==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 14-JUL-10 3NXL . COMPND 2 MOLECULE: GLUCARATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA SP. 383; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,J.A.GERLT,S.K.BURLEY,S.C.ALMO,NEW YO . 1697 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60658.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1126 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 111 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 170 10.0 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 . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 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 . 66 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 178 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 536 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 10 4 0 2 6 2 4 1 11 0 14 4 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 19 11 4 0 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 PARALLEL BRIDGES PER LADDER . 26 6 4 0 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 18 0 0 3 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 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 11 A T 0 0 64 0, 0.0 39,-0.1 0, 0.0 959,-0.0 0.000 360.0 360.0 360.0 126.2 82.9 49.9 24.1 2 12 A P - 0 0 6 0, 0.0 69,-2.4 0, 0.0 70,-0.4 -0.218 360.0-146.5 -64.7 150.3 82.9 48.3 20.6 3 13 A R B -A 70 0A 98 67,-0.3 37,-2.1 68,-0.1 2,-0.3 -0.875 29.9 -99.4-110.7 150.6 84.2 44.8 20.1 4 14 A V E -B 39 0B 2 65,-2.3 64,-3.0 62,-0.4 35,-0.3 -0.558 39.7-178.9 -70.8 131.8 85.9 43.7 16.9 5 15 A T E + 0 0 84 33,-3.7 2,-0.3 1,-0.4 34,-0.2 0.621 60.4 12.6-114.3 -20.3 83.3 42.0 14.8 6 16 A R E -B 38 0B 141 32,-1.4 32,-2.2 60,-0.1 2,-0.4 -0.966 54.8-162.9-159.4 142.5 85.3 40.9 11.7 7 17 A X E -B 37 0B 17 -2,-0.3 2,-0.4 30,-0.2 30,-0.2 -0.988 9.8-176.1-128.9 123.0 88.9 40.6 10.6 8 18 A Q E -B 36 0B 41 28,-2.3 28,-2.4 -2,-0.4 2,-0.5 -0.929 13.1-155.2-113.9 143.1 90.0 40.3 7.0 9 19 A V E +B 35 0B 20 -2,-0.4 26,-0.2 26,-0.2 -2,-0.0 -0.973 19.3 179.5-115.4 116.8 93.5 39.8 5.8 10 20 A I E -B 34 0B 21 24,-2.6 24,-2.1 -2,-0.5 2,-0.2 -0.924 17.9-151.3-127.2 108.4 94.0 41.0 2.3 11 21 A P E -B 33 0B 0 0, 0.0 2,-0.3 0, 0.0 22,-0.2 -0.526 23.0-173.1 -72.2 140.9 97.3 40.9 0.3 12 22 A V E -B 32 0B 0 20,-2.7 20,-2.3 -2,-0.2 2,-0.3 -0.938 10.9-153.7-135.7 158.0 97.6 43.7 -2.3 13 23 A A E -B 31 0B 3 377,-1.3 2,-0.3 -2,-0.3 18,-0.2 -0.932 9.3-177.8-133.5 156.0 100.0 44.6 -5.0 14 24 A G E -B 30 0B 5 16,-2.1 16,-2.2 -2,-0.3 2,-0.2 -0.957 31.3 -95.6-147.2 164.5 101.0 47.8 -6.8 15 25 A R E -B 29 0B 85 340,-0.6 2,-0.3 -2,-0.3 14,-0.3 -0.491 38.1-176.5 -83.2 154.9 103.3 48.8 -9.6 16 26 A D - 0 0 2 12,-2.0 129,-0.4 -2,-0.2 2,-0.1 -0.936 23.9-110.8-144.5 164.0 106.8 50.1 -9.0 17 27 A S - 0 0 1 -2,-0.3 2,-2.3 127,-0.1 142,-0.1 -0.451 45.8 -90.7 -91.2 170.5 109.7 51.6 -11.1 18 28 A X - 0 0 4 117,-0.3 117,-2.5 -2,-0.1 2,-0.1 -0.335 57.9-177.6 -80.8 60.5 113.0 49.8 -11.7 19 29 A L B -D 134 0C 0 -2,-2.3 7,-2.5 115,-0.2 2,-0.3 -0.356 16.0-139.8 -65.9 128.0 114.7 51.3 -8.6 20 30 A L E +F 25 0D 0 113,-2.9 113,-0.4 5,-0.2 2,-0.3 -0.696 32.8 149.2 -91.4 144.3 118.3 50.4 -8.2 21 31 A N E > -F 24 0D 7 3,-2.6 3,-1.4 -2,-0.3 168,-0.1 -0.870 62.1 -74.9-152.4-172.3 119.9 49.5 -4.8 22 32 A L T 3 S+ 0 0 4 166,-0.4 396,-0.4 1,-0.3 399,-0.1 0.820 127.8 52.0 -58.1 -32.7 122.6 47.4 -3.2 23 33 A C T 3 S- 0 0 53 1,-0.1 2,-0.4 394,-0.1 -1,-0.3 0.439 121.4 -97.2 -89.9 -0.9 120.5 44.3 -3.6 24 34 A G E < -F 21 0D 0 -3,-1.4 -3,-2.6 384,-0.1 2,-0.4 -0.980 65.9 -31.4 128.1-123.0 119.8 44.8 -7.3 25 35 A A E -F 20 0D 0 379,-3.0 382,-0.5 -2,-0.4 383,-0.3 -0.999 59.8-102.6-140.2 142.3 116.7 46.3 -8.8 26 36 A H - 0 0 9 -7,-2.5 4,-0.1 -2,-0.4 378,-0.1 -0.349 36.9-117.7 -61.7 137.9 113.1 46.5 -7.8 27 37 A A - 0 0 42 2,-0.2 -8,-0.2 1,-0.1 -1,-0.1 -0.229 32.4-103.6 -61.4 162.0 110.6 44.2 -9.5 28 38 A P S S+ 0 0 9 0, 0.0 -12,-2.0 0, 0.0 2,-0.3 0.583 106.2 44.9 -69.1 -10.7 107.8 45.9 -11.5 29 39 A Y E -B 15 0B 64 -14,-0.3 2,-0.3 368,-0.1 -14,-0.2 -0.985 64.1-168.5-131.8 148.3 105.4 45.0 -8.6 30 40 A F E -B 14 0B 22 -16,-2.2 -16,-2.1 -2,-0.3 2,-0.3 -0.890 14.8-143.6-123.2 162.4 105.6 45.2 -4.8 31 41 A T E -B 13 0B 40 -2,-0.3 20,-1.5 -18,-0.2 2,-0.3 -0.894 15.0-179.4-127.2 156.1 103.2 43.6 -2.3 32 42 A R E -BC 12 50B 5 -20,-2.3 -20,-2.7 -2,-0.3 2,-0.5 -0.944 24.5-122.7-142.3 162.9 101.7 44.6 1.1 33 43 A N E -BC 11 49B 0 16,-3.0 16,-2.0 -2,-0.3 2,-0.4 -0.952 21.5-157.5-112.0 128.8 99.4 43.0 3.6 34 44 A L E -BC 10 48B 0 -24,-2.1 -24,-2.6 -2,-0.5 2,-0.5 -0.855 5.6-163.8-100.4 137.1 96.2 44.7 4.7 35 45 A V E -BC 9 47B 0 12,-2.4 12,-2.3 -2,-0.4 2,-0.5 -0.990 9.7-169.4-110.7 128.7 94.3 44.0 7.9 36 46 A I E -BC 8 46B 3 -28,-2.4 -28,-2.3 -2,-0.5 2,-0.5 -0.976 2.9-170.5-119.2 122.7 90.7 45.3 8.0 37 47 A L E -BC 7 45B 0 8,-3.2 8,-3.0 -2,-0.5 2,-0.4 -0.950 5.8-164.6-117.3 128.4 88.8 45.3 11.2 38 48 A D E -BC 6 44B 37 -32,-2.2 -33,-3.7 -2,-0.5 -32,-1.4 -0.839 12.6-156.8-103.1 145.5 85.1 46.0 11.7 39 49 A D E > -B 4 0B 4 4,-2.3 3,-2.0 -2,-0.4 -35,-0.2 -0.790 31.2-104.5-121.9 169.1 83.7 46.7 15.1 40 50 A S T 3 S+ 0 0 77 -37,-2.1 -36,-0.1 1,-0.3 -1,-0.0 0.494 115.2 63.6 -71.7 -2.7 80.2 46.5 16.7 41 51 A S T 3 S- 0 0 56 -38,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.392 121.6-102.8 -97.6 2.4 79.7 50.3 16.5 42 52 A G S < S+ 0 0 68 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.539 78.8 133.7 89.7 10.0 79.8 50.1 12.7 43 53 A H - 0 0 64 -4,-0.1 -4,-2.3 60,-0.0 2,-0.4 -0.522 42.6-148.8 -90.2 160.1 83.4 51.4 12.4 44 54 A T E -C 38 0B 60 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.994 11.4-172.7-128.5 134.5 86.2 50.1 10.2 45 55 A G E -C 37 0B 0 -8,-3.0 -8,-3.2 -2,-0.4 2,-0.3 -0.919 6.2-163.8-124.1 154.0 89.9 50.2 11.0 46 56 A V E -C 36 0B 4 -2,-0.3 2,-0.3 52,-0.3 -10,-0.2 -0.982 11.2-172.3-142.1 145.8 92.8 49.3 8.8 47 57 A G E -C 35 0B 0 -12,-2.3 -12,-2.4 -2,-0.3 2,-0.4 -0.970 7.9-160.4-132.0 153.5 96.5 48.5 9.0 48 58 A E E +C 34 0B 0 -2,-0.3 -14,-0.2 -14,-0.2 3,-0.1 -0.999 18.1 160.7-135.7 136.5 99.1 47.9 6.2 49 59 A V E -C 33 0B 0 -16,-2.0 -16,-3.0 -2,-0.4 278,-0.1 -0.879 48.5 -50.6-145.0 172.1 102.4 46.1 6.6 50 60 A P E -C 32 0B 18 0, 0.0 -18,-0.3 0, 0.0 -1,-0.1 -0.094 62.0-115.5 -49.9 146.3 105.1 44.4 4.3 51 61 A G + 0 0 22 -20,-1.5 -18,-0.1 -19,-0.2 351,-0.1 -0.183 54.9 109.0 -80.5 173.8 103.8 41.8 1.9 52 62 A G > - 0 0 24 -20,-0.2 4,-2.4 1,-0.1 5,-0.1 -0.256 68.1-103.2 128.9 144.3 104.4 38.1 1.7 53 63 A E H > S+ 0 0 56 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.814 115.4 59.4 -65.3 -32.6 102.6 34.8 2.3 54 64 A G H > S+ 0 0 57 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.942 110.9 39.6 -61.4 -49.3 104.4 34.2 5.7 55 65 A I H > S+ 0 0 25 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.926 115.0 54.7 -64.6 -44.7 103.1 37.5 7.2 56 66 A R H X S+ 0 0 51 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.922 111.5 43.3 -54.3 -49.3 99.7 36.9 5.5 57 67 A H H X S+ 0 0 73 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.878 111.7 52.9 -69.9 -38.2 99.3 33.5 7.0 58 68 A A H X S+ 0 0 8 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.2 0.907 110.6 49.5 -58.8 -43.1 100.5 34.6 10.5 59 69 A L H >< S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.2 4,-0.3 0.915 108.1 52.0 -62.4 -46.4 97.9 37.3 10.4 60 70 A E H >< S+ 0 0 82 -4,-2.2 3,-1.4 1,-0.2 4,-0.3 0.893 106.5 55.2 -56.2 -42.1 95.2 34.9 9.4 61 71 A R H 3< S+ 0 0 167 -4,-2.1 3,-0.4 1,-0.3 -1,-0.2 0.752 100.8 59.6 -63.2 -24.8 96.2 32.7 12.4 62 72 A X T XX S+ 0 0 11 -4,-0.9 3,-1.1 -3,-0.8 4,-1.1 0.507 76.7 99.6 -82.6 -5.2 95.7 35.7 14.7 63 73 A T H X> S+ 0 0 40 -3,-1.4 4,-2.7 -4,-0.3 3,-1.0 0.885 78.8 49.5 -50.0 -50.5 92.1 36.1 13.8 64 74 A D H 34 S+ 0 0 148 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.737 108.2 55.3 -66.0 -22.6 90.6 34.3 16.8 65 75 A L H <4 S+ 0 0 67 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.2 0.706 117.7 33.9 -80.0 -20.8 92.7 36.4 19.2 66 76 A V H X< S+ 0 0 1 -4,-1.1 3,-1.9 -3,-1.0 -62,-0.4 0.861 97.7 81.3-101.9 -49.7 91.4 39.7 17.7 67 77 A V T 3< S+ 0 0 43 -4,-2.7 -62,-0.2 1,-0.2 3,-0.1 -0.379 99.4 23.5 -63.4 131.7 87.8 39.1 16.8 68 78 A G T 3 S+ 0 0 40 -64,-3.0 2,-0.3 1,-0.3 -1,-0.2 0.250 95.0 118.4 98.4 -11.9 85.4 39.3 19.8 69 79 A Q S < S- 0 0 87 -3,-1.9 -65,-2.3 1,-0.1 -1,-0.3 -0.696 70.6-108.7 -92.8 139.7 87.7 41.5 21.9 70 80 A S B > -A 3 0A 2 -2,-0.3 3,-1.0 -67,-0.3 -67,-0.3 -0.358 19.1-135.6 -55.5 138.6 86.9 45.0 23.1 71 81 A I G > S+ 0 0 0 -69,-2.4 3,-1.2 1,-0.3 -1,-0.1 0.713 106.3 67.7 -73.2 -19.4 88.9 47.7 21.3 72 82 A G G 3 S+ 0 0 1 -70,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.756 97.5 53.7 -63.7 -25.0 89.4 49.2 24.7 73 83 A R G <> S+ 0 0 82 -3,-1.0 4,-2.0 1,-0.2 -1,-0.3 -0.057 71.0 128.6 -99.7 31.1 91.5 46.1 25.5 74 84 A Y H <> + 0 0 13 -3,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.841 68.7 54.2 -60.4 -36.5 93.7 46.6 22.4 75 85 A Q H > S+ 0 0 6 -3,-0.3 4,-2.4 891,-0.3 -1,-0.2 0.934 108.6 47.0 -64.5 -46.6 97.0 46.3 24.4 76 86 A A H > S+ 0 0 62 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.879 112.1 52.6 -60.6 -36.4 96.0 42.9 26.0 77 87 A T H X S+ 0 0 6 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.936 109.9 47.0 -65.6 -46.4 95.0 41.7 22.5 78 88 A L H X S+ 0 0 7 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.869 111.0 52.5 -62.2 -38.4 98.4 42.8 21.0 79 89 A N H X S+ 0 0 46 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.877 108.0 50.8 -64.7 -38.7 100.2 41.1 24.0 80 90 A A H X S+ 0 0 39 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.885 110.6 50.4 -63.5 -39.0 98.2 37.8 23.3 81 91 A V H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.936 109.8 48.8 -65.5 -46.4 99.3 38.1 19.6 82 92 A R H X S+ 0 0 87 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.919 111.7 49.9 -61.0 -41.7 103.0 38.6 20.5 83 93 A A H < S+ 0 0 67 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.899 111.8 49.0 -62.4 -40.6 102.8 35.6 22.9 84 94 A A H < S+ 0 0 55 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.937 109.5 49.4 -65.9 -48.3 101.2 33.5 20.1 85 95 A L H < 0 0 44 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.718 360.0 360.0 -63.1 -21.1 103.8 34.4 17.5 86 96 A S < 0 0 112 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.716 360.0 360.0 -99.2 360.0 106.4 33.6 20.1 87 ! 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 88 128 A R >> 0 0 218 0, 0.0 3,-1.7 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0 129.0 109.8 39.8 11.4 89 129 A L H 3> + 0 0 53 1,-0.3 4,-1.8 2,-0.2 3,-0.4 0.747 360.0 66.8 -60.9 -26.9 107.1 39.2 14.0 90 130 A D H 3> S+ 0 0 44 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.785 90.8 63.6 -68.0 -26.7 106.6 43.0 14.5 91 131 A N H <> S+ 0 0 6 -3,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.910 104.9 47.0 -58.8 -40.6 105.2 43.3 11.0 92 132 A V H X S+ 0 0 7 -4,-0.7 4,-1.2 -3,-0.4 -2,-0.2 0.942 114.1 45.8 -68.2 -48.0 102.3 41.0 12.1 93 133 A I H X S+ 0 0 5 -4,-1.8 4,-2.7 1,-0.2 3,-0.2 0.908 108.6 55.7 -61.7 -43.9 101.7 42.9 15.3 94 134 A T H X S+ 0 0 0 -4,-2.8 4,-3.1 201,-0.3 5,-0.3 0.879 101.0 57.4 -61.3 -40.1 101.8 46.4 13.7 95 135 A A H X S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.921 113.7 39.7 -55.5 -45.3 99.1 45.6 11.2 96 136 A I H X S+ 0 0 0 -4,-1.2 4,-2.7 -3,-0.2 5,-0.2 0.898 114.1 53.7 -71.8 -41.5 96.7 44.7 14.0 97 137 A E H X S+ 0 0 2 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.937 108.0 50.8 -57.0 -48.8 97.8 47.5 16.2 98 138 A A H X S+ 0 0 1 -4,-3.1 4,-2.2 1,-0.2 -52,-0.3 0.945 112.1 46.3 -57.1 -49.8 97.2 50.1 13.4 99 139 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.917 113.8 47.7 -61.8 -44.9 93.7 48.8 12.8 100 140 A L H X S+ 0 0 2 -4,-2.7 4,-3.2 2,-0.2 -1,-0.2 0.911 113.3 47.1 -64.1 -43.8 92.7 48.7 16.5 101 141 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.2 -1,-0.2 0.867 109.2 55.6 -63.9 -35.2 94.1 52.2 17.2 102 142 A D H X S+ 0 0 3 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.935 113.1 41.8 -60.3 -44.6 92.2 53.4 14.1 103 143 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.917 115.1 49.7 -68.3 -43.7 89.1 52.0 15.6 104 144 A L H X S+ 0 0 5 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.880 109.4 52.4 -63.5 -39.9 89.9 53.3 19.1 105 145 A G H X>S+ 0 0 0 -4,-2.9 5,-2.4 2,-0.2 4,-0.7 0.921 110.4 47.8 -62.5 -44.0 90.6 56.7 17.7 106 146 A Q H ><5S+ 0 0 44 -4,-1.9 3,-0.7 270,-0.2 -2,-0.2 0.922 110.8 51.1 -63.4 -43.3 87.3 56.8 16.0 107 147 A H H 3<5S+ 0 0 45 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.859 118.6 37.4 -61.8 -36.3 85.5 55.6 19.1 108 148 A L H 3<5S- 0 0 1 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.421 109.5-122.4 -95.6 -0.7 87.1 58.4 21.2 109 149 A D T <<5S+ 0 0 81 -4,-0.7 -3,-0.2 -3,-0.7 -4,-0.1 0.881 72.5 114.4 59.3 44.4 86.9 61.0 18.4 110 150 A V S -g 377 0E 22 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.387 37.3-110.8 -70.8 157.9 93.5 61.0 15.7 112 152 A V G >> S+ 0 0 0 265,-2.1 3,-2.9 1,-0.3 4,-0.8 0.892 116.6 68.3 -54.8 -38.5 95.7 58.0 16.3 113 153 A A G >4 S+ 0 0 0 264,-0.3 3,-0.5 1,-0.3 -1,-0.3 0.797 93.7 58.4 -50.0 -31.6 98.6 60.4 17.1 114 154 A A G <4 S+ 0 0 14 -3,-1.5 -1,-0.3 1,-0.2 813,-0.3 0.587 103.9 51.2 -77.2 -12.0 96.7 61.4 20.2 115 155 A L G <4 S+ 0 0 15 -3,-2.9 2,-0.3 -4,-0.3 -1,-0.2 0.501 96.1 86.0-101.2 -10.8 96.7 57.8 21.5 116 156 A L S X< S- 0 0 0 -4,-0.8 3,-2.9 -3,-0.5 184,-0.1 -0.730 100.9 -44.1 -95.9 141.2 100.5 57.3 21.0 117 157 A G T 3 S- 0 0 22 -2,-0.3 3,-0.1 1,-0.3 852,-0.1 -0.140 123.5 -16.8 51.7-118.5 103.2 58.2 23.5 118 158 A E T 3 S- 0 0 38 219,-0.4 -1,-0.3 1,-0.4 813,-0.1 -0.065 109.4 -98.4-112.7 28.7 102.5 61.6 25.0 119 159 A G < - 0 0 0 -3,-2.9 -1,-0.4 -6,-0.2 -5,-0.2 -0.213 68.3 -15.2 93.2-175.1 100.1 62.7 22.3 120 160 A Q + 0 0 64 1,-0.1 217,-0.3 -3,-0.1 3,-0.1 -0.428 49.5 177.8 -70.8 133.2 100.2 64.7 19.2 121 161 A Q + 0 0 65 215,-3.8 2,-0.3 1,-0.3 216,-0.2 0.657 62.1 19.9-110.8 -23.2 103.3 66.9 18.9 122 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68.6 120.3-108.2 24.3 111.0 41.7 -20.7 142 182 A L S S- 0 0 45 -5,-0.3 2,-1.8 1,-0.1 -2,-0.1 -0.581 77.5-107.9 -89.0 150.7 109.3 42.5 -17.3 143 183 A P + 0 0 73 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.237 53.2 162.4 -77.8 52.4 106.0 44.3 -17.1 144 184 A Y - 0 0 19 -2,-1.8 -127,-0.1 -7,-0.2 -115,-0.1 -0.499 40.7-115.8 -66.0 136.5 107.2 47.7 -15.8 145 185 A R - 0 0 6 -129,-0.4 -8,-0.1 -117,-0.2 -1,-0.1 -0.180 22.8-165.8 -58.1 160.1 104.7 50.5 -16.3 146 186 A D - 0 0 75 -129,-0.0 13,-0.2 -9,-0.0 4,-0.1 0.627 5.3-167.1-117.9 -29.7 105.7 53.4 -18.6 147 187 A E > + 0 0 26 1,-0.1 3,-2.1 2,-0.1 11,-0.1 0.837 31.1 158.6 42.1 33.0 103.2 56.2 -17.9 148 188 A A T 3 + 0 0 36 1,-0.3 -1,-0.1 8,-0.1 8,-0.1 0.720 68.8 40.0 -63.2 -23.3 104.7 57.6 -21.1 149 189 A Q T 3 S+ 0 0 146 6,-0.1 -1,-0.3 7,-0.0 -2,-0.1 0.180 82.4 146.0-108.2 16.7 101.7 59.8 -21.8 150 190 A A < - 0 0 19 -3,-2.1 6,-0.1 1,-0.2 416,-0.0 -0.251 50.9-138.1 -53.4 139.4 101.1 60.9 -18.2 151 191 A R S S+ 0 0 125 4,-0.1 415,-0.3 415,-0.1 -1,-0.2 0.142 88.8 74.4 -86.1 20.6 99.7 64.5 -18.0 152 192 A T S >> S- 0 0 14 413,-0.2 4,-1.2 1,-0.1 3,-0.6 -0.988 77.6-143.6-136.0 119.4 102.1 65.0 -15.1 153 193 A P H >> S+ 0 0 28 0, 0.0 4,-2.4 0, 0.0 3,-0.7 0.887 98.3 55.8 -57.6 -44.1 105.8 65.3 -15.7 154 194 A W H 3> S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.871 102.0 57.5 -52.8 -41.7 106.9 63.4 -12.6 155 195 A F H <4 S+ 0 0 19 -3,-0.6 -1,-0.2 1,-0.2 4,-0.2 0.830 111.1 42.5 -64.9 -31.3 104.9 60.4 -13.6 156 196 A R H X< S+ 0 0 28 -4,-1.2 3,-1.2 -3,-0.7 -1,-0.2 0.915 115.6 48.7 -73.3 -45.3 106.8 60.1 -16.9 157 197 A L H >< S+ 0 0 36 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.788 97.8 67.2 -68.6 -29.3 110.2 60.8 -15.4 158 198 A R T 3< S+ 0 0 0 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.1 0.601 103.3 48.0 -72.9 -6.4 109.9 58.3 -12.5 159 199 A N T < S+ 0 0 6 -3,-1.2 -22,-0.4 -13,-0.2 2,-0.4 0.337 92.1 102.0-110.5 7.1 110.0 55.5 -15.1 160 200 A E S < S- 0 0 102 -3,-1.6 -26,-0.1 -4,-0.1 -24,-0.1 -0.727 83.4 -97.3 -98.5 138.3 113.0 56.8 -17.1 161 201 A E - 0 0 95 -2,-0.4 2,-0.3 -28,-0.1 -26,-0.2 -0.205 42.7-177.1 -49.6 135.5 116.5 55.4 -16.8 162 202 A A B +E 134 0C 4 -28,-2.4 -28,-2.1 1,-0.1 -1,-0.1 -0.911 24.5 141.0-144.5 112.2 118.6 57.5 -14.4 163 203 A L + 0 0 62 -2,-0.3 -30,-0.1 -30,-0.2 -1,-0.1 0.277 54.8 68.1-136.8 5.4 122.2 56.7 -13.9 164 204 A T S > S- 0 0 65 1,-0.1 4,-2.0 35,-0.0 5,-0.2 -0.854 85.1-107.3-131.3 161.3 124.0 60.1 -13.6 165 205 A P H > S+ 0 0 38 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.909 119.4 54.4 -53.1 -42.9 124.2 63.1 -11.3 166 206 A A H > S+ 0 0 48 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.899 106.8 49.3 -59.4 -45.0 122.2 65.1 -13.9 167 207 A A H > S+ 0 0 10 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.879 110.2 51.1 -64.6 -37.2 119.3 62.6 -13.9 168 208 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.913 110.1 49.7 -66.5 -40.9 119.2 62.5 -10.1 169 209 A A H X S+ 0 0 9 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.883 107.0 54.9 -63.9 -37.9 119.0 66.3 -10.1 170 210 A R H X S+ 0 0 132 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.879 108.0 50.5 -61.4 -38.2 116.2 66.2 -12.7 171 211 A Q H X S+ 0 0 2 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.927 108.1 52.3 -61.8 -48.2 114.3 63.9 -10.3 172 212 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.925 109.9 47.9 -54.6 -48.9 114.8 66.3 -7.4 173 213 A E H X S+ 0 0 71 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.905 113.3 47.4 -62.0 -42.6 113.4 69.2 -9.4 174 214 A A H X S+ 0 0 3 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.912 113.3 48.8 -66.1 -41.2 110.4 67.2 -10.5 175 215 A A H X>S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 5,-0.7 0.918 112.8 46.4 -65.5 -44.9 109.8 65.9 -7.0 176 216 A V H X5S+ 0 0 33 -4,-2.9 4,-1.8 -5,-0.2 -1,-0.2 0.928 110.8 54.3 -62.1 -42.2 110.0 69.4 -5.4 177 217 A D H <5S+ 0 0 61 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.910 119.5 31.9 -58.5 -44.3 107.8 70.8 -8.2 178 218 A R H <5S+ 0 0 91 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.890 137.2 18.3 -81.9 -42.8 105.0 68.3 -7.4 179 219 A Y H <5S- 0 0 9 -4,-3.1 189,-2.9 -5,-0.2 190,-0.3 0.633 91.4-125.9-111.4 -18.7 105.3 67.7 -3.7 180 220 A G << + 0 0 25 -4,-1.8 -4,-0.2 -5,-0.7 -3,-0.1 0.686 39.7 177.7 81.7 23.0 107.4 70.6 -2.3 181 221 A F - 0 0 6 -6,-0.4 -1,-0.2 1,-0.1 187,-0.1 -0.175 24.8-176.6 -58.4 146.0 110.2 68.7 -0.5 182 222 A A S S+ 0 0 58 -55,-0.5 29,-1.4 186,-0.2 2,-0.4 0.171 71.0 62.9-119.5 8.1 113.0 70.6 1.2 183 223 A D E - l 0 211H 29 -56,-0.3 -54,-2.7 27,-0.2 2,-0.3 -0.996 62.5-171.0-138.4 140.9 114.8 67.3 2.1 184 224 A F E -kl 129 212H 2 27,-3.0 29,-1.3 -2,-0.4 2,-0.4 -0.954 12.5-171.8-131.5 150.2 116.4 64.6 0.1 185 225 A K E -kl 130 213H 0 -56,-2.3 -54,-2.8 -2,-0.3 2,-0.5 -0.989 13.8-153.9-132.4 132.9 117.9 61.1 0.4 186 226 A L E -kl 131 214H 0 27,-2.5 29,-2.4 -2,-0.4 2,-0.6 -0.924 19.7-127.6-101.1 131.7 119.6 59.3 -2.4 187 227 A K E + l 0 215H 10 -56,-2.3 -54,-0.5 -2,-0.5 3,-0.1 -0.685 41.1 178.0 -74.2 115.7 119.7 55.5 -2.4 188 228 A G + 0 0 0 27,-2.2 -166,-0.4 -2,-0.6 4,-0.1 -0.153 46.5 89.2-105.5-159.5 123.4 54.7 -2.8 189 229 A G S S+ 0 0 0 2,-0.3 234,-2.5 -168,-0.1 236,-0.1 0.718 81.0 88.4 72.2 19.9 125.4 51.5 -2.9 190 230 A V S S+ 0 0 0 232,-0.3 234,-2.4 1,-0.2 235,-0.2 0.767 87.4 25.4-111.3 -62.1 124.7 51.5 -6.6 191 231 A X S S- 0 0 26 1,-0.2 -2,-0.3 232,-0.1 -1,-0.2 -0.414 107.3 -67.5 -91.7 175.8 127.5 53.5 -8.3 192 232 A A >> - 0 0 40 -2,-0.1 4,-2.1 1,-0.1 3,-0.5 -0.349 53.4-112.0 -58.6 146.5 131.0 54.0 -7.0 193 233 A G H 3> S+ 0 0 9 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.846 116.5 54.5 -53.9 -40.1 130.9 56.2 -3.9 194 234 A A H 3> S+ 0 0 55 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.915 109.1 48.9 -61.9 -39.7 132.6 59.2 -5.5 195 235 A D H <> S+ 0 0 76 -3,-0.5 4,-1.3 1,-0.2 -2,-0.2 0.891 109.7 51.7 -67.9 -37.1 130.0 59.1 -8.3 196 236 A E H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.849 106.9 53.5 -68.1 -33.6 127.2 59.0 -5.7 197 237 A X H X S+ 0 0 16 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.828 103.5 56.8 -69.1 -31.3 128.7 62.0 -3.9 198 238 A E H X S+ 0 0 113 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.855 105.2 52.7 -64.7 -34.0 128.6 63.9 -7.2 199 239 A A H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.909 107.5 49.9 -67.9 -42.4 124.9 63.2 -7.4 200 240 A I H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.931 110.6 51.2 -59.0 -44.8 124.4 64.6 -3.9 201 241 A A H X S+ 0 0 36 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.875 108.0 51.8 -58.9 -37.2 126.4 67.7 -5.0 202 242 A A H X S+ 0 0 23 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.891 109.8 49.5 -68.9 -37.8 124.1 68.0 -8.1 203 243 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.930 112.4 47.6 -62.8 -45.6 121.1 67.9 -5.8 204 244 A K H < S+ 0 0 37 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.788 104.8 59.6 -71.2 -27.4 122.6 70.6 -3.5 205 245 A A H < S+ 0 0 80 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.903 112.6 40.0 -63.6 -40.0 123.5 72.7 -6.5 206 246 A C H < S+ 0 0 46 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.843 131.5 26.4 -74.6 -36.8 119.8 72.8 -7.3 207 247 A F >< + 0 0 48 -4,-2.3 3,-1.7 -5,-0.1 -1,-0.2 -0.678 66.5 174.2-131.4 79.9 118.6 73.2 -3.7 208 248 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.739 81.1 47.6 -59.7 -27.6 121.4 74.8 -1.6 209 249 A D T 3 S+ 0 0 162 2,-0.1 2,-0.1 -26,-0.0 -5,-0.1 0.387 90.0 105.0 -98.0 3.2 119.3 75.0 1.5 210 250 A A S < S- 0 0 7 -3,-1.7 2,-0.5 -6,-0.1 -27,-0.2 -0.427 71.9-120.9 -79.4 154.5 118.0 71.5 1.5 211 251 A R E -l 183 0H 100 -29,-1.4 -27,-3.0 -2,-0.1 2,-0.4 -0.848 37.6-175.4 -86.1 130.4 119.1 68.7 3.8 212 252 A A E -l 184 0H 1 -2,-0.5 25,-2.7 23,-0.4 26,-0.8 -0.970 9.7-179.6-127.4 148.5 120.5 65.8 1.8 213 253 A T E -l 185 0H 0 -29,-1.3 -27,-2.5 -2,-0.4 2,-0.4 -0.941 16.8-143.8-137.9 161.7 121.7 62.4 2.7 214 254 A L E -l 186 0H 4 24,-0.5 26,-1.7 -2,-0.3 -27,-0.2 -0.986 8.2-160.0-124.9 137.6 123.2 59.3 0.9 215 255 A D E +l 187 0H 0 -29,-2.4 -27,-2.2 -2,-0.4 26,-0.2 -0.834 17.1 170.4-125.8 92.5 122.4 55.7 1.9 216 256 A P > - 0 0 1 0, 0.0 3,-1.7 0, 0.0 25,-0.1 0.288 49.9-122.2 -80.0 5.8 124.9 53.2 0.6 217 257 A N T 3 - 0 0 28 23,-0.4 24,-0.1 1,-0.3 27,-0.1 0.859 68.3 -57.0 52.6 40.7 123.4 50.5 2.9 218 258 A G T 3 S+ 0 0 6 23,-3.2 26,-0.7 22,-0.3 -1,-0.3 0.570 101.2 133.8 75.6 12.2 126.7 49.8 4.6 219 259 A A B < +M 243 0I 0 -3,-1.7 2,-0.2 22,-0.3 24,-0.2 0.772 47.6 80.3 -70.8 -27.7 128.5 49.0 1.4 220 260 A W B S-n 243 0I 7 22,-1.4 24,-0.6 21,-0.2 201,-0.1 -0.493 81.0-119.5 -80.8 147.5 131.6 51.1 2.0 221 261 A S > - 0 0 28 -2,-0.2 4,-2.6 22,-0.1 5,-0.2 -0.364 34.7-104.4 -69.9 165.8 134.5 50.0 4.2 222 262 A L H > S+ 0 0 19 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.943 123.6 47.9 -56.5 -47.8 135.2 52.3 7.2 223 263 A D H > S+ 0 0 126 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 113.1 47.0 -63.5 -41.4 138.3 53.7 5.4 224 264 A E H > S+ 0 0 99 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.906 113.0 49.8 -64.0 -43.3 136.4 54.3 2.2 225 265 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.912 111.4 47.8 -63.6 -45.0 133.5 55.9 4.0 226 266 A V H X S+ 0 0 15 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.903 112.2 50.3 -64.4 -39.6 135.8 58.2 6.0 227 267 A A H < S+ 0 0 79 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.884 114.8 43.9 -66.0 -38.2 137.6 59.2 2.8 228 268 A L H < S+ 0 0 41 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.887 123.4 32.5 -70.5 -40.9 134.4 60.0 1.0 229 269 A C H >< S+ 0 0 1 -4,-2.3 3,-2.4 -5,-0.2 -2,-0.2 0.658 81.9 113.3-101.8 -19.4 132.6 61.9 3.8 230 270 A R T 3< S+ 0 0 144 -4,-2.1 32,-0.1 1,-0.3 33,-0.1 -0.330 95.5 4.8 -57.8 130.0 135.4 63.7 5.7 231 271 A G T 3 S+ 0 0 59 31,-0.5 3,-0.4 1,-0.1 -1,-0.3 0.518 101.3 109.4 73.1 5.4 134.9 67.5 5.2 232 272 A Q X> + 0 0 60 -3,-2.4 4,-2.6 1,-0.2 3,-1.8 0.070 30.9 117.7-102.9 26.4 131.7 67.0 3.2 233 273 A G T 34 + 0 0 45 1,-0.3 -1,-0.2 2,-0.2 -3,-0.1 0.698 69.3 64.3 -65.8 -20.1 129.4 68.4 5.9 234 274 A H T 34 S+ 0 0 122 -3,-0.4 -1,-0.3 1,-0.1 -2,-0.1 0.646 114.1 32.8 -74.8 -15.8 128.4 71.1 3.5 235 275 A L T <4 S+ 0 0 22 -3,-1.8 2,-0.6 1,-0.2 -23,-0.4 0.819 116.3 53.6-101.2 -49.8 126.9 68.3 1.3 236 276 A L < - 0 0 5 -4,-2.6 -1,-0.2 1,-0.2 -23,-0.2 -0.805 51.5-170.7 -96.4 119.5 125.7 65.7 3.7 237 277 A A S S- 0 0 26 -25,-2.7 2,-0.3 -2,-0.6 -24,-0.2 0.794 85.6 -17.6 -73.5 -29.7 123.3 66.7 6.5 238 278 A Y - 0 0 5 -26,-0.8 2,-0.5 26,-0.1 -24,-0.5 -0.953 68.1-119.5-161.6 166.9 123.9 63.2 7.8 239 279 A A E -o 266 0J 3 26,-2.7 28,-2.4 -2,-0.3 2,-0.6 -0.973 22.3-149.5-113.6 126.0 125.3 59.9 6.5 240 280 A E E S-o 267 0J 0 -26,-1.7 -23,-0.4 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-1,-0.2 1,-0.2 -2,-0.2 0.851 114.9 45.5 -64.0 -37.6 134.4 60.2 15.4 261 301 A A H < S+ 0 0 39 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.822 125.5 27.0 -78.4 -31.8 136.6 60.4 12.3 262 302 A T H < S- 0 0 20 -4,-2.2 -31,-0.5 -5,-0.2 -2,-0.2 0.724 83.7-137.0-106.8 -26.2 134.3 62.6 10.2 263 303 A G < + 0 0 62 -4,-2.4 -4,-0.1 -5,-0.3 -3,-0.1 0.570 60.5 135.6 72.2 7.5 132.2 64.7 12.5 264 304 A I - 0 0 7 -6,-0.4 -1,-0.3 -5,-0.1 -2,-0.2 -0.783 61.7-113.9 -89.8 127.2 129.2 63.8 10.2 265 305 A P - 0 0 47 0, 0.0 -26,-2.7 0, 0.0 2,-0.4 -0.248 33.1-139.4 -56.9 144.6 126.0 62.8 11.9 266 306 A T E -o 239 0J 0 -28,-0.2 23,-2.4 -26,-0.1 22,-1.2 -0.875 19.0-174.8-111.3 143.4 125.0 59.2 11.4 267 307 A A E -op 240 289J 0 -28,-2.4 -26,-2.6 -2,-0.4 2,-0.3 -0.894 11.9-178.7-122.4 159.6 121.6 57.7 10.7 268 308 A T E + p 0 290J 0 21,-1.6 23,-2.3 -2,-0.3 -28,-0.0 -0.995 36.9 174.7-153.0 149.7 120.8 54.0 10.4 269 309 A N S S+ 0 0 33 -2,-0.3 -1,-0.1 21,-0.1 4,-0.0 -0.018 92.5 53.4-130.5 26.9 118.2 51.4 9.8 270 310 A X S 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0 86 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.856 115.4 56.6 -68.9 -36.6 124.9 49.4 22.5 281 321 A A H X>S+ 0 0 1 -4,-2.5 5,-2.6 2,-0.2 4,-0.7 0.946 111.0 42.3 -60.0 -49.1 124.4 52.0 19.8 282 322 A V H ><5S+ 0 0 12 -4,-2.9 3,-0.8 1,-0.2 -2,-0.2 0.913 111.9 54.9 -64.7 -43.5 123.6 54.7 22.3 283 323 A R H 3<5S+ 0 0 70 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.877 114.5 39.7 -58.7 -41.3 126.4 53.7 24.6 284 324 A L H 3<5S- 0 0 53 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.561 107.2-125.3 -82.4 -9.8 129.0 53.9 21.8 285 325 A Q T <<5 + 0 0 100 -3,-0.8 -3,-0.2 -4,-0.7 3,-0.1 0.941 61.9 145.7 55.8 49.3 127.4 57.1 20.4 286 326 A A < + 0 0 0 -5,-2.6 2,-0.4 1,-0.2 -4,-0.1 0.616 55.0 47.6 -84.0 -17.8 127.2 55.3 17.1 287 327 A V + 0 0 9 -6,-0.5 -1,-0.2 1,-0.1 -20,-0.1 -0.932 40.3 173.1-144.0 111.5 124.0 56.9 16.0 288 328 A D S S+ 0 0 30 -22,-1.2 27,-2.3 -2,-0.4 -21,-0.2 0.816 89.0 36.1 -77.3 -33.3 122.7 60.5 15.9 289 329 A I E -p 267 0J 5 -23,-2.4 -21,-1.6 25,-0.2 2,-0.6 -0.834 69.7-165.3-131.8 91.6 119.5 59.5 14.0 290 330 A P E -p 268 0J 0 0, 0.0 27,-1.5 0, 0.0 2,-0.6 -0.667 15.2-148.4 -74.6 117.4 117.8 56.2 14.7 291 331 A L B -r 317 0L 4 -23,-2.3 2,-0.5 -2,-0.6 27,-0.3 -0.813 16.9-175.6 -90.2 123.0 115.4 55.5 11.9 292 332 A A - 0 0 0 25,-2.4 14,-0.1 -2,-0.6 -23,-0.1 -0.777 12.3-156.9-124.6 86.6 112.5 53.5 13.4 293 333 A D >> - 0 0 6 -2,-0.5 4,-1.8 1,-0.2 3,-1.6 -0.470 15.8-140.2 -56.0 120.7 110.0 52.4 10.8 294 334 A P H 3> S+ 0 0 1 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.771 99.7 66.1 -57.9 -26.6 106.7 51.9 12.7 295 335 A H H 34 S+ 0 0 0 1,-0.2 -201,-0.3 2,-0.2 -200,-0.2 0.807 114.1 30.1 -66.5 -27.6 106.0 48.8 10.6 296 336 A F H <4 S+ 0 0 65 -3,-1.6 -1,-0.2 2,-0.1 -206,-0.2 0.605 130.6 36.2-104.2 -18.7 109.1 47.1 12.2 297 337 A W H < S- 0 0 19 -4,-1.8 4,-0.3 1,-0.1 -2,-0.2 0.498 111.2-114.9-105.2 -6.3 109.1 48.8 15.6 298 338 A T X - 0 0 13 -4,-1.8 4,-2.4 -5,-0.3 5,-0.2 0.097 30.3 -92.4 71.1 159.1 105.3 48.9 16.0 299 339 A X H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.930 129.2 45.2 -71.0 -42.4 103.6 52.4 16.1 300 340 A Q H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 114.8 49.6 -64.6 -40.1 103.8 52.5 19.9 301 341 A G H > S+ 0 0 8 -4,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.909 108.9 50.5 -66.8 -45.3 107.4 51.3 19.9 302 342 A S H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.908 112.6 47.7 -55.5 -46.4 108.6 53.8 17.2 303 343 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.890 106.4 56.8 -64.9 -39.5 107.1 56.6 19.2 304 344 A R H X S+ 0 0 17 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.900 108.1 48.2 -59.7 -37.2 108.6 55.4 22.4 305 345 A L H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.870 107.7 55.9 -68.3 -34.1 112.0 55.6 20.7 306 346 A A H X S+ 0 0 1 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.883 105.6 51.8 -65.9 -36.7 111.1 59.1 19.5 307 347 A Q H X S+ 0 0 17 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.911 109.8 48.9 -63.9 -42.0 110.5 60.1 23.2 308 348 A L H X S+ 0 0 5 -4,-1.7 4,-2.7 2,-0.2 6,-0.3 0.902 108.0 54.3 -65.6 -41.4 113.9 58.8 24.1 309 349 A C H X>S+ 0 0 2 -4,-2.5 5,-2.4 2,-0.2 4,-0.7 0.926 110.7 46.7 -55.3 -47.0 115.5 60.7 21.3 310 350 A R H ><5S+ 0 0 82 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.925 114.1 47.4 -61.3 -46.8 113.9 63.9 22.6 311 351 A D H 3<5S+ 0 0 33 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.880 120.4 36.7 -61.7 -38.3 114.9 63.2 26.2 312 352 A W H 3<5S- 0 0 16 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.221 113.2-103.5-110.4 15.3 118.5 62.3 25.3 313 353 A G T <<5S+ 0 0 67 -4,-0.7 -3,-0.2 -3,-0.7 2,-0.2 0.753 76.9 127.9 75.7 23.6 119.4 64.8 22.5 314 354 A L < - 0 0 44 -5,-2.4 2,-0.5 -6,-0.3 -1,-0.2 -0.461 58.0-119.4 -95.7-178.7 119.1 62.4 19.6 315 355 A T - 0 0 44 -27,-2.3 27,-0.2 -2,-0.2 2,-0.1 -0.956 22.3-142.3-129.2 114.5 117.0 63.0 16.4 316 356 A W + 0 0 3 -2,-0.5 27,-2.4 25,-0.4 2,-0.3 -0.405 28.5 157.0 -76.5 147.1 114.2 60.6 15.5 317 357 A G B -r 291 0L 0 -27,-1.5 -25,-2.4 25,-0.2 2,-0.3 -0.892 28.3-126.0-150.2-177.3 113.4 59.6 12.0 318 358 A S - 0 0 1 -27,-0.3 28,-2.0 -2,-0.3 2,-0.3 -0.979 8.8-143.8-139.4 149.9 111.6 56.8 10.2 319 359 A H - 0 0 25 -2,-0.3 2,-0.3 26,-0.1 26,-0.0 -0.738 21.1-167.0-107.9 160.6 112.5 54.4 7.3 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