==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ENDOCYTOSIS/EXOCYTOSIS 29-MAR-00 1EPU . COMPND 2 MOLECULE: S-SEC1; . SOURCE 2 ORGANISM_SCIENTIFIC: LOLIGO PEALEI; . AUTHOR A.BRACHER,A.PERRAKIS,T.DRESBACH,H.BETZ,W.WEISSENHORN . 546 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25938.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 403 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 2.7 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 . 2 0.4 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 . 39 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.2 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 3 2 0 1 3 3 4 1 1 0 0 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 0 1 1 3 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 . 4 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 A >> 0 0 56 0, 0.0 3,-4.5 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 3.5 18.2 72.3 36.0 2 3 A L H 3> + 0 0 1 136,-0.4 4,-1.5 1,-0.3 5,-0.2 0.544 360.0 63.0 -9.2 -41.1 16.6 71.4 32.6 3 4 A K H 3> S+ 0 0 21 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.848 105.8 44.3 -65.8 -33.1 13.6 73.6 33.4 4 5 A T H <> S+ 0 0 75 -3,-4.5 4,-3.3 2,-0.2 -2,-0.2 0.807 104.8 60.3 -81.5 -31.9 15.8 76.7 33.6 5 6 A A H X S+ 0 0 24 -4,-0.6 4,-1.4 2,-0.2 -2,-0.2 0.905 111.5 43.2 -60.4 -37.8 17.8 75.9 30.4 6 7 A V H X S+ 0 0 0 -4,-1.5 4,-2.7 -5,-0.2 3,-0.3 0.933 110.8 54.0 -69.8 -48.6 14.4 76.1 28.7 7 8 A H H X S+ 0 0 37 -4,-1.8 4,-2.6 1,-0.2 5,-0.3 0.905 107.7 52.7 -51.0 -44.7 13.4 79.2 30.7 8 9 A E H X>S+ 0 0 91 -4,-3.3 4,-1.7 1,-0.2 5,-0.6 0.857 110.2 46.2 -62.1 -38.4 16.6 80.8 29.4 9 10 A K H X5S+ 0 0 37 -4,-1.4 4,-1.5 -3,-0.3 5,-0.3 0.919 116.6 43.5 -71.9 -44.2 15.8 80.0 25.7 10 11 A I H X>S+ 0 0 2 -4,-2.7 5,-1.9 3,-0.2 4,-1.1 0.968 119.5 40.7 -64.8 -55.2 12.2 81.2 25.9 11 12 A X H <>S+ 0 0 13 -4,-2.6 5,-3.2 -5,-0.2 6,-0.3 0.893 128.8 26.5 -61.2 -48.0 12.9 84.4 27.9 12 13 A N H <5S+ 0 0 67 -4,-1.7 -3,-0.2 -5,-0.3 -2,-0.2 0.826 127.4 40.0 -89.1 -35.8 16.1 85.5 26.2 13 14 A D H <>4 - 0 0 8 42,-0.6 4,-2.8 -2,-0.2 5,-0.3 -0.818 42.9 -85.7-123.6 165.8 -0.3 76.1 19.7 31 32 A Q H > S+ 0 0 130 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.844 125.9 38.3 -33.7 -57.8 -1.4 73.3 22.0 32 33 A L H > S+ 0 0 48 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.946 114.3 49.9 -67.5 -52.6 2.1 71.8 22.3 33 34 A S H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.859 109.6 55.1 -56.9 -34.9 4.2 75.0 22.5 34 35 A X H X S+ 0 0 48 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.948 107.6 47.5 -63.3 -48.4 1.9 76.3 25.2 35 36 A R H X S+ 0 0 109 -4,-1.6 4,-1.7 -5,-0.3 -2,-0.2 0.930 112.9 51.1 -57.3 -43.2 2.4 73.2 27.3 36 37 A X H X S+ 0 0 3 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.901 112.6 44.3 -61.1 -43.3 6.1 73.6 26.7 37 38 A V H X S+ 0 0 2 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.843 108.1 59.0 -71.6 -34.3 6.1 77.3 27.8 38 39 A S H < S+ 0 0 46 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.926 99.8 56.4 -60.3 -48.9 3.9 76.7 30.8 39 40 A A H < S+ 0 0 12 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.890 120.6 26.0 -51.7 -49.1 6.3 74.2 32.5 40 41 A C H < S+ 0 0 13 -4,-1.0 2,-0.4 1,-0.1 -1,-0.2 0.648 119.4 57.7 -94.7 -16.2 9.3 76.5 32.5 41 42 A C < - 0 0 1 -4,-2.0 2,-0.5 -5,-0.1 -1,-0.1 -0.960 66.1-143.4-126.1 132.8 7.6 79.9 32.6 42 43 A K >> - 0 0 93 -2,-0.4 3,-2.9 1,-0.1 4,-0.6 -0.754 31.2-121.5 -87.2 129.2 5.1 81.5 34.9 43 44 A X H >> S+ 0 0 82 -2,-0.5 4,-2.1 1,-0.3 3,-0.6 0.752 107.9 62.0 -40.7 -41.8 2.7 83.6 33.0 44 45 A H H 3> S+ 0 0 134 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.676 97.3 63.5 -65.0 -13.0 3.4 86.9 34.8 45 46 A E H <4 S+ 0 0 53 -3,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.891 108.1 36.7 -76.0 -42.9 7.0 86.6 33.5 46 47 A I H X<>S+ 0 0 2 -4,-0.6 3,-2.0 -3,-0.6 5,-1.3 0.928 115.7 55.3 -73.0 -48.1 6.2 86.8 29.8 47 48 A X H ><5S+ 0 0 85 -4,-2.1 3,-0.7 1,-0.3 -2,-0.2 0.771 102.5 57.2 -56.7 -30.6 3.4 89.4 30.4 48 49 A S T 3<5S+ 0 0 72 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.528 101.0 60.1 -80.8 -5.2 5.8 91.7 32.2 49 50 A E T < 5S- 0 0 63 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.1 -0.034 131.4 -70.4-113.8 31.3 8.1 91.9 29.2 50 51 A G T < 5S+ 0 0 15 -3,-0.7 -25,-2.1 1,-0.3 2,-0.6 0.169 94.8 121.5 107.7 -21.9 5.9 93.3 26.5 51 52 A I E < +a 25 0A 4 -5,-1.3 -1,-0.3 -27,-0.2 -25,-0.2 -0.689 29.9 173.4 -79.9 120.2 3.5 90.4 25.8 52 53 A T E + 0 0 63 -27,-3.4 2,-0.3 -2,-0.6 -26,-0.2 0.652 60.9 19.8-101.5 -16.7 -0.0 91.7 26.5 53 54 A L E -a 26 0A 61 -28,-0.9 -26,-3.1 2,-0.0 2,-0.5 -0.997 57.1-147.8-153.9 150.0 -2.1 88.7 25.3 54 55 A V E +a 27 0A 43 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.960 23.4 178.5-125.9 115.4 -1.8 84.9 24.6 55 56 A E E -a 28 0A 34 -28,-1.9 -26,-2.4 -2,-0.5 2,-0.6 -0.830 32.3-118.7-117.3 153.0 -3.9 83.3 21.9 56 57 A D E -a 29 0A 36 -2,-0.3 -26,-0.2 3,-0.2 -28,-0.1 -0.785 23.1-140.3 -87.3 125.5 -4.2 79.8 20.5 57 58 A I S S+ 0 0 0 -28,-3.2 -1,-0.1 -2,-0.6 3,-0.1 0.804 95.1 57.4 -56.9 -30.1 -3.2 80.0 16.8 58 59 A N S S+ 0 0 49 -29,-0.3 2,-1.9 1,-0.2 -1,-0.2 0.985 94.8 58.2 -67.6 -62.7 -6.0 77.5 15.9 59 60 A R S S- 0 0 209 1,-0.1 -3,-0.2 0, 0.0 -1,-0.2 -0.500 97.0-128.3 -74.2 83.6 -9.1 79.2 17.2 60 61 A R - 0 0 104 -2,-1.9 2,-0.3 -3,-0.1 -2,-0.1 0.293 32.0-166.5 -28.4 153.4 -8.9 82.5 15.2 61 62 A R - 0 0 20 -4,-0.1 -1,-0.1 1,-0.1 -6,-0.0 -0.849 29.6 -51.7-143.7 176.6 -9.2 85.8 17.1 62 63 A E - 0 0 119 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.239 60.7-112.8 -55.0 131.6 -9.7 89.5 16.9 63 64 A P - 0 0 66 0, 0.0 32,-0.2 0, 0.0 31,-0.1 -0.451 26.7-170.4 -69.3 137.0 -7.3 91.3 14.5 64 65 A L E > + c 0 95A 51 30,-3.6 3,-2.3 -2,-0.2 32,-0.6 -0.524 12.1 170.1-129.9 65.2 -4.7 93.6 16.1 65 66 A P E 3 S+ 0 0 67 0, 0.0 30,-0.2 0, 0.0 -1,-0.1 0.578 75.5 60.0 -50.3 -15.8 -3.1 95.4 13.1 66 67 A L E 3 S+ 0 0 135 29,-0.1 2,-0.3 -3,-0.1 29,-0.1 0.702 97.8 62.4 -91.5 -20.5 -1.3 97.7 15.5 67 68 A L E < S- 0 0 29 -3,-2.3 29,-1.8 -44,-0.0 30,-0.5 -0.811 78.5-124.5-109.0 148.0 0.7 95.1 17.4 68 69 A E E -bc 25 97A 37 -44,-0.6 -42,-1.7 -2,-0.3 2,-0.4 -0.511 29.2-133.5 -81.1 157.4 3.4 92.8 16.2 69 70 A A E -bc 26 98A 0 28,-2.9 30,-3.2 -44,-0.2 2,-0.7 -0.919 6.3-149.0-118.8 141.0 2.8 89.1 16.9 70 71 A V E -bc 27 99A 1 -44,-3.1 -42,-3.1 -2,-0.4 2,-0.8 -0.921 14.5-160.7-106.1 111.2 5.2 86.6 18.3 71 72 A Y E +bc 28 100A 0 28,-3.9 30,-3.7 -2,-0.7 2,-0.8 -0.832 14.0 175.5 -95.9 109.7 4.5 83.1 16.9 72 73 A L E +bc 29 101A 2 -44,-2.7 -42,-0.6 -2,-0.8 2,-0.3 -0.886 33.6 133.1-110.7 94.6 6.0 80.4 19.0 73 74 A I E - c 0 102A 1 28,-1.8 30,-3.1 -2,-0.8 31,-0.3 -0.895 62.0 -92.7-142.8 173.9 4.7 77.3 17.4 74 75 A T - 0 0 14 -2,-0.3 2,-3.7 28,-0.2 6,-0.3 -0.735 44.7-118.5 -84.7 126.6 5.3 73.8 16.0 75 76 A P + 0 0 9 0, 0.0 2,-0.2 0, 0.0 35,-0.1 -0.288 64.3 150.5 -66.4 65.5 6.0 73.9 12.3 76 77 A T > - 0 0 53 -2,-3.7 4,-2.3 1,-0.1 5,-0.3 -0.567 63.7-111.9-100.0 162.6 2.9 71.8 11.6 77 78 A E H > S+ 0 0 89 -2,-0.2 4,-1.3 2,-0.2 5,-0.1 0.965 118.3 44.2 -54.0 -55.6 0.6 71.7 8.6 78 79 A E H >> S+ 0 0 123 2,-0.2 3,-2.0 1,-0.2 4,-1.9 0.976 115.5 42.9 -49.7 -79.6 -2.2 73.2 10.8 79 80 A S H 3> S+ 0 0 3 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.850 112.9 52.3 -35.8 -58.7 -0.3 76.0 12.6 80 81 A V H 3X S+ 0 0 0 -4,-2.3 4,-2.3 -6,-0.3 -1,-0.3 0.778 108.8 52.3 -56.8 -27.8 1.6 77.1 9.5 81 82 A K H X S+ 0 0 1 -4,-2.8 4,-1.4 -5,-0.3 3,-1.3 0.994 110.7 41.3 -56.9 -69.2 -0.0 81.6 10.2 84 85 A X H 3< S+ 0 0 20 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.717 113.3 60.6 -51.8 -20.2 -0.2 82.3 6.5 85 86 A A H >< S+ 0 0 19 -4,-1.7 3,-1.6 2,-0.2 -1,-0.3 0.873 97.3 54.0 -76.3 -40.5 -3.9 82.8 7.2 86 87 A D H << S+ 0 0 0 -4,-2.2 8,-2.6 -3,-1.3 9,-0.2 0.842 124.6 28.4 -63.0 -32.5 -3.4 85.7 9.6 87 88 A F T 3< S+ 0 0 0 -4,-1.4 -1,-0.3 6,-0.2 -2,-0.2 -0.214 84.3 127.9-118.5 37.5 -1.4 87.4 6.9 88 89 A Q S < S+ 0 0 125 -3,-1.6 -1,-0.1 1,-0.3 -2,-0.1 0.530 82.4 4.7 -70.9 -7.0 -3.3 85.7 4.1 89 90 A N S > S- 0 0 64 -3,-0.2 3,-1.0 -4,-0.1 -1,-0.3 -0.705 83.2-103.3 178.4 124.6 -3.9 89.1 2.5 90 91 A P T 3 S+ 0 0 65 0, 0.0 29,-0.0 0, 0.0 -3,-0.0 0.057 101.3 35.5 -49.2 158.5 -2.8 92.8 3.2 91 92 A D T 3 S+ 0 0 175 1,-0.1 0, 0.0 -26,-0.0 0, 0.0 0.395 115.6 62.4 72.1 -2.4 -5.2 95.3 4.8 92 93 A N S < S+ 0 0 67 -3,-1.0 -4,-0.1 3,-0.1 -1,-0.1 0.308 70.5 158.9-123.9 -3.1 -6.5 92.4 6.9 93 94 A P - 0 0 18 0, 0.0 -6,-0.2 0, 0.0 -7,-0.1 0.124 41.2-145.0 -25.7 115.1 -3.1 91.8 8.6 94 95 A Q S S+ 0 0 4 -8,-2.6 -30,-3.6 -31,-0.1 2,-0.3 0.913 87.9 0.6 -55.0 -33.3 -4.2 89.9 11.7 95 96 A Y E S-c 64 0A 1 -9,-0.2 -27,-0.2 -32,-0.2 -1,-0.1 -0.866 77.8-109.9-144.1 173.1 -1.2 91.9 13.0 96 97 A R E S+ 0 0 130 -29,-1.8 2,-0.3 -32,-0.6 -28,-0.2 0.708 94.8 2.5 -84.5 -21.2 1.4 94.4 11.8 97 98 A G E -c 68 0A 0 -30,-0.5 -28,-2.9 2,-0.0 2,-0.5 -0.986 65.4-134.1-159.4 159.6 4.4 92.2 11.9 98 99 A A E -cd 69 123A 0 24,-3.0 26,-2.6 -2,-0.3 27,-1.2 -0.970 8.6-170.1-131.7 125.0 5.3 88.6 12.7 99 100 A H E -cd 70 125A 10 -30,-3.2 -28,-3.9 -2,-0.5 2,-0.5 -0.953 23.8-161.9-107.3 112.7 8.2 87.2 14.7 100 101 A I E +cd 71 126A 0 25,-3.1 27,-2.1 -2,-0.7 2,-0.5 -0.874 15.9 179.3-106.7 126.6 8.1 83.5 14.1 101 102 A F E -cd 72 127A 0 -30,-3.7 -28,-1.8 -2,-0.5 2,-0.4 -0.946 17.1-150.1-127.0 108.7 9.8 80.9 16.3 102 103 A F E -cd 73 128A 2 25,-2.7 27,-1.8 -2,-0.5 28,-1.0 -0.660 10.1-144.1 -83.1 129.4 9.5 77.3 15.2 103 104 A T S S- 0 0 2 -30,-3.1 28,-3.2 -2,-0.4 2,-0.3 0.784 82.9 -2.1 -59.6 -29.6 9.6 74.8 18.1 104 105 A E S S- 0 0 9 -31,-0.3 25,-0.1 26,-0.2 -1,-0.1 -0.946 105.9 -45.7-154.5 171.0 11.5 72.4 15.8 105 106 A A - 0 0 48 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.045 58.6-128.6 -42.3 137.2 12.9 72.0 12.3 106 107 A C - 0 0 15 -4,-0.1 -1,-0.1 -32,-0.1 -30,-0.1 -0.817 21.3-111.4 -98.2 128.0 10.3 73.1 9.7 107 108 A P >> - 0 0 56 0, 0.0 4,-2.7 0, 0.0 3,-0.7 -0.344 22.3-132.0 -55.3 129.6 9.6 70.7 6.8 108 109 A E H 3> S+ 0 0 170 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.752 105.6 69.0 -56.9 -21.9 11.0 72.4 3.7 109 110 A E H 3> S+ 0 0 120 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.968 109.5 31.5 -59.3 -53.5 7.6 71.6 2.1 110 111 A L H <> S+ 0 0 4 -3,-0.7 4,-2.6 2,-0.2 5,-0.3 0.853 113.8 63.3 -72.6 -36.6 5.9 74.2 4.4 111 112 A F H X S+ 0 0 83 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.935 106.5 43.6 -54.4 -49.7 9.0 76.4 4.5 112 113 A K H X S+ 0 0 98 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.933 111.9 54.6 -61.0 -47.6 8.8 77.0 0.7 113 114 A E H >X S+ 0 0 100 -4,-1.5 3,-1.8 -5,-0.3 4,-0.6 0.969 113.0 41.2 -47.5 -67.6 5.0 77.5 0.9 114 115 A L H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.3 5,-0.4 0.873 105.9 63.0 -48.1 -52.2 5.3 80.2 3.6 115 116 A C H 3< S+ 0 0 36 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.601 111.1 39.1 -55.8 -12.7 8.3 82.0 2.0 116 117 A K H << S+ 0 0 163 -3,-1.8 -1,-0.3 -4,-0.7 -2,-0.2 0.420 95.9 102.0-116.0 -2.6 6.2 82.8 -1.1 117 118 A S S X< S- 0 0 30 -3,-2.0 3,-1.6 -4,-0.6 4,-0.2 -0.205 94.4-100.6 -72.4 170.3 3.0 83.6 0.7 118 119 A T T 3 S+ 0 0 49 1,-0.3 4,-0.1 -34,-0.2 -1,-0.1 0.303 117.9 77.8 -75.6 12.7 1.9 87.2 1.2 119 120 A T T >> S+ 0 0 0 -5,-0.4 3,-1.0 1,-0.1 4,-0.7 0.624 70.1 80.4 -93.9 -17.9 3.2 86.5 4.7 120 121 A A G X4 S+ 0 0 41 -3,-1.6 3,-0.6 -6,-0.4 -1,-0.1 0.842 87.5 55.2 -58.8 -38.0 6.9 86.9 3.7 121 122 A R G 34 S+ 0 0 143 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.696 107.0 50.4 -72.1 -18.4 6.8 90.7 3.8 122 123 A F G <4 S+ 0 0 31 -3,-1.0 -24,-3.0 -4,-0.1 2,-0.6 0.577 81.2 110.0 -95.5 -10.0 5.5 90.8 7.4 123 124 A I E << +d 98 0A 38 -4,-0.7 -24,-0.2 -3,-0.6 3,-0.1 -0.552 31.3 165.3 -71.9 113.2 8.2 88.4 8.8 124 125 A K E S+ 0 0 105 -26,-2.6 2,-0.3 -2,-0.6 -25,-0.2 0.515 70.9 23.9-104.2 -10.2 10.5 90.4 11.1 125 126 A T E +d 99 0A 27 -27,-1.2 -25,-3.1 2,-0.0 2,-0.3 -0.952 60.5 178.7-156.2 134.1 12.1 87.4 12.8 126 127 A L E +d 100 0A 66 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.884 23.1 140.0-144.4 108.8 12.4 83.8 11.6 127 128 A K E -d 101 0A 105 -27,-2.1 -25,-2.7 -2,-0.3 2,-0.5 -0.870 46.6-128.6-142.6 172.7 14.2 81.2 13.7 128 129 A E E -d 102 0A 90 -2,-0.3 -25,-0.2 -27,-0.2 -23,-0.1 -0.976 19.0-177.5-126.4 109.4 14.2 77.6 15.0 129 130 A I - 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0 0 54 -3,-1.8 3,-1.7 3,-0.1 -1,-0.2 -0.302 54.5-171.7 178.4 89.9 27.8 73.9 16.5 213 214 A P T 3 S+ 0 0 97 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.521 86.4 67.5 -64.7 -7.7 31.3 72.6 17.6 214 215 A T T > + 0 0 80 3,-0.1 3,-1.7 -5,-0.1 2,-0.7 0.536 69.7 111.3 -90.5 -7.6 30.8 73.8 21.2 215 216 A X T < S+ 0 0 10 -3,-1.7 -34,-0.2 1,-0.3 -35,-0.1 -0.561 90.3 14.5 -69.1 111.8 28.0 71.3 21.8 216 217 A G T 3 S- 0 0 14 -36,-1.3 -1,-0.3 -2,-0.7 -35,-0.1 0.755 89.3-168.1 92.7 28.3 29.5 69.0 24.3 217 218 A E <> - 0 0 101 -3,-1.7 4,-0.7 -37,-0.3 -1,-0.1 -0.216 38.9 -95.2 -52.1 136.3 32.4 71.2 25.2 218 219 A G H > S+ 0 0 38 3,-0.2 2,-1.6 2,-0.1 4,-1.0 0.554 87.4 118.0 -22.4 -44.4 35.1 69.4 27.3 219 220 A P H 4 S- 0 0 70 0, 0.0 275,-0.7 0, 0.0 -1,-0.1 -0.018 112.5 -63.9 -36.7 71.3 33.8 70.4 30.8 220 221 A Q H >4 S+ 0 0 81 -2,-1.6 3,-2.1 1,-0.2 4,-0.4 0.293 120.4 110.4 61.1 -15.0 33.1 66.9 31.9 221 222 A K H 3< + 0 0 55 -4,-0.7 -39,-0.4 1,-0.3 3,-0.3 0.625 62.1 71.2 -63.8 -11.4 30.5 67.0 29.1 222 223 A D T 3< S+ 0 0 113 -4,-1.0 -1,-0.3 1,-0.2 -4,-0.1 0.426 95.1 52.7 -84.9 1.8 32.7 64.5 27.3 223 224 A R S < S+ 0 0 78 -3,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.527 81.1 121.6-108.5 -14.0 31.7 61.8 29.8 224 225 A S - 0 0 1 -4,-0.4 -40,-2.4 -3,-0.3 2,-0.3 -0.185 44.5-163.2 -53.5 139.0 27.9 62.3 29.4 225 226 A Q E -gi 184 497B 9 271,-1.9 273,-3.1 -42,-0.3 2,-0.5 -0.959 15.2-154.1-129.5 145.6 26.0 59.3 28.2 226 227 A L E -gi 185 498B 0 -42,-2.2 -40,-2.4 -2,-0.3 2,-0.5 -0.959 18.0-159.6-121.1 107.8 22.6 58.9 26.7 227 228 A L E -gi 186 499B 1 271,-2.5 273,-2.7 -2,-0.5 2,-0.7 -0.794 4.6-151.0 -95.2 125.2 21.1 55.4 27.4 228 229 A I E +gi 187 500B 0 -42,-2.7 -40,-2.0 -2,-0.5 2,-0.3 -0.824 21.4 178.5 -97.2 113.3 18.3 54.1 25.3 229 230 A L E - i 0 501B 0 271,-3.2 273,-2.3 -2,-0.7 2,-0.4 -0.759 20.4-140.3-111.9 159.7 16.0 51.7 27.1 230 231 A D E > - i 0 502B 0 -2,-0.3 3,-2.7 271,-0.2 4,-0.2 -0.920 29.1-113.4-115.5 145.8 12.9 49.8 26.0 231 232 A R G > S+ 0 0 3 271,-1.7 3,-1.6 -2,-0.4 272,-0.1 0.793 111.9 67.1 -46.7 -37.1 9.8 49.4 28.3 232 233 A G G 3 S+ 0 0 4 1,-0.3 -1,-0.3 194,-0.2 194,-0.1 0.498 75.0 88.2 -66.5 -0.7 10.4 45.7 28.5 233 234 A F G < S+ 0 0 0 -3,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.756 111.3 7.0 -69.1 -20.5 13.6 46.2 30.5 234 235 A D < + 0 0 0 -3,-1.6 -1,-0.3 -4,-0.2 232,-0.1 -0.601 64.3 166.7-161.9 91.1 11.5 46.3 33.6 235 236 A P S S+ 0 0 1 0, 0.0 4,-0.4 0, 0.0 -3,-0.1 0.579 73.5 67.5 -85.2 -8.5 7.8 45.4 33.4 236 237 A I S >> S+ 0 0 2 2,-0.1 3,-1.7 1,-0.1 4,-1.2 0.980 92.8 54.4 -72.9 -56.4 7.4 45.1 37.2 237 238 A S G >4 S+ 0 0 2 1,-0.3 3,-0.5 2,-0.2 271,-0.1 0.840 105.7 49.6 -48.1 -48.2 7.9 48.7 38.3 238 239 A P G 34 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 301,-0.2 0.713 110.9 52.9 -71.8 -10.9 5.3 50.3 36.1 239 240 A L G <4 S+ 0 0 0 -3,-1.7 -2,-0.2 -4,-0.4 -3,-0.1 0.708 89.7 102.6 -90.2 -22.6 2.8 47.8 37.3 240 241 A L S << S- 0 0 4 -4,-1.2 2,-1.0 -3,-0.5 106,-0.1 -0.290 75.8-122.4 -71.0 142.4 3.3 48.2 41.0 241 242 A H - 0 0 5 104,-0.1 2,-0.2 101,-0.1 7,-0.1 -0.745 40.6-160.9 -79.2 106.9 1.1 50.2 43.5 242 243 A E - 0 0 18 -2,-1.0 9,-0.1 5,-0.2 218,-0.1 -0.625 14.7-154.6 -91.5 148.7 3.8 52.6 44.7 243 244 A L + 0 0 6 -2,-0.2 39,-2.8 216,-0.1 40,-0.3 0.230 54.9 111.5-114.0 16.3 3.4 54.4 48.0 244 245 A T B > S-K 281 0C 15 37,-0.3 4,-2.8 38,-0.1 5,-0.3 -0.669 81.8-105.0 -84.4 149.6 5.5 57.6 47.7 245 246 A F H > S+ 0 0 0 35,-4.3 4,-2.6 32,-0.3 34,-0.2 0.875 112.5 35.8 -41.4 -70.1 3.3 60.6 47.5 246 247 A Q H > S+ 0 0 1 32,-3.2 4,-2.0 31,-0.2 5,-0.3 0.949 118.9 49.0 -53.0 -56.9 3.4 61.6 43.8 247 248 A A H > S+ 0 0 7 31,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.862 114.8 46.3 -53.5 -40.1 3.5 58.0 42.4 248 249 A X H X S+ 0 0 1 -4,-2.8 4,-2.7 2,-0.2 5,-0.4 0.923 109.1 53.4 -70.7 -45.2 0.6 56.9 44.6 249 250 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 -5,-0.3 6,-0.2 0.947 109.0 46.7 -57.3 -52.9 -1.6 59.9 43.9 250 251 A Y H < S+ 0 0 20 -4,-2.0 5,-0.3 1,-0.2 -1,-0.2 0.795 116.9 46.6 -61.2 -26.6 -1.5 59.6 40.1 251 252 A D H < S+ 0 0 15 -4,-0.9 -1,-0.2 -5,-0.3 -2,-0.2 0.858 122.5 31.1 -83.1 -38.4 -2.2 55.9 40.4 252 253 A L H < S+ 0 0 21 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.807 115.3 56.7 -92.4 -30.1 -5.1 56.0 42.9 253 254 A L S < S- 0 0 15 -4,-3.1 2,-1.7 -5,-0.4 77,-0.0 -0.638 84.9-110.6-107.1 159.8 -6.7 59.3 42.1 254 255 A P + 0 0 108 0, 0.0 2,-0.9 0, 0.0 7,-0.3 -0.558 49.9 161.0 -86.1 73.4 -8.2 60.9 38.9 255 256 A I - 0 0 19 -2,-1.7 3,-0.4 -5,-0.3 2,-0.3 -0.850 17.7-171.0 -97.1 103.0 -5.6 63.5 38.3 256 257 A E B > -L 259 0D 140 3,-0.9 3,-2.9 -2,-0.9 -6,-0.0 -0.766 69.4 -6.6 -98.0 141.7 -6.0 64.6 34.7 257 258 A N T 3 S- 0 0 146 -2,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.812 130.0 -63.0 43.0 34.1 -3.4 66.8 33.0 258 259 A D T 3 S+ 0 0 31 -3,-0.4 9,-2.5 1,-0.2 2,-0.6 0.693 102.9 133.6 67.2 25.1 -1.9 67.1 36.5 259 260 A V E < -LM 256 266D 38 -3,-2.9 -3,-0.9 7,-0.2 2,-0.8 -0.925 37.5-166.3-111.3 120.1 -5.0 68.8 38.1 260 261 A Y E - M 0 265D 14 5,-3.7 5,-1.8 -2,-0.6 2,-0.4 -0.880 15.2-156.9-102.7 103.1 -6.3 67.4 41.4 261 262 A K 0 0 122 -2,-0.8 -2,-0.0 -7,-0.3 5,-0.0 -0.676 360.0 360.0 -88.7 133.1 -9.7 68.9 42.0 262 263 A Y 0 0 189 -2,-0.4 -1,-0.1 0, 0.0 -2,-0.1 -0.035 360.0 360.0 40.1 360.0 -11.1 69.2 45.5 263 ! 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 0.0 264 275 A E 0 0 142 0, 0.0 2,-0.3 0, 0.0 -3,-0.3 0.000 360.0 360.0 360.0 155.7 -8.9 72.2 42.3 265 276 A V E -M 260 0D 38 -5,-1.8 -5,-3.7 61,-0.1 2,-0.5 -0.994 360.0-131.0-147.1 151.9 -5.1 72.4 42.0 266 277 A L E -M 259 0D 77 -2,-0.3 2,-0.8 -7,-0.3 -7,-0.2 -0.869 20.6-141.5-101.4 129.6 -2.3 71.7 39.5 267 278 A L + 0 0 5 -9,-2.5 2,-0.3 -2,-0.5 -2,-0.0 -0.835 45.9 136.7 -93.6 108.2 0.7 69.7 40.9 268 279 A D > - 0 0 29 -2,-0.8 3,-1.1 -131,-0.0 6,-0.2 -0.870 68.5-103.4-142.1 173.3 3.8 71.2 39.4 269 280 A E G > S+ 0 0 30 -133,-0.3 3,-1.4 -2,-0.3 6,-0.1 0.655 113.1 75.3 -75.7 -14.1 7.3 72.2 40.5 270 281 A K G 3 S+ 0 0 81 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.348 83.3 70.9 -77.3 8.5 6.2 75.8 40.5 271 282 A D G < S- 0 0 35 -3,-1.1 2,-2.8 1,-0.1 -1,-0.3 0.604 79.0-164.6 -96.5 -17.4 4.4 74.8 43.7 272 283 A D S < S+ 0 0 114 -3,-1.4 4,-0.2 1,-0.2 -2,-0.1 0.150 80.9 64.8 55.6 -26.1 7.7 74.5 45.6 273 284 A L S >> S+ 0 0 32 -2,-2.8 3,-2.3 2,-0.2 4,-1.4 0.915 97.0 49.5 -86.8 -51.6 5.8 72.6 48.3 274 285 A W H 3> S+ 0 0 3 1,-0.3 4,-3.1 -6,-0.2 5,-0.1 0.813 103.0 65.8 -56.3 -29.7 4.9 69.5 46.2 275 286 A V H 34 S+ 0 0 53 1,-0.2 -1,-0.3 -7,-0.2 4,-0.2 0.759 106.4 41.2 -64.8 -23.6 8.6 69.5 45.2 276 287 A E H <4 S+ 0 0 98 -3,-2.3 -1,-0.2 -4,-0.2 -2,-0.2 0.694 124.3 35.3 -96.6 -22.0 9.3 68.7 48.9 277 288 A X H >< S+ 0 0 12 -4,-1.4 3,-1.1 2,-0.1 -32,-0.3 0.618 91.6 92.9-103.9 -17.8 6.5 66.2 49.4 278 289 A R T 3< S+ 0 0 7 -4,-3.1 -32,-3.2 1,-0.3 -31,-0.4 0.811 97.6 30.4 -45.0 -45.2 6.4 64.6 45.9 279 290 A H T 3 S+ 0 0 45 -4,-0.2 -1,-0.3 -34,-0.2 -2,-0.1 0.485 93.4 117.6 -98.3 -3.8 8.8 61.7 46.8 280 291 A Q S < S- 0 0 38 -3,-1.1 -35,-4.3 -36,-0.2 2,-0.2 -0.323 73.4-107.6 -65.7 144.9 7.9 61.4 50.4 281 292 A H B >> -K 244 0C 29 -37,-0.3 3,-2.8 1,-0.1 4,-0.6 -0.544 24.2-124.5 -72.1 136.0 6.3 58.1 51.6 282 293 A I H 3> S+ 0 0 14 -39,-2.8 4,-0.5 1,-0.3 3,-0.5 0.750 107.4 73.2 -53.1 -24.3 2.6 58.5 52.3 283 294 A A H 34 S+ 0 0 48 -40,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.704 110.9 26.8 -65.0 -17.4 3.3 57.1 55.8 284 295 A V H <> S+ 0 0 27 -3,-2.8 4,-2.5 2,-0.1 -1,-0.2 0.346 90.5 95.5-129.3 7.9 5.0 60.4 56.7 285 296 A V H X S+ 0 0 2 -4,-0.6 4,-1.6 -3,-0.5 -2,-0.1 0.982 96.3 37.0 -63.3 -55.9 3.4 63.2 54.5 286 297 A S H X S+ 0 0 74 -4,-0.5 4,-1.0 2,-0.2 5,-0.2 0.917 116.9 54.3 -61.2 -45.3 0.9 64.3 57.1 287 298 A Q H >> S+ 0 0 89 1,-0.2 4,-1.9 2,-0.2 3,-1.2 0.953 110.3 44.7 -53.4 -55.8 3.4 63.7 60.0 288 299 A N H 3X S+ 0 0 53 -4,-2.5 4,-1.2 1,-0.3 5,-0.3 0.776 99.6 70.3 -62.3 -28.6 6.1 65.9 58.4 289 300 A V H 3X S+ 0 0 11 -4,-1.6 4,-1.1 1,-0.2 -1,-0.3 0.847 111.6 32.9 -58.5 -32.3 3.5 68.6 57.6 290 301 A T H S+ 0 0 97 -5,-0.4 4,-1.0 1,-0.2 -2,-0.2 0.702 110.7 43.4 -68.6 -20.4 8.9 74.2 63.5 296 307 A F H X S+ 0 0 40 -4,-0.8 4,-0.9 2,-0.2 -2,-0.2 0.861 108.8 52.9 -90.0 -46.2 7.2 77.4 62.3 297 308 A A H < S+ 0 0 14 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.1 0.275 114.8 49.2 -73.4 13.6 4.9 78.0 65.2 298 309 A D H >4 S+ 0 0 92 -5,-0.1 3,-0.5 -3,-0.1 -1,-0.2 0.674 100.5 56.2-117.6 -44.7 8.1 77.7 67.2 299 310 A E H 3< S+ 0 0 146 -4,-1.0 2,-0.3 1,-0.3 -2,-0.2 0.649 97.2 71.2 -65.7 -14.6 10.5 80.0 65.4 300 311 A K T 3< 0 0 95 -4,-0.9 -1,-0.3 1,-0.1 -4,-0.1 -0.275 360.0 360.0 -97.0 46.1 7.9 82.7 66.1 301 312 A R < 0 0 153 -3,-0.5 -1,-0.1 -2,-0.3 -4,-0.0 -0.831 360.0 360.0-157.9 360.0 8.6 82.8 69.8 302 ! 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 0.0 303 321 A G 0 0 134 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 84.5 3.3 75.1 86.6 304 322 A I - 0 0 174 2,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.783 360.0-162.9 -97.8 129.1 1.7 78.1 84.8 305 323 A K - 0 0 166 -2,-0.5 2,-0.7 2,-0.0 0, 0.0 -0.932 9.9-146.1-113.0 126.8 1.7 78.4 81.0 306 324 A D - 0 0 107 -2,-0.5 4,-0.2 1,-0.1 3,-0.2 -0.829 11.5-173.7 -96.4 112.6 1.0 81.8 79.3 307 325 A L > + 0 0 98 -2,-0.7 4,-0.9 1,-0.2 -1,-0.1 0.059 50.2 110.6 -92.3 24.1 -0.9 81.4 76.0 308 326 A S H >> S+ 0 0 53 2,-0.2 3,-2.3 1,-0.1 4,-2.0 0.995 75.9 41.5 -61.3 -74.4 -0.7 85.1 75.0 309 327 A Q H 3> S+ 0 0 98 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.888 109.6 59.9 -39.2 -56.9 1.7 85.1 72.0 310 328 A X H 34 S+ 0 0 73 1,-0.3 -1,-0.3 -4,-0.2 4,-0.2 0.810 110.4 44.0 -44.3 -34.5 0.1 82.0 70.5 311 329 A L H X< S+ 0 0 119 -3,-2.3 3,-1.3 -4,-0.9 -1,-0.3 0.927 111.1 51.2 -77.6 -48.4 -3.1 84.0 70.4 312 330 A K H 3< S+ 0 0 171 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.682 120.0 39.7 -62.4 -16.2 -1.5 87.1 69.0 313 331 A K T 3X S+ 0 0 56 -4,-2.1 4,-1.3 -5,-0.3 -1,-0.3 0.316 81.5 99.2-118.9 9.5 -0.0 84.9 66.4 314 332 A X H <> S+ 0 0 74 -3,-1.3 4,-3.3 -5,-0.2 5,-0.3 0.864 79.6 60.6 -63.5 -36.8 -2.8 82.4 65.5 315 333 A P H > S+ 0 0 77 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.958 106.3 44.7 -55.5 -52.2 -3.8 84.4 62.4 316 334 A Q H > S+ 0 0 74 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.818 114.3 52.7 -61.9 -29.9 -0.3 84.0 60.8 317 335 A Y H >X S+ 0 0 55 -4,-1.3 4,-1.9 1,-0.2 3,-1.5 0.994 104.4 51.8 -67.4 -62.5 -0.5 80.3 61.9 318 336 A Q H 3X S+ 0 0 86 -4,-3.3 4,-0.5 1,-0.3 -1,-0.2 0.689 104.8 61.4 -47.7 -19.9 -3.8 79.6 60.2 319 337 A K H 3< S+ 0 0 125 -4,-1.0 4,-0.4 -5,-0.3 -1,-0.3 0.924 108.5 40.5 -72.8 -45.5 -2.2 81.1 57.1 320 338 A E H XX S+ 0 0 45 -3,-1.5 3,-3.1 -4,-1.2 4,-0.9 0.961 108.3 57.5 -66.8 -54.7 0.4 78.4 57.1 321 339 A L H 3< S+ 0 0 63 -4,-1.9 3,-0.3 1,-0.3 -1,-0.2 0.772 107.5 53.8 -47.7 -25.0 -1.9 75.5 58.0 322 340 A S T 3< S+ 0 0 65 -4,-0.5 4,-0.4 -5,-0.4 3,-0.4 0.677 91.3 70.4 -84.3 -20.0 -3.7 76.7 54.9 323 341 A K T <4 S+ 0 0 123 -3,-3.1 -1,-0.2 -4,-0.4 -2,-0.2 0.748 108.6 38.0 -66.6 -22.3 -0.6 76.5 52.7 324 342 A Y S X S+ 0 0 33 -4,-0.9 4,-2.8 -3,-0.3 5,-0.4 0.447 86.7 107.7-105.8 -5.6 -1.0 72.7 53.1 325 343 A S H > S+ 0 0 53 -3,-0.4 4,-1.4 1,-0.2 3,-0.2 0.881 84.9 35.4 -36.4 -70.5 -4.8 72.5 52.9 326 344 A T H > S+ 0 0 60 -4,-0.4 4,-0.5 1,-0.2 -1,-0.2 0.829 116.4 54.1 -60.6 -36.4 -5.2 71.0 49.5 327 345 A H H >> S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 3,-0.9 0.901 107.9 49.2 -67.6 -39.1 -2.1 68.8 49.8 328 346 A L H 3X S+ 0 0 37 -4,-2.8 4,-2.4 1,-0.3 -1,-0.2 0.832 106.8 57.5 -66.2 -30.2 -3.3 67.2 53.0 329 347 A H H 3X S+ 0 0 88 -4,-1.4 4,-1.0 -5,-0.4 -1,-0.3 0.682 108.2 48.8 -71.3 -17.8 -6.6 66.7 51.1 330 348 A L H S+ 0 0 56 -4,-2.0 4,-1.5 -5,-0.2 5,-1.0 0.868 113.6 48.7 -57.9 -41.0 -8.2 54.7 49.0 338 356 A Y H X>S+ 0 0 30 -4,-1.8 5,-1.7 1,-0.2 4,-0.7 0.978 109.6 46.3 -65.8 -60.8 -5.4 52.6 50.6 339 357 A Q H <5S+ 0 0 130 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.697 109.6 63.7 -56.7 -17.7 -7.1 51.3 53.7 340 358 A Q H <5S- 0 0 95 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.942 135.2 -39.6 -74.0 -52.6 -10.0 50.5 51.4 341 359 A H H X5S+ 0 0 25 -4,-1.5 4,-0.9 -3,-0.4 -3,-0.2 0.455 117.6 83.1-153.8 -14.2 -8.4 47.9 49.1 342 360 A V H X S+ 0 0 55 -6,-0.3 4,-1.2 1,-0.2 -1,-0.3 0.824 111.0 52.5 -62.4 -35.1 -4.1 43.9 50.4 345 363 A L H X S+ 0 0 0 -4,-0.9 4,-2.9 -3,-0.3 -1,-0.2 0.888 105.3 54.3 -71.1 -38.9 -2.9 44.4 46.9 346 364 A C H X S+ 0 0 0 -4,-2.6 4,-3.6 1,-0.2 5,-0.3 0.918 101.7 57.6 -62.6 -43.7 0.6 45.6 48.0 347 365 A K H X S+ 0 0 93 -4,-1.7 4,-1.6 -5,-0.2 -1,-0.2 0.933 114.3 38.1 -54.9 -45.9 1.3 42.6 50.1 348 366 A V H X S+ 0 0 5 -4,-1.2 4,-2.7 2,-0.2 5,-0.2 0.945 116.5 51.5 -71.3 -45.4 0.8 40.3 47.1 349 367 A E H X S+ 0 0 0 -4,-2.9 4,-3.4 1,-0.2 5,-0.3 0.935 109.5 49.8 -54.9 -48.9 2.5 42.6 44.7 350 368 A Q H X S+ 0 0 3 -4,-3.6 4,-2.3 1,-0.2 6,-0.4 0.899 111.7 48.4 -59.8 -40.5 5.6 43.0 46.9 351 369 A D H X S+ 0 0 32 -4,-1.6 4,-2.6 -5,-0.3 -1,-0.2 0.938 116.1 44.0 -64.0 -44.9 5.9 39.2 47.2 352 370 A L H < S+ 0 0 6 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.926 116.6 44.9 -66.3 -46.0 5.5 38.7 43.5 353 371 A A H < S+ 0 0 1 -4,-3.4 92,-0.5 -5,-0.2 -2,-0.2 0.914 122.8 36.1 -64.8 -44.6 7.8 41.6 42.5 354 372 A X H < S- 0 0 17 -4,-2.3 92,-0.2 -5,-0.3 -2,-0.2 0.855 92.7-139.9 -78.3 -37.2 10.5 40.7 45.0 355 373 A G S < S+ 0 0 14 -4,-2.6 8,-1.5 -5,-0.4 2,-0.3 0.415 78.1 79.3 87.3 -1.2 10.2 36.9 44.8 356 374 A T B S-N 362 0E 32 -6,-0.4 -1,-0.3 6,-0.3 6,-0.3 -0.964 80.4-116.4-136.7 151.5 10.6 36.9 48.6 357 375 A D > - 0 0 27 4,-3.0 3,-2.3 -2,-0.3 6,-0.0 -0.174 47.4 -86.0 -78.9 178.5 8.3 37.6 51.5 358 376 A A T 3 S+ 0 0 29 1,-0.3 97,-0.2 2,-0.1 -1,-0.1 0.785 129.6 57.3 -56.5 -26.1 8.9 40.4 54.0 359 377 A D T 3 S- 0 0 141 2,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.368 121.6-103.4 -87.7 3.8 11.2 38.1 55.9 360 378 A G S < S+ 0 0 37 -3,-2.3 2,-0.2 1,-0.3 -2,-0.1 0.403 77.1 134.6 91.9 -2.3 13.5 37.4 53.0 361 379 A E - 0 0 121 1,-0.1 -4,-3.0 -5,-0.0 -1,-0.3 -0.557 63.0-105.0 -85.6 145.0 12.2 34.0 52.2 362 380 A K B -N 356 0E 146 -6,-0.3 -6,-0.3 -2,-0.2 2,-0.2 -0.239 45.6-112.6 -57.8 154.0 11.4 32.8 48.7 363 381 A I + 0 0 25 -8,-1.5 2,-0.3 -12,-0.2 3,-0.1 -0.595 41.0 163.0 -94.5 158.1 7.7 32.7 48.1 364 382 A R + 0 0 161 -2,-0.2 4,-0.0 1,-0.1 -8,-0.0 -0.924 52.6 51.9-156.8 173.0 5.4 29.6 47.6 365 383 A D + 0 0 123 -2,-0.3 3,-0.5 1,-0.1 4,-0.4 0.951 63.4 173.0 53.0 51.8 1.7 28.8 47.7 366 384 A H >> + 0 0 32 1,-0.2 4,-1.6 2,-0.2 3,-1.5 0.879 67.4 55.3 -57.7 -47.7 1.1 31.7 45.4 367 385 A X H 3> S+ 0 0 63 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.785 87.3 79.4 -61.1 -29.4 -2.6 31.0 44.8 368 386 A R H 34 S+ 0 0 193 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.803 112.6 22.3 -49.6 -30.6 -3.3 31.1 48.5 369 387 A N H <> S+ 0 0 76 -3,-1.5 4,-0.6 -4,-0.4 -1,-0.2 0.649 122.2 56.6-110.1 -24.5 -3.2 34.9 48.2 370 388 A I H >X S+ 0 0 2 -4,-1.6 4,-2.4 2,-0.2 3,-1.3 0.979 102.0 53.3 -71.8 -58.1 -4.0 35.4 44.5 371 389 A V H 3X S+ 0 0 40 -4,-1.6 4,-3.5 1,-0.3 5,-0.2 0.880 103.4 55.8 -44.2 -54.6 -7.3 33.6 44.3 372 390 A P H 34 S+ 0 0 77 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.808 112.7 43.3 -51.5 -34.4 -9.0 35.5 47.1 373 391 A I H X< S+ 0 0 6 -3,-1.3 3,-1.5 -4,-0.6 6,-0.2 0.891 114.1 49.9 -78.0 -43.2 -8.2 38.8 45.3 374 392 A L H 3< S+ 0 0 1 -4,-2.4 -3,-0.2 1,-0.3 -1,-0.1 0.916 112.0 47.9 -62.1 -42.8 -9.3 37.4 41.9 375 393 A L T 3< S+ 0 0 96 -4,-3.5 2,-0.8 -5,-0.2 -1,-0.3 0.142 86.0 106.7 -85.9 22.0 -12.6 36.1 43.3 376 394 A D X - 0 0 38 -3,-1.5 3,-1.4 -5,-0.2 -3,-0.0 -0.884 55.2-163.8-102.2 106.8 -13.3 39.4 45.1 377 395 A Q T 3 S+ 0 0 195 -2,-0.8 -1,-0.1 1,-0.3 4,-0.1 0.666 84.4 61.2 -65.6 -16.6 -16.0 41.0 43.0 378 396 A K T 3 S+ 0 0 139 2,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.659 86.8 87.2 -84.8 -16.2 -15.4 44.5 44.6 379 397 A I S < S- 0 0 6 -3,-1.4 -3,-0.1 -6,-0.2 5,-0.1 -0.727 86.5-111.1 -87.9 131.1 -11.8 44.7 43.3 380 398 A S > - 0 0 50 -2,-0.4 4,-1.5 1,-0.1 3,-0.3 -0.129 16.3-120.2 -61.5 154.1 -11.4 46.1 39.8 381 399 A A H > S+ 0 0 29 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.712 112.5 58.0 -66.4 -24.0 -10.3 44.0 36.8 382 400 A Y H > S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.876 104.3 50.2 -76.5 -34.4 -7.3 46.2 36.3 383 401 A D H > S+ 0 0 7 -3,-0.3 4,-1.5 1,-0.2 -2,-0.2 0.858 112.4 48.3 -69.4 -33.3 -6.0 45.5 39.8 384 402 A K H X S+ 0 0 9 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.824 109.4 52.7 -74.9 -29.6 -6.5 41.8 39.1 385 403 A I H X S+ 0 0 0 -4,-1.4 4,-2.9 2,-0.2 5,-0.2 0.912 106.6 52.5 -70.6 -41.6 -4.7 42.2 35.7 386 404 A R H X S+ 0 0 2 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.888 112.8 45.2 -60.5 -39.9 -1.7 43.8 37.5 387 405 A I H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.929 111.7 52.3 -69.7 -45.2 -1.6 40.9 39.9 388 406 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.941 112.9 44.8 -54.1 -50.7 -2.0 38.3 37.1 389 407 A L H X S+ 0 0 0 -4,-2.9 4,-3.3 2,-0.2 5,-0.2 0.894 110.9 52.3 -61.8 -42.8 0.9 39.9 35.1 390 408 A L H X S+ 0 0 2 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.873 113.2 46.2 -62.8 -36.6 3.1 40.2 38.2 391 409 A Y H X S+ 0 0 25 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.918 112.3 49.3 -71.2 -44.0 2.5 36.5 38.8 392 410 A I H X>S+ 0 0 0 -4,-2.9 5,-1.7 -5,-0.2 4,-1.6 0.990 114.2 46.5 -56.6 -58.4 3.2 35.6 35.2 393 411 A I H <5S+ 0 0 0 -4,-3.3 3,-0.3 1,-0.2 -1,-0.2 0.877 111.1 51.9 -50.2 -45.5 6.4 37.7 35.3 394 412 A H H <5S+ 0 0 46 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.954 113.4 43.9 -58.3 -49.0 7.4 36.1 38.6 395 413 A K H <5S- 0 0 110 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.658 111.3-122.8 -69.5 -19.1 6.9 32.5 37.2 396 414 A G T <5S- 0 0 20 -4,-1.6 -3,-0.2 -3,-0.3 43,-0.2 0.836 75.9 -17.2 79.7 33.4 8.6 33.4 34.0 397 415 A G < - 0 0 6 -5,-1.7 2,-0.3 32,-0.2 34,-0.3 -0.126 68.3-133.1 113.9 149.2 5.7 32.5 31.7 398 416 A I B -o 431 0F 10 32,-3.2 34,-2.8 -2,-0.1 2,-0.1 -0.890 23.4-101.5-134.3 160.7 2.6 30.5 32.1 399 417 A S > - 0 0 41 -2,-0.3 4,-2.0 32,-0.2 5,-0.2 -0.409 32.8-116.9 -77.0 161.3 0.8 27.8 30.1 400 418 A E H > S+ 0 0 118 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.900 114.3 62.9 -62.6 -39.0 -2.3 28.7 28.1 401 419 A E H > S+ 0 0 126 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.934 108.9 36.0 -48.5 -60.5 -4.2 26.4 30.3 402 420 A N H > S+ 0 0 78 2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.845 110.8 59.2 -68.2 -36.9 -3.6 28.4 33.5 403 421 A L H X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.946 109.7 49.1 -54.9 -42.6 -3.7 31.8 31.9 404 422 A A H X S+ 0 0 39 -4,-2.5 4,-1.5 1,-0.2 -2,-0.3 0.946 110.6 47.4 -58.6 -54.0 -7.2 30.6 31.0 405 423 A K H X S+ 0 0 78 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.846 112.4 49.4 -59.2 -38.8 -8.0 29.5 34.6 406 424 A L H X S+ 0 0 10 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.923 109.9 49.8 -67.9 -44.2 -6.8 32.8 36.1 407 425 A V H <>S+ 0 0 17 -4,-2.4 5,-1.8 -5,-0.3 4,-0.4 0.784 110.3 54.8 -64.6 -25.5 -8.8 34.9 33.7 408 426 A Q H ><5S+ 0 0 107 -4,-1.5 3,-0.8 -5,-0.2 -2,-0.2 0.940 108.5 44.5 -71.0 -51.4 -11.8 32.7 34.6 409 427 A H H 3<5S+ 0 0 70 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.814 113.7 50.3 -64.1 -33.3 -11.5 33.3 38.3 410 428 A A T 3<5S- 0 0 4 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.581 101.2-134.8 -82.7 -8.9 -11.0 37.0 37.9 411 429 A H T < 5 + 0 0 156 -3,-0.8 -3,-0.2 -4,-0.4 -2,-0.1 0.950 37.1 179.0 52.0 52.4 -13.9 37.3 35.6 412 430 A I < - 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