==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-AUG-98 1MAB . COMPND 2 MOLECULE: PROTEIN (F1-ATPASE ALPHA CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.A.BIANCHET,L.M.AMZEL . 1102 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50008.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 786 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 123 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 169 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.8 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 7 2 0 4 0 2 2 2 1 1 2 3 0 1 0 1 1 1 0 0 0 1 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 3 1 3 4 0 1 2 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 . 12 2 7 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 1 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 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 10 A S 0 0 119 0, 0.0 2,-0.3 0, 0.0 81,-0.0 0.000 360.0 360.0 360.0 124.1 19.6 31.0 47.7 2 11 A S - 0 0 86 7,-0.0 2,-0.2 0, 0.0 7,-0.0 -0.958 360.0-155.2-150.7 167.6 18.5 33.5 45.0 3 12 A I - 0 0 62 -2,-0.3 2,-0.2 9,-0.1 7,-0.2 -0.608 24.6 -95.5-131.3-169.2 15.9 34.3 42.4 4 13 A L - 0 0 39 5,-3.0 5,-0.3 -2,-0.2 -1,-0.0 -0.643 25.3-109.4-116.0 172.1 15.5 36.3 39.2 5 14 A E S S+ 0 0 182 -2,-0.2 2,-2.3 1,-0.1 5,-0.2 0.883 85.8 91.3 -62.7 -53.5 14.2 39.7 37.9 6 15 A E S S- 0 0 174 3,-0.1 4,-0.3 1,-0.1 -1,-0.1 -0.268 105.0 -47.2 -55.8 72.3 11.0 39.0 36.1 7 16 A R S > S- 0 0 197 -2,-2.3 3,-2.5 2,-0.1 2,-1.5 0.818 108.6 -17.1 68.1 125.7 8.4 39.3 38.9 8 17 A I T 3 S- 0 0 185 1,-0.3 -1,-0.1 -3,-0.1 -3,-0.1 0.267 138.2 -24.1 37.4 -2.1 8.4 38.0 42.5 9 18 A G T 3 S- 0 0 16 -2,-1.5 -5,-3.0 -5,-0.3 2,-1.5 0.029 75.3-173.2 162.4 -33.2 11.0 35.3 41.9 10 19 A A S < S+ 0 0 47 -3,-2.5 2,-0.5 -4,-0.3 -5,-0.1 -0.285 70.1 25.6 53.6 -81.8 10.8 34.7 38.2 11 20 A D S S+ 0 0 97 -2,-1.5 -7,-0.1 1,-0.1 -1,-0.0 -0.943 91.2 76.4-121.9 119.4 13.2 31.8 37.9 12 21 A T S > S+ 0 0 27 -2,-0.5 3,-1.5 -9,-0.1 6,-0.2 -0.232 82.6 57.3-169.9 -76.7 13.9 29.4 40.8 13 22 A S T 3 S+ 0 0 30 1,-0.3 6,-0.2 5,-0.1 66,-0.1 0.656 79.4 94.2 -44.7 -30.9 11.2 26.8 41.4 14 23 A V T 3 S+ 0 0 95 1,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.640 81.5 59.4 -42.1 -22.6 11.4 25.5 37.8 15 24 A D X> - 0 0 61 -3,-1.5 4,-1.8 1,-0.1 3,-1.0 -0.934 64.0-159.4-121.1 117.3 13.8 22.8 39.0 16 25 A L T 34 S+ 0 0 52 -2,-0.5 20,-2.2 1,-0.2 21,-0.1 0.443 88.3 78.5 -68.8 2.1 12.8 20.2 41.7 17 26 A E T 34 S+ 0 0 98 18,-0.2 20,-2.3 19,-0.2 -1,-0.2 0.929 113.7 13.5 -74.3 -51.3 16.6 19.8 42.1 18 27 A E T <4 S+ 0 0 78 -3,-1.0 63,-1.0 -6,-0.2 2,-0.3 0.473 137.1 35.2-103.7 -10.3 17.0 23.0 44.2 19 28 A T E < -A 80 0A 2 -4,-1.8 16,-0.6 -6,-0.2 17,-0.4 -0.841 63.0-161.3-132.5 177.2 13.3 23.5 44.9 20 29 A G E -A 79 0A 0 59,-1.6 59,-1.9 14,-0.3 2,-0.6 -0.930 17.8-130.5-165.7 138.8 10.2 21.5 45.6 21 30 A R E -A 78 0A 122 -2,-0.3 12,-0.7 57,-0.2 57,-0.2 -0.821 42.0-102.5 -97.1 114.5 6.4 22.0 45.5 22 31 A V B -E 32 0B 7 55,-3.2 10,-0.2 -2,-0.6 3,-0.1 0.023 32.4-172.5 -34.6 131.1 4.5 20.8 48.6 23 32 A L - 0 0 69 8,-1.9 2,-0.2 1,-0.4 9,-0.2 0.895 69.2 -9.8 -92.9 -60.4 2.7 17.4 48.2 24 33 A S - 0 0 35 7,-1.5 7,-0.4 532,-0.1 -1,-0.4 -0.671 65.7-179.8-126.9-176.9 0.8 17.2 51.5 25 34 A I + 0 0 5 -2,-0.2 529,-3.9 5,-0.2 2,-0.2 -0.753 16.9 132.4 174.6 138.8 0.9 19.3 54.7 26 35 A G S S+ 0 0 13 527,-0.2 527,-0.1 -2,-0.2 3,-0.1 -0.652 71.0 22.2 167.3 131.0 -0.9 19.4 58.1 27 36 A D S S- 0 0 32 525,-0.4 248,-0.1 -2,-0.2 39,-0.1 0.904 124.9 -69.4 64.4 39.1 0.2 19.6 61.6 28 37 A G S S+ 0 0 9 1,-0.1 38,-0.9 37,-0.1 -1,-0.2 0.852 106.7 112.0 42.5 65.0 3.5 21.2 60.5 29 38 A I - 0 0 11 36,-0.3 36,-0.2 -3,-0.1 -1,-0.1 -0.451 52.6-163.0-153.1 52.6 5.2 18.3 58.7 30 39 A A - 0 0 0 34,-0.4 34,-3.2 33,-0.1 2,-1.7 -0.271 11.1-148.6 -50.6 112.9 5.1 19.5 55.1 31 40 A R - 0 0 45 -7,-0.4 -8,-1.9 32,-0.3 -7,-1.5 -0.721 28.2-162.8 -84.9 87.5 5.8 16.4 53.0 32 41 A V B -E 22 0B 0 -2,-1.7 30,-1.6 -10,-0.2 31,-0.4 -0.481 8.7-142.8 -75.4 146.5 7.5 18.5 50.3 33 42 A H S S+ 0 0 70 -12,-0.7 2,-0.8 28,-0.2 46,-0.1 -0.502 70.7 17.3 -97.6 173.1 8.0 17.1 46.8 34 43 A G + 0 0 21 -14,-0.2 -14,-0.3 -2,-0.2 4,-0.1 -0.593 65.4 128.9 74.4-110.0 11.1 17.8 44.7 35 44 A L > + 0 0 2 -2,-0.8 3,-2.3 -16,-0.6 -18,-0.2 0.546 28.9 163.0 22.8 39.5 13.9 19.1 47.0 36 45 A R T 3 S+ 0 0 187 -20,-2.2 -19,-0.2 -17,-0.4 -18,-0.1 0.825 70.2 42.5 -48.6 -52.1 16.4 16.5 45.5 37 46 A N T 3 S+ 0 0 54 -20,-2.3 -1,-0.3 -21,-0.1 -19,-0.1 0.325 84.3 131.3 -80.7 7.8 19.7 18.1 46.7 38 47 A V < - 0 0 12 -3,-2.3 2,-0.3 -21,-0.2 5,-0.1 -0.266 54.1-132.7 -56.3 149.1 18.2 18.9 50.1 39 48 A Q > - 0 0 86 3,-0.1 2,-2.8 18,-0.0 3,-0.9 -0.689 31.4 -89.8 -99.1 165.9 20.5 17.8 52.9 40 49 A A T 3 S+ 0 0 62 -2,-0.3 15,-0.1 1,-0.2 -2,-0.0 -0.321 119.3 4.7 -73.7 61.2 19.4 15.8 55.9 41 50 A E T 3 S+ 0 0 82 -2,-2.8 45,-0.7 1,-0.2 2,-0.7 0.342 80.9 142.6 144.5 2.9 18.7 19.0 58.0 42 51 A E B < -F 85 0C 0 -3,-0.9 12,-1.1 43,-0.2 -1,-0.2 -0.560 56.5-122.0 -74.3 109.5 19.2 22.1 55.8 43 52 A M E -B 53 0A 5 41,-1.0 39,-0.4 -2,-0.7 10,-0.3 -0.348 35.7-149.5 -54.4 128.3 16.4 24.4 56.9 44 53 A V E -B 52 0A 0 8,-3.2 8,-1.3 37,-0.1 2,-0.5 -0.596 7.6-119.0-103.8 169.7 14.2 25.2 54.0 45 54 A E E -BC 51 80A 79 35,-3.1 35,-3.2 -2,-0.2 6,-0.2 -0.882 18.8-159.2-112.3 124.5 11.9 28.0 52.7 46 55 A F > - 0 0 4 4,-2.2 3,-0.9 -2,-0.5 4,-0.3 -0.357 35.2-106.1 -92.4 174.8 8.2 27.9 52.0 47 56 A S T 3 S+ 0 0 74 1,-0.3 2,-0.5 31,-0.2 -1,-0.1 0.891 117.4 63.6 -67.4 -37.9 6.2 30.3 49.7 48 57 A S T 3 S- 0 0 35 1,-0.1 -1,-0.3 30,-0.1 25,-0.1 0.090 122.3-104.4 -76.3 30.4 4.7 32.0 52.8 49 58 A G S < S+ 0 0 65 -3,-0.9 2,-0.4 -2,-0.5 -2,-0.2 0.948 75.7 142.1 45.9 61.3 8.2 33.1 53.8 50 59 A L - 0 0 42 -4,-0.3 -4,-2.2 22,-0.0 2,-0.2 -0.997 47.1-124.5-137.7 141.6 8.5 30.6 56.6 51 60 A K E +B 45 0A 69 -2,-0.4 16,-2.7 -6,-0.2 2,-0.3 -0.506 33.8 154.7 -82.0 151.7 11.3 28.4 57.9 52 61 A G E -BD 44 66A 0 -8,-1.3 -8,-3.2 14,-0.2 2,-0.5 -0.934 33.5-126.9-167.6 150.3 11.3 24.6 58.3 53 62 A M E -BD 43 65A 3 12,-1.6 12,-1.7 -10,-0.3 2,-0.5 -0.957 22.5-120.1-116.5 125.5 14.1 22.0 58.4 54 63 A S E + D 0 64A 0 -12,-1.1 10,-0.2 -2,-0.5 3,-0.2 -0.464 43.9 162.8 -58.3 110.9 14.2 18.9 56.1 55 64 A L + 0 0 19 8,-1.4 2,-0.4 -2,-0.5 9,-0.2 0.643 59.6 42.1-109.0 -20.4 14.1 16.1 58.7 56 65 A N - 0 0 29 6,-1.6 2,-0.4 7,-1.3 -1,-0.2 -0.808 66.2-166.2-130.5 86.1 13.2 12.9 56.8 57 66 A L + 0 0 77 -2,-0.4 5,-0.2 -3,-0.2 -17,-0.0 -0.649 25.2 169.7 -75.3 127.7 14.9 12.6 53.4 58 67 A E B > -G 61 0D 78 3,-2.1 3,-1.4 -2,-0.4 -2,-0.0 -0.948 48.0 -93.0-137.3 164.6 13.0 9.8 51.6 59 68 A P T 3 S+ 0 0 135 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.728 120.5 14.1 -47.7 -35.0 12.7 8.3 48.2 60 69 A D T 3 S+ 0 0 115 1,-0.2 2,-0.2 -27,-0.0 -26,-0.1 0.011 131.3 17.2-137.4 32.5 9.8 10.4 47.0 61 70 A N B < -G 58 0D 27 -3,-1.4 -3,-2.1 -28,-0.1 -28,-0.2 -0.908 57.2-132.5 174.9 167.0 9.6 13.3 49.5 62 71 A V - 0 0 8 -30,-1.6 -6,-1.6 -2,-0.2 -7,-0.3 0.534 30.0-142.9-114.8 -10.5 11.5 15.1 52.3 63 72 A G - 0 0 0 -31,-0.4 -8,-1.4 -8,-0.2 -7,-1.3 0.908 23.0-159.8 42.1 89.3 9.1 15.4 55.2 64 73 A V E -D 54 0A 0 -34,-3.2 2,-0.7 -10,-0.2 -34,-0.4 -0.780 16.9-131.5-101.3 141.3 9.9 18.9 56.6 65 74 A V E -D 53 0A 0 -12,-1.7 -12,-1.6 -2,-0.3 2,-0.3 -0.817 30.6-135.8 -93.5 119.4 9.0 20.1 60.2 66 75 A V E -D 52 0A 2 -38,-0.9 2,-0.6 -2,-0.7 -14,-0.2 -0.585 6.5-131.6 -80.1 130.2 7.4 23.5 59.7 67 76 A F S S+ 0 0 5 -16,-2.7 -16,-0.1 -2,-0.3 164,-0.1 -0.756 74.2 0.2 -83.3 121.5 8.4 26.3 62.0 68 77 A G S S- 0 0 19 -2,-0.6 161,-0.1 162,-0.1 -40,-0.1 0.561 106.4 -34.2 77.1 142.5 5.3 28.0 63.4 69 78 A N - 0 0 58 159,-0.2 3,-0.3 1,-0.1 4,-0.2 0.335 58.7-120.0 -26.8 147.2 1.6 27.3 62.9 70 79 A D S > S+ 0 0 26 1,-0.2 3,-2.7 2,-0.1 464,-0.1 0.864 70.7 108.9 -59.6 -70.3 0.2 26.1 59.5 71 80 A K T 3 S+ 0 0 106 1,-0.3 463,-0.6 462,-0.1 -1,-0.2 0.284 89.9 37.0 21.8 -69.6 -2.4 28.4 57.9 72 81 A L T 3 S+ 0 0 73 -3,-0.3 2,-0.5 461,-0.1 -1,-0.3 0.810 93.4 89.2 -74.5 -36.9 -0.2 29.6 55.0 73 82 A I < + 0 0 0 -3,-2.7 2,-0.4 -4,-0.2 461,-0.3 -0.537 63.8 168.1 -65.4 115.2 1.7 26.4 54.2 74 83 A K > - 0 0 43 -2,-0.5 3,-3.0 459,-0.1 -52,-0.1 -0.990 46.1 -73.6-145.9 141.6 -0.5 24.7 51.6 75 84 A E T 3 S+ 0 0 39 -2,-0.4 -52,-0.1 1,-0.3 456,-0.1 0.148 122.6 23.9 -27.0 87.3 -0.5 21.9 49.1 76 85 A G T 3 S+ 0 0 37 1,-0.3 -1,-0.3 -52,-0.2 3,-0.1 0.067 79.0 150.8 137.9 -21.5 1.7 23.2 46.3 77 86 A D < - 0 0 19 -3,-3.0 -55,-3.2 -56,-0.2 -1,-0.3 -0.064 51.2-117.1 -43.7 127.8 3.8 25.8 48.2 78 87 A I E -A 21 0A 29 -57,-0.2 2,-0.5 -46,-0.1 -57,-0.2 -0.526 29.0-148.5 -68.4 139.4 7.1 26.2 46.5 79 88 A V E -A 20 0A 0 -59,-1.9 -59,-1.6 -2,-0.2 2,-0.3 -0.962 9.3-157.2-119.7 130.9 10.0 25.2 48.7 80 89 A K E -AC 19 45A 29 -35,-3.2 -35,-3.1 -2,-0.5 2,-0.3 -0.832 16.7-114.7-108.1 151.6 13.4 26.7 48.5 81 90 A R - 0 0 46 -63,-1.0 2,-0.2 -2,-0.3 -37,-0.1 -0.595 21.6-179.8 -87.5 135.5 16.8 25.5 49.6 82 91 A T - 0 0 39 -39,-0.4 2,-1.5 -2,-0.3 -39,-0.2 -0.690 25.5-150.1-128.3 67.2 18.9 27.1 52.4 83 92 A G + 0 0 48 -2,-0.2 2,-0.2 -41,-0.1 -39,-0.1 -0.210 59.9 98.7 -44.8 79.9 21.9 24.8 52.2 84 93 A A S S- 0 0 35 -2,-1.5 -41,-1.0 -41,-0.1 3,-0.4 -0.620 73.0-118.5-171.0 107.2 23.0 25.1 55.9 85 94 A I B -F 42 0C 42 -43,-0.2 2,-0.2 1,-0.2 -43,-0.2 0.020 68.2 -53.3 -45.8 156.0 22.2 22.6 58.7 86 95 A V S S+ 0 0 3 -45,-0.7 34,-3.1 33,-0.1 35,-0.8 -0.080 81.0 159.4 -43.7 97.8 20.2 24.0 61.6 87 96 A D E -H 119 0E 44 -3,-0.4 32,-0.3 32,-0.3 153,-0.1 -0.830 18.0-170.3-120.8 157.8 22.2 27.1 62.6 88 97 A V E -H 118 0E 2 30,-2.3 30,-2.4 -2,-0.3 15,-0.2 -0.830 30.9 -79.8-143.5 172.2 21.2 30.2 64.5 89 98 A P E +H 117 0E 22 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.472 49.9 156.1 -76.1 154.1 22.6 33.7 65.4 90 99 A V E +H 116 0E 1 26,-1.1 26,-0.6 -2,-0.1 25,-0.3 -0.963 9.1 109.4-165.3 170.4 25.1 34.3 68.2 91 100 A G S S- 0 0 0 -2,-0.3 3,-0.4 153,-0.2 157,-0.1 -0.804 78.7 -67.9 139.7 178.9 27.8 36.7 69.4 92 101 A D S > S+ 0 0 59 -2,-0.2 3,-2.4 1,-0.2 -1,-0.1 0.838 119.3 75.9 -71.0 -29.9 28.3 39.3 72.2 93 102 A E T 3 S+ 0 0 83 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.831 81.6 65.0 -46.4 -45.1 25.6 41.4 70.6 94 103 A L T > S+ 0 0 2 -3,-0.4 3,-1.0 18,-0.1 -1,-0.3 0.450 78.8 118.4 -62.8 -0.4 22.8 39.2 71.9 95 104 A L T < S+ 0 0 35 -3,-2.4 126,-0.2 1,-0.2 124,-0.1 -0.491 74.0 20.3 -70.4 140.8 23.9 40.3 75.3 96 105 A G T 3 S+ 0 0 14 124,-2.2 -1,-0.2 1,-0.2 2,-0.2 0.759 109.7 108.1 73.2 27.2 21.2 42.2 77.2 97 106 A R E < -i 221 0F 22 -3,-1.0 125,-2.3 123,-1.0 2,-0.4 -0.746 58.0-144.6-134.2 176.7 18.4 40.8 75.1 98 107 A V E +i 222 0F 0 -2,-0.2 8,-2.0 123,-0.2 9,-1.2 -0.981 27.0 169.4-140.4 123.9 15.4 38.5 74.7 99 108 A V E -iJ 223 105F 1 123,-1.9 125,-2.7 -2,-0.4 6,-0.3 -0.804 38.0-106.3-129.5 170.6 14.7 36.7 71.4 100 109 A D - 0 0 35 4,-2.2 124,-1.6 -2,-0.3 -1,-0.3 0.784 60.4 -80.9 -64.7-110.8 12.3 34.0 70.3 101 110 A A S S+ 0 0 2 122,-0.2 136,-0.1 3,-0.1 135,-0.1 -0.499 117.2 52.8-165.8 75.2 14.2 30.7 69.6 102 111 A L S S- 0 0 30 135,-0.1 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36.1 20.3 93.7 369 378 A A S < S+ 0 0 1 -3,-1.3 2,-0.6 -220,-0.2 -1,-0.2 0.949 96.0 78.3 -66.4 -55.5 33.4 23.0 93.3 370 379 A Q S S- 0 0 22 -4,-0.4 5,-0.1 -221,-0.2 -219,-0.1 -0.476 85.7-133.9 -60.6 108.3 33.1 24.0 97.0 371 380 A T >> - 0 0 36 -2,-0.6 4,-2.5 1,-0.1 3,-0.8 -0.094 36.4 -82.3 -60.0 168.5 36.1 26.2 97.5 372 381 A R T 34 S+ 0 0 178 1,-0.3 4,-0.4 2,-0.2 108,-0.2 0.736 130.6 66.0 -43.8 -26.4 38.3 25.9 100.6 373 382 A A T >> S+ 0 0 2 2,-0.2 4,-1.4 1,-0.2 3,-1.1 0.987 109.0 31.8 -61.7 -61.4 35.6 27.9 102.3 374 383 A M T <4>S+ 0 0 3 -3,-0.8 5,-2.1 1,-0.3 -2,-0.2 0.867 114.2 60.6 -68.0 -34.5 32.9 25.3 102.0 375 384 A K T 3<5S+ 0 0 133 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.648 109.6 45.9 -66.8 -12.1 35.4 22.5 102.3 376 385 A Q T <45S+ 0 0 63 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.712 136.6 7.5 -96.5 -30.6 36.1 24.1 105.7 377 386 A V T >X5S+ 0 0 2 -4,-1.4 3,-1.6 -5,-0.1 4,-0.6 0.754 127.5 47.8-113.9 -66.8 32.5 24.5 106.6 378 387 A A H 3>5S+ 0 0 1 1,-0.3 4,-0.9 2,-0.2 -3,-0.2 0.659 85.4 93.6 -55.7 -19.3 30.0 22.8 104.3 379 388 A G H 34 S+ 0 0 70 -3,-1.6 4,-1.9 2,-0.1 -1,-0.2 0.846 103.6 79.4 -94.5 -44.6 29.8 18.4 107.2 381 390 A M H X S+ 0 0 2 -4,-0.6 4,-1.2 1,-0.2 -2,-0.1 0.768 95.6 36.7 -30.9 -68.3 26.5 20.1 106.3 382 391 A K H >X S+ 0 0 39 -4,-0.9 4,-1.3 1,-0.2 3,-0.5 0.937 121.5 41.8 -62.2 -52.1 25.0 17.9 103.5 383 392 A L H 3> S+ 0 0 125 -4,-0.3 4,-0.9 1,-0.2 5,-0.3 0.688 104.8 67.9 -70.8 -16.1 26.0 14.4 104.7 384 393 A E H 3X S+ 0 0 35 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.922 108.6 38.7 -64.7 -40.0 25.1 15.5 108.2 385 394 A L H < S+ 0 0 32 -4,-1.3 3,-1.6 1,-0.2 -2,-0.1 0.955 110.8 20.3 -47.4 -76.6 22.0 12.4 104.7 387 396 A Q H >X S+ 0 0 117 -4,-0.9 3,-3.2 1,-0.3 4,-0.6 0.826 112.4 78.3 -64.9 -30.2 21.7 9.7 107.4 388 397 A Y H 3X S+ 0 0 32 -4,-0.7 4,-3.0 -5,-0.3 5,-0.4 0.711 71.3 82.1 -50.8 -22.1 19.9 12.3 109.6 389 398 A R H << S+ 0 0 146 -3,-1.6 4,-0.5 -4,-0.9 -1,-0.3 0.777 95.3 47.1 -54.5 -26.4 16.9 11.6 107.4 390 399 A E H X4 S+ 0 0 63 -3,-3.2 3,-0.9 2,-0.2 -2,-0.2 0.971 113.9 40.2 -78.4 -66.5 16.5 8.7 109.9 391 400 A V H >X S+ 0 0 27 -4,-0.6 4,-3.0 1,-0.3 3,-0.9 0.769 114.5 54.8 -57.2 -28.0 17.0 10.3 113.3 392 401 A A T 3< S+ 0 0 40 -4,-3.0 4,-0.3 1,-0.2 -1,-0.3 0.827 114.8 40.7 -73.3 -31.4 14.9 13.3 112.1 393 402 A A T <4 S+ 0 0 53 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.078 122.9 43.2-100.6 20.5 12.2 10.8 111.3 394 403 A F T X4 S+ 0 0 105 -3,-0.9 3,-2.4 2,-0.0 -2,-0.2 0.599 92.1 72.2-130.3 -39.8 12.9 8.9 114.5 395 404 A A G >< S+ 0 0 49 -4,-3.0 3,-1.8 1,-0.3 -3,-0.1 0.766 83.0 77.6 -52.8 -27.4 13.4 11.4 117.3 396 405 A Q G 3 S+ 0 0 97 -4,-0.3 -1,-0.3 1,-0.3 -4,-0.1 0.566 109.2 26.9 -61.0 -9.3 9.6 12.0 117.1 397 406 A F G < S+ 0 0 104 -3,-2.4 -1,-0.3 2,-0.0 2,-0.3 -0.053 91.9 131.6-145.3 36.7 9.2 8.7 119.0 398 407 A G < + 0 0 49 -3,-1.8 -3,-0.0 1,-0.1 2,-0.0 -0.669 14.3 139.0 -95.5 149.2 12.4 8.3 121.0 399 408 A S + 0 0 105 -2,-0.3 2,-2.3 0, 0.0 -1,-0.1 -0.019 63.2 25.2-146.0-106.7 12.6 7.4 124.7 400 409 A D S S+ 0 0 172 -2,-0.0 2,-0.1 2,-0.0 -2,-0.0 -0.490 97.7 102.6 -75.7 78.1 14.9 5.0 126.6 401 410 A L S S- 0 0 129 -2,-2.3 2,-1.2 -3,-0.0 3,-0.1 -0.344 85.6 -25.2-131.6-148.8 17.8 5.2 124.1 402 411 A D > - 0 0 114 1,-0.2 3,-1.9 -2,-0.1 4,-0.4 -0.623 59.9-157.2 -75.4 97.1 21.1 7.0 123.8 403 412 A A G > S+ 0 0 93 -2,-1.2 3,-1.5 1,-0.3 -1,-0.2 0.899 88.3 42.3 -37.5 -69.9 20.5 10.0 126.1 404 413 A A G > S+ 0 0 72 1,-0.3 3,-2.3 2,-0.1 -1,-0.3 0.573 84.7 97.7 -61.4 -8.9 23.1 12.4 124.7 405 414 A T G X> + 0 0 54 -3,-1.9 3,-1.2 1,-0.3 4,-0.7 0.813 59.6 90.2 -51.1 -26.7 22.2 11.4 121.1 406 415 A Q H X> S+ 0 0 106 -3,-1.5 4,-2.6 -4,-0.4 3,-0.6 0.708 71.8 71.7 -41.1 -29.3 20.1 14.6 121.2 407 416 A Q H <> S+ 0 0 103 -3,-2.3 4,-1.9 1,-0.2 -1,-0.3 0.960 92.9 50.3 -56.0 -57.4 23.2 16.4 119.9 408 417 A L H <4 S+ 0 0 96 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.701 116.0 44.1 -56.8 -21.7 23.1 15.0 116.4 409 418 A L H XX S+ 0 0 31 -4,-0.7 3,-1.9 -3,-0.6 4,-1.3 0.815 107.8 58.0 -90.2 -37.1 19.4 15.9 116.1 410 419 A S H 3X S+ 0 0 17 -4,-2.6 4,-1.1 1,-0.3 5,-0.4 0.788 96.4 63.7 -63.7 -28.4 20.0 19.4 117.7 411 420 A R H 3< S+ 0 0 109 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.1 0.529 105.0 49.9 -74.8 -2.6 22.4 20.2 114.9 412 421 A G H <> S+ 0 0 0 -3,-1.9 4,-2.9 -5,-0.2 -2,-0.2 0.899 106.3 44.6 -97.7 -60.5 19.5 19.9 112.5 413 422 A V H X S+ 0 0 74 -4,-1.3 4,-1.1 2,-0.2 -2,-0.1 0.918 119.1 43.0 -51.6 -53.8 16.6 22.0 113.8 414 423 A R H < S+ 0 0 56 -4,-1.1 3,-0.5 1,-0.2 4,-0.3 0.947 115.6 48.7 -58.9 -51.3 18.7 25.0 114.7 415 424 A L H >> S+ 0 0 12 -5,-0.4 3,-2.4 1,-0.2 4,-2.1 0.884 99.4 71.1 -57.8 -39.0 20.7 24.7 111.5 416 425 A T H 3X S+ 0 0 47 -4,-2.9 4,-1.1 1,-0.3 -1,-0.2 0.875 89.4 57.7 -45.9 -53.1 17.5 24.5 109.5 417 426 A E H 3< S+ 0 0 53 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.570 114.0 40.3 -58.7 -11.5 16.4 28.1 110.0 418 427 A L H <4 S+ 0 0 3 -3,-2.4 -1,-0.2 -4,-0.3 -2,-0.2 0.718 108.6 58.2-104.1 -35.6 19.7 29.2 108.4 419 428 A L H < S+ 0 0 26 -4,-2.1 2,-1.4 1,-0.2 -2,-0.2 0.566 85.1 90.5 -71.9 -10.0 19.8 26.6 105.6 420 429 A K < - 0 0 32 -4,-1.1 -1,-0.2 -5,-0.2 2,-0.1 -0.580 63.0-174.1 -91.6 76.8 16.4 27.8 104.3 421 430 A Q + 0 0 14 -2,-1.4 2,-0.1 -69,-0.0 -280,-0.1 -0.382 15.7 150.7 -68.1 145.3 17.5 30.5 101.8 422 431 A G + 0 0 54 3,-0.2 2,-0.3 -2,-0.1 -2,-0.0 -0.382 20.0 89.0 178.4 99.6 14.7 32.5 100.3 423 432 A Q S S- 0 0 129 -2,-0.1 2,-0.1 -255,-0.0 -2,-0.0 -0.924 77.5 -91.8 179.2 164.3 14.6 36.1 98.9 424 433 A Y S S+ 0 0 62 -2,-0.3 0, 0.0 2,-0.0 0, 0.0 0.053 101.5 79.5 -80.4 30.9 15.2 38.2 95.8 425 434 A S - 0 0 34 -2,-0.1 2,-0.2 -285,-0.1 -3,-0.2 -0.984 69.5-139.6-147.8 129.3 18.8 38.6 96.9 426 435 A P - 0 0 23 0, 0.0 2,-0.7 0, 0.0 -285,-0.2 -0.583 16.4-134.8 -84.6 143.4 22.0 36.5 96.8 427 436 A M - 0 0 22 -287,-2.4 5,-0.2 -2,-0.2 -287,-0.2 -0.898 28.6-119.3-102.7 112.8 24.5 36.4 99.7 428 437 A A >> - 0 0 16 -2,-0.7 3,-2.2 1,-0.1 4,-1.8 -0.059 28.4-105.6 -47.6 148.8 28.1 36.7 98.5 429 438 A I H 3> S+ 0 0 25 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.783 121.0 54.9 -50.8 -35.0 30.4 33.7 99.3 430 439 A E H 34 S+ 0 0 32 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.699 108.9 49.9 -74.7 -15.5 32.3 35.6 102.0 431 440 A E H <> S+ 0 0 34 -3,-2.2 4,-1.8 2,-0.2 3,-0.3 0.806 105.5 54.5 -85.4 -35.9 28.9 36.3 103.6 432 441 A Q H X>S+ 0 0 0 -4,-1.8 5,-1.0 1,-0.3 4,-0.8 0.921 106.2 54.7 -60.0 -40.5 27.9 32.6 103.4 433 442 A V H <5S+ 0 0 5 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.744 106.4 54.3 -63.4 -27.4 31.2 32.2 105.2 434 443 A A H >5S+ 0 0 14 -3,-0.3 4,-1.0 -4,-0.3 -2,-0.2 0.995 120.2 19.2 -71.8 -67.7 29.9 34.6 107.9 435 444 A V H >X5S+ 0 0 1 -4,-1.8 4,-0.9 2,-0.2 3,-0.6 0.981 125.7 43.2 -72.0 -63.3 26.5 33.0 109.0 436 445 A I H >X5S+ 0 0 2 -4,-0.8 4,-1.4 -5,-0.3 3,-1.3 0.898 110.3 58.7 -54.0 -41.4 26.4 29.4 108.0 437 446 A Y H 3>S+ 0 0 0 -4,-1.0 5,-0.7 -3,-0.6 6,-0.4 0.818 104.1 51.4 -55.3 -32.8 29.0 29.9 112.6 439 448 A G H <<5S+ 0 0 9 -3,-1.3 -1,-0.2 -4,-0.9 -2,-0.2 0.961 102.8 52.5 -70.7 -55.2 26.6 27.0 112.7 440 449 A V H <5S+ 0 0 36 -4,-1.4 2,-1.5 1,-0.3 -1,-0.2 0.839 105.5 61.3 -50.9 -34.6 28.9 24.1 111.7 441 450 A R T <5S- 0 0 60 -4,-1.7 -1,-0.3 -5,-0.2 3,-0.2 -0.660 110.2-125.1 -93.4 74.3 31.1 25.4 114.5 442 451 A G T 5S+ 0 0 41 -2,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.089 71.9 118.7 -25.6 85.9 28.4 24.8 117.1 443 452 A Y S S+ 0 0 9 -6,-0.4 3,-1.8 -3,-0.2 -5,-0.1 0.986 93.0 101.4 -68.0 -61.5 24.5 29.4 118.1 445 454 A D T 3 S+ 0 0 51 1,-0.3 -1,-0.1 -6,-0.1 -6,-0.0 0.276 70.4 48.0 19.0-104.9 23.0 25.8 118.5 446 455 A K T 3 S+ 0 0 173 2,-0.1 -1,-0.3 -4,-0.0 -2,-0.1 0.615 86.7 104.0 -28.3 -40.3 21.4 25.4 122.0 447 456 A L S < S- 0 0 18 -3,-1.8 5,-0.1 1,-0.1 49,-0.0 -0.172 92.0 -94.3 -52.9 142.3 19.5 28.7 121.8 448 457 A E - 0 0 113 1,-0.1 3,-0.4 3,-0.0 -1,-0.1 -0.512 50.3-135.8 -62.8 118.4 15.8 28.3 121.1 449 458 A P S S+ 0 0 26 0, 0.0 2,-3.2 0, 0.0 -1,-0.1 0.684 75.3 80.3 -48.2-144.7 15.6 28.7 117.3 450 459 A S S > S+ 0 0 94 1,-0.2 3,-1.3 -36,-0.1 4,-0.4 -0.335 92.5 62.7 68.7 -64.1 13.0 30.8 115.3 451 460 A K T 3> S+ 0 0 31 -2,-3.2 4,-1.1 -3,-0.4 3,-0.5 0.528 78.2 92.7 -67.2 -3.6 14.9 34.0 116.0 452 461 A I H >> S+ 0 0 3 1,-0.3 4,-2.1 2,-0.2 3,-0.8 0.894 79.1 56.6 -56.6 -42.5 17.8 32.4 114.0 453 462 A T H <> S+ 0 0 59 -3,-1.3 4,-1.1 1,-0.3 -1,-0.3 0.872 98.6 61.1 -58.1 -35.2 16.4 34.0 110.8 454 463 A K H 3> S+ 0 0 107 -3,-0.5 4,-3.0 -4,-0.4 5,-0.3 0.876 107.1 47.3 -58.5 -36.0 16.8 37.3 112.7 455 464 A F H S+ 0 0 1 -4,-1.1 4,-3.1 -3,-0.8 5,-0.5 0.994 106.8 52.3 -68.1 -62.4 20.5 36.5 112.8 456 465 A E H <5S+ 0 0 14 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.620 120.6 38.0 -52.7 -12.4 21.0 35.5 109.2 457 466 A S H X5S+ 0 0 68 -4,-1.1 4,-1.0 -5,-0.2 3,-0.3 0.831 125.0 34.9-101.1 -54.4 19.4 38.8 108.3 458 467 A A H X5S+ 0 0 39 -4,-3.0 4,-3.5 -5,-0.2 3,-0.4 0.920 105.6 67.7 -67.5 -49.7 20.8 41.1 111.0 459 468 A F H X5S+ 0 0 9 -4,-3.1 4,-1.9 -5,-0.3 -1,-0.2 0.843 102.3 51.8 -38.3 -40.8 24.3 39.5 111.2 460 469 A L H >X S+ 0 0 20 -4,-1.9 4,-4.0 -5,-0.3 3,-1.7 0.996 114.2 40.1 -65.2 -71.5 28.8 42.8 109.5 464 473 A V H 3< S+ 0 0 87 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.663 117.2 54.5 -54.9 -15.2 28.8 45.7 107.0 465 474 A S H 3< S- 0 0 73 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.774 137.5 -7.8 -88.6 -30.1 28.1 48.0 110.0 466 475 A Q H << S+ 0 0 138 -3,-1.7 -2,-0.2 -4,-1.5 -3,-0.2 0.204 128.4 58.2-153.3 20.3 31.1 46.9 112.1 467 476 A H X + 0 0 34 -4,-4.0 4,-0.6 2,-0.1 -3,-0.1 -0.265 47.8 132.0-153.2 56.4 32.8 43.9 110.4 468 477 A Q H > S+ 0 0 116 -4,-0.1 4,-0.8 2,-0.1 -4,-0.1 0.638 72.1 63.1 -84.1 -13.9 34.0 44.8 106.9 469 478 A S H >> S+ 0 0 78 2,-0.2 4,-1.2 1,-0.1 3,-1.0 0.975 90.6 61.3 -72.7 -58.5 37.4 43.3 107.6 470 479 A L H >> S+ 0 0 29 1,-0.3 3,-1.1 2,-0.2 4,-0.7 0.836 104.4 48.7 -35.4 -56.6 36.5 39.6 108.2 471 480 A L H >X S+ 0 0 27 -4,-0.6 3,-1.4 1,-0.3 4,-0.9 0.883 105.5 59.8 -57.0 -39.3 35.0 39.2 104.7 472 481 A G H << S+ 0 0 21 -3,-1.0 4,-0.4 -4,-0.8 -1,-0.3 0.793 91.3 66.9 -60.2 -30.7 38.1 40.7 103.2 473 482 A N H XX>S+ 0 0 45 -4,-1.2 4,-2.6 -3,-1.1 5,-1.5 0.830 98.6 54.2 -59.7 -30.4 40.3 38.0 104.7 474 483 A I H <<5S+ 0 0 29 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.869 107.5 49.2 -69.4 -36.6 38.4 35.7 102.3 475 484 A R T 3<5S+ 0 0 174 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.433 121.1 37.2 -81.0 -2.7 39.5 38.1 99.5 476 485 A T T <45S+ 0 0 109 -3,-0.7 -2,-0.2 -4,-0.4 -3,-0.2 0.739 137.2 9.9-108.4 -67.4 43.1 37.9 100.9 477 486 A D T <5S- 0 0 120 -4,-2.6 -3,-0.2 2,-0.2 3,-0.1 0.934 90.9-133.8 -80.9 -52.5 43.8 34.3 102.1 478 487 A G S - 0 0 18 -2,-0.5 4,-2.3 -11,-0.1 5,-0.2 -0.369 11.6-128.4 -76.3 158.4 41.2 32.6 109.2 482 491 A E H > S+ 0 0 170 2,-0.2 4,-1.4 3,-0.2 -1,-0.1 0.890 118.5 43.2 -68.6 -39.3 42.4 31.4 112.6 483 492 A Q H > S+ 0 0 146 2,-0.2 4,-2.0 1,-0.2 3,-0.3 0.978 114.7 47.0 -68.3 -57.8 42.2 35.0 113.6 484 493 A S H > S+ 0 0 14 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.813 107.3 58.0 -56.1 -34.6 38.9 35.7 111.9 485 494 A D H X S+ 0 0 42 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.954 106.2 49.9 -60.9 -45.4 37.4 32.6 113.4 486 495 A A H X S+ 0 0 31 -4,-1.4 4,-2.5 -3,-0.3 -2,-0.2 0.934 114.5 44.8 -56.2 -47.0 38.3 34.1 116.8 487 496 A K H X S+ 0 0 108 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.938 113.9 45.5 -63.6 -54.8 36.6 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