==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 15-SEP-05 2D2Q . COMPND 2 MOLECULE: RADIXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR K.KITANO,F.YUSA,T.HAKOSHIMA . 599 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 411 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 111 18.5 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 . 46 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 4 0 0 0 0 0 0 0 5 1 0 0 4 0 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 6 1 2 6 2 5 1 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 0 1 1 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 3 A K 0 0 225 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.4 27.7 41.5 19.5 2 4 A P - 0 0 86 0, 0.0 2,-0.4 0, 0.0 17,-0.2 0.170 360.0-123.9 -56.3 176.9 26.8 43.2 16.1 3 5 A I E -A 18 0A 36 15,-1.1 15,-1.2 2,-0.0 2,-0.1 -0.986 13.7-131.6-134.2 124.5 24.3 42.1 13.5 4 6 A N E -A 17 0A 86 -2,-0.4 70,-2.1 68,-0.3 2,-0.3 -0.413 28.0-174.0 -71.1 149.1 24.9 41.4 9.8 5 7 A V E -Ab 16 74A 3 11,-1.5 11,-2.2 68,-0.3 2,-0.5 -0.980 15.8-164.6-149.9 131.5 22.5 43.0 7.4 6 8 A R E -Ab 15 75A 68 68,-3.5 70,-2.5 -2,-0.3 2,-0.5 -0.975 12.3-179.1-120.0 123.6 22.0 42.7 3.6 7 9 A V E -Ab 14 76A 0 7,-3.5 7,-1.9 -2,-0.5 2,-0.3 -0.974 4.9-167.8-126.4 122.6 19.9 45.3 1.8 8 10 A T E -Ab 13 77A 21 68,-1.9 70,-3.7 -2,-0.5 2,-0.2 -0.762 7.9-165.1-111.5 155.7 19.2 45.3 -1.9 9 11 A T - 0 0 7 3,-1.5 70,-0.1 -2,-0.3 90,-0.0 -0.688 56.2 -77.3-120.1 176.0 17.7 47.9 -4.3 10 12 A M S S+ 0 0 37 68,-0.3 3,-0.1 -2,-0.2 69,-0.1 0.672 129.2 2.8 -54.1 -13.5 16.5 47.1 -7.8 11 13 A D S S+ 0 0 88 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.431 117.7 74.2-153.3 3.4 20.1 47.1 -8.8 12 14 A A - 0 0 29 2,-0.0 -3,-1.5 0, 0.0 2,-0.4 -0.974 54.7-155.0-131.4 125.2 22.5 47.6 -5.8 13 15 A E E -A 8 0A 101 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.767 12.4-170.9 -95.0 136.8 23.4 45.2 -3.0 14 16 A L E -A 7 0A 28 -7,-1.9 -7,-3.5 -2,-0.4 2,-0.4 -0.977 4.0-177.7-132.7 120.7 24.6 46.6 0.3 15 17 A E E +A 6 0A 132 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.949 21.8 126.3-119.0 137.6 26.0 44.5 3.1 16 18 A F E -A 5 0A 44 -11,-2.2 -11,-1.5 -2,-0.4 2,-0.2 -0.967 45.1-103.2-173.2 171.9 27.1 45.9 6.5 17 19 A A E -A 4 0A 50 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.593 25.6-172.8-107.7 169.2 26.7 45.5 10.3 18 20 A I E -A 3 0A 26 -15,-1.2 -15,-1.1 -2,-0.2 -2,-0.0 -0.968 29.4 -97.0-162.7 144.7 24.8 47.3 13.0 19 21 A Q > - 0 0 109 -2,-0.3 3,-2.3 -17,-0.2 0, 0.0 -0.295 36.3-114.5 -64.4 145.2 24.4 47.4 16.8 20 22 A P T 3 S+ 0 0 58 0, 0.0 44,-0.2 0, 0.0 -1,-0.1 0.481 113.7 56.9 -56.0 -7.7 21.5 45.6 18.5 21 23 A N T 3 S+ 0 0 94 42,-0.1 -2,-0.1 2,-0.1 43,-0.0 0.530 79.2 116.8-105.0 -7.4 20.0 48.9 19.6 22 24 A T < - 0 0 6 -3,-2.3 41,-1.6 40,-0.1 42,-0.3 -0.295 56.7-134.9 -65.4 144.5 19.7 50.6 16.2 23 25 A T B > -E 62 0B 36 39,-0.3 4,-2.2 40,-0.1 39,-0.3 -0.436 20.5-112.6 -94.2 168.3 16.3 51.5 14.9 24 26 A G H > S+ 0 0 0 37,-2.4 4,-3.9 34,-0.5 35,-0.3 0.927 119.1 57.3 -65.1 -43.3 14.8 51.0 11.4 25 27 A K H > S+ 0 0 97 34,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.860 108.2 47.9 -55.1 -36.4 14.8 54.7 10.9 26 28 A Q H > S+ 0 0 92 33,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.922 113.1 46.8 -70.6 -43.4 18.5 54.6 11.5 27 29 A L H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.910 111.8 51.0 -62.6 -45.4 19.0 51.6 9.1 28 30 A F H X S+ 0 0 8 -4,-3.9 4,-2.9 1,-0.2 -2,-0.2 0.955 110.8 48.2 -56.8 -52.5 16.8 53.3 6.5 29 31 A D H X S+ 0 0 70 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.786 108.0 57.6 -59.5 -30.1 18.9 56.5 6.8 30 32 A Q H >X S+ 0 0 68 -4,-1.6 4,-2.3 2,-0.2 3,-0.7 0.998 111.4 39.3 -62.4 -63.6 22.0 54.3 6.5 31 33 A V H 3X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 5,-0.3 0.880 110.5 60.1 -52.2 -46.6 21.0 52.9 3.1 32 34 A V H 3X>S+ 0 0 18 -4,-2.9 5,-1.6 -5,-0.2 4,-1.5 0.892 111.8 40.7 -48.7 -45.2 19.6 56.3 2.0 33 35 A K H <<5S+ 0 0 175 -4,-1.7 -2,-0.2 -3,-0.7 -1,-0.2 0.901 109.0 55.8 -72.7 -47.1 23.1 57.7 2.4 34 36 A T H <5S+ 0 0 83 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.697 119.0 36.2 -61.2 -18.8 25.2 54.8 1.0 35 37 A V H <5S- 0 0 39 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.688 106.9-124.8-107.1 -27.7 23.2 55.0 -2.2 36 38 A G T <5 + 0 0 40 -4,-1.5 2,-0.4 -5,-0.3 -3,-0.2 0.748 51.4 150.7 90.2 27.6 22.7 58.8 -2.4 37 39 A L < + 0 0 5 -5,-1.6 -1,-0.2 -6,-0.2 3,-0.1 -0.753 20.4 176.4 -96.2 135.3 19.0 59.2 -2.7 38 40 A R + 0 0 175 -2,-0.4 2,-2.7 1,-0.2 3,-0.2 0.831 66.7 76.0-101.8 -44.8 17.2 62.3 -1.3 39 41 A E + 0 0 8 1,-0.2 3,-0.5 2,-0.1 4,-0.2 -0.417 58.0 153.7 -71.5 76.7 13.5 61.8 -2.3 40 42 A V > + 0 0 41 -2,-2.7 3,-2.3 1,-0.2 -1,-0.2 0.764 43.1 86.7 -79.9 -29.4 13.0 59.3 0.5 41 43 A W T 3 S+ 0 0 112 1,-0.3 -1,-0.2 -3,-0.2 247,-0.1 0.743 87.6 56.3 -46.0 -30.2 9.2 59.6 1.1 42 44 A F T 3 S+ 0 0 0 -3,-0.5 39,-3.7 39,-0.1 40,-2.2 0.761 100.0 75.6 -75.6 -25.4 8.5 57.1 -1.6 43 45 A F E < +C 80 0A 15 -3,-2.3 2,-0.3 37,-0.3 37,-0.2 -0.393 46.9 168.7 -97.6 166.7 10.6 54.3 -0.1 44 46 A G E -C 79 0A 11 35,-2.1 35,-1.9 -2,-0.1 2,-0.5 -0.933 35.7-105.2-156.1 171.8 10.6 51.8 2.7 45 47 A L E -C 78 0A 1 12,-0.4 12,-3.3 -2,-0.3 2,-0.3 -0.954 34.0-160.0-112.7 123.2 12.5 48.7 3.8 46 48 A Q E +CD 77 56A 39 31,-3.1 31,-2.3 -2,-0.5 2,-0.3 -0.772 14.4 168.3-106.3 147.8 10.8 45.3 3.3 47 49 A Y E - D 0 55A 13 8,-3.2 8,-2.5 -2,-0.3 2,-0.3 -0.994 35.4-116.2-154.9 148.4 11.5 42.0 5.0 48 50 A V E - D 0 54A 55 27,-0.4 21,-2.7 -2,-0.3 6,-0.2 -0.682 35.6-142.6 -82.5 137.5 10.1 38.5 5.4 49 51 A D B > -F 68 0C 25 4,-2.7 3,-1.3 -2,-0.3 19,-0.2 -0.115 36.4 -82.1 -87.2-168.7 9.1 37.8 9.1 50 52 A S T 3 S+ 0 0 61 17,-1.1 18,-0.1 1,-0.3 17,-0.1 0.915 128.8 50.9 -63.7 -41.7 9.6 34.5 10.8 51 53 A K T 3 S- 0 0 160 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.072 121.3-101.7 -84.7 25.4 6.3 33.0 9.4 52 54 A G S < S+ 0 0 48 -3,-1.3 2,-0.2 1,-0.2 -2,-0.1 0.257 75.1 136.9 81.2 -15.7 7.2 34.0 5.8 53 55 A Y - 0 0 103 -5,-0.1 -4,-2.7 1,-0.1 2,-0.3 -0.450 58.0-117.4 -73.7 141.3 5.1 37.0 5.3 54 56 A S E -D 48 0A 41 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.585 42.5-177.5 -73.6 133.4 6.5 40.1 3.6 55 57 A T E -D 47 0A 28 -8,-2.5 -8,-3.2 -2,-0.3 2,-0.6 -0.954 29.2-123.8-138.7 153.8 6.6 43.0 6.0 56 58 A W E -D 46 0A 48 -2,-0.3 -10,-0.2 -10,-0.2 2,-0.2 -0.876 36.7-117.2 -98.4 124.7 7.5 46.7 6.1 57 59 A L - 0 0 11 -12,-3.3 2,-0.6 -2,-0.6 -12,-0.4 -0.404 22.4-127.2 -63.7 126.6 10.1 47.6 8.7 58 60 A K - 0 0 113 -2,-0.2 -34,-0.5 1,-0.2 3,-0.4 -0.655 15.6-157.9 -73.6 118.4 8.8 50.0 11.3 59 61 A L S S+ 0 0 42 -2,-0.6 -34,-3.0 1,-0.3 2,-1.4 0.819 85.5 69.4 -68.9 -28.9 11.4 52.8 11.3 60 62 A N S S+ 0 0 127 -36,-0.2 2,-0.3 -37,-0.1 -1,-0.3 -0.316 99.8 52.4 -84.5 50.5 10.2 53.8 14.8 61 63 A K S S- 0 0 82 -2,-1.4 -37,-2.4 -3,-0.4 2,-0.3 -0.960 96.9 -72.9-176.8 158.1 11.7 50.7 16.4 62 64 A K B > -E 23 0B 73 -2,-0.3 3,-3.3 -39,-0.3 -39,-0.3 -0.457 38.5-132.8 -64.9 123.4 14.7 48.5 16.9 63 65 A V T 3 S+ 0 0 2 -41,-1.6 5,-0.2 1,-0.3 -1,-0.2 0.421 108.1 60.0 -57.0 7.1 15.3 46.5 13.7 64 66 A T T 3 S+ 0 0 58 -42,-0.3 -1,-0.3 -44,-0.2 3,-0.3 0.466 94.3 56.0-113.8 -9.3 15.6 43.7 16.2 65 67 A Q S < S+ 0 0 100 -3,-3.3 -2,-0.1 1,-0.2 -1,-0.1 -0.056 88.1 83.6-111.6 29.6 12.1 43.8 17.8 66 68 A Q S S- 0 0 17 -3,-0.1 -1,-0.2 -4,-0.1 -3,-0.1 0.384 95.4-125.9-109.8 -4.6 10.4 43.4 14.4 67 69 A D + 0 0 85 -3,-0.3 -17,-1.1 1,-0.1 3,-0.1 0.896 42.3 176.2 59.5 44.0 10.7 39.7 14.2 68 70 A V B -F 49 0C 14 -5,-0.2 -19,-0.3 -19,-0.2 -1,-0.1 -0.354 46.2 -75.5 -73.9 162.1 12.4 39.6 10.9 69 71 A K - 0 0 73 -21,-2.7 2,-0.7 6,-0.2 6,-0.4 -0.378 50.6-122.5 -59.5 131.9 13.5 36.2 9.5 70 72 A K + 0 0 169 4,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.687 53.7 136.4 -83.1 112.5 16.6 35.0 11.4 71 73 A E - 0 0 75 -2,-0.7 -67,-0.1 1,-0.2 3,-0.0 -0.943 67.3 -89.6-147.6 165.4 19.4 34.3 8.9 72 74 A N S S+ 0 0 125 -2,-0.3 2,-0.7 1,-0.2 -68,-0.3 0.940 122.0 25.8 -44.6 -79.1 23.2 35.1 8.9 73 75 A P S S- 0 0 27 0, 0.0 -68,-0.3 0, 0.0 -1,-0.2 -0.794 99.7-121.0 -90.1 124.1 22.8 38.4 7.2 74 76 A L E -b 5 0A 20 -70,-2.1 -68,-3.5 -2,-0.7 2,-0.5 -0.374 34.0-126.5 -55.9 138.0 19.4 39.7 8.0 75 77 A Q E +b 6 0A 55 -6,-0.4 -27,-0.4 -70,-0.2 2,-0.3 -0.828 36.0 164.7-102.8 128.4 17.6 40.2 4.7 76 78 A F E -b 7 0A 1 -70,-2.5 -68,-1.9 -2,-0.5 2,-0.4 -0.962 22.7-152.3-136.9 152.6 16.0 43.5 3.5 77 79 A K E -bC 8 46A 82 -31,-2.3 -31,-3.1 -2,-0.3 2,-0.7 -0.994 13.3-145.0-129.1 121.0 14.8 44.9 0.2 78 80 A F E + C 0 45A 3 -70,-3.7 -68,-0.3 -2,-0.4 2,-0.3 -0.780 38.2 158.4 -87.4 112.3 14.7 48.6 -0.3 79 81 A R E - C 0 44A 25 -35,-1.9 -35,-2.1 -2,-0.7 2,-0.5 -0.869 48.9 -92.4-136.1 167.5 11.7 49.4 -2.5 80 82 A A E + C 0 43A 4 -2,-0.3 -37,-0.3 -37,-0.2 -38,-0.1 -0.672 35.6 178.3 -77.9 123.1 9.3 52.1 -3.5 81 83 A K + 0 0 35 -39,-3.7 2,-0.3 -2,-0.5 -38,-0.2 0.734 67.3 32.6 -97.6 -28.2 6.3 51.9 -1.1 82 84 A F S S- 0 0 20 -40,-2.2 -1,-0.1 202,-0.1 119,-0.1 -0.795 74.2-136.7-123.4 165.6 4.4 54.9 -2.5 83 85 A F - 0 0 32 -2,-0.3 137,-0.0 117,-0.2 4,-0.0 -0.978 19.8-118.7-126.6 139.4 4.1 56.3 -6.0 84 86 A P - 0 0 4 0, 0.0 3,-0.2 0, 0.0 136,-0.2 -0.138 21.4-123.9 -63.3 170.9 4.2 60.0 -7.1 85 87 A E S S+ 0 0 60 1,-0.3 2,-0.3 135,-0.1 3,-0.0 0.716 102.7 17.0 -87.7 -23.3 1.2 61.4 -8.8 86 88 A D > - 0 0 41 1,-0.1 4,-2.5 2,-0.0 5,-0.4 -0.847 63.2-156.1-150.6 112.6 3.5 62.3 -11.7 87 89 A V H > S+ 0 0 0 -2,-0.3 4,-0.9 -3,-0.2 104,-0.1 0.672 95.2 59.7 -59.9 -18.1 6.9 60.9 -12.3 88 90 A S H 4 S+ 0 0 63 2,-0.1 -1,-0.2 1,-0.1 103,-0.0 0.957 116.1 27.6 -75.6 -54.0 7.8 64.1 -14.3 89 91 A E H 4 S+ 0 0 154 -3,-0.2 -2,-0.2 1,-0.1 -1,-0.1 0.955 129.6 41.2 -70.3 -52.9 7.2 66.6 -11.5 90 92 A E H < S+ 0 0 30 -4,-2.5 2,-1.0 1,-0.1 -3,-0.2 0.792 99.1 68.8 -70.1 -37.0 8.0 64.3 -8.6 91 93 A L < + 0 0 2 -4,-0.9 -1,-0.1 -5,-0.4 6,-0.0 -0.736 51.6 151.1 -93.8 103.9 11.0 62.2 -9.6 92 94 A I + 0 0 108 -2,-1.0 2,-0.3 1,-0.0 -1,-0.2 0.921 44.2 76.1 -96.3 -50.4 14.1 64.4 -9.7 93 95 A Q S >> S- 0 0 20 1,-0.2 4,-2.3 4,-0.0 3,-1.1 -0.482 73.8-134.8 -68.1 127.9 17.2 62.4 -8.9 94 96 A E H 3> S+ 0 0 105 -2,-0.3 4,-1.8 1,-0.3 -1,-0.2 0.704 108.4 57.2 -54.6 -17.5 18.4 60.2 -11.8 95 97 A I H 3> S+ 0 0 45 2,-0.2 4,-2.0 3,-0.1 -1,-0.3 0.868 105.4 46.5 -80.7 -38.9 18.8 57.6 -9.0 96 98 A T H <> S+ 0 0 0 -3,-1.1 4,-2.7 2,-0.2 5,-0.2 0.878 113.3 51.6 -68.8 -37.4 15.2 57.7 -7.9 97 99 A Q H X S+ 0 0 23 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.956 110.9 46.0 -63.9 -51.6 14.2 57.6 -11.5 98 100 A R H X S+ 0 0 69 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.860 113.4 50.9 -60.8 -36.3 16.3 54.5 -12.2 99 101 A L H X S+ 0 0 4 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.949 113.6 42.8 -67.5 -47.6 15.0 52.9 -9.0 100 102 A F H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.3 0.903 111.2 57.0 -64.4 -42.0 11.4 53.5 -9.8 101 103 A F H X S+ 0 0 11 -4,-3.1 4,-2.4 -5,-0.2 5,-0.2 0.933 108.6 46.1 -54.1 -48.9 11.9 52.4 -13.4 102 104 A L H X S+ 0 0 36 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.931 112.7 49.0 -63.8 -45.1 13.3 49.0 -12.4 103 105 A Q H X S+ 0 0 32 -4,-2.0 4,-1.7 2,-0.2 3,-0.5 0.984 115.2 42.5 -57.5 -62.6 10.6 48.3 -9.9 104 106 A V H X S+ 0 0 3 -4,-2.2 4,-2.1 1,-0.2 3,-0.3 0.900 113.9 51.8 -49.2 -50.2 7.6 49.2 -12.2 105 107 A K H X S+ 0 0 51 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.866 108.2 52.0 -58.7 -34.8 9.2 47.4 -15.2 106 108 A E H X S+ 0 0 85 -4,-1.9 4,-1.8 -3,-0.5 -1,-0.2 0.848 109.7 50.4 -69.5 -32.2 9.6 44.3 -13.0 107 109 A A H <>S+ 0 0 11 -4,-1.7 5,-2.1 -3,-0.3 6,-1.2 0.822 107.6 52.9 -74.4 -34.2 6.0 44.5 -12.1 108 110 A I H ><5S+ 0 0 2 -4,-2.1 3,-1.5 4,-0.2 -2,-0.2 0.966 111.2 46.3 -65.3 -52.3 4.9 44.9 -15.8 109 111 A L H 3<5S+ 0 0 11 -4,-2.2 44,-1.0 1,-0.3 -2,-0.2 0.856 108.5 54.3 -58.4 -40.2 6.8 41.7 -16.7 110 112 A N T 3<5S- 0 0 72 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.182 112.5-119.3 -83.5 20.4 5.5 39.7 -13.8 111 113 A D T < 5S+ 0 0 46 -3,-1.5 -3,-0.2 2,-0.2 3,-0.2 0.717 78.7 129.1 50.3 25.4 2.0 40.6 -14.9 112 114 A E S - 0 0 43 0, 0.0 4,-2.0 0, 0.0 5,-0.1 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-2,-0.1 -0.556 59.2 -1.3 82.7-151.9 21.7 52.4 -26.3 134 136 A D S S- 0 0 73 -2,-0.2 41,-0.1 1,-0.1 44,-0.1 -0.440 85.3 -97.6 -76.0 146.5 21.1 53.3 -30.0 135 137 A Y - 0 0 56 39,-0.4 2,-0.3 -2,-0.1 -1,-0.1 -0.304 41.4-176.6 -61.3 141.9 20.4 50.7 -32.6 136 138 A N >> - 0 0 60 1,-0.1 4,-2.1 -3,-0.1 3,-0.8 -0.757 24.2-156.6-150.0 98.4 23.5 49.7 -34.7 137 139 A K T 34 S+ 0 0 151 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.799 100.3 51.3 -38.0 -40.3 23.3 47.2 -37.6 138 140 A E T 34 S+ 0 0 139 -3,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.914 125.0 22.1 -68.2 -46.6 27.0 46.7 -37.0 139 141 A I T <4 S+ 0 0 121 -3,-0.8 2,-1.9 1,-0.2 -2,-0.2 0.929 113.8 63.7 -88.1 -56.2 26.8 46.0 -33.2 140 142 A H S < S- 0 0 15 -4,-2.1 -1,-0.2 -8,-0.0 3,-0.1 -0.503 79.4-160.5 -76.2 82.8 23.3 44.9 -32.6 141 143 A K > - 0 0 139 -2,-1.9 3,-1.9 1,-0.2 2,-0.7 -0.297 38.1 -76.0 -64.5 147.1 23.2 41.7 -34.6 142 144 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.2 0, 0.0 26,-0.0 -0.191 126.2 25.1 -47.8 91.1 19.8 40.2 -35.7 143 145 A G T > S+ 0 0 27 -2,-0.7 3,-1.8 -3,-0.1 4,-0.2 0.436 72.0 140.7 126.0 12.3 18.6 38.6 -32.5 144 146 A Y T < S+ 0 0 30 -3,-1.9 3,-0.3 1,-0.3 -3,-0.1 0.689 73.4 58.5 -56.0 -18.9 20.4 40.7 -30.0 145 147 A L T > S+ 0 0 1 1,-0.2 3,-0.7 -5,-0.1 -1,-0.3 -0.031 72.1 116.6-100.8 28.4 17.3 40.6 -27.9 146 148 A A T < S+ 0 0 36 -3,-1.8 2,-0.4 1,-0.3 -1,-0.2 0.911 80.0 33.2 -63.7 -45.0 17.4 36.9 -27.7 147 149 A N T 3 S+ 0 0 154 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.3 -0.488 92.9 108.3-115.4 63.2 17.9 36.6 -24.0 148 150 A D < - 0 0 30 -3,-0.7 2,-1.0 -2,-0.4 -3,-0.0 -0.999 66.0-129.6-136.8 134.3 15.9 39.6 -22.6 149 151 A R + 0 0 114 -2,-0.4 -40,-0.1 1,-0.2 -2,-0.1 -0.771 47.6 150.4 -83.9 107.9 12.6 39.5 -20.7 150 152 A L + 0 0 25 -2,-1.0 -1,-0.2 1,-0.2 -23,-0.1 0.827 48.8 40.9-108.7 -49.4 10.6 42.1 -22.6 151 153 A L S S- 0 0 9 -28,-0.0 -1,-0.2 1,-0.0 5,-0.1 -0.780 83.0-105.7-108.6 149.5 6.9 41.3 -22.6 152 154 A P >> - 0 0 0 0, 0.0 4,-1.2 0, 0.0 3,-0.9 -0.381 38.5-110.6 -65.1 147.6 4.7 40.1 -19.7 153 155 A Q H >> S+ 0 0 72 -44,-1.0 4,-3.9 1,-0.2 3,-0.6 0.889 114.3 62.4 -44.1 -56.4 3.7 36.5 -20.0 154 156 A R H 34 S+ 0 0 74 1,-0.3 -1,-0.2 2,-0.2 -40,-0.0 0.868 103.7 52.1 -38.0 -48.7 -0.0 37.2 -20.8 155 157 A V H X4 S+ 0 0 2 -3,-0.9 3,-0.6 1,-0.2 5,-0.4 0.919 115.3 38.6 -56.4 -50.0 1.2 39.0 -23.9 156 158 A L H << S+ 0 0 55 -4,-1.2 2,-1.4 -3,-0.6 3,-0.4 0.913 111.4 58.6 -67.0 -46.2 3.3 36.0 -25.1 157 159 A E T 3< S+ 0 0 133 -4,-3.9 -1,-0.3 1,-0.3 -2,-0.1 -0.136 87.4 78.4 -78.5 41.7 0.7 33.5 -23.9 158 160 A Q S < S- 0 0 79 -2,-1.4 2,-2.2 -3,-0.6 -1,-0.3 -0.318 86.6-156.2-137.4 34.7 -1.7 35.4 -26.3 159 161 A H + 0 0 160 -3,-0.4 -2,-0.1 1,-0.2 -3,-0.1 0.201 53.0 125.2 -15.7 46.4 0.1 33.4 -29.0 160 162 A K S S+ 0 0 117 -2,-2.2 -1,-0.2 -5,-0.4 2,-0.1 0.966 79.3 21.1 -76.0 -57.1 -0.7 35.8 -31.8 161 163 A L S S- 0 0 27 -3,-0.2 -3,-0.2 1,-0.1 2,-0.1 -0.446 82.8-116.3-102.4 175.9 3.0 36.1 -32.8 162 164 A T > - 0 0 77 -2,-0.1 4,-1.3 -3,-0.1 5,-0.1 -0.387 41.0 -91.8-100.4-178.9 6.0 33.9 -32.2 163 165 A K H >> S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 3,-0.5 0.954 126.1 45.4 -62.2 -49.9 9.1 34.9 -30.2 164 166 A E H 3> S+ 0 0 103 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.702 106.5 59.6 -68.4 -21.2 11.0 36.3 -33.1 165 167 A Q H 3> S+ 0 0 85 2,-0.2 4,-2.0 1,-0.1 -1,-0.2 0.843 107.5 46.7 -75.1 -32.3 8.0 38.2 -34.4 166 168 A W H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 3,-0.5 0.919 110.4 51.7 -75.8 -44.5 10.4 45.6 -30.6 171 173 A Q H 3X S+ 0 0 35 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.835 101.7 63.4 -60.2 -32.5 13.4 46.3 -32.8 172 174 A N H 3X S+ 0 0 58 -4,-2.8 4,-0.6 1,-0.2 -1,-0.2 0.917 110.8 36.9 -58.6 -43.3 11.1 48.3 -35.1 173 175 A W H X< S+ 0 0 82 -4,-0.9 3,-1.0 -3,-0.5 -2,-0.2 0.873 108.3 64.0 -74.9 -41.2 10.6 50.8 -32.2 174 176 A H H >< S+ 0 0 0 -4,-2.7 3,-1.2 1,-0.3 -39,-0.4 0.917 100.8 53.2 -48.4 -48.0 14.1 50.6 -30.9 175 177 A E H >< S+ 0 0 80 -4,-2.2 3,-0.8 1,-0.3 -1,-0.3 0.796 100.0 62.5 -60.0 -29.9 15.3 52.1 -34.2 176 178 A E T << S+ 0 0 136 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.003 92.2 67.8 -86.7 30.2 12.9 55.0 -33.8 177 179 A H T X + 0 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S+ 0 0 108 -2,-0.3 -1,-0.1 1,-0.3 -82,-0.1 0.843 111.1 44.7 -47.2 -42.7 -5.0 51.5 -14.8 198 200 A M T > S+ 0 0 16 -84,-0.3 3,-1.6 2,-0.1 -1,-0.3 0.639 86.8 126.2 -78.7 -16.9 -3.4 49.1 -12.4 199 201 A Y T < S- 0 0 26 -3,-1.4 3,-0.1 -6,-0.3 -116,-0.1 -0.165 80.6 -7.1 -49.8 124.9 -0.3 51.2 -12.0 200 202 A G T 3 S+ 0 0 11 1,-0.2 2,-0.4 19,-0.1 20,-0.3 0.626 97.7 127.0 65.0 17.6 0.7 52.1 -8.4 201 203 A V < - 0 0 19 -3,-1.6 2,-0.5 18,-0.1 18,-0.2 -0.863 50.5-142.5-110.5 142.7 -2.3 50.6 -6.7 202 204 A N E -G 218 0D 45 16,-2.2 16,-1.4 -2,-0.4 2,-0.4 -0.875 16.6-151.7-101.5 129.4 -2.3 48.1 -3.8 203 205 A Y E -G 217 0D 45 -2,-0.5 2,-0.4 14,-0.2 14,-0.2 -0.836 13.5-177.6-105.2 137.8 -4.9 45.5 -3.8 204 206 A F E -G 216 0D 17 12,-2.1 12,-2.9 -2,-0.4 2,-0.4 -0.997 27.8-126.7-130.7 133.1 -6.3 43.8 -0.8 205 207 A E E +G 215 0D 80 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.704 46.7 154.5 -81.3 129.9 -8.9 41.0 -1.0 206 208 A I E -G 214 0D 1 8,-2.3 8,-3.1 -2,-0.4 2,-0.3 -0.873 30.7-136.0-145.4 177.7 -11.9 42.0 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53.0 571 275 B R H > S+ 0 0 71 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.878 104.5 52.5 -68.0 -37.3 -11.0 51.8 52.2 572 276 B I H > S+ 0 0 53 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.952 106.0 51.5 -61.4 -54.1 -12.5 48.9 50.3 573 277 B N H X S+ 0 0 0 -4,-1.4 4,-2.9 1,-0.3 5,-0.3 0.924 106.3 53.1 -51.7 -52.5 -14.8 51.0 48.1 574 278 B K H X S+ 0 0 120 -4,-1.8 4,-2.6 1,-0.3 -1,-0.3 0.921 109.6 51.6 -48.4 -46.1 -12.0 53.3 47.1 575 279 B R H X S+ 0 0 53 -4,-1.6 4,-1.3 2,-0.2 -1,-0.3 0.881 109.4 48.4 -59.2 -42.0 -10.2 50.1 46.0 576 280 B I H X S+ 0 0 1 -4,-2.0 4,-3.0 -3,-0.3 -2,-0.2 0.926 112.6 47.6 -65.2 -47.1 -13.1 48.9 44.0 577 281 B L H X S+ 0 0 37 -4,-2.9 4,-3.2 1,-0.2 5,-0.3 0.895 109.0 54.1 -61.2 -41.5 -13.5 52.3 42.2 578 282 B A H X S+ 0 0 35 -4,-2.6 4,-1.4 -5,-0.3 -1,-0.2 0.838 114.1 43.5 -61.6 -31.9 -9.8 52.4 41.6 579 283 B L H X S+ 0 0 2 -4,-1.3 4,-2.9 -5,-0.2 5,-0.4 0.851 113.8 48.4 -80.9 -39.2 -10.2 49.0 39.9 580 284 B C H X S+ 0 0 7 -4,-3.0 4,-1.8 2,-0.2 5,-0.3 0.927 114.0 46.8 -67.8 -44.6 -13.4 49.9 38.0 581 285 B M H X S+ 0 0 120 -4,-3.2 4,-2.1 -5,-0.2 -2,-0.2 0.945 117.1 46.4 -61.9 -45.3 -11.9 53.0 36.7 582 286 B G H X S+ 0 0 8 -4,-1.4 4,-2.4 -5,-0.3 -2,-0.2 0.950 114.8 39.8 -64.5 -55.8 -8.8 51.2 35.8 583 287 B N H X S+ 0 0 4 -4,-2.9 4,-3.4 2,-0.2 -1,-0.2 0.940 115.8 52.9 -62.7 -43.9 -10.1 48.0 34.0 584 288 B H H X S+ 0 0 68 -4,-1.8 4,-2.0 -5,-0.4 5,-0.2 0.954 109.3 49.4 -53.1 -53.9 -12.8 50.0 32.2 585 289 B E H X S+ 0 0 104 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.948 113.5 45.0 -51.6 -55.2 -10.2 52.4 30.9 586 290 B L H X S+ 0 0 12 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.948 110.2 58.0 -54.0 -49.8 -7.9 49.7 29.7 587 291 B Y H >X S+ 0 0 21 -4,-3.4 3,-3.1 1,-0.2 4,-0.8 0.927 105.8 46.5 -39.0 -77.6 -11.0 47.9 28.2 588 292 B M H >< S+ 0 0 96 -4,-2.0 3,-1.4 1,-0.3 4,-0.4 0.785 107.2 57.3 -34.7 -51.5 -12.1 50.8 26.0 589 293 B R H 3< S+ 0 0 124 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.738 102.1 56.2 -60.5 -22.8 -8.5 51.3 24.7 590 294 B R H << S+ 0 0 67 -3,-3.1 -1,-0.3 -4,-1.2 -2,-0.2 0.747 114.0 40.1 -78.6 -23.2 -8.5 47.7 23.5 591 295 B R S << S+ 0 0 86 -3,-1.4 -2,-0.2 -4,-0.8 -1,-0.2 0.315 87.4 124.5-104.5 4.8 -11.6 48.5 21.5 592 296 B K - 0 0 151 -4,-0.4 2,-0.2 -5,-0.2 -3,-0.1 -0.518 56.6-138.1 -69.6 119.9 -10.4 52.0 20.4 593 297 B P - 0 0 49 0, 0.0 2,-0.7 0, 0.0 -344,-0.2 -0.597 5.7-130.4 -84.9 143.9 -10.5 52.2 16.6 594 298 B D E -L 248 0D 89 -346,-1.7 -346,-2.0 -2,-0.2 2,-0.4 -0.827 34.8-176.0 -89.4 114.8 -7.7 53.8 14.6 595 299 B T E -L 247 0D 56 -2,-0.7 2,-0.6 -348,-0.2 -348,-0.3 -0.909 24.0-137.9-119.8 145.6 -9.3 56.3 12.2 596 300 B I E -L 246 0D 11 -350,-2.9 -350,-1.9 -2,-0.4 2,-1.0 -0.875 17.2-143.8 -99.0 117.5 -7.8 58.4 9.5 597 301 B E E +L 245 0D 90 -2,-0.6 -352,-0.2 -352,-0.2 3,-0.1 -0.706 27.9 167.6 -82.4 105.3 -9.3 61.9 9.5 598 302 B V S S+ 0 0 4 -354,-1.1 2,-0.5 -2,-1.0 -353,-0.2 0.873 70.3 42.7 -84.9 -38.7 -9.5 62.9 5.8 599 303 B Q 0 0 52 -355,-2.7 -1,-0.2 -3,-0.2 -355,-0.0 -0.929 360.0 360.0-110.7 128.1 -11.7 65.9 6.4 600 304 B Q 0 0 189 -2,-0.5 -1,-0.1 -3,-0.1 -2,-0.1 0.203 360.0 360.0 -71.9 360.0 -10.9 68.3 9.3