==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-JUN-10 3NBX . COMPND 2 MOLECULE: ATPASE RAVA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.EL BAKKOURI . 481 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25069.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 7.9 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 . 2 0.4 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 . 1 0.2 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 . 27 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 1 1 0 1 1 0 1 1 1 1 0 0 2 2 0 0 0 2 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 1 3 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 . 1 3 3 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 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 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 X H > 0 0 173 0, 0.0 4,-0.8 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -53.3 14.6 55.3 61.8 2 4 X P H > + 0 0 58 0, 0.0 4,-1.1 0, 0.0 255,-0.1 0.489 360.0 60.1 -72.1 -2.4 13.6 53.1 58.8 3 5 X H H > S+ 0 0 133 2,-0.2 4,-0.7 1,-0.1 255,-0.0 0.627 100.1 51.0 -97.9 -22.1 17.1 54.3 57.6 4 6 X L H > S+ 0 0 119 -3,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.699 106.1 60.5 -74.3 -27.5 18.6 52.6 60.6 5 7 X L H X S+ 0 0 16 -4,-0.8 4,-3.0 2,-0.2 5,-0.3 0.939 100.0 50.0 -64.6 -51.4 16.6 49.6 59.4 6 8 X A H X S+ 0 0 27 -4,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.850 112.3 51.4 -55.0 -36.1 18.3 49.4 56.0 7 9 X E H X S+ 0 0 90 -4,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.920 112.2 45.3 -63.2 -47.2 21.5 49.5 58.0 8 10 X R H X S+ 0 0 37 -4,-2.1 4,-3.4 2,-0.2 -2,-0.2 0.916 111.7 49.1 -68.2 -48.3 20.4 46.7 60.3 9 11 X I H X S+ 0 0 0 -4,-3.0 4,-3.4 2,-0.2 5,-0.2 0.912 113.2 49.5 -56.3 -44.7 19.1 44.4 57.6 10 12 X S H X S+ 0 0 51 -4,-1.6 4,-2.4 -5,-0.3 -2,-0.2 0.939 114.1 44.1 -59.6 -49.3 22.3 44.9 55.7 11 13 X R H X S+ 0 0 151 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.860 114.6 50.6 -63.8 -38.2 24.3 44.1 58.9 12 14 X L H X S+ 0 0 0 -4,-3.4 4,-2.1 2,-0.2 -2,-0.2 0.954 111.8 46.4 -61.5 -52.5 22.0 41.1 59.6 13 15 X S H X S+ 0 0 1 -4,-3.4 4,-1.1 1,-0.2 -2,-0.2 0.876 107.9 58.7 -57.9 -40.4 22.5 39.8 56.1 14 16 X S H X S+ 0 0 76 -4,-2.4 4,-0.5 -5,-0.2 3,-0.5 0.917 108.9 42.9 -55.0 -48.5 26.2 40.3 56.4 15 17 X S H >< S+ 0 0 4 -4,-1.7 3,-1.0 1,-0.2 -1,-0.2 0.865 111.1 54.6 -67.9 -39.6 26.5 38.0 59.5 16 18 X L H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.684 104.4 58.4 -65.5 -19.3 24.1 35.4 57.9 17 19 X E H >< S+ 0 0 48 -4,-1.1 3,-2.0 -3,-0.5 -1,-0.2 0.635 76.8 122.1 -87.5 -17.7 26.5 35.3 54.9 18 20 X K T << S+ 0 0 113 -3,-1.0 3,-0.1 -4,-0.5 -3,-0.0 -0.189 80.2 10.4 -51.0 127.9 29.6 34.3 56.9 19 21 X G T 3 S+ 0 0 28 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.409 101.6 111.9 84.9 -1.9 31.2 31.1 55.8 20 22 X L < - 0 0 16 -3,-2.0 2,-0.5 33,-0.0 3,-0.4 -0.919 53.0-154.1-111.9 127.9 29.1 30.9 52.6 21 23 X Y S S- 0 0 67 -2,-0.5 -3,-0.0 1,-0.2 148,-0.0 -0.867 70.5 -2.9-112.6 129.0 30.8 31.3 49.2 22 24 X E S S+ 0 0 71 -2,-0.5 -1,-0.2 147,-0.1 4,-0.1 0.778 105.7 98.8 66.3 32.4 29.1 32.5 46.0 23 25 X R > + 0 0 17 -3,-0.4 4,-2.1 -6,-0.1 5,-0.2 0.198 36.3 116.6-130.7 12.6 25.7 32.7 47.8 24 26 X S H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.923 81.7 42.2 -50.9 -56.6 25.4 36.4 48.7 25 27 X H H > S+ 0 0 34 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.923 112.4 55.5 -58.2 -47.3 22.3 37.1 46.6 26 28 X A H > S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.844 109.6 46.3 -53.5 -40.4 20.7 33.8 47.6 27 29 X I H X S+ 0 0 0 -4,-2.1 4,-2.1 -3,-0.3 -1,-0.2 0.900 112.6 48.8 -72.7 -42.2 21.0 34.8 51.3 28 30 X R H X S+ 0 0 67 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.880 113.8 47.7 -63.5 -41.0 19.7 38.3 50.9 29 31 X L H X S+ 0 0 0 -4,-2.8 4,-3.3 2,-0.2 -2,-0.2 0.907 111.3 48.8 -67.1 -44.8 16.7 37.0 48.9 30 32 X C H X S+ 0 0 1 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.856 112.9 49.4 -64.2 -35.3 15.9 34.3 51.4 31 33 X L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.942 111.9 47.5 -64.7 -48.8 16.1 36.9 54.1 32 34 X L H X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.923 115.1 46.7 -57.6 -45.8 13.8 39.2 52.1 33 35 X A H >X>S+ 0 0 0 -4,-3.3 5,-2.4 1,-0.2 4,-0.8 0.914 112.5 49.6 -59.7 -46.9 11.5 36.3 51.6 34 36 X A H 3<5S+ 0 0 0 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.860 113.1 46.1 -63.4 -38.3 11.6 35.3 55.3 35 37 X L H 3<5S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.545 116.9 44.7 -82.3 -8.7 10.9 38.9 56.4 36 38 X S H <<5S- 0 0 1 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.384 112.1-111.1-115.4 -1.1 8.0 39.3 53.9 37 39 X G T <5S+ 0 0 19 -4,-0.8 -3,-0.2 -3,-0.3 2,-0.2 0.715 73.7 131.6 76.9 23.4 6.2 35.9 54.4 38 40 X E < - 0 0 17 -5,-2.4 101,-0.7 -6,-0.2 2,-0.3 -0.482 49.5-127.5 -99.4 172.7 7.2 34.6 51.0 39 41 X S E -a 139 0A 2 99,-0.2 123,-2.0 -2,-0.2 2,-0.4 -0.876 14.2-153.7-123.0 156.7 8.7 31.3 49.9 40 42 X V E -ab 140 162A 0 99,-2.3 101,-1.7 -2,-0.3 2,-0.5 -0.988 6.4-145.8-135.6 136.4 11.7 30.4 47.8 41 43 X F E -ab 141 163A 0 121,-3.7 123,-2.7 -2,-0.4 2,-0.6 -0.908 12.6-153.5-104.1 127.8 12.7 27.4 45.6 42 44 X L E -ab 142 164A 0 99,-3.5 101,-1.5 -2,-0.5 2,-0.5 -0.893 8.9-165.4-105.6 116.9 16.3 26.4 45.4 43 45 X L E +ab 143 165A 4 121,-3.3 123,-3.5 -2,-0.6 101,-0.2 -0.891 34.8 92.7-107.9 122.3 17.4 24.6 42.2 44 46 X G - 0 0 2 99,-2.4 123,-0.1 -2,-0.5 101,-0.1 -0.935 67.3 -68.6 171.8 167.5 20.7 22.7 42.1 45 47 X P - 0 0 37 0, 0.0 3,-0.4 0, 0.0 98,-0.1 -0.188 66.5 -77.8 -68.7 163.7 22.8 19.5 42.4 46 48 X P S S+ 0 0 106 0, 0.0 97,-0.0 0, 0.0 0, 0.0 -0.150 106.2 27.8 -65.0 158.0 23.4 17.9 45.9 47 49 X G S S+ 0 0 85 1,-0.1 0, 0.0 -3,-0.1 0, 0.0 0.804 77.4 119.1 67.0 35.6 26.0 19.1 48.4 48 50 X I S S- 0 0 18 -3,-0.4 119,-0.1 120,-0.1 -1,-0.1 -0.079 91.4 -95.2-121.8 33.3 26.0 22.8 47.5 49 51 X A S > S+ 0 0 31 3,-0.1 4,-2.5 1,-0.1 5,-0.2 0.615 81.8 134.9 67.5 18.4 24.7 24.3 50.8 50 52 X K H > S+ 0 0 12 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.955 80.4 37.9 -59.5 -51.1 21.1 24.4 49.8 51 53 X S H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 113.8 59.2 -65.3 -39.1 19.9 23.0 53.1 52 54 X L H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.917 103.8 47.7 -57.4 -49.6 22.6 24.9 54.9 53 55 X I H X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.821 110.5 54.2 -66.9 -29.4 21.4 28.4 53.8 54 56 X A H < S+ 0 0 1 -4,-1.2 3,-0.4 -5,-0.2 4,-0.3 0.933 110.8 44.5 -65.1 -47.3 17.9 27.4 54.8 55 57 X R H >< S+ 0 0 81 -4,-2.4 3,-1.1 1,-0.2 4,-0.3 0.816 106.0 63.5 -66.0 -32.0 19.0 26.4 58.3 56 58 X R H >< S+ 0 0 3 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.871 92.2 65.0 -55.3 -39.2 21.1 29.6 58.5 57 59 X L G >< S+ 0 0 0 -4,-1.1 3,-1.4 -3,-0.4 -1,-0.2 0.616 83.3 71.4 -70.3 -15.4 17.9 31.7 58.2 58 60 X K G X S+ 0 0 72 -3,-1.1 3,-1.2 -4,-0.3 -1,-0.3 0.766 89.5 65.8 -67.2 -23.3 16.4 30.6 61.5 59 61 X F G < S+ 0 0 29 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.409 82.0 76.2 -80.5 1.0 19.2 32.7 63.1 60 62 X A G < S+ 0 0 0 -3,-1.4 136,-3.4 135,-0.1 2,-0.3 0.653 96.1 56.0 -78.9 -17.3 17.6 35.8 61.7 61 63 X F B < S-e 196 0B 2 -3,-1.2 3,-0.3 134,-0.3 136,-0.2 -0.871 74.4-137.4-122.0 149.4 14.9 35.6 64.4 62 64 X Q S S+ 0 0 113 134,-2.0 2,-0.8 -2,-0.3 -1,-0.2 0.996 103.7 28.3 -63.4 -67.9 15.0 35.4 68.3 63 65 X N S S+ 0 0 79 133,-0.2 2,-0.3 2,-0.0 -1,-0.3 -0.878 85.5 143.5 -96.1 105.1 12.4 32.7 68.6 64 66 X A - 0 0 19 -2,-0.8 2,-0.4 -3,-0.3 -3,-0.1 -0.875 32.0-160.1-149.2 112.9 12.6 30.6 65.5 65 67 X R - 0 0 121 -2,-0.3 34,-2.0 2,-0.0 33,-1.2 -0.769 15.0-147.5 -92.2 133.4 12.1 26.9 65.2 66 68 X A E -c 99 0A 44 -2,-0.4 2,-0.4 32,-0.2 34,-0.2 -0.815 9.6-165.9-103.6 142.9 13.5 25.2 62.1 67 69 X F E -c 100 0A 18 32,-2.6 34,-3.5 -2,-0.4 2,-0.4 -0.989 7.0-177.7-128.3 122.3 12.0 22.1 60.3 68 70 X E E +c 101 0A 88 -2,-0.4 2,-0.3 32,-0.2 34,-0.2 -0.907 7.0 166.6-115.7 145.9 14.0 20.1 57.8 69 71 X Y E -c 102 0A 42 32,-1.0 34,-2.6 -2,-0.4 2,-0.6 -0.927 28.3-142.2-158.7 135.7 12.7 17.1 55.8 70 72 X L E -c 103 0A 91 -2,-0.3 2,-0.2 32,-0.2 34,-0.2 -0.895 29.7-129.8 -96.6 120.5 13.8 15.1 52.8 71 73 X M - 0 0 1 32,-3.0 2,-0.3 -2,-0.6 37,-0.1 -0.511 26.4-175.9 -70.6 131.3 10.9 14.0 50.6 72 74 X T > - 0 0 53 -2,-0.2 3,-1.5 35,-0.1 37,-0.3 -0.839 39.1-114.1-116.3 162.5 10.7 10.4 49.7 73 75 X R T 3 S+ 0 0 191 -2,-0.3 -2,-0.0 1,-0.3 -1,-0.0 0.716 120.2 50.3 -68.5 -19.4 8.1 8.8 47.4 74 76 X F T 3 S+ 0 0 185 2,-0.1 2,-0.3 35,-0.0 -1,-0.3 0.158 83.3 130.0-101.8 15.5 6.8 6.8 50.4 75 77 X S < - 0 0 11 -3,-1.5 34,-0.4 32,-0.3 37,-0.2 -0.546 40.9-160.7 -74.5 133.2 6.6 10.0 52.6 76 78 X T >> - 0 0 52 -2,-0.3 3,-1.5 35,-0.1 4,-1.5 -0.807 32.9-111.8-112.2 154.4 3.3 10.4 54.4 77 79 X P H 3>>S+ 0 0 24 0, 0.0 4,-2.8 0, 0.0 5,-0.6 0.714 115.9 67.8 -52.0 -23.6 1.7 13.5 55.9 78 80 X E H 3>5S+ 0 0 70 3,-0.2 4,-0.7 1,-0.2 -3,-0.0 0.865 103.1 42.5 -64.6 -37.8 2.2 11.8 59.3 79 81 X E H <45S+ 0 0 73 -3,-1.5 -1,-0.2 3,-0.2 -4,-0.0 0.873 122.9 37.6 -76.0 -39.0 6.0 12.1 58.9 80 82 X V H <5S+ 0 0 0 -4,-1.5 14,-1.7 2,-0.1 -2,-0.2 0.908 131.9 23.0 -81.6 -46.4 5.9 15.7 57.6 81 83 X F H <5S- 0 0 0 -4,-2.8 -3,-0.2 1,-0.2 12,-0.2 0.562 119.8 -89.9-101.1 -11.9 3.1 17.3 59.7 82 84 X G << - 0 0 0 -4,-0.7 2,-0.3 -5,-0.6 -1,-0.2 -0.022 38.7 -87.1 112.0 142.4 3.1 14.9 62.7 83 85 X P - 0 0 50 0, 0.0 6,-1.8 0, 0.0 2,-0.2 -0.658 42.6-121.2 -83.0 139.4 1.4 11.6 63.5 84 86 X L B F 88 0C 82 -2,-0.3 4,-0.3 4,-0.3 -2,-0.0 -0.504 360.0 360.0 -80.5 148.2 -2.1 11.8 65.2 85 87 X S 0 0 128 2,-3.1 3,-0.1 -2,-0.2 -1,-0.1 0.814 360.0 360.0 -64.3 360.0 -2.7 10.2 68.6 86 ! 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 87 98 X E 0 0 127 0, 0.0 -2,-3.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -24.7 -5.5 15.2 68.1 88 99 X R B -F 84 0C 45 -4,-0.3 2,-1.1 39,-0.2 -4,-0.3 -0.718 360.0-130.3 -95.8 139.0 -2.3 15.5 66.0 89 100 X L + 0 0 109 -6,-1.8 -1,-0.0 -2,-0.3 -5,-0.0 -0.728 38.5 162.2 -89.4 94.3 1.2 15.6 67.5 90 101 X T > + 0 0 16 -2,-1.1 3,-2.3 -8,-0.1 6,-0.4 0.613 28.1 120.5 -92.5 -15.7 2.6 18.7 65.7 91 102 X S T 3 S+ 0 0 89 1,-0.3 3,-0.1 4,-0.1 6,-0.1 -0.338 85.7 14.3 -59.1 116.6 5.6 19.4 68.1 92 103 X G T 3 S+ 0 0 58 1,-0.4 -1,-0.3 4,-0.3 2,-0.2 0.526 113.9 98.2 93.8 10.2 8.8 19.2 66.1 93 104 X Y S X S- 0 0 69 -3,-2.3 3,-2.1 -12,-0.2 -1,-0.4 -0.690 91.7 -83.1-124.5 175.3 6.9 19.3 62.7 94 105 X L G > S+ 0 0 2 -14,-1.7 3,-1.1 1,-0.3 -13,-0.1 0.829 115.7 67.8 -45.8 -48.4 5.9 21.7 59.9 95 106 X P G 3 S+ 0 0 7 0, 0.0 -1,-0.3 0, 0.0 41,-0.1 0.618 110.7 34.9 -55.6 -15.3 2.8 23.1 61.7 96 107 X E G < S+ 0 0 54 -3,-2.1 -4,-0.3 -6,-0.4 2,-0.3 -0.386 94.0 97.8-138.1 64.6 5.0 24.7 64.4 97 108 X A < - 0 0 2 -3,-1.1 -31,-0.2 1,-0.1 3,-0.1 -0.983 52.3-155.0-144.7 136.2 8.2 25.9 62.7 98 109 X E S S+ 0 0 13 -33,-1.2 40,-2.8 -2,-0.3 39,-2.3 0.848 91.2 41.0 -77.0 -38.2 9.0 29.4 61.5 99 110 X I E S-cd 66 138A 2 -34,-2.0 -32,-2.6 38,-0.2 2,-0.5 -0.962 72.5-176.2-114.4 117.6 11.6 28.2 58.9 100 111 X V E -cd 67 139A 0 38,-2.8 40,-2.5 -2,-0.5 2,-0.5 -0.966 4.5-172.8-116.8 123.1 10.7 25.1 57.0 101 112 X F E -cd 68 140A 5 -34,-3.5 -32,-1.0 -2,-0.5 2,-0.5 -0.956 0.7-174.3-110.7 131.5 13.1 23.5 54.5 102 113 X L E -cd 69 141A 0 38,-2.4 40,-1.8 -2,-0.5 3,-0.3 -0.929 10.8-156.9-129.6 106.5 11.8 20.6 52.4 103 114 X D E S+cd 70 142A 34 -34,-2.6 -32,-3.0 -2,-0.5 40,-0.2 -0.519 72.2 17.4 -84.4 150.3 14.4 18.9 50.2 104 115 X E S > S+ 0 0 53 38,-0.7 3,-0.9 -34,-0.2 39,-0.2 0.950 76.4 174.1 57.0 57.7 13.6 16.9 47.0 105 116 X I G > + 0 0 3 37,-2.0 3,-1.8 -3,-0.3 38,-0.1 0.804 57.6 72.3 -70.4 -34.9 10.2 18.5 46.8 106 117 X W G 3 S+ 0 0 30 1,-0.3 -1,-0.2 36,-0.2 42,-0.2 0.296 90.8 62.4 -73.3 13.4 8.9 17.2 43.4 107 118 X K G < S+ 0 0 67 -3,-0.9 -1,-0.3 2,-0.0 -32,-0.3 0.186 70.6 124.2-120.6 15.0 8.4 13.7 44.8 108 119 X A < - 0 0 8 -3,-1.8 -35,-0.1 -37,-0.1 45,-0.1 -0.552 62.7-118.5 -70.4 137.2 5.8 14.6 47.4 109 120 X G > - 0 0 22 -34,-0.4 4,-3.1 -37,-0.3 5,-0.2 -0.148 27.1 -98.0 -70.6 171.0 2.6 12.6 47.0 110 121 X P H > S+ 0 0 102 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.784 123.8 55.6 -58.9 -30.5 -0.9 14.1 46.3 111 122 X A H > S+ 0 0 58 2,-0.2 4,-1.3 1,-0.1 5,-0.1 0.891 114.2 37.5 -71.5 -41.9 -1.7 13.9 50.0 112 123 X I H > S+ 0 0 1 -37,-0.2 4,-2.2 2,-0.2 5,-0.2 0.935 113.1 58.4 -71.6 -48.9 1.3 16.0 51.0 113 124 X L H X S+ 0 0 9 -4,-3.1 4,-2.0 1,-0.2 3,-0.2 0.903 107.9 46.2 -45.1 -53.7 1.0 18.3 48.0 114 125 X N H X S+ 0 0 86 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.903 112.2 47.4 -62.5 -46.5 -2.6 19.3 49.0 115 126 X T H X S+ 0 0 13 -4,-1.3 4,-0.9 1,-0.2 -1,-0.2 0.743 112.1 53.5 -69.4 -22.7 -1.9 20.0 52.7 116 127 X L H X S+ 0 0 3 -4,-2.2 4,-2.3 -3,-0.2 -1,-0.2 0.866 103.9 54.8 -72.1 -41.7 1.2 22.0 51.6 117 128 X L H X S+ 0 0 26 -4,-2.0 4,-1.9 1,-0.2 5,-0.2 0.847 111.0 44.8 -62.5 -35.8 -0.9 24.1 49.2 118 129 X T H X S+ 0 0 26 -4,-1.6 4,-1.2 2,-0.2 6,-1.0 0.781 109.9 57.3 -76.4 -27.9 -3.2 25.0 52.1 119 130 X A H < S+ 0 0 1 -4,-0.9 4,-0.4 -5,-0.2 -2,-0.2 0.884 112.2 39.8 -68.4 -40.5 -0.2 25.6 54.3 120 131 X I H < S+ 0 0 10 -4,-2.3 -2,-0.2 2,-0.1 -1,-0.2 0.916 126.8 33.4 -73.0 -45.6 1.3 28.2 51.9 121 132 X N H < S+ 0 0 78 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.984 129.1 27.9 -76.9 -62.5 -2.1 29.9 51.0 122 133 X E S < S- 0 0 115 -4,-1.2 -3,-0.2 -5,-0.2 -1,-0.1 0.542 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