==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 01-AUG-08 3E13 . COMPND 2 MOLECULE: PUTATIVE IRON-UPTAKE ABC TRANSPORT SYSTEM, . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR M.E.P.MURPHY,S.A.L.TOM-YEW,E.G.BEKKER . 317 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14215.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 16 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 2 0 2 2 1 3 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 0 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 PARALLEL BRIDGES PER LADDER . 1 2 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 0 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 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 5 X S 0 0 129 0, 0.0 27,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -55.0 6.0 58.4 32.2 2 6 X E E -a 28 0A 95 25,-0.2 2,-0.3 2,-0.0 27,-0.2 -0.926 360.0-169.2-123.2 156.0 4.3 55.7 30.1 3 7 X L E -a 29 0A 0 25,-1.9 27,-2.8 -2,-0.3 2,-0.6 -0.963 12.1-150.5-143.3 122.4 5.5 53.8 26.9 4 8 X N E -a 30 0A 23 -2,-0.3 49,-2.9 47,-0.3 50,-1.9 -0.877 14.9-171.3-102.7 110.5 3.2 51.6 24.9 5 9 X I E -ab 31 54A 0 25,-2.6 27,-3.1 -2,-0.6 2,-0.6 -0.926 13.5-165.4-107.0 125.3 4.9 48.7 23.1 6 10 X Y E -ab 32 55A 6 48,-3.0 50,-2.4 -2,-0.5 2,-0.4 -0.967 25.7-174.3-101.9 115.8 3.1 46.4 20.6 7 11 X S E -ab 33 56A 0 25,-3.0 27,-1.5 -2,-0.6 50,-0.2 -0.958 37.0-176.3-127.5 128.1 5.4 43.4 20.2 8 12 X A + 0 0 10 48,-3.0 28,-0.2 -2,-0.4 50,-0.2 0.256 61.8 108.5 -98.2 6.5 5.4 40.4 18.0 9 13 X R - 0 0 2 47,-0.3 25,-0.1 48,-0.1 -2,-0.1 -0.283 54.2-161.8 -67.6 167.2 8.5 39.0 19.8 10 14 X H + 0 0 54 23,-0.1 2,-0.4 -2,-0.1 -1,-0.0 -0.236 39.4 122.8-156.2 52.3 7.7 36.0 22.0 11 15 X Y > - 0 0 6 1,-0.1 3,-0.8 0, 0.0 4,-0.4 -0.965 57.7-143.0-132.8 136.9 10.6 35.7 24.5 12 16 X N T >> S+ 0 0 135 -2,-0.4 3,-1.3 1,-0.2 4,-0.8 0.829 99.9 69.1 -62.6 -32.1 11.0 35.6 28.2 13 17 X A H 3> S+ 0 0 12 1,-0.3 4,-1.6 2,-0.2 3,-0.3 0.824 87.8 65.5 -58.2 -29.4 14.2 37.5 27.9 14 18 X D H <> S+ 0 0 9 -3,-0.8 4,-2.5 1,-0.2 -1,-0.3 0.825 91.9 61.7 -63.9 -32.9 12.3 40.6 26.8 15 19 X F H <> S+ 0 0 97 -3,-1.3 4,-2.3 -4,-0.4 -1,-0.2 0.909 104.5 48.3 -60.4 -42.0 10.6 40.9 30.3 16 20 X E H X S+ 0 0 82 -4,-0.8 4,-2.5 -3,-0.3 -1,-0.2 0.889 111.0 51.2 -61.5 -45.2 14.0 41.3 31.9 17 21 X I H X S+ 0 0 2 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.919 109.9 49.0 -60.9 -41.8 15.0 43.9 29.3 18 22 X I H X S+ 0 0 14 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.919 109.1 52.3 -68.2 -41.1 11.8 45.9 29.9 19 23 X K H X S+ 0 0 126 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.924 107.7 52.9 -60.1 -41.6 12.3 45.8 33.7 20 24 X K H X S+ 0 0 45 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.884 108.6 49.3 -62.8 -37.1 15.8 47.2 33.2 21 25 X F H X S+ 0 0 2 -4,-1.8 4,-2.8 2,-0.2 6,-0.4 0.909 111.8 48.7 -64.4 -43.8 14.4 50.1 31.1 22 26 X E H X S+ 0 0 46 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.929 113.0 48.0 -62.4 -43.8 11.8 50.8 33.7 23 27 X E H < S+ 0 0 142 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.890 115.1 45.1 -64.1 -42.1 14.4 50.8 36.5 24 28 X K H < S+ 0 0 159 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.912 128.5 21.9 -67.5 -43.9 16.8 53.0 34.5 25 29 X T H < S- 0 0 50 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.598 89.9-125.3-106.5 -18.3 14.3 55.6 33.3 26 30 X G < + 0 0 66 -4,-2.5 2,-0.4 -5,-0.3 -4,-0.2 0.498 65.8 136.7 76.6 7.1 11.3 55.5 35.7 27 31 X I - 0 0 14 -6,-0.4 2,-0.5 -5,-0.1 -1,-0.3 -0.705 53.1-132.8 -87.7 132.1 9.1 55.1 32.6 28 32 X K E -a 2 0A 107 -27,-2.6 -25,-1.9 -2,-0.4 2,-0.4 -0.754 18.0-147.6 -86.3 127.3 6.3 52.5 32.9 29 33 X V E -a 3 0A 4 -2,-0.5 2,-0.6 -27,-0.2 -25,-0.2 -0.803 6.7-159.1 -97.4 127.7 6.1 50.1 29.9 30 34 X N E -a 4 0A 51 -27,-2.8 -25,-2.6 -2,-0.4 2,-0.6 -0.963 19.6-161.3-100.9 108.4 2.7 48.7 28.8 31 35 X H E -a 5 0A 52 -2,-0.6 2,-0.5 -27,-0.2 -25,-0.2 -0.857 12.0-174.9-104.7 116.7 3.7 45.6 26.9 32 36 X T E -a 6 0A 44 -27,-3.1 -25,-3.0 -2,-0.6 2,-0.4 -0.966 6.7-168.7-111.3 119.4 1.1 44.1 24.4 33 37 X Q E +a 7 0A 96 -2,-0.5 2,-0.3 -27,-0.2 -25,-0.2 -0.920 24.1 129.0-111.5 132.9 2.2 40.8 22.7 34 38 X A - 0 0 31 -27,-1.5 -2,-0.0 -2,-0.4 5,-0.0 -0.943 62.3 -60.4-161.1 176.7 0.3 39.3 19.8 35 39 X K > - 0 0 131 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.316 48.9-119.8 -63.2 148.0 0.9 37.9 16.4 36 40 X A H > S+ 0 0 6 -28,-0.2 4,-2.6 1,-0.2 5,-0.2 0.876 113.5 54.1 -57.3 -41.9 2.4 40.4 14.0 37 41 X S H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.892 110.2 48.0 -60.3 -37.6 -0.5 40.1 11.6 38 42 X E H > S+ 0 0 100 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.901 113.2 47.9 -69.6 -43.3 -2.9 40.9 14.5 39 43 X L H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.866 111.2 49.2 -67.0 -39.8 -0.8 43.9 15.6 40 44 X I H X S+ 0 0 13 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.923 112.9 47.7 -66.0 -41.9 -0.5 45.4 12.1 41 45 X K H X S+ 0 0 133 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.928 113.3 49.2 -62.0 -45.3 -4.2 45.1 11.6 42 46 X R H X S+ 0 0 100 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.915 109.6 50.2 -60.7 -47.9 -4.8 46.7 15.0 43 47 X L H X S+ 0 0 4 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.888 111.3 50.3 -56.8 -39.8 -2.4 49.5 14.2 44 48 X S H < S+ 0 0 53 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.925 114.8 42.0 -63.1 -48.3 -4.2 50.1 10.9 45 49 X L H < S+ 0 0 137 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.854 116.8 47.2 -67.9 -37.3 -7.7 50.2 12.5 46 50 X E H >< S+ 0 0 55 -4,-2.7 3,-1.5 -5,-0.2 -2,-0.2 0.856 87.0 164.1 -74.5 -33.2 -6.6 52.3 15.5 47 51 X G G >< - 0 0 28 -4,-2.0 3,-2.1 -5,-0.3 -1,-0.2 -0.157 66.9 -7.8 55.9-138.4 -4.7 54.7 13.2 48 52 X S G 3 S+ 0 0 103 1,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.740 134.1 63.1 -63.6 -21.3 -3.8 58.0 14.7 49 53 X N G < S+ 0 0 145 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.464 74.5 120.1 -79.6 -7.5 -5.8 57.1 17.9 50 54 X S < - 0 0 5 -3,-2.1 -7,-0.0 -7,-0.2 190,-0.0 -0.363 60.2-146.4 -61.0 138.6 -3.6 54.2 18.7 51 55 X P + 0 0 73 0, 0.0 193,-0.3 0, 0.0 -47,-0.3 0.634 62.9 121.9 -71.4 -18.4 -1.9 54.4 22.1 52 56 X A + 0 0 0 1,-0.1 -47,-0.2 191,-0.1 3,-0.1 -0.190 32.4 170.9 -49.8 138.9 1.0 52.5 20.6 53 57 X D + 0 0 0 -49,-2.9 187,-1.8 1,-0.3 2,-0.3 0.645 67.2 32.1-109.0 -28.7 4.4 54.2 20.7 54 58 X I E -bC 5 239A 0 -50,-1.9 -48,-3.0 185,-0.3 2,-0.5 -0.984 55.9-159.4-139.3 140.5 6.6 51.3 19.5 55 59 X F E -bC 6 238A 0 183,-2.7 183,-1.8 -2,-0.3 2,-0.4 -0.990 15.7-173.4-118.3 121.1 6.2 48.3 17.2 56 60 X I E +bC 7 237A 8 -50,-2.4 -48,-3.0 -2,-0.5 -47,-0.3 -0.961 7.2 178.4-115.0 133.9 8.7 45.4 17.8 57 61 X T E - C 0 236A 0 179,-2.5 179,-1.4 -2,-0.4 -48,-0.1 -0.807 37.8-140.2-125.0 169.8 8.9 42.4 15.4 58 62 X A S S+ 0 0 4 -2,-0.3 2,-0.3 177,-0.2 177,-0.2 -0.141 88.5 59.5-111.3 30.5 10.9 39.3 15.0 59 63 X D > - 0 0 1 177,-0.1 4,-1.1 1,-0.1 177,-0.1 -0.961 69.4-139.7-163.9 134.9 10.9 39.8 11.2 60 64 X I H >> S+ 0 0 0 -2,-0.3 4,-2.1 1,-0.2 3,-0.5 0.918 103.0 56.2 -61.5 -45.1 12.0 42.4 8.6 61 65 X S H 3> S+ 0 0 0 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.872 101.5 55.9 -67.5 -33.3 9.0 42.0 6.4 62 66 X N H 3> S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.859 108.5 49.2 -60.5 -40.1 6.6 42.8 9.2 63 67 X L H S+ 0 0 0 -4,-1.9 5,-2.3 2,-0.2 6,-0.3 0.922 112.6 49.6 -61.3 -43.1 4.0 48.4 8.7 67 71 X K H ><5S+ 0 0 38 -4,-2.4 3,-1.6 1,-0.2 5,-0.3 0.944 111.9 47.4 -56.9 -47.7 6.0 51.1 7.0 68 72 X N H 3<5S+ 0 0 119 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.659 104.4 60.3 -78.0 -16.4 4.2 50.7 3.8 69 73 X L T 3<5S- 0 0 98 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.306 118.1-113.2 -82.8 0.8 0.8 50.8 5.5 70 74 X G T < 5S+ 0 0 31 -3,-1.6 -3,-0.2 -4,-0.1 -2,-0.2 0.747 81.8 124.0 79.4 25.1 1.8 54.3 6.7 71 75 X L < + 0 0 18 -5,-2.3 170,-2.2 -6,-0.2 171,-0.5 0.500 51.6 70.5 -98.6 -9.8 2.0 53.3 10.3 72 76 X L E -D 240 0A 1 -6,-0.3 168,-0.3 168,-0.3 23,-0.1 -0.669 60.6-145.6-115.7 167.4 5.5 54.3 11.4 73 77 X S E -D 239 0A 24 166,-2.4 166,-0.6 21,-0.3 2,-0.1 -0.984 27.9-105.1-132.6 142.1 7.4 57.5 11.9 74 78 X P - 0 0 69 0, 0.0 2,-0.4 0, 0.0 20,-0.2 -0.383 26.4-160.6 -72.3 146.3 11.1 58.3 11.2 75 79 X V - 0 0 2 18,-2.4 2,-0.7 -2,-0.1 20,-0.1 -0.995 4.8-161.7-126.0 123.3 13.7 58.5 14.0 76 80 X S + 0 0 89 -2,-0.4 2,-0.5 18,-0.0 3,-0.1 -0.900 26.1 162.6-107.2 101.2 17.0 60.3 13.5 77 81 X S > - 0 0 5 -2,-0.7 4,-2.2 1,-0.1 5,-0.2 -0.973 36.1-157.5-126.3 122.1 19.3 59.0 16.3 78 82 X K H > S+ 0 0 185 -2,-0.5 4,-1.8 2,-0.2 5,-0.2 0.852 98.9 56.4 -62.1 -32.5 23.0 59.3 16.3 79 83 X Y H > S+ 0 0 68 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.955 109.4 42.7 -64.9 -52.2 23.1 56.4 18.7 80 84 X L H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.876 115.1 50.2 -62.9 -37.0 21.2 54.1 16.4 81 85 X E H < S+ 0 0 63 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.817 109.7 51.4 -75.9 -26.9 23.1 55.1 13.3 82 86 X E H < S+ 0 0 145 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.889 121.1 30.3 -74.5 -36.5 26.5 54.7 15.0 83 87 X F H < S+ 0 0 45 -4,-1.8 193,-0.2 -5,-0.2 -2,-0.2 0.646 108.7 68.3-104.6 -18.4 25.8 51.2 16.2 84 88 X I S < S- 0 0 1 -4,-2.2 -1,-0.1 -5,-0.2 191,-0.1 -0.935 83.8-125.4-100.1 122.6 23.5 49.7 13.6 85 89 X P > - 0 0 50 0, 0.0 3,-2.3 0, 0.0 -3,-0.1 -0.327 24.1-115.1 -58.7 144.9 25.1 49.2 10.2 86 90 X A G > S+ 0 0 67 1,-0.3 3,-1.5 2,-0.2 -2,-0.0 0.805 114.2 62.3 -55.3 -31.5 23.2 50.9 7.4 87 91 X H G 3 S+ 0 0 116 1,-0.3 210,-0.7 3,-0.0 211,-0.3 0.534 103.4 52.0 -72.3 -3.2 22.3 47.5 5.8 88 92 X L G < S+ 0 0 7 -3,-2.3 9,-2.2 208,-0.1 2,-0.3 0.094 107.2 54.8-120.5 17.1 20.4 46.6 8.9 89 93 X R B < S-E 96 0A 52 -3,-1.5 7,-0.2 7,-0.2 2,-0.2 -0.981 93.0 -86.9-145.9 158.5 18.2 49.7 9.2 90 94 X D > - 0 0 8 5,-2.7 3,-1.8 -2,-0.3 -2,-0.1 -0.432 22.8-140.4 -66.7 134.2 15.7 51.6 6.9 91 95 X K T 3 S+ 0 0 178 1,-0.3 -1,-0.1 -2,-0.2 -4,-0.0 0.862 109.7 51.3 -57.9 -32.6 17.2 54.1 4.6 92 96 X D T 3 S- 0 0 77 3,-0.0 -1,-0.3 1,-0.0 -2,-0.1 0.315 114.9-121.0 -91.4 8.2 14.1 56.2 5.5 93 97 X K S < S+ 0 0 77 -3,-1.8 -18,-2.4 2,-0.2 -2,-0.1 0.669 79.2 116.2 66.7 27.7 14.7 55.8 9.2 94 98 X E S S+ 0 0 37 -20,-0.2 2,-0.3 1,-0.2 -21,-0.3 0.601 74.4 30.0-102.1 -12.8 11.4 54.1 10.1 95 99 X W - 0 0 3 143,-0.1 -5,-2.7 -23,-0.1 2,-0.3 -0.987 61.2-170.8-148.4 152.9 12.7 50.7 11.2 96 100 X F E -EF 89 237A 1 141,-1.9 141,-2.6 -2,-0.3 -7,-0.2 -0.999 24.6-119.2-148.2 132.0 15.9 49.4 12.9 97 101 X A E - F 0 236A 0 -9,-2.2 139,-0.3 -2,-0.3 3,-0.1 -0.526 21.6-179.6 -75.2 144.1 17.3 45.9 13.6 98 102 X I E S+ 0 0 0 137,-3.0 176,-0.7 1,-0.4 2,-0.3 0.577 71.1 2.6-109.6 -24.2 17.9 44.9 17.2 99 103 X T E -GF 273 235A 0 136,-1.6 136,-1.4 174,-0.2 -1,-0.4 -0.977 62.0-132.0-149.9 165.4 19.2 41.4 16.5 100 104 X K E +GF 272 234A 34 172,-2.5 172,-2.6 -2,-0.3 2,-0.3 -0.878 22.2 179.9-113.7 153.7 20.1 39.0 13.7 101 105 X R E - F 0 233A 0 132,-2.4 132,-2.3 -2,-0.3 2,-0.4 -0.975 18.9-135.3-146.6 154.4 19.0 35.4 13.4 102 106 X A E - F 0 232A 0 -2,-0.3 95,-2.3 130,-0.2 2,-0.8 -0.947 9.2-140.3-117.9 135.8 19.6 32.6 10.8 103 107 X R E +H 196 0B 2 128,-1.9 128,-0.5 -2,-0.4 93,-0.3 -0.862 40.1 167.2 -97.2 109.5 16.9 30.3 9.4 104 108 X I E -H 195 0B 0 91,-2.8 91,-2.2 -2,-0.8 2,-0.6 -0.471 40.7-104.9-115.9-178.9 18.7 26.9 9.1 105 109 X I E -HI 194 221B 0 116,-2.2 116,-2.8 89,-0.2 2,-0.3 -0.967 35.8-157.1-114.0 120.6 17.9 23.3 8.6 106 110 X A E -HI 193 220B 0 87,-3.1 87,-2.2 -2,-0.6 2,-0.3 -0.777 11.7-178.4-100.7 141.5 18.2 21.2 11.8 107 111 X Y E - 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0 0 31 -4,-1.9 4,-2.2 -5,-0.6 -1,-0.2 0.009 37.2 -73.0 95.0 164.3 12.9 34.3 -9.1 156 160 X N H > S+ 0 0 73 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.713 123.9 56.1 -75.3 -17.5 9.2 33.6 -8.7 157 161 X K H > S+ 0 0 171 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.915 109.9 44.9 -81.7 -40.1 9.1 30.3 -10.6 158 162 X E H > S+ 0 0 54 -4,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.944 113.0 54.5 -62.0 -42.0 11.7 28.7 -8.5 159 163 X A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.904 110.0 44.6 -55.1 -45.0 9.9 30.1 -5.5 160 164 X K H X S+ 0 0 98 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.920 113.7 49.5 -70.3 -43.4 6.6 28.5 -6.5 161 165 X A H X S+ 0 0 57 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.897 112.5 49.3 -60.3 -39.9 8.2 25.2 -7.3 162 166 X W H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.945 110.9 48.6 -61.6 -48.7 10.0 25.3 -3.9 163 167 X A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.904 112.7 48.9 -60.4 -43.9 6.8 26.1 -2.0 164 168 X K H X S+ 0 0 136 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.916 113.4 45.8 -62.4 -43.9 5.0 23.3 -3.8 165 169 X G H X S+ 0 0 9 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.891 111.3 51.3 -69.7 -43.5 7.7 20.7 -3.1 166 170 X V H X S+ 0 0 1 -4,-2.8 4,-0.9 2,-0.2 -2,-0.2 0.953 110.9 49.9 -55.7 -46.2 8.1 21.7 0.5 167 171 X L H >< S+ 0 0 50 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.929 111.9 47.5 -58.1 -48.1 4.3 21.3 1.0 168 172 X E H 3< S+ 0 0 106 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.831 112.2 51.4 -63.5 -33.1 4.4 17.9 -0.7 169 173 X N H 3< S+ 0 0 3 -4,-2.0 -36,-1.3 -39,-0.2 -38,-1.0 0.522 76.6 124.6 -83.6 -10.4 7.3 16.8 1.5 170 174 X L B << -j 133 0B 24 -3,-0.9 -36,-0.2 -4,-0.9 3,-0.1 -0.268 53.9-149.3 -58.8 132.6 6.0 17.7 4.9 171 175 X A S S+ 0 0 35 -38,-3.1 2,-0.3 1,-0.2 -1,-0.2 0.821 83.7 0.4 -64.2 -35.0 6.0 14.8 7.3 172 176 X T S S- 0 0 33 -39,-0.4 -37,-0.3 -37,-0.1 -1,-0.2 -0.965 91.8 -83.0-144.4 156.5 2.9 16.4 9.0 173 177 X N S S- 0 0 142 -2,-0.3 -36,-0.1 1,-0.2 -2,-0.0 -0.310 74.6 -75.1 -47.9 146.7 0.7 19.4 8.6 174 178 X P - 0 0 50 0, 0.0 2,-0.5 0, 0.0 -38,-0.2 -0.280 55.7-171.9 -52.4 127.5 2.4 22.4 10.3 175 179 X K - 0 0 152 1,-0.2 -39,-0.0 -3,-0.1 5,-0.0 -0.943 48.0 -47.2-132.2 104.6 2.0 21.9 14.0 176 180 X G S S- 0 0 48 -2,-0.5 -39,-0.4 4,-0.1 -1,-0.2 -0.108 84.5 -45.6 64.2-159.3 3.1 24.9 16.1 177 181 X G S >> S- 0 0 11 -41,-0.1 4,-1.9 -3,-0.1 3,-1.5 -0.200 71.0 -65.9-105.1-173.9 6.3 26.8 15.9 178 182 X D H 3> S+ 0 0 2 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.774 127.7 53.8 -41.9 -46.0 10.1 26.2 15.5 179 183 X R H 3> S+ 0 0 98 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.800 108.9 50.9 -65.6 -31.5 10.5 24.5 18.9 180 184 X D H <> S+ 0 0 84 -3,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.903 108.7 49.8 -69.6 -41.7 7.7 22.1 18.0 181 185 X Q H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.916 109.4 54.1 -60.2 -39.9 9.4 21.2 14.7 182 186 X A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.887 105.6 51.7 -62.0 -41.0 12.6 20.7 16.6 183 187 X R H X S+ 0 0 171 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.896 103.8 58.1 -62.7 -39.7 10.8 18.2 18.9 184 188 X Q H X>S+ 0 0 13 -4,-2.1 5,-2.5 2,-0.2 6,-0.9 0.902 109.0 45.7 -58.3 -36.2 9.6 16.4 15.8 185 189 X V H ><5S+ 0 0 1 -4,-1.6 3,-0.8 3,-0.2 -2,-0.2 0.927 111.8 50.4 -70.7 -43.2 13.3 15.9 14.9 186 190 X F H 3<5S+ 0 0 74 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.902 112.8 47.9 -53.6 -44.0 14.3 14.9 18.4 187 191 X A H 3<5S- 0 0 70 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.498 114.3-115.8 -83.1 -8.2 11.4 12.3 18.4 188 192 X G T <<5S+ 0 0 63 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.696 79.7 125.3 78.2 21.9 12.3 10.9 15.0 189 193 X E S > -H 103 0B 1 -2,-0.3 3,-0.7 -93,-0.3 4,-0.6 -0.482 33.0-124.8 -83.8 146.8 15.9 29.7 13.6 197 201 X T H >> S+ 0 0 0 -95,-2.3 3,-1.3 1,-0.2 4,-1.1 0.868 102.7 62.9 -58.9 -42.6 19.2 29.3 15.3 198 202 X Y H 3> S+ 0 0 0 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.811 92.9 64.7 -60.8 -29.2 18.4 31.0 18.6 199 203 X Y H <> S+ 0 0 3 -3,-0.7 4,-2.6 2,-0.2 -1,-0.3 0.862 96.4 57.3 -62.4 -32.5 15.8 28.4 19.4 200 204 X I H < S+ 0 0 3 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.938 110.9 50.6 -64.0 -52.2 16.2 24.8 24.2 204 208 X K H 3< S+ 0 0 61 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.765 118.6 38.9 -57.7 -28.9 19.7 23.7 25.2 205 209 X N T 3< S+ 0 0 70 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.259 88.8 132.7-104.6 10.7 19.7 26.2 28.1 206 210 X S < - 0 0 31 -3,-1.3 6,-0.1 -4,-0.3 -3,-0.1 -0.232 60.4-136.8 -66.1 148.4 16.1 25.8 29.2 207 211 X K S S+ 0 0 198 4,-0.1 -1,-0.1 1,-0.0 3,-0.1 0.478 91.7 85.3 -78.4 -4.2 15.0 25.4 32.8 208 212 X N S >> S- 0 0 74 1,-0.1 4,-1.4 -5,-0.1 3,-1.4 -0.878 74.6-152.7 -95.9 107.4 12.6 22.7 31.4 209 213 X P H 3> S+ 0 0 93 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.775 93.5 59.2 -54.6 -27.0 14.7 19.5 31.2 210 214 X K H 3> S+ 0 0 141 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.857 103.0 52.5 -69.4 -32.7 12.6 18.2 28.3 211 215 X D H <> S+ 0 0 51 -3,-1.4 4,-2.9 2,-0.2 5,-0.2 0.894 106.6 54.2 -65.3 -41.4 13.6 21.2 26.3 212 216 X V H X S+ 0 0 36 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.917 105.2 52.7 -59.9 -42.3 17.2 20.5 27.0 213 217 X E H X S+ 0 0 98 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.925 112.6 45.2 -58.5 -47.3 16.8 16.9 25.7 214 218 X V H >< S+ 0 0 10 -4,-1.8 3,-1.2 1,-0.2 4,-0.4 0.966 114.4 46.6 -60.6 -53.4 15.4 18.3 22.4 215 219 X G H >< S+ 0 0 0 -4,-2.9 3,-1.5 1,-0.3 -2,-0.2 0.882 106.9 58.4 -62.2 -33.1 18.0 21.0 22.0 216 220 X N H 3< S+ 0 0 71 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.727 100.5 58.0 -72.1 -19.4 20.8 18.7 22.7 217 221 X S T << S+ 0 0 2 -3,-1.2 -108,-2.3 -4,-0.9 -107,-0.6 0.520 86.6 105.7 -82.6 -9.7 19.8 16.4 19.8 218 222 X L E < -I 108 0B 7 -3,-1.5 2,-0.3 -4,-0.4 -110,-0.2 -0.662 43.9-175.1 -89.7 125.8 20.1 19.1 17.1 219 223 X G E -I 107 0B 6 -112,-2.9 -112,-2.1 -2,-0.4 2,-0.5 -0.830 23.1-129.7-100.4 154.6 22.7 19.5 14.5 220 224 X I E -I 106 0B 36 -2,-0.3 2,-0.6 -114,-0.2 -114,-0.2 -0.895 15.2-166.8-110.6 130.5 22.8 22.6 12.2 221 225 X I E -I 105 0B 15 -116,-2.8 -116,-2.2 -2,-0.5 -102,-0.0 -0.968 15.3-151.6 -99.8 118.7 23.0 22.8 8.5 222 226 X F > - 0 0 25 -2,-0.6 3,-0.7 -118,-0.2 69,-0.1 -0.815 30.2-128.6 -82.0 106.5 23.8 26.3 7.5 223 227 X P T 3 S+ 0 0 0 0, 0.0 -103,-0.3 0, 0.0 -104,-0.1 -0.249 75.5 15.2 -65.8 151.8 22.2 26.3 4.0 224 228 X N T > > + 0 0 5 -105,-2.6 5,-2.4 6,-0.1 3,-1.6 0.725 66.7 148.1 70.1 27.6 23.8 27.4 0.8 225 229 X Q T < 5S+ 0 0 56 -3,-0.7 -1,-0.1 -106,-0.5 -105,-0.1 0.763 71.2 58.3 -61.7 -26.3 27.4 27.5 2.0 226 230 X D T 3 5S+ 0 0 128 -107,-0.2 -1,-0.3 3,-0.0 -106,-0.1 0.523 125.7 3.4 -81.0 -4.3 28.7 26.5 -1.4 227 231 X N T < 5S- 0 0 71 -3,-1.6 -2,-0.0 64,-0.1 -107,-0.0 0.046 129.2 -2.1-143.3-108.9 27.0 29.6 -3.0 228 232 X R T 5S- 0 0 54 1,-0.2 66,-0.5 65,-0.1 67,-0.2 0.638 89.3-126.3 -80.3 -15.5 25.1 32.6 -1.6 229 233 X G < - 0 0 0 -5,-2.4 63,-0.3 64,-0.2 -1,-0.2 -0.231 39.6 -35.2 89.4 177.3 25.0 31.7 2.1 230 234 X T B -l 292 0C 0 61,-2.5 63,-2.8 1,-0.1 2,-0.3 -0.367 61.7 -99.0 -82.1 147.6 22.4 31.3 4.7 231 235 X H - 0 0 1 -128,-0.5 -128,-1.9 61,-0.2 2,-0.4 -0.446 37.2-165.2 -64.8 118.5 19.2 33.3 5.2 232 236 X I E + F 0 102A 11 -2,-0.3 2,-0.3 -130,-0.2 -130,-0.2 -0.921 9.3 177.4-103.6 135.4 19.5 36.1 7.8 233 237 X N E - F 0 101A 4 -132,-2.3 -132,-2.4 -2,-0.4 2,-0.3 -0.829 16.9-136.2-126.4 163.8 16.4 37.8 9.2 234 238 X I E - F 0 100A 0 -2,-0.3 2,-0.4 -134,-0.2 -134,-0.2 -0.910 9.5-139.6-117.1 155.8 16.2 40.5 11.9 235 239 X S E + F 0 99A 0 -136,-1.4 -137,-3.0 -2,-0.3 -136,-1.6 -0.863 46.2 167.5 -96.2 145.5 14.2 41.3 14.9 236 240 X G E -CF 57 97A 0 -179,-1.4 -179,-2.5 -2,-0.4 2,-0.3 -0.914 28.4-130.9-157.5-176.9 13.6 45.0 14.9 237 241 X I E +CF 56 96A 0 -141,-2.6 -141,-1.9 -2,-0.3 2,-0.3 -0.964 13.7 179.3-150.6 147.3 11.9 48.0 16.1 238 242 X A E -C 55 0A 0 -183,-1.8 -183,-2.7 -2,-0.3 2,-0.4 -0.986 29.0-119.4-147.6 149.1 10.0 51.2 15.0 239 243 X M E -CD 54 73A 1 -166,-0.6 -166,-2.4 -2,-0.3 -185,-0.3 -0.788 37.6-124.9 -83.3 134.9 8.2 54.2 16.4 240 244 X T E > - D 0 72A 0 -187,-1.8 3,-1.6 -2,-0.4 -168,-0.3 -0.540 10.3-126.3 -80.7 149.4 4.6 54.4 15.4 241 245 X K T 3 S+ 0 0 128 -170,-2.2 -169,-0.2 1,-0.3 -1,-0.1 0.785 113.1 59.6 -61.0 -24.5 3.1 57.4 13.7 242 246 X S T 3 S+ 0 0 11 -171,-0.5 -1,-0.3 -195,-0.1 -189,-0.1 0.574 76.9 130.6 -80.0 -14.0 0.6 57.3 16.5 243 247 X S < + 0 0 4 -3,-1.6 3,-0.2 -190,-0.2 -190,-0.2 -0.219 27.6 172.0 -51.2 122.9 3.2 57.7 19.3 244 248 X K S S+ 0 0 186 -193,-0.3 2,-0.2 1,-0.2 3,-0.2 0.444 79.0 59.1-105.3 -7.4 2.4 60.4 21.8 245 249 X N > + 0 0 53 1,-0.2 4,-2.0 -241,-0.1 -1,-0.2 -0.530 66.2 151.8-112.7 57.4 5.4 59.4 24.1 246 250 X Q H > + 0 0 73 1,-0.2 4,-2.3 -3,-0.2 5,-0.2 0.821 66.4 53.9 -66.2 -34.6 8.0 60.0 21.4 247 251 X D H > S+ 0 0 108 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.934 112.0 45.1 -63.9 -46.1 10.9 60.9 23.7 248 252 X A H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.892 111.4 54.4 -63.1 -38.0 10.3 57.6 25.7 249 253 X A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.945 110.0 45.2 -63.1 -45.7 10.0 55.7 22.4 250 254 X K H X S+ 0 0 77 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.888 112.2 52.8 -65.9 -40.1 13.4 57.0 21.1 251 255 X K H X S+ 0 0 91 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.906 110.4 47.9 -61.3 -42.1 15.0 56.3 24.5 252 256 X F H X S+ 0 0 2 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.898 109.3 51.9 -65.6 -43.8 13.7 52.7 24.4 253 257 X M H X S+ 0 0 0 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.937 113.6 45.1 -59.9 -45.6 14.9 52.2 20.8 254 258 X E H >< S+ 0 0 65 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.894 108.3 57.2 -65.1 -39.9 18.4 53.4 21.8 255 259 X F H >< S+ 0 0 16 -4,-2.5 3,-1.7 1,-0.3 6,-0.3 0.868 98.3 61.1 -59.6 -36.4 18.3 51.3 25.0 256 260 X M H 3< S+ 0 0 6 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.770 107.1 45.8 -65.1 -22.0 17.8 48.2 22.8 257 261 X L T << S+ 0 0 0 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.278 88.7 118.7-100.0 6.6 21.2 48.8 21.2 258 262 X S S <> S- 0 0 15 -3,-1.7 4,-2.5 -4,-0.2 5,-0.3 -0.335 77.9-109.9 -71.3 155.3 23.0 49.5 24.5 259 263 X P H > S+ 0 0 70 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.897 115.1 47.4 -51.1 -46.8 25.9 47.3 25.5 260 264 X E H > S+ 0 0 110 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.878 114.4 45.4 -66.2 -38.1 24.1 45.6 28.3 261 265 X I H > S+ 0 0 0 -6,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.892 111.0 51.4 -78.1 -38.4 20.9 44.8 26.4 262 266 X Q H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.888 109.9 52.3 -62.7 -36.9 22.7 43.5 23.3 263 267 X K H X S+ 0 0 57 -4,-1.9 4,-3.1 -5,-0.3 5,-0.3 0.918 108.5 49.4 -64.5 -41.3 24.7 41.2 25.6 264 268 X I H X>S+ 0 0 14 -4,-1.9 4,-3.1 1,-0.2 5,-1.0 0.903 104.7 59.7 -63.0 -39.9 21.4 39.9 27.2 265 269 X L H <5S+ 0 0 0 -4,-2.4 6,-2.0 1,-0.2 4,-0.4 0.875 116.5 32.2 -60.6 -35.1 20.0 39.3 23.7 266 270 X T H X5S+ 0 0 0 -4,-1.4 4,-0.8 4,-0.2 -2,-0.2 0.867 124.7 44.1 -87.1 -36.1 22.9 36.9 22.9 267 271 X D H <5S+ 0 0 60 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.840 129.8 22.4 -74.5 -37.5 23.4 35.5 26.4 268 272 X S T <5S+ 0 0 51 -4,-3.1 -3,-0.2 -5,-0.3 -255,-0.1 0.665 136.1 30.6-106.4 -24.0 19.8 35.0 27.4 269 273 X N T 4 S- 0 0 14 -177,-0.2 3,-0.7 1,-0.1 -191,-0.1 -0.364 72.6-144.9 -65.8 144.5 26.6 45.7 17.6 276 280 X N T 3 S+ 0 0 160 1,-0.2 -1,-0.1 -193,-0.2 -192,-0.0 0.354 93.1 60.3 -92.2 7.5 30.0 44.7 16.5 277 281 X D T 3 S+ 0 0 93 2,-0.1 2,-0.6 -18,-0.0 -1,-0.2 0.099 80.7 95.2-119.3 19.2 31.6 45.0 20.0 278 282 X V S < S- 0 0 22 -3,-0.7 2,-0.1 -16,-0.0 -18,-0.0 -0.951 72.4-130.5-114.8 115.0 29.5 42.5 21.9 279 283 X E - 0 0 130 -2,-0.6 -13,-0.1 1,-0.1 3,-0.1 -0.376 26.8-110.1 -60.4 139.7 30.9 39.0 22.2 280 284 X L - 0 0 50 1,-0.1 -1,-0.1 -2,-0.1 -8,-0.1 -0.339 35.9-104.1 -64.9 147.7 28.7 36.1 21.3 281 285 X S > - 0 0 6 -10,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.336 35.0-108.2 -67.9 158.8 27.4 33.9 24.1 282 286 X Q H > S+ 0 0 133 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.886 118.7 53.6 -64.2 -37.0 29.2 30.5 24.3 283 287 X T H > S+ 0 0 23 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.906 109.4 48.8 -59.3 -43.9 26.1 28.6 23.1 284 288 X V H >> S+ 0 0 2 1,-0.2 3,-1.2 2,-0.2 4,-0.6 0.899 106.8 55.0 -69.5 -37.9 25.9 30.8 20.0 285 289 X K H >< S+ 0 0 87 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.906 102.2 59.8 -57.6 -34.8 29.7 30.4 19.3 286 290 X D H 3< S+ 0 0 142 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.657 86.2 74.1 -70.6 -16.6 29.0 26.6 19.3 287 291 X F H << S- 0 0 18 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.853 105.4-131.6 -60.8 -30.8 26.5 27.0 16.4 288 292 X G << - 0 0 34 -3,-1.3 2,-0.2 -4,-0.6 -1,-0.2 -0.276 19.8 -63.3 104.1 169.5 29.7 27.6 14.3 289 293 X T + 0 0 141 -2,-0.1 2,-0.3 -3,-0.1 -4,-0.0 -0.574 58.0 168.8 -88.5 154.1 30.9 30.0 11.7 290 294 X F - 0 0 37 -2,-0.2 2,-0.4 -60,-0.0 -2,-0.0 -0.989 38.4 -98.1-161.3 156.9 29.0 30.3 8.4 291 295 X K - 0 0 100 -2,-0.3 -61,-2.5 -69,-0.1 2,-0.3 -0.719 39.2-149.4 -79.9 132.4 28.6 32.3 5.2 292 296 X E B -l 230 0C 60 -2,-0.4 -61,-0.2 -63,-0.3 2,-0.1 -0.780 23.8-102.4-103.1 143.3 25.6 34.7 5.3 293 297 X D - 0 0 19 -63,-2.8 -64,-0.2 -2,-0.3 -61,-0.1 -0.446 27.3-149.6 -59.9 132.5 23.5 35.8 2.4 294 298 X Q + 0 0 158 -66,-0.5 -1,-0.1 -2,-0.1 3,-0.1 0.491 55.7 121.1 -84.1 -5.6 24.7 39.3 1.5 295 299 X I S S- 0 0 24 -67,-0.2 2,-0.2 1,-0.1 -63,-0.1 -0.305 73.7-107.6 -61.2 139.7 21.3 40.5 0.2 296 300 X P >> - 0 0 58 0, 0.0 4,-1.5 0, 0.0 3,-0.7 -0.490 20.2-132.8 -64.6 138.2 19.9 43.5 2.0 297 301 X V H 3> S+ 0 0 6 -210,-0.7 4,-2.1 1,-0.3 5,-0.1 0.829 107.0 61.8 -63.7 -31.3 17.0 42.5 4.2 298 302 X S H 3> S+ 0 0 51 -211,-0.3 4,-0.8 1,-0.2 -1,-0.3 0.879 101.9 51.4 -58.2 -38.7 15.1 45.5 2.8 299 303 X K H X4 S+ 0 0 83 -3,-0.7 3,-0.6 2,-0.2 4,-0.2 0.884 107.0 53.1 -67.1 -40.5 15.3 43.9 -0.7 300 304 X I H >< S+ 0 0 2 -4,-1.5 3,-2.2 1,-0.2 -2,-0.2 0.960 106.1 54.3 -52.7 -51.6 14.0 40.5 0.6 301 305 X A H >< S+ 0 0 4 -4,-2.1 3,-1.4 1,-0.3 4,-0.3 0.664 90.0 74.5 -65.4 -20.1 11.0 42.4 2.1 302 306 X E T << S+ 0 0 151 -4,-0.8 -1,-0.3 -3,-0.6 3,-0.2 0.631 97.2 52.0 -60.8 -15.5 10.1 43.9 -1.3 303 307 X N T <> S+ 0 0 34 -3,-2.2 4,-2.0 -4,-0.2 -1,-0.2 0.214 75.4 105.7-107.7 15.2 8.9 40.5 -2.2 304 308 X I H <> S+ 0 0 12 -3,-1.4 4,-2.0 1,-0.2 5,-0.2 0.876 75.5 53.6 -68.8 -39.1 6.6 39.8 0.7 305 309 X K H > S+ 0 0 164 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.913 111.8 45.7 -62.6 -43.1 3.2 40.3 -1.1 306 310 X E H > S+ 0 0 68 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.877 107.9 57.5 -69.0 -36.4 4.1 37.8 -3.8 307 311 X A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.928 105.9 50.4 -57.9 -46.0 5.4 35.3 -1.2 308 312 X V H X S+ 0 0 47 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.942 111.5 48.3 -55.2 -48.2 2.0 35.3 0.5 309 313 X K H X S+ 0 0 130 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.887 110.6 51.4 -64.2 -40.1 0.3 34.7 -2.9 310 314 X I H X S+ 0 0 5 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.938 110.5 46.2 -64.6 -45.5 2.6 31.9 -3.8 311 315 X Y H X>S+ 0 0 2 -4,-2.4 5,-2.1 1,-0.2 4,-0.7 0.912 114.5 49.0 -61.7 -41.2 2.1 30.0 -0.6 312 316 X D H ><5S+ 0 0 79 -4,-2.3 3,-0.7 -5,-0.2 -2,-0.2 0.906 110.7 52.7 -62.0 -42.2 -1.7 30.6 -0.9 313 317 X E H 3<5S+ 0 0 116 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.834 106.9 49.3 -65.2 -39.2 -1.6 29.3 -4.6 314 318 X V H 3<5S- 0 0 26 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.546 125.3 -94.1 -84.4 -7.3 0.2 26.0 -3.9 315 319 X G T <<5S+ 0 0 52 -3,-0.7 -3,-0.2 -4,-0.7 -2,-0.1 0.641 74.3 135.2 108.2 15.4 -2.2 25.1 -1.0 316 320 X F < 0 0 17 -5,-2.1 -1,-0.2 1,-0.1 -179,-0.0 -0.338 360.0 360.0 -70.4 167.9 -0.7 26.2 2.3 317 321 X R 0 0 197 -2,-0.1 -178,-0.1 -143,-0.0 -1,-0.1 -0.618 360.0 360.0 120.0 360.0 -2.4 27.9 5.2