==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 03-JAN-13 4IN3 . COMPND 2 MOLECULE: CHITIN BIOSYNTHESIS PROTEIN CHS5; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR B.C.RICHARDSON,J.C.FROMME . 1376 21 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 65024.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 941 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 70 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 612 44.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 1.7 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 1 1 1 2 2 5 4 2 6 9 0 0 4 0 0 1 3 0 3 1 0 1 0 2 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 4 0 3 4 2 2 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 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 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 D >> 0 0 139 0, 0.0 3,-4.4 0, 0.0 4,-0.9 0.000 360.0 360.0 360.0 124.8 11.8 2.8 34.1 2 -2 A P H 3> + 0 0 107 0, 0.0 4,-0.8 0, 0.0 3,-0.1 0.759 360.0 61.7 -37.3 -31.2 9.3 4.6 36.4 3 -1 A E H 34 S+ 0 0 37 1,-0.2 52,-0.2 2,-0.2 3,-0.2 0.812 96.2 58.9 -67.8 -30.6 6.7 2.8 34.3 4 0 A F H X4 S+ 0 0 123 -3,-4.4 3,-0.8 1,-0.2 -1,-0.2 0.861 100.7 53.4 -69.2 -36.7 8.1 -0.5 35.4 5 1 A M H 3< S+ 0 0 157 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.770 115.7 40.7 -69.2 -25.1 7.5 0.1 39.1 6 2 A S T 3< S+ 0 0 29 -4,-0.8 -1,-0.2 -3,-0.2 -2,-0.2 0.281 90.5 126.2-104.3 8.4 3.8 1.0 38.3 7 3 A S < - 0 0 28 -3,-0.8 2,-0.5 -4,-0.1 47,-0.2 -0.235 52.7-139.4 -63.7 155.3 3.4 -1.9 35.8 8 4 A V E -A 53 0A 33 45,-2.3 45,-2.7 705,-0.1 2,-0.6 -0.956 11.7-163.6-125.9 114.7 0.6 -4.3 36.3 9 5 A D E +A 52 0A 89 -2,-0.5 2,-0.3 43,-0.2 43,-0.2 -0.850 15.3 174.7-100.8 122.4 1.1 -8.1 35.6 10 6 A V E -A 51 0A 18 41,-2.5 41,-2.5 -2,-0.6 2,-0.4 -0.931 23.3-146.9-125.0 149.0 -2.0 -10.2 35.2 11 7 A L E -A 50 0A 47 -2,-0.3 2,-0.3 39,-0.2 16,-0.3 -0.951 23.2-177.0-108.6 134.7 -2.7 -13.9 34.3 12 8 A L E -A 49 0A 0 37,-2.7 37,-2.6 -2,-0.4 2,-0.5 -0.961 20.8-134.7-131.6 151.4 -5.8 -14.6 32.3 13 9 A T E -AB 48 25A 22 12,-2.1 12,-1.8 -2,-0.3 2,-0.7 -0.906 22.6-126.0-107.3 129.8 -7.5 -17.8 31.1 14 10 A V E + B 0 24A 1 33,-3.9 32,-3.3 -2,-0.5 33,-0.4 -0.635 41.2 170.6 -79.0 113.1 -8.7 -18.1 27.5 15 11 A G E - 0 0 2 8,-2.7 31,-0.2 -2,-0.7 1072,-0.2 0.253 45.5 -3.8 -98.6-144.6 -12.4 -19.1 27.7 16 12 A K E S- 0 0 53 1070,-0.4 7,-1.5 6,-0.1 2,-0.3 -0.247 77.4-153.7 -50.9 134.4 -15.3 -19.4 25.2 17 13 A L E + B 0 22A 63 5,-0.2 5,-0.2 -3,-0.1 2,-0.2 -0.890 22.6 179.7-129.3 147.9 -14.0 -18.1 21.9 18 14 A D - 0 0 85 3,-2.5 5,-0.0 -2,-0.3 0, 0.0 -0.600 46.3-106.8-123.7-176.9 -15.3 -16.4 18.7 19 15 A A S S+ 0 0 56 -2,-0.2 477,-0.3 3,-0.0 18,-0.1 0.759 125.9 34.7 -77.0 -30.7 -13.7 -15.1 15.5 20 16 A S S S+ 0 0 25 1,-0.2 16,-1.9 475,-0.1 17,-0.4 0.931 124.7 22.2 -84.9 -56.2 -14.4 -11.7 17.0 21 17 A L E - C 0 35A 56 14,-0.2 -3,-2.5 15,-0.1 2,-0.4 -0.910 47.5-160.2-128.6 144.1 -14.0 -12.1 20.8 22 18 A A E -BC 17 34A 0 12,-2.8 12,-2.7 -2,-0.4 2,-0.5 -0.889 22.7-139.7-105.1 147.6 -12.3 -14.2 23.4 23 19 A L E - C 0 33A 13 -7,-1.5 -8,-2.7 -2,-0.4 2,-0.4 -0.951 21.7-161.5-106.6 125.9 -13.7 -14.1 26.9 24 20 A L E -BC 14 32A 1 8,-2.5 8,-2.6 -2,-0.5 2,-0.4 -0.866 3.5-157.0-113.4 143.1 -10.9 -14.1 29.5 25 21 A T E -BC 13 31A 5 -12,-1.8 -12,-2.1 -2,-0.4 6,-0.2 -0.962 1.9-161.3-122.8 135.5 -11.2 -14.9 33.2 26 22 A T > - 0 0 10 4,-1.7 3,-0.8 -2,-0.4 -14,-0.1 -0.499 34.4-110.8 -99.2 176.3 -9.0 -13.9 36.1 27 23 A Q T 3 S+ 0 0 133 -16,-0.3 -15,-0.1 1,-0.2 -1,-0.1 0.645 118.3 59.8 -83.2 -14.7 -8.8 -15.5 39.5 28 24 A D T 3 S- 0 0 69 2,-0.1 -1,-0.2 1085,-0.0 -3,-0.0 0.267 123.0-106.8 -92.3 8.1 -10.4 -12.4 41.1 29 25 A H < + 0 0 17 -3,-0.8 2,-0.4 1,-0.3 -2,-0.1 0.822 65.9 150.1 68.6 39.4 -13.4 -13.1 38.9 30 26 A H - 0 0 24 680,-0.0 -4,-1.7 2,-0.0 2,-0.5 -0.800 31.9-154.0 -86.4 139.2 -13.2 -10.4 36.3 31 27 A V E -C 25 0A 59 -2,-0.4 2,-0.5 -6,-0.2 -6,-0.2 -0.978 14.0-165.3-117.5 123.9 -14.6 -11.4 32.9 32 28 A I E -C 24 0A 4 -8,-2.6 -8,-2.5 -2,-0.5 2,-0.6 -0.911 19.9-143.8-120.1 128.8 -13.2 -9.6 29.9 33 29 A E E +C 23 0A 86 -2,-0.5 675,-0.5 675,-0.4 -10,-0.2 -0.787 35.0 178.4 -83.4 121.9 -14.3 -9.2 26.3 34 30 A F E -C 22 0A 0 -12,-2.7 -12,-2.8 -2,-0.6 2,-0.2 -0.978 35.7-104.6-135.0 138.6 -11.1 -9.2 24.2 35 31 A P E >> -C 21 0A 13 0, 0.0 3,-1.3 0, 0.0 4,-0.6 -0.432 23.7-150.3 -60.7 123.2 -10.3 -9.0 20.5 36 32 A T T 34 S+ 0 0 30 -16,-1.9 3,-0.5 1,-0.3 -15,-0.1 0.764 93.8 64.4 -66.3 -25.7 -9.2 -12.4 19.3 37 33 A V T 34 S+ 0 0 42 -17,-0.4 -1,-0.3 1,-0.2 -16,-0.1 0.609 99.3 53.1 -76.0 -12.5 -6.9 -10.8 16.7 38 34 A L T <4 S+ 0 0 14 -3,-1.3 -1,-0.2 2,-0.0 -2,-0.2 0.614 90.1 92.3 -96.0 -17.0 -4.8 -9.3 19.4 39 35 A L S < S- 0 0 13 -4,-0.6 691,-0.0 -3,-0.5 690,-0.0 -0.401 92.3 -90.5 -68.5 154.3 -4.2 -12.6 21.2 40 36 A P > - 0 0 11 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 -0.019 41.5 -98.5 -62.8 177.6 -1.1 -14.4 20.1 41 37 A E T 3 S+ 0 0 157 1,-0.2 3,-0.3 2,-0.1 -2,-0.1 0.886 115.1 36.0 -71.4 -47.8 -1.0 -17.0 17.3 42 38 A N T 3 S+ 0 0 104 1,-0.2 -1,-0.2 639,-0.0 -3,-0.0 0.412 79.3 126.0 -84.0 4.7 -1.3 -20.4 18.9 43 39 A V < + 0 0 4 -3,-0.6 4,-0.3 1,-0.1 -1,-0.2 0.551 32.1 163.0 -55.7 -18.0 -3.6 -19.2 21.7 44 40 A K - 0 0 153 -3,-0.3 2,-0.3 2,-0.1 -1,-0.1 -0.047 48.0 -64.0 51.8-132.8 -6.4 -21.8 21.2 45 41 A A S S+ 0 0 34 1,-0.1 -30,-0.2 -28,-0.0 3,-0.1 -0.974 113.9 35.5-152.2 153.5 -8.8 -22.1 24.1 46 42 A G S S+ 0 0 61 -32,-3.3 2,-0.2 -2,-0.3 -31,-0.1 0.741 93.3 133.5 70.4 22.3 -8.4 -23.2 27.7 47 43 A S - 0 0 3 -33,-0.4 -33,-3.9 -4,-0.3 2,-0.5 -0.626 54.6-124.6-106.5 164.2 -5.0 -21.5 27.5 48 44 A I E -A 13 0A 8 683,-0.4 683,-2.8 -35,-0.2 2,-0.3 -0.925 24.9-176.8-119.1 128.8 -3.2 -19.1 29.8 49 45 A I E -AD 12 730A 0 -37,-2.6 -37,-2.7 -2,-0.5 2,-0.5 -0.919 19.5-136.8-125.8 148.0 -1.8 -15.7 28.9 50 46 A K E -AD 11 729A 64 679,-4.0 679,-2.5 -2,-0.3 2,-0.6 -0.902 13.9-161.6-104.7 127.0 0.1 -13.0 30.7 51 47 A M E -AD 10 728A 1 -41,-2.5 -41,-2.5 -2,-0.5 2,-0.8 -0.935 2.0-167.8-110.1 116.7 -0.9 -9.4 30.3 52 48 A Q E -AD 9 727A 49 675,-2.4 675,-1.7 -2,-0.6 2,-0.7 -0.862 8.9-165.1-106.1 98.3 1.8 -6.8 31.2 53 49 A V E +AD 8 726A 0 -45,-2.7 -45,-2.3 -2,-0.8 2,-0.3 -0.759 15.7 167.8 -92.1 114.2 0.1 -3.4 31.3 54 50 A S E - D 0 725A 16 671,-2.4 671,-3.5 -2,-0.7 2,-0.2 -0.785 27.6-122.9-119.9 165.4 2.5 -0.5 31.4 55 51 A Q E - D 0 724A 23 -2,-0.3 2,-0.3 669,-0.3 669,-0.2 -0.466 12.2-144.0 -97.7 173.8 2.1 3.2 30.9 56 52 A N E + D 0 723A 29 667,-1.7 667,-0.7 -2,-0.2 4,-0.3 -0.927 19.7 172.3-141.1 121.1 3.7 5.6 28.4 57 53 A L S > S+ 0 0 82 -2,-0.3 4,-1.0 2,-0.1 -1,-0.1 0.530 77.8 59.8-105.1 -9.3 4.6 9.1 29.3 58 54 A E H > S+ 0 0 103 2,-0.2 4,-1.6 1,-0.1 -1,-0.1 0.880 106.1 46.3 -82.3 -43.6 6.5 10.0 26.2 59 55 A E H > S+ 0 0 40 2,-0.2 4,-2.5 1,-0.2 -2,-0.1 0.714 107.1 60.6 -72.5 -21.8 3.6 9.4 23.8 60 56 A E H > S+ 0 0 10 -4,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.938 110.2 38.8 -69.5 -47.6 1.3 11.4 26.2 61 57 A K H X S+ 0 0 120 -4,-1.0 4,-2.6 2,-0.2 -2,-0.2 0.781 114.5 57.6 -72.1 -26.5 3.4 14.6 25.8 62 58 A K H X S+ 0 0 126 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.962 110.7 40.9 -63.2 -53.3 3.8 13.7 22.1 63 59 A Q H X S+ 0 0 59 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.789 113.8 54.7 -66.1 -29.9 0.0 13.6 21.6 64 60 A R H X S+ 0 0 120 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.958 109.8 45.6 -66.6 -51.2 -0.3 16.7 23.8 65 61 A N H X S+ 0 0 114 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.739 114.4 50.5 -63.0 -25.2 2.2 18.6 21.7 66 62 A H H X S+ 0 0 60 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.928 110.9 47.6 -75.1 -48.0 0.4 17.4 18.6 67 63 A F H X S+ 0 0 29 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.925 112.1 48.5 -58.5 -51.4 -3.0 18.4 19.9 68 64 A K H X S+ 0 0 145 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.892 113.2 47.8 -57.4 -42.9 -1.9 21.9 20.9 69 65 A S H X S+ 0 0 65 -4,-1.1 4,-1.8 -5,-0.2 -1,-0.2 0.889 111.9 49.7 -68.2 -40.1 -0.2 22.5 17.5 70 66 A I H X S+ 0 0 17 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.956 113.8 45.0 -60.8 -52.0 -3.3 21.2 15.6 71 67 A Q H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.887 112.9 50.8 -59.9 -41.9 -5.6 23.5 17.5 72 68 A A H X S+ 0 0 53 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.834 109.5 52.3 -64.9 -33.0 -3.3 26.5 17.2 73 69 A K H X S+ 0 0 74 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.920 109.2 48.2 -68.5 -45.3 -3.1 25.8 13.4 74 70 A I H X S+ 0 0 4 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.922 112.3 49.0 -60.2 -45.6 -6.9 25.8 13.2 75 71 A L H < S+ 0 0 57 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.855 110.8 52.6 -61.1 -35.8 -7.1 29.0 15.2 76 72 A E H < S+ 0 0 126 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.935 117.8 34.9 -65.2 -49.0 -4.4 30.4 12.8 77 73 A K H < S+ 0 0 91 -4,-2.6 2,-0.3 1,-0.2 -2,-0.2 0.991 122.2 32.6 -69.6 -79.5 -6.3 29.6 9.6 78 74 A Y S < S- 0 0 37 -4,-1.2 -1,-0.2 -5,-0.1 0, 0.0 -0.641 116.3 -3.9 -87.7 135.4 -10.0 30.0 10.4 79 75 A G 0 0 15 -2,-0.3 236,-0.1 1,-0.1 235,-0.1 0.064 360.0 360.0 74.2 169.7 -11.1 32.7 12.8 80 76 A T 0 0 136 234,-0.3 -1,-0.1 0, 0.0 238,-0.1 -0.552 360.0 360.0 175.7 360.0 -9.0 35.1 15.0 81 !* 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 82 2 B L 0 0 136 0, 0.0 2,-0.4 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 28.9 -59.5 27.2 6.9 83 3 B S - 0 0 50 62,-0.1 2,-3.5 63,-0.0 3,-0.1 -0.988 360.0 -22.4-139.1 127.6 -62.7 25.9 8.4 84 4 B Q S > S+ 0 0 122 -2,-0.4 3,-2.5 1,-0.1 62,-0.0 -0.330 115.5 92.6 72.9 -62.5 -64.2 22.4 8.3 85 5 B T T 3 S+ 0 0 41 -2,-3.5 -1,-0.1 1,-0.3 346,-0.1 -0.237 91.2 25.5 -50.2 152.0 -62.0 21.8 5.3 86 6 B S T 3 S+ 0 0 9 344,-0.2 -1,-0.3 536,-0.1 -2,-0.1 0.443 98.8 111.3 65.4 -4.1 -58.8 20.3 6.6 87 7 B I < - 0 0 42 -3,-2.5 -1,-0.1 134,-0.1 2,-0.1 -0.854 45.0-179.2-107.3 103.2 -60.6 19.0 9.7 88 8 B P - 0 0 4 0, 0.0 2,-0.3 0, 0.0 34,-0.3 -0.360 1.7-174.0 -79.0 165.6 -60.9 15.1 9.9 89 9 B E - 0 0 99 339,-0.3 339,-0.7 32,-0.1 2,-0.4 -0.958 21.8-126.8-154.6 159.2 -62.6 13.1 12.6 90 10 B V B -H 427 0B 5 -2,-0.3 337,-0.1 337,-0.1 32,-0.1 -0.877 37.7-105.4-103.0 138.3 -63.1 9.5 13.5 91 11 B K - 0 0 101 335,-0.6 2,-0.8 -2,-0.4 3,-0.1 -0.334 32.8-127.4 -59.0 142.5 -66.6 8.2 14.1 92 12 B E - 0 0 86 1,-0.2 3,-0.2 5,-0.0 -1,-0.1 -0.842 18.2-167.7-101.4 107.9 -67.2 7.6 17.8 93 13 B D S S+ 0 0 140 -2,-0.8 2,-0.3 1,-0.3 -1,-0.2 0.837 88.2 8.2 -66.6 -35.6 -68.5 4.1 18.5 94 14 B V S > S- 0 0 97 -3,-0.1 3,-0.6 0, 0.0 -1,-0.3 -0.969 97.4-105.1-133.4 140.4 -69.4 5.2 22.0 95 15 B I T 3 S+ 0 0 147 -2,-0.3 -2,-0.0 1,-0.3 -3,-0.0 -0.449 110.2 25.7 -61.0 132.3 -69.2 8.9 22.9 96 16 B G T 3 S+ 0 0 44 -2,-0.1 -1,-0.3 4,-0.0 4,-0.2 0.924 76.1 132.0 73.7 45.7 -66.1 9.2 25.1 97 17 B Y <> + 0 0 85 -3,-0.6 4,-1.4 3,-0.1 -2,-0.1 0.713 68.6 57.7 -87.1 -28.0 -64.2 6.2 23.7 98 18 B A H > S+ 0 0 4 -4,-0.2 4,-1.2 2,-0.2 3,-0.4 0.989 99.4 45.3 -69.5 -71.0 -61.1 8.3 23.3 99 19 B L H > S+ 0 0 37 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.723 112.9 55.2 -53.9 -25.7 -60.1 9.8 26.6 100 20 B H H > S+ 0 0 118 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.950 107.3 47.8 -69.1 -51.1 -60.6 6.4 28.3 101 21 B Q H X S+ 0 0 34 -4,-1.4 4,-1.0 -3,-0.4 -2,-0.2 0.626 113.8 50.1 -64.4 -15.6 -58.2 4.8 25.8 102 22 B R H X S+ 0 0 0 -4,-1.2 4,-0.6 2,-0.2 -2,-0.2 0.918 107.6 52.1 -81.0 -57.3 -55.8 7.6 26.6 103 23 B R H < S+ 0 0 78 -4,-2.7 3,-0.4 1,-0.2 4,-0.2 0.776 113.1 44.9 -43.8 -40.9 -56.2 7.2 30.3 104 24 B A H >< S+ 0 0 67 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.972 112.3 50.5 -72.5 -52.4 -55.3 3.5 30.1 105 25 B R H >< S+ 0 0 79 -4,-1.0 3,-1.3 1,-0.3 -2,-0.2 0.365 82.2 90.3 -72.5 6.1 -52.4 3.9 27.7 106 26 B V G >< S+ 0 0 5 -4,-0.6 3,-0.9 -3,-0.4 -1,-0.3 0.849 76.1 71.9 -63.6 -30.4 -50.7 6.6 29.8 107 27 B G G < S+ 0 0 58 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.437 100.7 42.4 -68.3 0.2 -49.0 3.6 31.4 108 28 B Q G < S+ 0 0 147 -3,-1.3 2,-0.5 2,-0.1 -1,-0.3 -0.310 78.6 129.5-142.2 57.6 -46.9 3.1 28.3 109 29 B F < + 0 0 28 -3,-0.9 2,-0.2 49,-0.1 49,-0.0 -0.947 25.5 166.6-117.4 114.1 -45.7 6.5 27.1 110 30 B Q > + 0 0 137 -2,-0.5 3,-1.3 142,-0.0 -2,-0.1 -0.598 46.3 3.8-115.0 179.8 -42.1 7.1 26.4 111 31 B D T 3 S- 0 0 67 1,-0.2 142,-0.1 -2,-0.2 -2,-0.0 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S+ 0 0 16 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.894 111.5 45.2 -62.3 -41.8 -29.7 30.0 -10.9 603 646 B N H X S+ 0 0 76 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.920 114.2 47.5 -69.9 -44.4 -32.9 31.6 -12.2 604 647 B D H X S+ 0 0 108 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.948 114.2 48.1 -59.0 -49.9 -34.1 28.4 -13.9 605 648 B I H X S+ 0 0 17 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.872 111.1 51.9 -57.1 -41.0 -33.3 26.5 -10.8 606 649 B D H X S+ 0 0 3 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.948 111.4 44.8 -62.3 -50.9 -35.1 29.1 -8.7 607 650 B S H X S+ 0 0 29 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.900 113.7 50.1 -61.3 -42.1 -38.3 29.0 -10.7 608 651 B S H X S+ 0 0 25 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.873 109.6 53.3 -62.5 -37.7 -38.3 25.2 -10.8 609 652 B I H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.920 110.7 45.2 -63.1 -46.8 -37.8 25.3 -7.0 610 653 B I H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.959 112.7 50.1 -61.1 -52.7 -40.9 27.6 -6.5 611 654 B D H X S+ 0 0 40 -4,-2.7 4,-1.1 1,-0.3 -1,-0.2 0.831 113.4 47.5 -56.2 -35.0 -43.0 25.5 -8.9 612 655 B L H X S+ 0 0 5 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.3 0.829 110.9 52.5 -75.1 -32.9 -42.0 22.4 -7.0 613 656 B V H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.980 106.1 50.5 -64.9 -57.2 -42.7 24.0 -3.6 614 657 B V H X S+ 0 0 6 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.842 109.3 52.1 -53.8 -40.1 -46.2 25.2 -4.3 615 658 B K H X S+ 0 0 75 -4,-1.1 4,-2.3 -5,-0.3 -1,-0.2 0.937 113.5 42.3 -62.0 -49.5 -47.3 21.7 -5.6 616 659 B I H X S+ 0 0 1 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.869 112.7 53.7 -66.9 -38.9 -46.0 19.9 -2.5 617 660 B C H X S+ 0 0 6 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.889 110.6 48.2 -62.2 -39.5 -47.4 22.6 -0.1 618 661 B C H X S+ 0 0 35 -4,-2.2 4,-2.5 -5,-0.3 5,-0.2 0.919 109.1 52.3 -64.7 -44.7 -50.7 22.1 -1.8 619 662 B W H X S+ 0 0 39 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.788 111.2 48.1 -63.9 -28.1 -50.4 18.3 -1.4 620 663 B N H <>S+ 0 0 15 -4,-1.7 5,-3.1 2,-0.2 -1,-0.2 0.754 109.5 52.8 -80.4 -27.6 -49.7 18.8 2.3 621 664 B H H ><5S+ 0 0 9 -4,-1.4 3,-1.6 3,-0.2 -2,-0.2 0.879 105.6 52.4 -73.4 -39.3 -52.7 21.2 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24.0 1.9 632 675 B I H X S+ 0 0 3 -4,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.914 111.2 51.0 -60.0 -44.1 -39.5 27.0 4.1 633 676 B D H X S+ 0 0 33 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.951 113.1 43.6 -56.7 -54.6 -35.8 26.3 3.5 634 677 B A H X S+ 0 0 1 -4,-2.8 4,-1.6 1,-0.2 3,-0.4 0.947 115.3 46.5 -58.4 -53.4 -36.2 26.1 -0.3 635 678 B L H X S+ 0 0 1 -4,-2.7 4,-1.6 1,-0.3 -1,-0.2 0.805 109.4 57.3 -63.0 -29.1 -38.5 29.1 -0.7 636 679 B S H X S+ 0 0 25 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.3 0.877 102.1 55.1 -63.7 -40.2 -36.1 31.0 1.6 637 680 B V H X S+ 0 0 36 -4,-1.7 4,-1.9 -3,-0.4 -2,-0.2 0.889 106.5 49.9 -62.6 -40.6 -33.3 30.3 -0.8 638 681 B A H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.891 108.4 54.6 -62.9 -40.0 -35.2 31.8 -3.6 639 682 B V H < S+ 0 0 8 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.875 106.2 50.3 -62.7 -40.5 -35.8 34.9 -1.4 640 683 B Q H < S+ 0 0 143 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.921 114.2 45.4 -63.5 -42.8 -32.1 35.3 -0.8 641 684 B D H < S+ 0 0 46 -4,-1.9 2,-0.3 -5,-0.2 -2,-0.2 0.882 127.6 18.4 -64.8 -41.3 -31.5 35.2 -4.6 642 685 B M S < S- 0 0 18 -4,-2.7 -1,-0.1 -5,-0.1 5,-0.1 -0.924 96.2 -81.1-135.5 156.9 -34.4 37.5 -5.4 643 686 B G > - 0 0 41 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.238 35.4-128.3 -61.6 142.7 -36.5 40.1 -3.7 644 687 B I H > S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.876 111.0 51.0 -61.7 -40.2 -39.4 38.6 -1.6 645 688 B T H > S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 111.7 48.9 -62.5 -40.9 -41.9 40.9 -3.3 646 689 B K H > S+ 0 0 118 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.892 109.9 51.5 -63.4 -41.0 -40.5 39.8 -6.6 647 690 B V H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.892 109.0 50.8 -63.1 -40.8 -40.8 36.1 -5.5 648 691 B H H X S+ 0 0 59 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.885 107.2 54.9 -63.0 -40.0 -44.4 36.7 -4.5 649 692 B N H X S+ 0 0 96 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.881 102.7 54.9 -62.6 -40.7 -45.1 38.2 -7.9 650 693 B E H X S+ 0 0 46 -4,-1.8 4,-2.3 2,-0.2 5,-0.3 0.921 113.4 42.1 -59.9 -43.9 -43.8 35.1 -9.7 651 694 B I H X S+ 0 0 2 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.905 111.6 54.2 -69.4 -44.5 -46.2 32.9 -7.8 652 695 B A H < S+ 0 0 41 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.850 116.3 41.4 -56.2 -35.4 -49.1 35.4 -8.1 653 696 B S H < S+ 0 0 95 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.976 119.9 37.2 -74.9 -73.6 -48.6 35.3 -11.8 654 697 B R H < S+ 0 0 178 -4,-2.3 2,-0.2 -5,-0.2 -2,-0.2 0.625 123.3 42.7 -58.9 -17.3 -47.9 31.6 -12.6 655 698 B F S < S- 0 0 51 -4,-2.2 -44,-0.0 -5,-0.3 5,-0.0 -0.748 95.2 -85.7-122.5 174.7 -50.5 30.4 -10.0 656 699 B S > - 0 0 60 -2,-0.2 4,-1.3 1,-0.1 -1,-0.2 -0.070 38.7-110.3 -69.7 177.3 -54.0 31.5 -8.9 657 700 B D H > S+ 0 0 118 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.918 115.0 47.3 -79.6 -47.7 -54.8 34.2 -6.4 658 701 B P H > S+ 0 0 64 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.831 112.8 53.5 -63.8 -27.0 -56.1 32.1 -3.5 659 702 B V H > S+ 0 0 32 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.900 106.8 49.6 -68.7 -43.2 -53.0 29.8 -4.0 660 703 B A H X S+ 0 0 4 -4,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.863 110.7 51.4 -61.5 -36.0 -50.7 32.9 -3.8 661 704 B Q H X S+ 0 0 100 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.892 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0.641 91.0-138.4-106.0 -19.1 -41.6 -43.4 36.2 991 283 D K T <5 + 0 0 55 -4,-2.5 2,-1.8 -5,-0.2 3,-0.3 0.865 41.5 160.8 56.2 37.5 -38.2 -45.1 36.7 992 284 D S >< + 0 0 3 -5,-0.6 4,-1.3 1,-0.2 -1,-0.2 -0.516 10.1 151.2 -84.1 67.9 -38.4 -46.2 33.1 993 285 D L H > + 0 0 39 -2,-1.8 4,-2.6 1,-0.2 5,-0.2 0.932 60.0 52.1 -67.4 -49.9 -34.6 -46.8 33.0 994 286 D E H > S+ 0 0 113 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.860 111.2 44.1 -61.5 -41.7 -34.4 -49.6 30.5 995 287 D A H > S+ 0 0 29 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.922 115.9 46.7 -71.7 -44.4 -36.3 -48.0 27.7 996 288 D C H X S+ 0 0 0 -4,-1.3 4,-2.4 1,-0.2 5,-0.2 0.897 113.6 49.8 -63.3 -41.4 -34.7 -44.6 28.0 997 289 D R H X S+ 0 0 82 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.903 112.1 49.4 -62.3 -42.9 -31.3 -46.4 28.2 998 290 D K H X S+ 0 0 130 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.975 115.6 39.5 -60.6 -58.7 -32.1 -48.4 25.1 999 291 D M H X S+ 0 0 17 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.877 117.2 50.2 -62.3 -40.5 -33.3 -45.4 22.9 1000 292 D L H X S+ 0 0 0 -4,-2.4 4,-1.5 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111.2 50.8 -57.5 -42.0 -17.7 -43.4 35.1 1030 322 D L H X S+ 0 0 27 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.936 110.1 46.3 -62.3 -51.1 -19.5 -42.0 32.2 1031 323 D I H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.908 112.2 52.6 -58.4 -43.5 -18.6 -38.3 33.0 1032 324 D N H X S+ 0 0 37 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.881 109.4 49.2 -58.6 -40.0 -15.0 -39.4 33.5 1033 325 D E H X S+ 0 0 93 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.883 111.7 48.6 -68.8 -38.2 -15.0 -41.1 30.1 1034 326 D Q H < S+ 0 0 21 -4,-2.3 8,-0.4 1,-0.2 -2,-0.2 0.818 120.2 36.5 -70.5 -30.7 -16.4 -38.0 28.5 1035 327 D L H < S+ 0 0 21 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.549 126.5 32.3-100.6 -9.4 -13.9 -35.6 30.1 1036 328 D N H < S+ 0 0 62 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.1 0.224 92.5 94.9-136.8 16.8 -10.8 -37.8 30.1 1037 329 D S >< - 0 0 34 -4,-0.8 3,-0.6 1,-0.1 6,-0.2 -0.872 59.1-147.3-112.9 145.1 -10.7 -40.1 27.1 1038 330 D P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.717 108.3 60.8 -69.7 -22.1 -9.1 -39.6 23.7 1039 331 D S T 3 S+ 0 0 87 -6,-0.1 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2,-0.1 4,-1.6 3,-0.1 -1,-0.2 0.521 100.6 49.3 -99.8 -27.2 -29.7 -5.5 41.2 1219 540 D L H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.803 107.0 54.5 -72.2 -33.5 -27.6 -6.7 44.1 1220 541 D D H > S+ 0 0 63 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.928 108.9 47.6 -64.7 -45.6 -28.0 -3.3 45.7 1221 542 D N H > S+ 0 0 84 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.867 108.8 54.6 -62.5 -37.9 -31.8 -3.7 45.4 1222 543 D L H X S+ 0 0 4 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.845 106.9 52.0 -62.9 -34.2 -31.3 -7.2 46.9 1223 544 D F H X S+ 0 0 4 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.904 109.7 47.9 -67.8 -42.9 -29.5 -5.5 49.8 1224 545 D M H X S+ 0 0 87 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.928 112.8 48.3 -61.5 -46.2 -32.4 -3.1 50.3 1225 546 D L H X S+ 0 0 4 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.850 109.5 53.4 -62.5 -35.6 -34.9 -6.0 50.2 1226 547 D L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.910 108.8 50.7 -64.9 -41.6 -32.7 -7.9 52.6 1227 548 D Y H X S+ 0 0 101 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.950 112.0 44.4 -59.2 -53.6 -32.9 -4.9 54.9 1228 549 D E H X 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66.4 1238 559 D S H X S+ 0 0 70 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.980 110.2 50.5 -68.5 -55.7 -40.2 -8.9 68.9 1239 560 D E H < S+ 0 0 115 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.669 116.3 44.1 -57.6 -19.5 -43.9 -8.1 69.0 1240 561 D Q H >X S+ 0 0 67 -4,-1.4 4,-1.3 -5,-0.2 3,-0.7 0.834 111.3 50.8 -90.8 -40.8 -44.5 -11.9 69.6 1241 562 D L H 3< S+ 0 0 134 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.722 101.6 64.0 -70.4 -21.8 -41.7 -12.4 72.2 1242 563 D Y T 3< S+ 0 0 152 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.1 0.813 100.5 52.5 -68.7 -30.7 -43.1 -9.4 74.1 1243 564 D F T X4 S+ 0 0 80 -3,-0.7 3,-2.4 -4,-0.3 4,-0.4 0.932 74.3 169.1 -71.2 -48.4 -46.3 -11.4 74.7 1244 565 D D T 3< S- 0 0 96 -4,-1.3 -3,-0.1 1,-0.3 -1,-0.1 0.668 79.6 -59.4 49.7 30.2 -44.4 -14.4 76.1 1245 566 D A T 3 S+ 0 0 96 2,-0.3 -1,-0.3 1,-0.0 -2,-0.1 0.915 100.6 131.4 57.0 44.1 -47.6 -16.0 77.2 1246 567 D Q < 0 0 108 -3,-2.4 -2,-0.1 1,-0.4 -3,-0.1 0.811 360.0 360.0 -74.9 -38.0 -48.5 -13.1 79.5 1247 568 D N 0 0 137 -4,-0.4 -1,-0.4 0, 0.0 -2,-0.3 -0.978 360.0 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0.796 108.2 54.0 -66.9 -33.3 -49.8 -49.6 54.8 1364 690 D V H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.925 109.8 48.1 -68.0 -43.6 -49.9 -46.1 53.4 1365 691 D H H X S+ 0 0 74 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.821 111.8 50.7 -64.5 -32.4 -53.4 -46.9 52.0 1366 692 D N H X S+ 0 0 100 -4,-1.7 4,-1.6 -5,-0.2 -2,-0.2 0.932 108.4 51.5 -66.8 -46.4 -54.4 -48.3 55.4 1367 693 D E H X S+ 0 0 42 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.794 113.4 44.4 -63.3 -30.4 -53.1 -45.2 57.2 1368 694 D I H X S+ 0 0 0 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.749 108.2 58.4 -83.5 -24.9 -55.2 -43.0 54.8 1369 695 D A H < S+ 0 0 48 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.788 105.9 53.1 -68.9 -27.5 -58.2 -45.4 55.2 1370 696 D S H < S+ 0 0 88 -4,-1.6 -2,-0.2 1,-0.1 -3,-0.1 0.993 116.3 29.7 -70.5 -65.6 -58.0 -44.8 58.9 1371 697 D R H < S+ 0 0 105 -4,-1.2 2,-0.3 2,-0.0 -2,-0.1 0.640 118.6 58.0 -73.3 -17.7 -58.1 -41.0 59.3 1372 698 D F S < S- 0 0 23 -4,-1.2 -224,-0.0 -5,-0.1 -41,-0.0 -0.817 78.6-109.7-124.3 158.6 -60.2 -40.3 56.1 1373 699 D S > - 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41.7 1383 709 D N H <5S- 0 0 18 -4,-2.8 -38,-0.3 -5,-0.1 -2,-0.2 0.475 136.2 -3.3 -80.2 -7.3 -54.7 -38.9 41.7 1384 710 D I T X5S+ 0 0 2 -4,-1.6 4,-1.5 -5,-0.2 3,-0.3 0.423 122.1 54.0-139.1 -60.5 -51.5 -40.2 43.3 1385 711 D L H >XS+ 0 0 58 -5,-2.0 4,-2.8 -6,-0.3 5,-1.0 0.927 108.6 49.5 -64.8 -42.9 -52.4 -45.7 41.4 1387 713 D F H 45S+ 0 0 0 -5,-0.4 4,-0.2 -3,-0.3 -2,-0.2 0.883 113.3 45.5 -59.8 -43.3 -49.5 -44.1 39.5 1388 714 D L H <5S+ 0 0 7 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.810 115.7 49.7 -70.4 -29.3 -47.0 -45.0 42.2 1389 715 D K H <5S- 0 0 123 -4,-1.9 5,-0.2 -5,-0.2 -2,-0.2 0.963 135.9 -4.4 -76.5 -55.1 -48.5 -48.5 42.4 1390 716 D N T <5S+ 0 0 83 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.1 0.709 117.8 73.0-114.2 -28.8 -48.6 -49.6 38.8 1391 717 D F S