0 45 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.1 0.753 111.6-103.3 -96.1 -31.1 51.0 74.9 43.8 118 119 A G T X< - 0 0 27 -4,-1.0 4,-2.4 -5,-0.8 5,-0.2 0.339 14.5-121.8 101.8 121.0 47.8 73.7 42.0 119 120 A K H > S+ 0 0 112 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.889 110.0 54.3 -64.7 -39.6 45.2 74.9 37.4 121 122 A D H > S+ 0 0 64 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.939 109.3 45.6 -61.2 -52.1 47.3 77.7 39.1 122 123 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 6,-0.3 0.901 115.7 49.4 -58.3 -38.5 50.5 76.8 37.2 123 124 A Y H X S+ 0 0 1 -4,-1.9 4,-2.9 -5,-0.2 -2,-0.2 0.907 109.8 47.7 -72.3 -43.3 48.5 76.5 34.0 124 125 A Q H < S+ 0 0 89 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.827 116.1 45.8 -66.9 -31.6 46.7 79.8 34.3 125 126 A R H < S+ 0 0 84 -4,-1.9 61,-2.8 -5,-0.2 62,-0.4 0.881 129.8 20.9 -74.7 -40.9 49.9 81.7 35.1 126 127 A S H < S- 0 0 4 -4,-2.1 -3,-0.2 59,-0.3 -2,-0.2 0.729 77.9-147.9-101.8 -28.3 52.1 80.1 32.4 127 128 A G < + 0 0 0 -4,-2.9 155,-1.6 -5,-0.3 2,-0.3 0.685 55.9 135.8 57.9 21.9 49.7 78.8 29.8 128 129 A I - 0 0 4 -6,-0.3 -1,-0.2 153,-0.2 153,-0.2 -0.806 59.3-109.9-109.2 140.5 52.4 76.0 29.2 129 130 A Q - 0 0 5 -2,-0.3 2,-1.0 1,-0.1 152,-0.1 -0.182 37.3-103.2 -64.0 153.8 51.7 72.3 28.8 130 131 A F + 0 0 8 150,-0.0 -1,-0.1 3,-0.0 151,-0.0 -0.694 49.6 163.8 -80.8 106.6 52.7 69.9 31.6 131 132 A L > - 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0 0 2 -5,-0.8 2,-0.4 -6,-0.2 -1,-0.3 -0.446 55.1-125.9 -77.3 156.0 65.7 79.8 41.4 202 203 A N > - 0 0 67 -2,-0.1 3,-2.2 1,-0.1 4,-0.2 -0.865 8.3-134.3-106.3 134.3 66.3 83.5 41.9 203 204 A K G > S+ 0 0 82 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.819 104.5 67.3 -54.0 -30.7 64.9 86.2 39.6 204 205 A A G 3 S+ 0 0 66 1,-0.3 -1,-0.3 -49,-0.1 -3,-0.0 0.607 85.8 70.1 -69.1 -14.9 68.4 87.8 39.5 205 206 A W G < S+ 0 0 12 -3,-2.2 -49,-2.6 -50,-0.1 -1,-0.3 0.564 106.4 41.0 -70.5 -13.7 69.7 84.8 37.6 206 207 A F S < S- 0 0 18 -3,-1.8 2,-0.3 -4,-0.2 -49,-0.1 -0.438 74.9-132.2-119.1-171.3 67.7 86.0 34.6 207 208 A G - 0 0 20 -2,-0.2 -16,-0.1 -35,-0.0 3,-0.1 -0.939 46.3 -74.7-138.7 165.6 66.7 89.2 32.8 208 209 A R - 0 0 137 -2,-0.3 -35,-0.3 1,-0.1 -18,-0.1 -0.390 64.2-104.2 -58.5 130.0 63.4 90.5 31.6 209 210 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 -35,-0.2 -0.380 37.3-149.4 -63.0 142.0 62.6 88.4 28.5 210 211 A T B -k 174 0D 53 -37,-2.4 -35,-2.1 -3,-0.1 -34,-0.2 -0.940 14.3-116.9-121.3 131.0 63.2 90.3 25.3 211 212 A H > - 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0 0 5 4,-0.9 3,-2.7 -2,-0.5 4,-0.2 -0.597 48.9 -97.8 -65.0 138.2 86.3 86.8 12.6 222 223 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -158,-0.0 0.470 128.3 56.8 -44.6 -6.8 90.0 86.2 13.5 223 224 A Q T 3 S- 0 0 131 2,-0.1 -3,-0.0 0, 0.0 -156,-0.0 0.791 116.7-115.3 -90.4 -40.9 90.8 89.3 11.3 224 225 A G < + 0 0 38 -3,-2.7 2,-0.5 1,-0.3 -4,-0.0 0.656 59.2 143.3 121.6 19.9 88.4 91.5 13.4 225 226 A N - 0 0 122 -4,-0.2 -4,-0.9 1,-0.1 2,-0.4 -0.766 55.1-112.7 -86.2 132.0 85.3 93.0 11.7 226 227 A E E - F 0 220A 121 -2,-0.5 -6,-0.2 -6,-0.1 -1,-0.1 -0.482 30.3-166.5 -71.0 116.3 82.3 93.1 14.1 227 228 A I E - F 0 219A 8 -8,-3.2 -8,-3.2 -2,-0.4 -152,-0.1 -0.923 22.9-122.6-103.7 120.2 79.5 90.8 13.1 228 229 A P E - F 0 218A 29 0, 0.0 -152,-1.7 0, 0.0 2,-0.6 -0.357 14.7-148.7 -62.8 130.6 76.2 91.3 14.9 229 230 A V E -dF 76 217A 0 -12,-3.3 -13,-2.3 -154,-0.2 -12,-1.1 -0.939 21.1-156.3 -99.7 115.3 74.8 88.4 16.9 230 231 A V E -dF 77 215A 0 -154,-2.7 2,-0.8 -2,-0.6 -152,-0.6 -0.702 17.8-125.3 -97.5 141.8 71.0 88.7 16.7 231 232 A A - 0 0 2 -17,-3.0 -18,-3.4 -2,-0.3 -17,-0.2 -0.804 40.2-177.1 -79.7 111.5 68.5 87.2 19.2 232 233 A V - 0 0 0 -2,-0.8 2,-2.1 -154,-0.4 -56,-0.2 -0.228 54.0 -66.4 -94.9-171.6 66.2 85.2 16.8 233 234 A A - 0 0 0 198,-0.3 6,-0.5 1,-0.2 9,-0.1 -0.655 68.4-169.7 -73.5 88.6 63.1 83.3 17.8 234 235 A S + 0 0 3 -2,-2.1 -154,-2.5 4,-0.1 2,-0.5 0.626 54.9 92.5 -75.2 -17.1 65.6 81.1 19.5 235 236 A H B > S-e 80 0A 11 -156,-0.2 4,-2.1 1,-0.2 3,-0.5 -0.672 79.7-135.3 -68.1 120.5 63.4 78.2 20.4 236 237 A D H > S+ 0 0 27 -156,-3.2 4,-2.7 -2,-0.5 5,-0.2 0.891 104.6 50.9 -49.0 -42.8 63.9 75.9 17.4 237 238 A T H > S+ 0 0 6 -157,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.878 106.7 55.3 -65.8 -35.1 60.2 75.1 17.1 238 239 A A H > S+ 0 0 2 -3,-0.5 4,-2.0 2,-0.2 48,-0.2 0.925 111.2 45.0 -60.7 -43.9 59.5 78.9 17.1 239 240 A S H X S+ 0 0 0 -4,-2.1 4,-2.0 -6,-0.5 -2,-0.2 0.918 110.6 52.7 -63.4 -42.9 61.9 79.3 14.2 240 241 A A H X S+ 0 0 1 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.904 108.8 50.9 -64.4 -38.3 60.4 76.3 12.4 241 242 A V H >< S+ 0 0 2 -4,-2.4 3,-0.8 1,-0.2 5,-0.3 0.908 105.4 55.5 -65.0 -42.6 56.9 77.9 12.7 242 243 A I H 3< S+ 0 0 4 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.917 111.7 44.9 -53.9 -45.6 58.2 81.2 11.3 243 244 A A H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 184,-0.3 -2,-0.2 0.599 85.9 106.7 -78.9 -10.8 59.4 79.3 8.2 244 245 A S S << S- 0 0 0 -4,-0.8 2,-2.8 -3,-0.8 206,-0.1 -0.569 77.8-128.5 -68.5 126.1 56.3 77.2 7.8 245 246 A P - 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O 0 292F 2 28,-2.6 28,-2.2 -2,-0.3 2,-0.4 -0.813 32.3-104.1-135.2 177.3 48.5 76.5 15.1 265 266 A E E + O 0 291F 41 -14,-0.4 2,-0.3 -2,-0.3 26,-0.2 -0.873 34.9 177.4-108.4 143.2 49.2 80.2 15.6 266 267 A S E - O 0 290F 19 24,-2.2 24,-1.9 -2,-0.4 4,-0.0 -0.999 36.6-143.3-144.1 142.4 47.0 82.6 17.6 267 268 A Q S S+ 0 0 143 -2,-0.3 -1,-0.1 22,-0.2 -2,-0.0 0.740 97.8 43.3 -70.4 -20.0 47.1 86.2 18.6 268 269 A T S S- 0 0 87 22,-0.1 2,-0.1 -3,-0.1 -1,-0.1 -0.938 86.3-122.2-126.2 145.3 45.5 85.1 22.0 269 270 A P - 0 0 40 0, 0.0 2,-0.6 0, 0.0 13,-0.1 -0.406 14.3-132.2 -79.9 162.5 46.4 82.1 24.2 270 271 A F + 0 0 38 -143,-0.2 10,-0.1 1,-0.1 119,-0.0 -0.946 40.7 149.9-114.7 105.6 44.0 79.3 25.3 271 272 A T + 0 0 41 -2,-0.6 -1,-0.1 4,-0.1 -144,-0.1 0.120 35.1 122.5-119.0 18.2 44.2 78.7 29.0 272 273 A N S > S- 0 0 70 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.063 82.1 -93.5 -68.9 177.6 40.6 77.5 29.5 273 274 A D H > S+ 0 0 84 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.845 126.3 57.8 -67.4 -31.9 39.6 74.1 30.9 274 275 A T H > S+ 0 0 82 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.928 109.8 44.7 -57.7 -46.6 39.3 72.6 27.4 275 276 A A H >>S+ 0 0 0 2,-0.2 5,-2.1 1,-0.2 4,-0.6 0.940 114.0 49.7 -64.6 -48.0 43.0 73.6 26.9 276 277 A L H ><5S+ 0 0 18 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.906 109.3 51.2 -56.5 -47.4 44.1 72.3 30.3 277 278 A A H 3<5S+ 0 0 91 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.851 113.4 44.7 -58.7 -37.8 42.3 69.0 29.8 278 279 A A H 3<5S- 0 0 14 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.512 108.5-126.9 -83.5 -6.5 44.0 68.5 26.5 279 280 A N T <<5 + 0 0 43 -3,-1.0 -3,-0.2 -4,-0.6 2,-0.2 0.891 46.2 173.0 56.0 47.7 47.4 69.6 27.9 280 281 A I < - 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0 0 0 1,-0.2 3,-1.6 -39,-0.2 4,-0.3 -0.065 48.4 -15.2 74.7-160.1 57.9 61.9 17.6 299 300 A L T 3> S+ 0 0 18 -42,-1.2 4,-3.1 1,-0.3 3,-0.3 0.524 107.8 92.2 -71.3 -8.0 60.8 60.3 15.6 300 301 A W H <> S+ 0 0 17 -42,-2.3 4,-2.5 -3,-0.7 -1,-0.3 0.898 83.6 56.4 -42.3 -48.2 62.8 60.0 18.8 301 302 A L H <> S+ 0 0 0 -3,-1.6 4,-1.9 -43,-0.2 -1,-0.2 0.898 109.6 44.2 -54.1 -45.3 61.3 56.5 19.1 302 303 A L H > S+ 0 0 4 -3,-0.3 4,-2.8 -4,-0.3 -2,-0.2 0.908 108.1 57.4 -69.7 -43.0 62.7 55.7 15.6 303 304 A Q H X S+ 0 0 52 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.933 110.2 45.8 -48.7 -49.1 66.1 57.3 16.4 304 305 A R H X S+ 0 0 17 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.919 111.1 51.0 -64.1 -46.1 66.4 54.9 19.3 305 306 A V H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.898 107.4 55.0 -55.8 -42.7 65.3 51.8 17.4 306 307 A L H <>S+ 0 0 31 -4,-2.8 5,-2.1 2,-0.2 4,-0.3 0.900 111.0 44.6 -59.9 -45.8 67.8 52.6 14.7 307 308 A Q H ><5S+ 0 0 117 -4,-1.9 3,-1.2 -5,-0.2 -2,-0.2 0.968 115.2 46.8 -61.7 -51.9 70.6 52.6 17.2 308 309 A E H 3<5S+ 0 0 36 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.897 119.4 38.7 -60.3 -44.0 69.5 49.4 19.0 309 310 A R T 3<5S- 0 0 94 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.383 107.3-125.6 -86.9 3.8 69.0 47.4 15.9 310 311 A Q T < 5 + 0 0 169 -3,-1.2 2,-0.7 -4,-0.3 -3,-0.2 0.891 49.0 165.3 52.5 46.3 72.1 48.9 14.2 311 312 A I < + 0 0 29 -5,-2.1 -1,-0.2 -6,-0.2 3,-0.1 -0.805 13.4 170.7 -91.4 116.3 70.0 50.0 11.2 312 313 A N + 0 0 161 -2,-0.7 2,-0.7 1,-0.2 -1,-0.1 0.526 59.0 72.5-111.8 5.0 72.0 52.6 9.1 313 314 A D > + 0 0 88 1,-0.2 4,-1.9 2,-0.1 -1,-0.2 -0.789 51.3 170.5-113.7 87.8 69.8 52.9 5.9 314 315 A L H > S+ 0 0 62 -2,-0.7 4,-2.9 2,-0.2 5,-0.3 0.938 77.4 54.5 -63.2 -49.7 66.8 54.9 7.0 315 316 A P H > S+ 0 0 96 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.926 109.9 48.4 -51.0 -42.9 65.5 55.4 3.5 316 317 A A H > S+ 0 0 51 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.901 110.5 52.0 -61.1 -41.1 65.6 51.6 2.9 317 318 A L H X S+ 0 0 11 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.949 110.0 47.5 -61.4 -48.9 63.8 51.0 6.2 318 319 A I H X S+ 0 0 22 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.921 112.1 51.1 -57.5 -44.4 61.0 53.4 5.3 319 320 A A H < S+ 0 0 59 -4,-2.4 4,-0.5 -5,-0.3 -1,-0.2 0.910 112.2 45.4 -59.1 -46.2 60.7 51.7 1.9 320 321 A A H >< S+ 0 0 54 -4,-2.7 3,-1.4 1,-0.2 4,-0.3 0.884 109.5 56.6 -63.0 -39.7 60.5 48.3 3.5 321 322 A T H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.806 93.7 67.1 -68.5 -30.4 58.0 49.6 6.0 322 323 A Q T 3< S+ 0 0 105 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.745 95.6 58.4 -55.0 -27.3 55.6 50.8 3.3 323 324 A A T < S+ 0 0 90 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.546 88.8 92.7 -80.0 -11.6 55.0 47.1 2.3 324 325 A L S < S- 0 0 41 -3,-1.5 -3,-0.0 -4,-0.3 0, 0.0 -0.641 86.9-103.9 -89.0 141.3 53.7 46.2 5.8 325 326 A P - 0 0 41 0, 0.0 3,-0.4 0, 0.0 2,-0.2 -0.334 43.3-115.6 -59.8 145.0 50.0 46.3 6.6 326 327 A A S S+ 0 0 8 1,-0.2 43,-0.1 2,-0.1 42,-0.0 -0.477 78.2 13.9 -86.1 150.4 49.0 49.4 8.7 327 328 A C S S+ 0 0 14 2,-0.2 -1,-0.2 41,-0.2 3,-0.1 0.597 76.1 117.5 70.2 22.3 47.6 49.6 12.3 328 329 A R S S+ 0 0 150 -3,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.683 80.7 43.3 -85.2 -20.7 48.3 46.2 13.7 329 330 A F S S+ 0 0 11 28,-0.1 2,-0.4 39,-0.1 -2,-0.2 -0.989 71.6 171.4-126.9 119.8 50.6 47.6 16.3 330 331 A I + 0 0 31 -2,-0.5 2,-0.3 -3,-0.1 40,-0.1 -0.992 1.5 166.7-135.2 121.3 49.5 50.8 18.1 331 332 A I - 0 0 13 -2,-0.4 3,-0.1 38,-0.4 17,-0.0 -0.782 41.9-111.3-116.3 170.1 51.1 52.3 21.1 332 333 A N > - 0 0 85 -2,-0.3 3,-2.1 1,-0.1 42,-0.1 -0.895 26.2-163.8 -99.5 104.9 50.7 55.7 22.6 333 334 A P T 3 S+ 0 0 3 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.758 83.9 63.3 -62.1 -26.1 54.0 57.5 21.9 334 335 A N T 3 S+ 0 0 43 -3,-0.1 2,-0.1 3,-0.1 5,-0.1 0.479 72.1 122.2 -76.8 -2.5 53.3 60.2 24.5 335 336 A D S X S- 0 0 67 -3,-2.1 3,-2.3 1,-0.2 4,-0.2 -0.398 72.8-124.9 -61.5 135.8 53.4 57.7 27.3 336 337 A D G > S+ 0 0 102 1,-0.3 3,-2.0 2,-0.2 4,-0.4 0.742 104.1 77.0 -55.2 -26.6 56.1 58.7 29.8 337 338 A R G 3 S+ 0 0 59 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.653 92.0 53.9 -61.0 -17.5 57.6 55.2 29.4 338 339 A F G < S+ 0 0 1 -3,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.388 78.7 93.0 -98.8 1.4 59.1 56.3 26.1 339 340 A I S < S- 0 0 25 -3,-2.0 -1,-0.1 1,-0.2 -2,-0.1 0.945 116.4 -22.4 -62.3 -50.0 60.9 59.5 27.2 340 341 A N S S+ 0 0 52 -4,-0.4 -1,-0.2 -3,-0.1 -2,-0.1 -0.061 76.5 172.2-157.1 54.0 64.2 57.7 27.8 341 342 A P - 0 0 14 0, 0.0 3,-0.3 0, 0.0 -3,-0.0 -0.251 36.5-131.9 -61.5 149.0 63.9 53.9 28.3 342 343 A D S S+ 0 0 150 1,-0.3 2,-0.6 2,-0.1 4,-0.0 0.884 103.8 37.5 -64.8 -39.2 67.1 51.9 28.5 343 344 A E > + 0 0 116 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 -0.819 67.9 177.2-119.7 93.0 65.6 49.4 26.0 344 345 A X H > S+ 0 0 0 -2,-0.6 4,-2.5 -3,-0.3 5,-0.2 0.921 82.2 45.6 -62.3 -49.3 63.4 51.1 23.4 345 346 A C H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.946 114.7 49.6 -60.6 -45.6 62.5 48.1 21.3 346 347 A S H > S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.861 111.0 49.7 -58.6 -38.4 61.7 46.1 24.4 347 348 A E H X S+ 0 0 50 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.919 110.9 48.8 -71.2 -46.1 59.5 49.0 25.7 348 349 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.952 113.5 47.7 -52.3 -50.8 57.6 49.2 22.4 349 350 A Q H X S+ 0 0 39 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.900 110.9 50.6 -64.3 -40.5 57.1 45.5 22.5 350 351 A A H X S+ 0 0 32 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.931 108.4 52.6 -59.0 -47.8 56.0 45.5 26.1 351 352 A A H X S+ 0 0 11 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.876 112.4 45.4 -58.2 -38.0 53.5 48.3 25.4 352 353 A C H <>S+ 0 0 0 -4,-1.9 5,-2.2 2,-0.2 3,-0.4 0.895 112.4 50.2 -71.3 -43.0 52.0 46.2 22.6 353 354 A R H ><5S+ 0 0 164 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.863 103.6 59.6 -64.0 -40.5 51.9 43.0 24.6 354 355 A E H 3<5S+ 0 0 125 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.814 106.7 49.4 -57.9 -30.0 50.1 44.8 27.5 355 356 A X T 3<5S- 0 0 141 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.261 117.3-112.6 -93.6 16.7 47.3 45.6 25.0 356 357 A A T < 5S+ 0 0 92 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.878 71.7 142.7 50.4 40.5 47.0 42.0 23.7 357 358 A Q < - 0 0 42 -5,-2.2 -1,-0.2 1,-0.1 -28,-0.1 -0.736 61.6 -89.6-101.6 158.0 48.3 43.2 20.3 358 359 A P - 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.273 51.3-107.4 -58.6 156.0 50.6 41.3 18.0 359 360 A I - 0 0 64 -30,-0.1 2,-0.5 -3,-0.1 -10,-0.1 -0.774 20.0-136.5 -94.7 121.6 54.3 42.0 18.8 360 361 A P + 0 0 0 0, 0.0 -8,-0.1 0, 0.0 -11,-0.1 -0.659 42.2 151.2 -77.0 123.6 56.2 44.2 16.4 361 362 A E + 0 0 116 -2,-0.5 -12,-0.0 -12,-0.0 -16,-0.0 0.722 38.3 76.8-124.4 -46.4 59.6 42.4 16.0 362 363 A S S > S- 0 0 54 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.216 88.8-108.1 -62.0 163.1 61.3 43.0 12.7 363 364 A D H > S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.931 123.5 47.8 -56.9 -44.9 63.0 46.3 12.0 364 365 A A H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.837 108.9 53.4 -68.8 -35.1 60.2 47.2 9.6 365 366 A E H > S+ 0 0 53 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.905 108.9 48.9 -64.1 -42.3 57.5 46.1 12.1 366 367 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.901 114.2 45.8 -64.7 -41.0 59.0 48.4 14.8 367 368 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.874 111.6 52.5 -66.3 -40.8 59.1 51.3 12.4 368 369 A R H X S+ 0 0 9 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.916 109.1 49.2 -57.9 -49.0 55.5 50.5 11.2 369 370 A C H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -38,-0.4 0.950 113.9 46.9 -51.6 -55.2 54.3 50.6 14.9 370 371 A I H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.961 115.1 44.3 -54.8 -54.3 56.1 53.9 15.4 371 372 A F H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.904 117.3 44.3 -62.2 -45.2 54.7 55.6 12.1 372 373 A D H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.918 113.7 50.1 -65.5 -44.1 51.2 54.3 12.6 373 374 A S H X S+ 0 0 2 -4,-2.6 4,-1.7 -5,-0.3 -2,-0.2 0.856 112.3 48.2 -65.2 -34.4 51.1 55.2 16.3 374 375 A L H X S+ 0 0 1 -4,-2.5 4,-3.5 -5,-0.2 -1,-0.2 0.950 110.4 51.3 -67.4 -45.1 52.4 58.8 15.5 375 376 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.884 110.0 48.5 -65.2 -36.6 49.8 59.2 12.7 376 377 A L H X S+ 0 0 18 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.898 113.3 47.5 -68.6 -41.3 47.0 58.2 14.9 377 378 A L H X S+ 0 0 18 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.914 108.4 56.0 -61.4 -42.6 48.2 60.6 17.6 378 379 A Y H X S+ 0 0 0 -4,-3.5 4,-2.5 1,-0.2 -2,-0.2 0.933 109.4 46.9 -50.8 -48.2 48.6 63.3 14.9 379 380 A A H X S+ 0 0 15 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.918 111.9 49.7 -65.5 -44.1 44.9 62.9 14.0 380 381 A D H X S+ 0 0 89 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.944 114.8 44.0 -55.1 -50.6 43.8 63.0 17.7 381 382 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.904 110.3 53.7 -68.6 -40.3 45.8 66.2 18.4 382 383 A L H X S+ 0 0 14 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.888 110.9 48.1 -63.1 -36.3 44.7 67.9 15.2 383 384 A H H X S+ 0 0 116 -4,-1.8 4,-2.7 -5,-0.2 -2,-0.2 0.924 110.4 51.2 -65.1 -46.5 41.1 67.3 16.2 384 385 A E H X S+ 0 0 62 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.866 111.4 48.3 -57.1 -40.3 41.7 68.5 19.8 385 386 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.947 112.8 46.2 -73.6 -46.7 43.3 71.8 18.4 386 387 A A H X>S+ 0 0 12 -4,-2.4 4,-1.7 1,-0.2 5,-1.5 0.909 114.2 49.7 -56.2 -42.9 40.4 72.4 15.9 387 388 A Q H <5S+ 0 0 135 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.920 111.0 50.6 -63.7 -43.5 37.9 71.7 18.7 388 389 A L H <5S+ 0 0 16 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.942 117.8 35.3 -60.5 -52.1 39.8 74.0 21.0 389 390 A R H <5S- 0 0 40 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.659 104.5-126.5 -80.5 -17.2 39.9 77.1 18.7 390 391 A G T <5S+ 0 0 68 -4,-1.7 2,-0.3 -5,-0.3 -3,-0.2 0.869 76.2 101.9 71.4 37.7 36.5 76.3 17.1 391 392 A E < - 0 0 67 -5,-1.5 -2,-0.2 -6,-0.2 -1,-0.2 -0.917 64.8-132.4-157.5 123.6 37.9 76.3 13.6 392 393 A D - 0 0 98 -2,-0.3 2,-0.4 -3,-0.1 -9,-0.0 -0.045 20.5-123.3 -58.8 168.1 38.8 73.5 11.2 393 394 A F - 0 0 14 1,-0.1 -142,-0.2 -142,-0.0 3,-0.1 -0.962 15.8-170.4-117.8 141.7 42.1 73.3 9.2 394 395 A S S S+ 0 0 55 -144,-3.2 25,-0.8 -2,-0.4 2,-0.3 0.671 75.5 25.3 -99.5 -23.0 42.3 73.0 5.5 395 396 A Q E -mq 251 419F 32 -145,-1.4 -143,-2.4 23,-0.1 2,-0.5 -0.999 60.2-150.2-142.5 143.5 46.1 72.2 5.3 396 397 A L E -mq 252 420F 0 23,-2.8 25,-2.8 -2,-0.3 2,-0.8 -0.961 15.4-151.7-107.5 120.4 48.8 70.7 7.5 397 398 A H E -mq 253 421F 4 -145,-2.8 -143,-2.8 -2,-0.5 2,-0.6 -0.805 9.5-164.5 -92.2 111.0 52.3 72.0 6.9 398 399 A I E +mq 254 422F 3 23,-2.1 25,-3.1 -2,-0.8 2,-0.2 -0.843 17.3 166.6 -98.0 123.1 54.9 69.4 7.8 399 400 A V E +m 255 0F 0 -145,-2.4 -143,-3.2 -2,-0.6 3,-0.2 -0.770 27.7 60.5-127.4 167.7 58.4 70.8 8.2 400 401 A G S > S- 0 0 13 24,-1.6 3,-1.9 25,-0.5 4,-0.2 -0.323 100.8 -57.8 99.8 170.8 61.7 69.5 9.7 401 402 A G G > S+ 0 0 34 1,-0.3 3,-1.7 2,-0.2 -144,-0.2 0.813 132.2 66.0 -61.4 -29.5 63.9 66.5 8.8 402 403 A G G > S+ 0 0 6 -146,-2.7 3,-1.7 1,-0.3 -1,-0.3 0.709 83.8 72.4 -64.9 -24.7 60.8 64.3 9.5 403 404 A C G < S+ 0 0 8 -3,-1.9 -1,-0.3 -147,-0.5 -2,-0.2 0.601 84.3 68.6 -69.3 -6.9 59.1 65.9 6.4 404 405 A Q G < S+ 0 0 129 -3,-1.7 2,-1.2 -4,-0.2 -1,-0.2 0.538 75.8 95.0 -80.0 -10.9 61.5 63.8 4.2 405 406 A N <> - 0 0 9 -3,-1.7 4,-2.5 1,-0.2 5,-0.1 -0.714 55.4-177.9 -83.6 92.7 59.6 60.7 5.4 406 407 A T H > S+ 0 0 75 -2,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.808 79.1 56.3 -68.2 -28.1 57.1 60.4 2.5 407 408 A L H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.959 110.9 42.3 -63.6 -51.9 55.4 57.3 4.2 408 409 A L H > S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.870 109.9 58.6 -68.0 -37.8 54.7 59.3 7.4 409 410 A N H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.928 111.1 41.8 -51.3 -50.7 53.6 62.3 5.4 410 411 A Q H X S+ 0 0 58 -4,-1.9 4,-2.8 2,-0.2 55,-0.3 0.874 112.6 52.7 -69.7 -38.2 50.9 60.3 3.6 411 412 A L H X S+ 0 0 9 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.893 110.7 49.5 -64.2 -36.4 49.8 58.4 6.8 412 413 A C H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.939 112.2 45.5 -65.6 -48.3 49.4 61.8 8.5 413 414 A A H X>S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 5,-1.3 0.942 117.6 46.9 -62.5 -41.2 47.3 63.2 5.6 414 415 A D H <5S+ 0 0 13 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.904 115.3 42.5 -66.4 -47.4 45.3 59.9 5.5 415 416 A A H <5S+ 0 0 8 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.933 122.8 38.9 -65.1 -47.1 44.7 59.7 9.3 416 417 A C H <5S- 0 0 29 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.701 100.0-136.2 -75.7 -24.3 43.9 63.4 9.7 417 418 A G T <5 + 0 0 53 -4,-1.9 2,-0.3 -5,-0.3 -3,-0.2 0.885 64.4 120.0 67.6 40.1 41.9 63.5 6.4 418 419 A I S - 0 0 8 0, 0.0 -24,-1.6 0, 0.0 3,-0.6 0.517 49.3-157.2 -77.2 159.9 61.0 73.1 3.9 425 426 A V T 3 S+ 0 0 45 1,-0.3 2,-1.6 -26,-0.2 -25,-0.5 0.980 89.7 43.7 -66.1 -55.8 63.2 70.6 5.4 426 427 A E T 3> S+ 0 0 31 1,-0.2 4,-2.2 -26,-0.1 -1,-0.3 -0.413 70.6 148.1 -92.6 65.4 65.4 73.0 7.4 427 428 A A H <> + 0 0 1 -2,-1.6 4,-2.6 -3,-0.6 -184,-0.3 0.889 68.0 54.0 -70.3 -40.5 62.6 75.1 8.7 428 429 A S H > S+ 0 0 15 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.942 110.0 48.7 -58.9 -45.7 64.3 76.0 12.0 429 430 A T H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.943 112.6 48.7 -55.8 -49.8 67.4 77.3 10.1 430 431 A L H X S+ 0 0 18 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.875 110.0 49.2 -62.3 -38.2 65.2 79.3 7.7 431 432 A G H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -198,-0.3 0.857 109.5 53.7 -70.2 -32.7 63.1 80.9 10.5 432 433 A N H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.952 111.3 45.3 -61.2 -51.9 66.4 81.8 12.2 433 434 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.924 107.6 60.0 -54.7 -46.7 67.6 83.5 9.0 434 435 A G H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.914 105.0 47.0 -52.9 -49.5 64.2 85.2 8.6 435 436 A I H X S+ 0 0 9 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.922 109.5 53.7 -59.8 -44.5 64.5 87.1 11.9 436 437 A Q H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.922 107.3 51.6 -55.1 -45.2 68.1 88.2 11.1 437 438 A L H <>S+ 0 0 0 -4,-2.2 5,-3.2 1,-0.2 6,-0.8 0.879 107.1 53.7 -60.7 -38.1 66.8 89.7 7.8 438 439 A X H ><5S+ 0 0 42 -4,-1.9 3,-1.1 4,-0.2 -1,-0.2 0.900 108.5 48.8 -63.2 -38.7 64.2 91.6 9.7 439 440 A T H 3<5S+ 0 0 46 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.810 109.4 53.5 -70.8 -24.5 66.8 93.0 12.0 440 441 A L T 3<5S- 0 0 24 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.438 115.5-117.9 -86.0 -3.3 68.8 94.0 8.9 441 442 A D T < 5S+ 0 0 125 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.790 86.9 114.8 68.7 30.0 65.8 95.8 7.5 442 443 A E S - 0 0 52 1,-0.1 4,-1.8 -11,-0.0 -1,-0.2 -0.939 65.5 -83.1-166.2-177.8 57.5 90.6 8.9 446 447 A V H > S+ 0 0 2 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.908 121.0 55.5 -67.6 -45.0 56.9 86.8 9.2 447 448 A D H > S+ 0 0 71 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.904 109.2 48.1 -58.2 -42.1 54.0 86.8 6.7 448 449 A D H > S+ 0 0 47 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.903 110.4 52.1 -61.3 -44.3 56.3 88.4 4.1 449 450 A F H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.907 105.1 55.4 -61.1 -42.0 59.0 85.8 4.9 450 451 A R H X S+ 0 0 9 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.834 103.3 55.3 -59.3 -33.6 56.5 82.9 4.4 451 452 A Q H X S+ 0 0 107 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.886 108.0 49.4 -64.7 -39.4 55.8 84.2 0.9 452 453 A V H < S+ 0 0 0 -4,-1.5 4,-0.3 2,-0.2 -2,-0.2 0.924 113.8 45.2 -60.3 -48.8 59.6 84.0 0.2 453 454 A V H >X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 3,-1.4 0.924 111.2 53.3 -62.3 -43.4 59.7 80.4 1.6 454 455 A S H 3< S+ 0 0 56 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.797 115.2 39.3 -67.6 -28.2 56.5 79.4 -0.3 455 456 A T T 3< S+ 0 0 105 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.305 125.8 37.9 -97.1 7.5 57.9 80.6 -3.7 456 457 A T T <4 S+ 0 0 63 -3,-1.4 -2,-0.2 -4,-0.3 -3,-0.2 0.722 99.2 71.4-123.3 -50.6 61.4 79.3 -3.0 457 458 A A S < S- 0 0 30 -4,-2.8 2,-0.7 -5,-0.2 -34,-0.0 -0.181 86.1 -99.4 -73.4 161.9 61.4 76.0 -1.1 458 459 A N - 0 0 133 -3,-0.0 2,-0.5 2,-0.0 -1,-0.1 -0.747 43.0-172.5 -79.8 115.6 60.4 72.6 -2.4 459 460 A L - 0 0 55 -2,-0.7 2,-0.5 -5,-0.1 -36,-0.2 -0.957 5.5-163.4-117.5 124.8 56.8 71.9 -1.3 460 461 A T E -R 422 0F 61 -38,-2.1 -38,-2.9 -2,-0.5 2,-0.5 -0.929 10.5-141.5-112.7 123.8 55.2 68.5 -1.8 461 462 A T E -R 421 0F 73 -2,-0.5 2,-0.6 -40,-0.2 -40,-0.2 -0.688 10.9-168.8 -83.1 123.2 51.5 67.9 -1.6 462 463 A F E -R 420 0F 23 -42,-3.2 -42,-2.6 -2,-0.5 -44,-0.0 -0.962 14.3-151.8-106.5 118.7 50.1 64.8 -0.0 463 464 A T - 0 0 90 -2,-0.6 -44,-0.1 -44,-0.2 -49,-0.1 -0.788 26.1-105.9 -90.8 131.9 46.4 64.4 -0.7 464 465 A P - 0 0 39 0, 0.0 -50,-0.1 0, 0.0 -45,-0.1 -0.298 27.1-147.6 -57.4 138.5 44.3 62.5 1.9 465 466 A N > - 0 0 69 -55,-0.3 3,-1.8 1,-0.1 6,-0.3 -0.891 10.1-169.0-110.6 103.5 43.3 59.0 0.7 466 467 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -52,-0.0 0.688 86.1 54.8 -68.8 -17.3 40.0 58.1 2.2 467 468 A D T 3 S+ 0 0 120 4,-0.1 2,-0.1 5,-0.0 -53,-0.0 0.232 84.1 120.2-100.2 12.2 40.3 54.5 1.1 468 469 A S S <> S- 0 0 18 -3,-1.8 4,-3.0 1,-0.1 5,-0.2 -0.329 77.3-111.3 -71.5 156.1 43.6 54.0 2.8 469 470 A E H > S+ 0 0 97 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.936 119.7 43.2 -49.1 -52.9 44.2 51.4 5.6 470 471 A I H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.849 111.9 53.4 -69.0 -35.0 44.6 54.0 8.3 471 472 A A H > S+ 0 0 13 -6,-0.3 4,-2.7 2,-0.2 5,-0.2 0.944 111.3 47.3 -58.5 -47.9 41.7 56.0 7.0 472 473 A H H X S+ 0 0 102 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.941 113.1 48.8 -58.1 -48.7 39.7 52.8 7.2 473 474 A Y H X S+ 0 0 80 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.899 114.1 45.1 -57.0 -46.5 41.0 52.2 10.8 474 475 A V H X S+ 0 0 15 -4,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.881 109.0 54.4 -68.9 -43.0 40.2 55.8 11.9 475 476 A A H >X S+ 0 0 64 -4,-2.7 4,-0.6 1,-0.2 3,-0.6 0.933 110.1 50.4 -54.4 -44.8 36.7 55.9 10.4 476 477 A L H >< S+ 0 0 127 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.877 105.2 53.7 -62.6 -43.8 36.1 52.7 12.4 477 478 A I H 3< S+ 0 0 88 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.723 94.8 70.8 -67.6 -20.5 37.3 54.1 15.7 478 479 A H H << 0 0 147 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.838 360.0 360.0 -62.7 -32.2 35.0 57.1 15.4 479 480 A S << 0 0 138 -3,-1.1 -1,-0.2 -4,-0.6 0, 0.0 -0.955 360.0 360.0-131.0 360.0 32.0 54.7 16.0