==== 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 HYDROLASE 13-SEP-07 2R9V . COMPND 2 MOLECULE: ATP SYNTHASE SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA MSB8; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 487 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21606.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 29 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 2 0 1 1 2 0 1 2 0 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 2 0 2 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 . 3 3 2 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 0 0 1 1 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 17 A K > 0 0 113 0, 0.0 3,-1.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 15.1 40.8 8.0 25.0 2 18 A S T 3 + 0 0 93 1,-0.3 0, 0.0 0, 0.0 0, 0.0 0.846 360.0 19.1 -50.2 -38.8 41.8 4.2 24.6 3 19 A F T 3 S+ 0 0 199 2,-0.0 -1,-0.3 3,-0.0 2,-0.1 -0.188 88.0 143.6-131.2 38.9 44.4 4.6 27.6 4 20 A E < - 0 0 137 -3,-1.4 2,-0.3 1,-0.1 0, 0.0 -0.466 62.9 -92.9 -77.8 154.8 43.3 7.7 29.4 5 21 A E - 0 0 108 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 -0.540 36.5-160.0 -71.7 129.3 43.6 7.7 33.2 6 22 A K + 0 0 98 -2,-0.3 -1,-0.1 2,-0.1 2,-0.1 0.917 55.9 75.4 -80.1 -42.2 40.4 6.5 34.7 7 23 A I S S- 0 0 41 1,-0.1 2,-0.7 2,-0.0 -2,-0.0 -0.297 77.6-115.1 -86.2 154.0 40.4 7.8 38.3 8 24 A D > - 0 0 80 1,-0.1 4,-1.6 -2,-0.1 20,-0.3 -0.755 27.1-158.8 -74.9 110.6 39.9 11.1 40.1 9 25 A L T 4 S+ 0 0 43 -2,-0.7 20,-3.0 1,-0.2 21,-0.2 0.647 83.2 58.9 -74.1 -13.4 43.4 11.8 41.6 10 26 A E T 4 S+ 0 0 98 18,-0.2 20,-2.1 19,-0.2 -1,-0.2 0.925 123.8 16.1 -80.1 -43.1 42.1 14.2 44.3 11 27 A D T 4 S+ 0 0 32 -3,-0.2 64,-2.7 18,-0.1 2,-0.3 0.429 122.6 58.9-110.5 -0.4 39.7 11.8 46.0 12 28 A T E < +A 74 0A 27 -4,-1.6 16,-2.6 62,-0.2 17,-0.3 -0.912 56.1 168.9-137.7 150.8 40.8 8.4 44.7 13 29 A G E -AB 73 27A 0 60,-2.7 60,-2.0 -2,-0.3 2,-0.4 -0.870 25.5-123.9-152.4-178.5 44.1 6.5 44.8 14 30 A K E -AB 72 26A 66 12,-2.0 12,-2.9 -2,-0.3 2,-0.3 -0.999 29.8-113.1-142.1 133.3 45.7 3.1 44.2 15 31 A V E + B 0 25A 3 56,-2.8 55,-3.0 -2,-0.4 10,-0.3 -0.528 35.4 170.5 -70.0 128.8 47.7 1.0 46.6 16 32 A I E + 0 0 81 8,-3.0 2,-0.3 1,-0.4 9,-0.2 0.502 69.4 14.7-112.3 -13.1 51.3 0.9 45.5 17 33 A Q E + B 0 24A 16 7,-1.2 7,-2.6 51,-0.1 -1,-0.4 -0.917 66.9 176.6-161.7 136.3 52.9 -0.8 48.5 18 34 A V E + B 0 23A 37 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.993 19.6 107.9-149.9 136.4 51.2 -2.7 51.5 19 35 A G E > + B 0 22A 18 3,-2.7 3,-1.2 -2,-0.3 46,-0.0 -0.769 59.2 35.1 164.9 156.1 52.4 -4.6 54.5 20 36 A D T 3 S- 0 0 112 1,-0.3 3,-0.1 -2,-0.2 241,-0.0 0.813 128.8 -54.7 54.3 38.7 52.8 -4.6 58.3 21 37 A G T 3 S+ 0 0 13 1,-0.3 39,-2.0 38,-0.1 2,-0.3 0.637 119.4 97.5 72.9 21.1 49.5 -2.8 58.7 22 38 A I E < -BC 19 59A 2 -3,-1.2 -3,-2.7 37,-0.2 2,-0.3 -0.922 49.0-167.4-134.9 153.2 50.4 0.2 56.4 23 39 A A E -BC 18 58A 0 35,-1.9 35,-2.9 -2,-0.3 2,-0.4 -0.957 11.5-148.0-137.3 155.8 49.8 1.1 52.8 24 40 A R E -BC 17 57A 7 -7,-2.6 -8,-3.0 -2,-0.3 -7,-1.2 -0.977 23.4-158.9-119.1 137.4 51.2 3.7 50.4 25 41 A A E -BC 15 56A 0 31,-1.8 31,-2.0 -2,-0.4 2,-0.3 -0.959 19.1-137.7-127.0 141.5 48.9 5.1 47.7 26 42 A Y E S+B 14 0A 69 -12,-2.9 -12,-2.0 -2,-0.4 2,-0.2 -0.662 82.2 7.1 -78.2 146.2 49.2 6.8 44.4 27 43 A G E +B 13 0A 0 -2,-0.3 27,-0.5 -14,-0.2 29,-0.3 -0.533 61.8 124.2 83.2-147.9 46.7 9.7 44.2 28 44 A L > + 0 0 0 -16,-2.6 3,-2.0 -20,-0.3 -18,-0.2 0.858 38.6 168.2 50.8 40.3 44.5 10.8 47.1 29 45 A N T 3 + 0 0 56 -20,-3.0 -19,-0.2 -17,-0.3 -18,-0.1 0.657 69.0 44.2 -57.1 -23.0 46.1 14.3 46.3 30 46 A K T 3 S+ 0 0 117 -20,-2.1 -1,-0.3 -21,-0.2 -20,-0.1 0.147 82.1 125.4-109.3 14.4 43.6 16.2 48.5 31 47 A V < - 0 0 9 -3,-2.0 2,-0.3 -21,-0.1 6,-0.0 -0.425 48.6-144.7 -74.1 148.9 43.6 13.9 51.6 32 48 A X > - 0 0 122 4,-0.1 3,-1.7 1,-0.1 16,-0.3 -0.770 30.4 -80.4-109.0 163.5 44.3 15.5 54.9 33 49 A V T 3 S+ 0 0 29 -2,-0.3 16,-0.2 1,-0.3 3,-0.1 -0.333 115.7 13.1 -64.3 142.1 46.2 14.1 57.9 34 50 A S T 3 S+ 0 0 0 14,-2.8 46,-2.5 1,-0.2 -1,-0.3 0.481 92.9 143.3 63.6 13.6 44.1 11.8 60.1 35 51 A E E < -D 79 0A 3 -3,-1.7 13,-2.4 44,-0.2 44,-0.3 -0.537 52.0-118.2 -78.8 141.7 41.4 11.5 57.5 36 52 A L E - E 0 47A 19 42,-3.1 40,-2.4 11,-0.2 41,-0.5 -0.561 32.3-175.7 -77.7 140.8 39.6 8.2 57.0 37 53 A V E -DE 75 46A 1 9,-2.4 9,-2.3 38,-0.2 2,-0.4 -0.879 15.1-135.4-129.3 162.9 39.9 6.5 53.7 38 54 A E E -DE 74 45A 37 36,-2.6 36,-2.4 -2,-0.3 2,-1.0 -0.989 8.0-140.7-125.1 133.6 38.3 3.3 52.4 39 55 A F E > -D 73 0A 0 5,-3.0 4,-2.7 -2,-0.4 5,-0.4 -0.794 25.2-155.0 -84.3 102.6 39.8 0.4 50.5 40 56 A V T 4 S+ 0 0 69 32,-1.3 -1,-0.2 -2,-1.0 33,-0.1 0.881 81.9 47.9 -53.9 -54.7 37.0 -0.2 48.2 41 57 A E T 4 S+ 0 0 101 31,-0.4 -1,-0.2 1,-0.2 32,-0.1 0.900 124.5 30.7 -55.8 -47.2 37.4 -3.9 47.3 42 58 A T T 4 S- 0 0 47 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.691 95.6-133.1 -86.5 -24.2 37.9 -5.1 50.8 43 59 A G < + 0 0 39 -4,-2.7 -3,-0.1 1,-0.3 -2,-0.1 0.359 58.9 139.1 82.8 -7.7 35.7 -2.5 52.7 44 60 A V - 0 0 26 -5,-0.4 -5,-3.0 19,-0.1 -1,-0.3 -0.307 43.5-139.4 -67.2 154.6 38.5 -2.0 55.2 45 61 A K E -EF 38 61A 88 16,-0.6 16,-2.7 -7,-0.2 2,-0.3 -0.767 18.3-174.3-114.5 161.5 39.2 1.6 56.4 46 62 A G E -EF 37 60A 0 -9,-2.3 -9,-2.4 -2,-0.3 2,-0.4 -0.895 20.0-126.3-147.3 175.2 42.4 3.4 57.0 47 63 A V E -EF 36 59A 0 12,-2.0 12,-3.2 -2,-0.3 2,-0.2 -0.997 25.2-123.6-130.9 128.8 43.7 6.7 58.3 48 64 A A E + F 0 58A 0 -13,-2.4 -14,-2.8 -2,-0.4 10,-0.2 -0.545 34.3 164.5 -71.6 131.8 46.2 9.0 56.5 49 65 A F E + 0 0 5 8,-2.5 2,-0.3 1,-0.3 9,-0.2 0.468 64.7 39.1-121.1 -10.7 49.4 9.8 58.4 50 66 A N E - F 0 57A 14 7,-1.2 7,-1.6 -18,-0.1 -1,-0.3 -0.983 56.7-161.6-145.7 132.6 51.6 11.1 55.7 51 67 A L + 0 0 76 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 0.066 31.9 151.5-105.5 25.0 50.7 13.4 52.8 52 68 A E > - 0 0 8 3,-0.4 3,-2.5 1,-0.1 2,-0.1 -0.337 60.6 -95.5 -60.6 131.7 53.7 12.9 50.5 53 69 A E T 3 S- 0 0 126 1,-0.3 -1,-0.1 2,-0.2 -25,-0.1 -0.285 101.6 -9.5 -60.5 122.3 52.4 13.4 46.9 54 70 A D T 3 S+ 0 0 41 -27,-0.5 -1,-0.3 -3,-0.1 -26,-0.1 0.676 128.6 75.4 60.8 25.2 51.5 10.2 45.3 55 71 A N < + 0 0 2 -3,-2.5 -3,-0.4 -28,-0.2 2,-0.2 -0.241 65.5 172.0-152.9 48.7 53.0 8.3 48.2 56 72 A V E -C 25 0A 4 -31,-2.0 -31,-1.8 -29,-0.3 2,-0.4 -0.445 27.5-134.7 -70.5 130.1 50.4 8.8 50.8 57 73 A G E -CF 24 50A 0 -7,-1.6 -8,-2.5 -33,-0.2 -7,-1.2 -0.732 23.7-170.7 -88.1 129.6 50.9 6.7 54.0 58 74 A I E -CF 23 48A 0 -35,-2.9 -35,-1.9 -2,-0.4 2,-0.6 -0.987 19.6-144.6-128.4 124.9 47.9 5.0 55.4 59 75 A I E -CF 22 47A 4 -12,-3.2 -12,-2.0 -2,-0.4 2,-0.4 -0.788 26.8-136.6 -81.7 121.4 47.4 3.2 58.7 60 76 A I E - F 0 46A 12 -39,-2.0 2,-1.0 -2,-0.6 -14,-0.3 -0.663 7.4-140.1 -84.7 131.5 45.0 0.3 58.0 61 77 A L E - F 0 45A 43 -16,-2.7 -16,-0.6 -2,-0.4 2,-0.3 -0.818 68.7 -26.9 -95.1 103.3 42.4 -0.2 60.6 62 78 A G S S+ 0 0 60 -2,-1.0 2,-0.7 -18,-0.1 -2,-0.1 -0.749 118.8 29.7 99.8-140.8 42.0 -3.9 61.1 63 79 A E + 0 0 107 -2,-0.3 3,-0.3 1,-0.2 -2,-0.1 -0.453 49.3 167.2 -71.3 109.6 42.8 -6.7 58.6 64 80 A Y > + 0 0 94 -2,-0.7 3,-1.1 1,-0.2 -1,-0.2 0.472 57.1 88.6 -95.6 -3.8 45.5 -5.7 56.2 65 81 A K T 3 S+ 0 0 125 1,-0.3 -1,-0.2 -46,-0.0 -2,-0.1 0.759 86.9 52.2 -69.2 -22.8 46.1 -9.2 54.8 66 82 A D T 3 S+ 0 0 76 -3,-0.3 2,-0.5 2,-0.1 -1,-0.3 0.506 85.2 100.1 -91.8 -5.6 43.4 -8.8 52.1 67 83 A I < - 0 0 4 -3,-1.1 2,-0.3 -25,-0.0 3,-0.0 -0.734 54.0-174.2 -89.8 125.6 44.7 -5.4 50.7 68 84 A K > - 0 0 118 -2,-0.5 3,-2.1 1,-0.1 -53,-0.3 -0.814 34.5 -88.7-118.2 156.2 46.7 -5.8 47.5 69 85 A E T 3 S+ 0 0 132 -2,-0.3 -53,-0.2 1,-0.3 3,-0.1 -0.346 115.5 35.3 -54.3 137.4 48.8 -3.5 45.3 70 86 A G T 3 S+ 0 0 43 -55,-3.0 -1,-0.3 1,-0.4 -54,-0.1 0.193 84.5 134.4 98.9 -16.6 46.4 -2.1 42.7 71 87 A H < - 0 0 34 -3,-2.1 -56,-2.8 -56,-0.1 -1,-0.4 -0.410 57.9-113.7 -66.3 145.3 43.4 -1.8 45.0 72 88 A T E -A 14 0A 27 -58,-0.2 -32,-1.3 -3,-0.1 -31,-0.4 -0.596 26.0-161.5 -83.8 140.9 41.5 1.4 44.9 73 89 A V E -AD 13 39A 0 -60,-2.0 -60,-2.7 -2,-0.3 2,-0.4 -0.976 5.1-163.7-123.6 139.3 41.4 3.8 47.9 74 90 A R E -AD 12 38A 111 -36,-2.4 -36,-2.6 -2,-0.4 -62,-0.2 -0.967 22.3-116.8-129.3 132.2 38.8 6.5 48.3 75 91 A R E - D 0 37A 34 -64,-2.7 -38,-0.2 -2,-0.4 -64,-0.0 -0.486 15.7-166.0 -61.1 135.6 38.8 9.6 50.6 76 92 A L E - 0 0 47 -40,-2.4 -39,-0.2 -2,-0.2 -1,-0.1 0.516 27.4-139.7 -99.3 -8.0 36.0 9.5 53.2 77 93 A K E + 0 0 127 -41,-0.5 2,-0.4 1,-0.2 -40,-0.1 0.655 64.3 113.4 63.7 24.2 36.6 13.2 53.9 78 94 A R E - 0 0 134 -42,-0.4 -42,-3.1 3,-0.0 2,-0.3 -0.979 68.3-128.2-130.9 126.9 36.1 12.7 57.6 79 95 A I E - D 0 35A 42 -2,-0.4 -44,-0.2 -44,-0.3 -45,-0.1 -0.631 45.2 -99.6 -72.0 131.4 38.8 13.0 60.4 80 96 A I - 0 0 15 -46,-2.5 34,-2.6 -2,-0.3 35,-0.3 -0.277 44.9-149.4 -55.8 135.4 38.7 9.8 62.4 81 97 A E E -G 113 0B 69 32,-0.3 -1,-0.1 33,-0.1 145,-0.1 -0.774 11.0-157.2-112.9 154.6 36.8 10.2 65.6 82 98 A V E -G 112 0B 1 30,-3.1 30,-2.3 -2,-0.3 2,-0.2 -0.919 32.4-100.3-123.7 152.3 37.0 8.7 69.1 83 99 A P E -G 111 0B 16 0, 0.0 2,-0.3 0, 0.0 28,-0.3 -0.517 47.7-179.0 -66.7 140.3 34.3 8.4 71.7 84 100 A V E +G 110 0B 0 26,-2.3 26,-0.7 -2,-0.2 25,-0.3 -0.875 22.8 51.9-135.0 163.7 34.7 11.0 74.4 85 101 A G S > S- 0 0 2 145,-0.3 3,-2.5 -2,-0.3 4,-0.4 -0.488 92.8 -26.9 114.7-171.5 33.0 12.0 77.6 86 102 A E G > S+ 0 0 71 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.799 120.5 67.3 -54.2 -32.8 31.7 11.0 81.0 87 103 A E G 3 S+ 0 0 64 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.685 98.0 54.2 -65.7 -17.5 31.2 7.4 79.8 88 104 A L G X S+ 0 0 2 -3,-2.5 3,-2.1 2,-0.1 -1,-0.3 0.591 79.8 109.4 -92.2 -9.7 35.0 7.1 79.5 89 105 A L T < S+ 0 0 34 -3,-1.5 118,-0.2 -4,-0.4 115,-0.1 -0.423 86.3 19.9 -68.1 136.4 35.7 8.1 83.1 90 106 A G T 3 S+ 0 0 21 116,-2.8 -1,-0.3 113,-0.4 2,-0.2 0.324 106.3 115.9 87.9 -5.9 36.9 5.1 85.0 91 107 A R < - 0 0 25 -3,-2.1 117,-2.3 115,-0.2 2,-0.5 -0.610 57.9-146.6-104.5 152.9 37.8 3.3 81.8 92 108 A V E +h 208 0C 7 -2,-0.2 8,-2.6 115,-0.2 9,-0.5 -0.977 35.0 168.4-110.1 122.2 41.1 2.0 80.2 93 109 A V E -hI 209 99C 0 115,-2.9 117,-2.7 -2,-0.5 -5,-0.0 -0.908 33.9-117.1-132.2 162.1 40.8 2.2 76.4 94 110 A N > - 0 0 14 4,-2.2 3,-2.0 -2,-0.3 117,-0.2 -0.328 51.5 -86.7 -85.8 175.6 43.1 1.9 73.4 95 111 A P T 3 S+ 0 0 0 0, 0.0 116,-0.1 0, 0.0 114,-0.0 0.673 129.3 55.0 -63.5 -12.9 43.6 4.9 71.1 96 112 A L T 3 S- 0 0 45 2,-0.1 -15,-0.0 -14,-0.1 123,-0.0 0.416 122.1-104.7 -95.1 -0.1 40.5 4.1 69.0 97 113 A G S < S+ 0 0 6 -3,-2.0 9,-0.2 1,-0.3 -15,-0.0 0.519 71.6 144.9 93.8 9.0 38.4 4.0 72.1 98 114 A E - 0 0 110 1,-0.1 -4,-2.2 7,-0.1 -1,-0.3 -0.565 53.1-109.2 -80.6 141.0 38.0 0.3 72.5 99 115 A P B +I 93 0C 50 0, 0.0 -6,-0.3 0, 0.0 -1,-0.1 -0.423 32.8 177.5 -74.1 145.7 37.9 -0.9 76.1 100 116 A L + 0 0 92 -8,-2.6 -7,-0.2 -2,-0.1 -2,-0.0 0.121 68.3 74.0-126.9 14.1 40.8 -2.9 77.6 101 117 A D S S- 0 0 28 -9,-0.5 -8,-0.1 3,-0.2 -1,-0.0 0.363 95.7-120.1-115.4 3.0 39.5 -3.3 81.1 102 118 A G S S+ 0 0 81 1,-0.1 0, 0.0 2,-0.1 0, 0.0 0.480 78.7 120.3 72.0 4.3 36.8 -6.0 80.7 103 119 A K S S- 0 0 122 1,-0.2 -1,-0.1 0, 0.0 -12,-0.0 0.438 75.4-110.7 -83.2 3.9 34.1 -3.6 82.1 104 120 A G - 0 0 30 -5,-0.0 -1,-0.2 3,-0.0 -3,-0.2 -0.422 57.4 -17.7 103.2-178.2 32.0 -3.8 78.8 105 121 A P - 0 0 91 0, 0.0 -7,-0.1 0, 0.0 0, 0.0 -0.254 51.4-134.2 -61.1 155.3 31.1 -1.4 76.0 106 122 A I - 0 0 19 -9,-0.2 -8,-0.0 2,-0.0 -9,-0.0 0.851 20.2-160.3 -76.4 -39.2 31.6 2.3 76.5 107 123 A N - 0 0 110 1,-0.2 -20,-0.1 2,-0.0 2,-0.0 0.900 20.0-167.8 53.8 47.1 28.2 3.3 75.1 108 124 A A - 0 0 16 1,-0.1 -1,-0.2 -21,-0.1 -23,-0.1 -0.319 25.2-161.5 -66.8 143.7 29.5 6.8 74.5 109 125 A K S S+ 0 0 156 -25,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.628 74.4 50.9 -98.8 -16.6 27.0 9.5 73.6 110 126 A N E -G 84 0B 66 -26,-0.7 -26,-2.3 2,-0.0 2,-0.3 -0.908 58.6-174.6-126.7 154.7 29.6 11.8 72.2 111 127 A F E -G 83 0B 112 -2,-0.3 -30,-0.0 -28,-0.3 -26,-0.0 -0.946 1.1-172.0-141.0 153.1 32.5 11.7 69.7 112 128 A R E -G 82 0B 48 -30,-2.3 -30,-3.1 -2,-0.3 2,-0.2 -0.987 31.1-104.2-143.1 152.8 35.3 14.0 68.5 113 129 A P E -G 81 0B 31 0, 0.0 -32,-0.3 0, 0.0 -33,-0.1 -0.492 26.8-126.7 -72.5 145.9 37.9 13.9 65.8 114 130 A I S S+ 0 0 2 -34,-2.6 2,-0.4 -80,-0.2 115,-0.2 0.703 94.9 47.2 -69.3 -17.6 41.5 13.2 66.9 115 131 A E + 0 0 28 -35,-0.3 2,-0.3 -81,-0.1 -1,-0.1 -0.991 59.5 156.5-124.0 135.7 42.7 16.4 65.1 116 132 A I - 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0 0 41 11,-1.9 4,-1.7 -2,-0.3 5,-0.1 -0.996 26.3-138.2-140.4 143.5 68.1 14.7 87.3 331 347 A P H > S+ 0 0 56 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.766 102.2 60.3 -73.6 -25.3 69.7 11.4 88.3 332 348 A G H > S+ 0 0 52 2,-0.2 4,-1.9 1,-0.2 6,-0.2 0.930 108.5 43.8 -64.4 -47.2 72.3 13.0 90.6 333 349 A L H >>S+ 0 0 38 2,-0.2 5,-2.5 8,-0.2 4,-0.5 0.927 114.4 50.7 -60.7 -44.7 69.5 14.5 92.7 334 350 A F H ><5S+ 0 0 67 -4,-1.7 3,-1.5 7,-0.2 -2,-0.2 0.946 109.9 48.8 -59.4 -49.0 67.6 11.2 92.6 335 351 A Y H 3<5S+ 0 0 205 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.848 107.8 54.8 -63.6 -35.5 70.6 9.2 93.7 336 352 A A H 3<5S- 0 0 79 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.519 122.8-104.6 -73.4 -6.6 71.3 11.6 96.6 337 353 A G T <<5S+ 0 0 21 -3,-1.5 2,-1.5 -4,-0.5 -3,-0.2 0.572 76.6 139.6 91.6 7.8 67.7 11.1 97.9 338 354 A Q < - 0 0 21 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.722 43.9-161.7 -81.9 90.6 66.4 14.5 96.7 339 355 A R S S+ 0 0 105 -2,-1.5 68,-2.6 2,-0.1 2,-0.2 -0.994 75.6 47.2-130.2 129.1 63.1 13.0 95.5 340 356 A P S S- 0 0 22 0, 0.0 2,-1.7 0, 0.0 -1,-0.1 0.317 94.8-143.2 -62.9 141.6 61.2 14.3 93.7 341 357 A A + 0 0 0 -183,-0.6 -11,-1.9 -2,-0.2 2,-0.3 -0.240 44.7 148.4 -85.2 49.9 64.5 14.8 91.8 342 358 A I B -T 329 0G 8 -2,-1.7 2,-1.0 -13,-0.2 -13,-0.2 -0.665 47.8-138.7 -93.4 131.5 63.6 18.2 90.4 343 359 A N > - 0 0 39 -15,-2.6 4,-2.3 -2,-0.3 -15,-0.4 -0.796 21.7-174.5 -85.9 101.4 66.1 20.9 89.8 344 360 A V T 4 S+ 0 0 10 -2,-1.0 -1,-0.2 1,-0.2 27,-0.0 0.718 77.9 56.6 -77.0 -18.5 64.2 23.9 91.1 345 361 A G T 4 S+ 0 0 38 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.883 115.5 35.5 -76.1 -36.5 66.8 26.4 90.0 346 362 A L T 4 S+ 0 0 86 -3,-0.1 -2,-0.2 -18,-0.1 -1,-0.1 0.821 100.7 89.8 -86.0 -34.1 66.7 25.4 86.3 347 363 A S < - 0 0 3 -4,-2.3 2,-0.3 -19,-0.2 -20,-0.2 -0.235 57.2-176.9 -65.3 151.1 62.9 24.6 86.1 348 364 A V E -S 326 0F 60 -22,-2.3 -22,-2.3 -206,-0.1 -206,-0.1 -0.998 28.2-174.5-153.1 145.7 60.5 27.3 85.2 349 365 A S E >> +S 325 0F 11 -2,-0.3 4,-0.7 -208,-0.3 3,-0.5 -0.615 11.6 175.2-141.5 78.7 56.8 28.1 84.7 350 366 A R G >4 S+ 0 0 157 -26,-0.7 3,-1.4 1,-0.2 4,-0.3 0.940 79.2 42.5 -33.3 -74.1 56.4 31.6 83.3 351 367 A V G 34 S+ 0 0 51 -27,-0.4 4,-0.4 1,-0.3 3,-0.3 0.649 107.1 62.7 -63.6 -19.7 52.6 31.6 82.8 352 368 A G G <> S+ 0 0 0 -3,-0.5 4,-1.6 -209,-0.4 3,-0.4 0.735 79.8 82.5 -78.7 -20.3 51.8 29.9 86.1 353 369 A G T << S+ 0 0 27 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.1 0.784 91.9 45.0 -60.6 -38.8 53.1 32.5 88.5 354 370 A S T 4 S+ 0 0 87 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.827 110.9 54.1 -75.4 -35.8 50.1 34.9 88.5 355 371 A A T 4 S+ 0 0 8 -4,-0.4 -2,-0.2 -3,-0.4 -1,-0.2 0.804 84.0 106.8 -64.5 -35.0 47.6 32.0 88.9 356 372 A Q S < S- 0 0 21 -4,-1.6 5,-0.1 -227,-0.1 -211,-0.0 -0.167 83.7-102.9 -44.6 130.9 49.5 30.7 92.1 357 373 A I > - 0 0 25 1,-0.1 4,-2.6 3,-0.1 3,-0.4 -0.229 23.7-116.9 -65.3 155.6 47.5 31.5 95.2 358 374 A K H > S+ 0 0 106 106,-0.3 4,-2.9 1,-0.3 107,-0.3 0.889 111.9 58.1 -58.5 -46.7 48.5 34.4 97.4 359 375 A A H > S+ 0 0 0 105,-2.7 4,-0.6 1,-0.2 -1,-0.3 0.888 111.5 44.0 -52.0 -40.2 49.3 32.2 100.5 360 376 A X H >> S+ 0 0 2 -3,-0.4 4,-2.9 104,-0.3 3,-1.2 0.911 110.1 53.5 -76.0 -41.6 51.7 30.3 98.4 361 377 A K H 3X S+ 0 0 95 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.887 102.5 62.1 -53.5 -40.2 53.2 33.5 96.8 362 378 A Q H 3< S+ 0 0 65 -4,-2.9 -1,-0.2 1,-0.2 4,-0.2 0.718 117.5 26.5 -61.7 -23.4 53.7 34.7 100.4 363 379 A V H S+ 0 0 69 -4,-0.2 4,-3.0 2,-0.2 5,-0.2 0.873 113.1 56.7 -65.2 -40.5 61.5 33.8 100.3 367 383 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.954 107.9 47.7 -52.7 -51.6 62.0 30.2 99.5 368 384 A R H X S+ 0 0 102 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.897 113.8 46.3 -62.1 -42.4 63.3 31.1 96.1 369 385 A I H X S+ 0 0 110 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.931 111.9 50.1 -65.3 -48.5 65.7 33.7 97.5 370 386 A D H X S+ 0 0 30 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.853 112.9 47.1 -59.0 -38.2 67.0 31.5 100.3 371 387 A L H X S+ 0 0 2 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.897 110.9 52.3 -72.8 -38.5 67.7 28.7 97.8 372 388 A A H X S+ 0 0 42 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.950 112.0 45.7 -57.9 -49.7 69.4 31.1 95.4 373 389 A Q H X S+ 0 0 65 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.937 112.6 52.1 -61.8 -45.2 71.7 32.3 98.2 374 390 A Y H X S+ 0 0 41 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.921 109.9 47.1 -54.3 -47.3 72.3 28.7 99.2 375 391 A R H X S+ 0 0 116 -4,-2.8 4,-0.9 2,-0.2 -1,-0.2 0.915 109.0 54.2 -72.4 -35.2 73.4 27.6 95.8 376 392 A E H >< S+ 0 0 116 -4,-2.4 3,-1.4 1,-0.2 4,-0.3 0.970 111.5 46.0 -54.9 -53.6 75.7 30.6 95.3 377 393 A L H >X S+ 0 0 10 -4,-2.4 4,-2.7 1,-0.3 3,-1.6 0.835 102.5 64.1 -59.5 -34.8 77.4 29.8 98.6 378 394 A E H 3< S+ 0 0 77 -4,-2.1 4,-0.5 1,-0.3 -1,-0.3 0.730 83.1 79.6 -68.7 -16.0 77.7 26.1 97.6 379 395 A T T << S+ 0 0 111 -3,-1.4 -1,-0.3 -4,-0.9 -2,-0.2 0.807 121.7 0.8 -45.7 -41.1 79.9 27.1 94.7 380 396 A F T X> S+ 0 0 90 -3,-1.6 3,-2.3 -4,-0.3 4,-1.0 0.492 99.4 106.9-131.6 -13.4 82.8 27.4 97.2 381 397 A A G >< S+ 0 0 17 -4,-2.7 3,-0.8 1,-0.3 -3,-0.1 0.827 81.2 52.7 -45.3 -44.9 81.5 26.4 100.6 382 398 A Q G 34 S+ 0 0 160 -4,-0.5 -1,-0.3 1,-0.2 -4,-0.1 0.740 115.5 40.9 -71.8 -14.7 83.2 23.0 100.7 383 399 A F G <4 S+ 0 0 160 -3,-2.3 -1,-0.2 3,-0.0 -2,-0.2 0.479 86.2 121.8-107.6 1.2 86.6 24.6 99.9 384 400 A A << - 0 0 34 -4,-1.0 3,-0.1 -3,-0.8 -3,-0.0 -0.335 61.6-141.6 -60.9 130.6 86.3 27.7 102.2 385 401 A T S S- 0 0 145 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.774 85.3 -20.6 -62.3 -22.8 89.0 28.1 104.8 386 402 A E - 0 0 154 -5,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.912 60.0-142.4-177.8 155.1 86.1 29.3 107.1 387 403 A L - 0 0 31 -2,-0.3 5,-0.0 -3,-0.1 -6,-0.0 -0.996 27.1-116.8-130.7 136.2 82.5 30.8 106.8 388 404 A D > - 0 0 87 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.157 33.1-102.6 -71.0 164.8 81.1 33.5 109.0 389 405 A P H > S+ 0 0 109 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.882 122.0 53.1 -55.1 -40.6 78.1 32.8 111.3 390 406 A A H > S+ 0 0 62 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.894 111.6 45.9 -60.4 -42.3 75.7 34.6 109.0 391 407 A T H > S+ 0 0 23 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 111.3 51.4 -68.4 -45.5 76.9 32.5 106.0 392 408 A R H X S+ 0 0 130 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.882 108.7 53.0 -56.6 -39.8 76.7 29.3 108.0 393 409 A A H X S+ 0 0 46 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.898 107.4 50.5 -63.0 -43.9 73.1 30.3 108.9 394 410 A Q H X S+ 0 0 77 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.893 111.2 49.4 -60.0 -41.8 72.2 30.7 105.2 395 411 A I H X S+ 0 0 17 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.953 111.2 49.0 -63.3 -50.3 73.6 27.3 104.5 396 412 A I H X S+ 0 0 56 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.915 111.5 48.9 -54.8 -48.3 71.7 25.7 107.3 397 413 A R H X S+ 0 0 57 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.950 111.0 51.0 -56.3 -49.6 68.4 27.4 106.2 398 414 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.883 108.3 50.9 -57.3 -43.1 69.0 26.2 102.6 399 415 A Q H X S+ 0 0 65 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.857 110.7 50.1 -64.3 -35.4 69.6 22.6 103.8 400 416 A R H X S+ 0 0 19 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.924 109.3 50.7 -67.6 -43.9 66.4 22.7 105.7 401 417 A L H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.903 108.8 51.2 -62.6 -40.5 64.4 24.0 102.8 402 418 A X H < S+ 0 0 48 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.856 107.5 53.3 -63.2 -37.3 65.7 21.3 100.4 403 419 A E H >< S+ 0 0 27 -4,-1.4 3,-1.1 1,-0.2 -1,-0.2 0.882 105.6 54.1 -64.9 -38.1 64.7 18.7 102.9 404 420 A L H 3< S+ 0 0 2 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.752 101.4 59.9 -68.7 -23.3 61.2 20.2 102.9 405 421 A L T 3< S+ 0 0 4 -4,-1.2 -268,-0.4 -3,-0.1 -1,-0.2 0.579 84.6 96.9 -80.1 -14.0 61.1 19.8 99.1 406 422 A K < + 0 0 35 -3,-1.1 2,-0.3 -4,-0.5 -270,-0.1 -0.536 54.3 172.7 -71.0 145.4 61.6 16.0 99.5 407 423 A Q - 0 0 17 -68,-2.6 3,-0.1 -2,-0.2 2,-0.1 -0.957 30.5-114.5-160.0 136.9 58.3 14.2 99.3 408 424 A E > - 0 0 133 -2,-0.3 3,-1.0 1,-0.1 0, 0.0 -0.332 42.0 -94.9 -75.6 153.1 57.3 10.6 99.2 409 425 A Q T 3 S+ 0 0 97 1,-0.2 -1,-0.1 -2,-0.1 -246,-0.1 -0.301 105.9 21.2 -65.5 148.6 55.5 9.1 96.2 410 426 A Y T 3 S+ 0 0 59 -248,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.631 97.3 104.2 68.0 21.0 51.7 9.0 96.2 411 427 A S < + 0 0 53 -3,-1.0 -3,-0.1 2,-0.0 -1,-0.1 -0.431 44.3 175.2-128.0 56.6 51.4 11.7 98.8 412 428 A P - 0 0 27 0, 0.0 -277,-0.2 0, 0.0 -278,-0.1 -0.381 24.4-136.5 -66.2 149.2 50.3 14.9 97.2 413 429 A X - 0 0 21 -279,-2.9 5,-0.0 1,-0.0 -2,-0.0 -0.859 14.1-108.0-113.1 136.5 49.7 17.6 99.8 414 430 A P >> - 0 0 49 0, 0.0 4,-1.9 0, 0.0 3,-0.6 -0.346 33.9-117.0 -56.7 147.5 46.8 20.2 100.1 415 431 A V H 3> S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.887 112.8 55.9 -60.1 -39.1 48.0 23.7 99.3 416 432 A E H 3> S+ 0 0 20 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.858 109.3 47.1 -64.5 -31.4 47.2 25.0 102.8 417 433 A E H <> S+ 0 0 26 -3,-0.6 4,-2.1 2,-0.2 5,-0.2 0.832 109.3 53.5 -73.5 -39.1 49.5 22.4 104.3 418 434 A Q H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.936 109.3 51.7 -58.0 -45.4 52.2 23.1 101.8 419 435 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.941 110.5 43.7 -60.1 -50.5 51.9 26.7 102.9 420 436 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.888 116.0 48.9 -67.5 -36.3 52.2 26.2 106.7 421 437 A V H X S+ 0 0 3 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.924 113.8 45.1 -65.9 -44.5 55.1 23.7 106.3 422 438 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.2 5,-0.2 0.819 109.3 57.4 -70.2 -31.0 57.0 26.0 103.9 423 439 A F H X S+ 0 0 3 -4,-2.2 4,-2.6 -5,-0.2 6,-0.3 0.961 103.8 52.6 -60.0 -51.5 56.3 28.9 106.3 424 440 A A H <>S+ 0 0 2 -4,-2.2 5,-1.7 1,-0.2 6,-0.5 0.909 114.2 44.6 -49.7 -45.0 58.0 27.0 109.1 425 441 A G H ><5S+ 0 0 0 -4,-1.6 3,-1.9 1,-0.2 5,-0.3 0.979 113.7 44.3 -66.9 -56.3 61.0 26.6 106.8 426 442 A V H 3<5S+ 0 0 1 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.827 112.0 55.4 -63.4 -28.5 61.4 30.1 105.3 427 443 A R T 3<5S- 0 0 95 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.464 117.3-110.9 -83.9 -4.2 60.9 31.6 108.8 428 444 A G T X 5S+ 0 0 16 -3,-1.9 3,-1.5 -4,-0.3 4,-0.4 0.392 75.3 131.7 99.3 2.4 63.7 29.6 110.3 429 445 A Y T 3 S+ 0 0 2 -6,-0.5 3,-2.1 -5,-0.3 -1,-0.3 0.495 84.6 95.2-106.3 -4.5 63.7 24.1 111.4 431 447 A D T < S+ 0 0 39 -3,-1.5 -2,-0.1 1,-0.3 -1,-0.1 0.860 83.4 50.5 -56.7 -39.6 67.2 25.7 111.5 432 448 A D T 3 S+ 0 0 123 -4,-0.4 -1,-0.3 2,-0.1 -2,-0.1 0.441 96.6 86.1 -83.1 4.6 67.9 24.3 115.0 433 449 A L S < S- 0 0 5 -3,-2.1 5,-0.1 1,-0.1 2,-0.0 -0.753 90.4 -98.7 -97.9 150.9 66.9 20.7 114.1 434 450 A P > - 0 0 41 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.381 32.6-123.4 -58.1 141.0 69.2 18.1 112.6 435 451 A V G > S+ 0 0 36 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.884 110.1 63.4 -59.4 -37.2 68.5 17.9 108.9 436 452 A E G 3 S+ 0 0 144 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.625 101.4 53.2 -63.7 -10.7 67.8 14.2 109.2 437 453 A E G <> S+ 0 0 35 -3,-1.9 4,-2.3 1,-0.1 -1,-0.3 0.430 78.7 91.9-107.1 0.0 64.8 15.0 111.4 438 454 A V H <> S+ 0 0 0 -3,-1.7 4,-2.6 -4,-0.3 5,-0.2 0.919 84.3 54.0 -59.7 -44.1 63.0 17.5 109.2 439 455 A R H > S+ 0 0 85 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.942 112.5 43.6 -57.7 -50.8 60.8 14.8 107.5 440 456 A R H > S+ 0 0 71 -4,-0.3 4,-3.1 2,-0.2 5,-0.3 0.889 111.4 53.9 -61.5 -42.0 59.6 13.6 110.9 441 457 A F H X S+ 0 0 4 -4,-2.3 4,-3.3 1,-0.2 -1,-0.2 0.923 109.7 48.8 -58.0 -44.2 59.0 17.2 112.2 442 458 A E H X S+ 0 0 13 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.925 112.8 46.9 -60.6 -47.9 56.9 17.8 109.1 443 459 A K H X S+ 0 0 112 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.938 118.3 41.0 -60.7 -50.2 54.9 14.7 109.7 444 460 A E H X S+ 0 0 53 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.884 112.2 55.9 -68.7 -36.8 54.4 15.4 113.4 445 461 A F H X S+ 0 0 1 -4,-3.3 4,-2.5 -5,-0.3 -1,-0.2 0.918 106.5 49.5 -59.7 -43.6 53.8 19.1 112.8 446 462 A L H X S+ 0 0 18 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.896 110.1 50.1 -71.0 -36.9 50.9 18.5 110.4 447 463 A R H X S+ 0 0 146 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.932 111.6 51.0 -56.4 -48.9 49.2 16.1 112.8 448 464 A F H X S+ 0 0 12 -4,-2.4 4,-2.5 1,-0.2 5,-0.4 0.860 106.7 52.9 -56.5 -43.5 49.6 18.7 115.4 449 465 A X H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.898 113.6 42.9 -63.1 -40.9 48.1 21.4 113.2 450 466 A H H < S+ 0 0 79 -4,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.878 116.6 48.7 -69.7 -37.4 45.0 19.2 112.6 451 467 A E H < S+ 0 0 149 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.893 133.8 7.7 -71.2 -39.6 44.7 18.2 116.2 452 468 A K H < S+ 0 0 117 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.526 134.4 34.0-123.8 -9.1 45.1 21.7 117.7 453 469 A H >X + 0 0 34 -4,-2.0 3,-1.6 -5,-0.4 4,-1.2 -0.049 59.3 136.1-144.1 38.4 44.9 24.3 115.0 454 470 A Q H 3> S+ 0 0 68 -4,-0.4 4,-3.1 1,-0.3 5,-0.2 0.809 71.7 67.0 -55.8 -31.6 42.6 23.2 112.2 455 471 A D H 3> S+ 0 0 78 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.808 96.8 53.5 -64.1 -28.2 41.1 26.6 112.2 456 472 A I H <> S+ 0 0 0 -3,-1.6 4,-2.5 2,-0.2 5,-0.2 0.941 111.4 44.7 -68.2 -48.7 44.5 28.0 110.8 457 473 A L H X S+ 0 0 0 -4,-1.2 4,-2.8 1,-0.2 -2,-0.2 0.940 113.4 51.7 -60.7 -46.1 44.5 25.5 107.9 458 474 A D H X S+ 0 0 75 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.874 109.9 49.2 -58.8 -37.8 40.8 26.2 107.3 459 475 A D H X S+ 0 0 36 -4,-1.7 4,-3.2 2,-0.2 5,-0.4 0.943 112.1 45.8 -70.4 -49.5 41.5 30.0 107.2 460 476 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.948 115.2 50.1 -55.3 -48.1 44.4 29.8 104.7 461 477 A K H < S+ 0 0 121 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.939 116.2 39.7 -55.3 -51.1 42.4 27.3 102.6 462 478 A T H < S+ 0 0 109 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.923 124.8 35.9 -70.8 -43.6 39.3 29.5 102.5 463 479 A K H < S- 0 0 103 -4,-3.2 -1,-0.2 2,-0.2 -2,-0.2 0.709 91.2-142.5 -84.8 -22.7 41.0 32.9 102.1 464 480 A K S < S+ 0 0 124 -4,-2.7 -105,-2.7 -5,-0.4 -106,-0.3 0.604 74.9 76.8 67.1 14.7 43.8 31.6 99.9 465 481 A E S S- 0 0 65 -6,-0.3 2,-0.7 -107,-0.3 -1,-0.2 -0.928 85.2-115.7-141.3 164.6 46.2 34.0 101.7 466 482 A L - 0 0 7 -2,-0.3 2,-0.1 -3,-0.1 -6,-0.0 -0.920 36.0-154.5-102.9 103.5 47.9 34.1 105.1 467 483 A T > - 0 0 15 -2,-0.7 4,-3.4 1,-0.1 5,-0.2 -0.352 26.6-110.1 -73.6 162.1 46.4 37.1 106.9 468 484 A S H > S+ 0 0 84 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.880 120.2 51.9 -62.1 -37.5 48.4 38.9 109.7 469 485 A E H > S+ 0 0 123 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.949 114.2 40.3 -63.7 -52.8 46.1 37.6 112.2 470 486 A T H > S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.885 112.9 57.6 -66.7 -35.9 46.4 33.9 111.0 471 487 A E H X S+ 0 0 35 -4,-3.4 4,-2.5 1,-0.2 -1,-0.2 0.916 106.0 48.8 -58.6 -45.7 50.1 34.5 110.5 472 488 A E H X S+ 0 0 98 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.936 111.4 48.9 -61.7 -45.0 50.6 35.5 114.1 473 489 A K H X S+ 0 0 100 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.843 110.3 52.7 -60.1 -35.4 48.7 32.4 115.3 474 490 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.917 105.8 52.8 -67.1 -47.3 50.8 30.2 113.0 475 491 A K H X S+ 0 0 45 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.937 113.0 45.4 -52.0 -47.1 54.0 31.6 114.5 476 492 A K H X S+ 0 0 87 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.864 110.4 53.1 -68.4 -37.3 52.7 30.7 117.9 477 493 A A H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.891 110.2 47.9 -64.9 -39.6 51.5 27.2 116.9 478 494 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.965 112.9 47.3 -65.8 -50.2 54.9 26.4 115.5 479 495 A E H X S+ 0 0 100 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.918 112.8 51.6 -55.2 -42.5 56.6 27.7 118.6 480 496 A E H X S+ 0 0 77 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.897 109.5 48.5 -62.0 -43.4 54.1 25.6 120.6 481 497 A F H >X S+ 0 0 12 -4,-2.4 3,-1.4 1,-0.2 4,-1.1 0.899 107.1 55.3 -63.2 -42.9 54.8 22.5 118.6 482 498 A K H >< S+ 0 0 47 -4,-2.6 3,-0.7 1,-0.3 -2,-0.2 0.897 94.4 70.8 -60.1 -40.2 58.5 22.9 119.0 483 499 A T H 3< S+ 0 0 115 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.773 113.3 25.7 -37.4 -38.7 58.0 23.0 122.8 484 500 A T H << S+ 0 0 95 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 0.471 89.3 118.6-115.6 -2.3 57.2 19.3 122.8 485 501 A F << - 0 0 19 -4,-1.1 2,-0.8 -3,-0.7 -44,-0.0 -0.518 60.2-134.4 -71.7 126.4 59.0 17.9 119.7 486 502 A R 0 0 210 -2,-0.3 -1,-0.1 1,-0.0 -2,-0.1 -0.720 360.0 360.0 -87.0 108.3 61.5 15.3 120.6 487 503 A V 0 0 122 -2,-0.8 -54,-0.0 -46,-0.0 -1,-0.0 -0.318 360.0 360.0 -71.0 360.0 64.8 15.8 118.8