==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 27-MAR-08 3CO8 . COMPND 2 MOLECULE: ALANINE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: OENOCOCCUS OENI; . AUTHOR K.PALANI,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CENT . 705 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27535.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 483 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 85 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 10.4 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 . 59 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.8 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 2 6 1 4 2 1 1 0 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 7 6 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 PARALLEL BRIDGES PER LADDER . 2 3 4 6 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 2 0 2 0 0 2 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 L 0 0 94 0, 0.0 2,-0.3 0, 0.0 396,-0.1 0.000 360.0 360.0 360.0 -3.8 31.9 32.4 31.8 2 3 A E - 0 0 83 1,-0.1 2,-1.8 422,-0.1 353,-0.2 -0.493 360.0-137.1 -71.2 123.8 29.6 35.5 31.7 3 4 A A > + 0 0 0 352,-2.4 3,-1.2 -2,-0.3 354,-0.4 -0.492 37.9 161.1 -83.3 74.5 28.1 36.2 28.3 4 5 A I T 3 + 0 0 88 -2,-1.8 -1,-0.2 1,-0.3 -2,-0.0 0.724 69.5 56.7 -66.7 -25.4 28.6 40.0 28.3 5 6 A H T 3 S+ 0 0 51 -3,-0.2 2,-0.3 443,-0.0 -1,-0.3 0.480 94.3 84.7 -86.4 -3.6 28.1 40.4 24.5 6 7 A R S < S- 0 0 16 -3,-1.2 351,-0.1 2,-0.1 438,-0.0 -0.752 78.2-133.0-101.3 148.2 24.7 38.7 24.6 7 8 A S S S+ 0 0 32 -2,-0.3 233,-0.1 235,-0.1 -1,-0.1 0.821 73.0 108.4 -66.6 -37.6 21.5 40.6 25.3 8 9 A T + 0 0 0 265,-0.3 349,-1.0 234,-0.1 2,-0.3 -0.220 51.6 160.7 -49.7 118.9 20.1 38.1 27.9 9 10 A R E -Ab 240 357A 36 231,-2.8 231,-2.5 347,-0.2 2,-0.6 -0.995 47.8-136.0-150.6 153.7 20.4 39.7 31.3 10 11 A I E -Ab 239 358A 1 347,-2.7 349,-1.9 -2,-0.3 2,-0.7 -0.941 26.6-158.2-105.3 119.9 19.3 39.8 34.9 11 12 A E E -Ab 238 359A 27 227,-2.9 227,-1.4 -2,-0.6 2,-0.4 -0.912 10.2-154.0-105.5 102.5 18.7 43.4 35.9 12 13 A F E -Ab 237 360A 0 347,-3.2 349,-3.8 -2,-0.7 2,-0.7 -0.648 5.9-139.2 -81.9 130.7 19.0 43.7 39.7 13 14 A S > - 0 0 22 223,-3.4 4,-1.6 -2,-0.4 5,-0.1 -0.795 14.3-171.9 -96.6 114.7 17.1 46.5 41.4 14 15 A K H > S+ 0 0 53 347,-2.0 4,-2.3 -2,-0.7 -1,-0.2 0.903 88.0 53.2 -66.9 -43.4 19.0 48.2 44.2 15 16 A S H > S+ 0 0 84 346,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.865 107.9 50.9 -63.0 -36.6 16.0 50.3 45.3 16 17 A S H > S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 218,-0.3 0.880 109.1 50.5 -70.1 -37.8 13.9 47.1 45.6 17 18 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.942 111.0 49.4 -64.1 -45.3 16.5 45.4 47.8 18 19 A A H X S+ 0 0 36 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.893 110.5 50.8 -61.1 -40.1 16.7 48.4 50.1 19 20 A Y H X S+ 0 0 93 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.917 110.4 48.3 -63.7 -46.8 12.9 48.5 50.4 20 21 A N H X S+ 0 0 0 -4,-2.2 4,-2.4 197,-0.2 -2,-0.2 0.853 110.0 52.0 -65.2 -34.0 12.7 44.8 51.3 21 22 A V H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.950 113.0 44.7 -66.1 -48.1 15.4 45.1 53.9 22 23 A Q H X S+ 0 0 142 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.906 114.8 49.0 -62.7 -42.3 13.6 48.1 55.6 23 24 A Y H X S+ 0 0 36 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.880 110.6 50.0 -65.7 -41.8 10.2 46.2 55.3 24 25 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 6,-0.4 0.900 111.2 49.4 -64.9 -41.0 11.7 43.0 56.9 25 26 A K H X S+ 0 0 51 -4,-2.3 4,-1.9 1,-0.2 5,-0.2 0.897 113.2 48.0 -64.3 -39.7 13.2 45.0 59.8 26 27 A Q H < S+ 0 0 136 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.930 115.1 41.8 -66.6 -52.2 9.9 46.7 60.4 27 28 A V H < S+ 0 0 38 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.916 123.2 38.5 -64.0 -45.5 7.7 43.6 60.3 28 29 A S H < S- 0 0 1 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.772 99.4-132.2 -77.0 -30.3 10.1 41.5 62.4 29 30 A G < + 0 0 44 -4,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.432 54.6 149.6 88.6 1.2 11.1 44.3 64.7 30 31 A A - 0 0 3 -6,-0.4 -1,-0.3 -5,-0.2 180,-0.2 -0.459 36.9-165.2 -70.8 134.4 14.8 43.3 64.1 31 32 A K S S+ 0 0 180 178,-1.1 2,-0.4 -2,-0.2 179,-0.2 0.622 77.8 53.3 -93.0 -14.8 17.3 46.1 64.3 32 33 A T E -f 210 0B 45 177,-2.0 179,-2.4 -7,-0.1 2,-0.4 -0.966 67.3-168.5-124.1 132.0 20.0 44.1 62.6 33 34 A L E -f 211 0B 0 -2,-0.4 26,-2.5 24,-0.2 27,-0.9 -0.988 4.3-168.2-126.7 127.9 19.7 42.3 59.3 34 35 A W E -fg 212 60B 5 177,-3.3 179,-1.7 -2,-0.4 2,-0.5 -0.958 18.0-140.6-113.6 123.5 22.1 39.7 57.9 35 36 A L E -fg 213 61B 0 25,-2.5 27,-3.1 -2,-0.5 2,-0.5 -0.785 9.9-133.1 -91.3 126.1 21.6 38.8 54.2 36 37 A A E + g 0 62B 8 177,-2.8 27,-0.2 -2,-0.5 25,-0.0 -0.619 29.8 172.0 -76.5 113.3 22.0 35.2 53.2 37 38 A V > + 0 0 0 25,-3.3 4,-2.0 -2,-0.5 3,-0.2 0.122 25.6 137.2-112.1 22.5 24.2 35.3 50.0 38 39 A K H > + 0 0 39 24,-0.4 4,-2.4 2,-0.2 5,-0.2 -0.200 59.8 28.1 -68.8 156.8 24.8 31.6 49.6 39 40 A S H > S- 0 0 0 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.946 144.5 -44.4 54.9 58.0 24.7 29.9 46.2 40 41 A N H 4>S- 0 0 14 1,-0.2 5,-3.1 2,-0.2 -1,-0.2 0.877 112.5 -54.1 55.9 44.4 25.7 33.1 44.2 41 42 A A H ><5S- 0 0 0 -4,-2.0 3,-1.9 1,-0.2 -1,-0.2 0.920 105.8 -51.0 55.7 49.5 23.3 35.2 46.3 42 43 A Y H 3<5S- 0 0 19 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.798 110.3 -53.5 60.0 29.5 20.3 32.8 45.5 43 44 A G T 3<5S+ 0 0 1 -4,-1.4 -1,-0.3 307,-0.2 -2,-0.2 0.318 121.8 105.7 89.8 -4.8 21.3 33.3 41.9 44 45 A H T < 5S- 0 0 4 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.611 98.7 -80.7 -81.2 -13.0 21.3 37.1 41.9 45 46 A G >< - 0 0 3 -5,-3.1 4,-2.7 -6,-0.2 5,-0.4 0.563 30.0-136.2 111.1 104.2 25.1 37.4 41.9 46 47 A L H > S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.916 104.7 32.9 -49.0 -58.9 27.4 37.0 45.0 47 48 A L H > S+ 0 0 81 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.848 117.5 55.7 -71.5 -34.0 29.7 39.9 44.3 48 49 A Q H > S+ 0 0 35 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.921 115.3 37.0 -63.8 -46.8 27.0 42.1 42.7 49 50 A V H X S+ 0 0 0 -4,-2.7 4,-1.1 2,-0.2 3,-0.3 0.895 114.7 55.5 -74.4 -40.2 24.7 41.9 45.7 50 51 A S H X S+ 0 0 0 -4,-2.2 4,-0.5 -5,-0.4 3,-0.2 0.859 103.1 56.7 -62.2 -35.6 27.5 42.0 48.3 51 52 A K H < S+ 0 0 167 -4,-2.0 4,-0.2 1,-0.2 -1,-0.2 0.857 117.2 32.3 -64.6 -38.6 28.9 45.3 46.8 52 53 A I H X S+ 0 0 13 -4,-0.9 4,-1.2 -3,-0.3 -1,-0.2 0.465 93.5 98.8 -99.9 -2.2 25.6 47.2 47.2 53 54 A A H ><>S+ 0 0 0 -4,-1.1 5,-2.3 -3,-0.2 3,-0.6 0.893 83.1 43.2 -52.6 -54.2 24.4 45.3 50.4 54 55 A R G ><5S+ 0 0 148 -4,-0.5 3,-1.7 1,-0.2 -1,-0.2 0.860 110.8 55.7 -65.2 -34.4 25.4 47.9 53.1 55 56 A E G 345S+ 0 0 151 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.784 106.3 53.9 -67.7 -23.9 24.2 50.8 51.0 56 57 A C G <<5S- 0 0 6 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.274 130.2 -95.8 -92.6 7.6 20.8 49.0 51.0 57 58 A G T < 5S+ 0 0 31 -3,-1.7 2,-0.4 1,-0.3 -24,-0.2 0.518 73.8 147.0 92.0 5.7 20.8 48.7 54.8 58 59 A V < - 0 0 2 -5,-2.3 -1,-0.3 -6,-0.2 -24,-0.2 -0.638 31.7-164.0 -78.0 130.8 22.2 45.2 55.2 59 60 A D + 0 0 72 -26,-2.5 21,-0.4 -2,-0.4 2,-0.3 0.607 67.5 1.0 -90.3 -14.8 24.3 44.9 58.4 60 61 A G E -g 34 0B 0 -27,-0.9 -25,-2.5 19,-0.1 2,-0.5 -0.979 64.2-119.9-169.7 157.0 26.1 41.7 57.5 61 62 A L E -gh 35 81B 0 19,-3.1 21,-2.5 -2,-0.3 2,-0.6 -0.930 20.0-154.1-109.9 128.3 26.6 39.0 54.8 62 63 A A E +gh 36 82B 1 -27,-3.1 -25,-3.3 -2,-0.5 -24,-0.4 -0.905 18.2 176.0-105.8 116.9 25.8 35.3 55.5 63 64 A V E - h 0 83B 0 19,-3.0 21,-3.1 -2,-0.6 22,-0.3 -0.703 28.6-142.4-111.8 166.7 27.7 32.8 53.4 64 65 A S S S+ 0 0 10 -2,-0.2 21,-1.2 19,-0.2 2,-0.3 0.840 79.6 30.6 -95.4 -43.6 27.7 29.0 53.6 65 66 A V S >> S- 0 0 34 19,-0.1 4,-1.2 1,-0.1 3,-0.7 -0.799 78.7-112.3-118.9 163.5 31.3 28.1 52.8 66 67 A L H 3> S+ 0 0 16 -2,-0.3 4,-2.3 1,-0.2 3,-0.3 0.876 111.7 60.2 -56.6 -43.4 34.8 29.7 53.4 67 68 A D H 3> S+ 0 0 95 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.799 101.7 52.7 -58.2 -34.9 35.4 30.3 49.6 68 69 A E H <> S+ 0 0 23 -3,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.886 110.8 47.2 -69.9 -39.0 32.3 32.6 49.3 69 70 A G H X S+ 0 0 0 -4,-1.2 4,-2.0 -3,-0.3 -2,-0.2 0.884 112.3 49.7 -68.4 -39.7 33.5 34.7 52.2 70 71 A I H X S+ 0 0 23 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.891 107.4 55.4 -65.8 -37.9 37.0 34.9 50.7 71 72 A A H X S+ 0 0 31 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.891 108.1 48.3 -61.4 -40.8 35.5 35.9 47.3 72 73 A I H ><>S+ 0 0 0 -4,-1.6 5,-1.8 2,-0.2 3,-0.6 0.915 112.7 48.0 -66.8 -43.5 33.7 38.8 49.0 73 74 A R H ><5S+ 0 0 34 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.900 109.0 52.8 -64.6 -41.9 36.9 39.9 50.7 74 75 A Q H 3<5S+ 0 0 147 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.662 100.1 63.1 -69.8 -15.6 39.0 39.7 47.5 75 76 A A T <<5S- 0 0 50 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.385 124.9-104.9 -86.9 0.5 36.4 41.9 45.8 76 77 A G T < 5S+ 0 0 55 -3,-1.7 2,-0.6 1,-0.3 -3,-0.2 0.566 74.0 143.6 86.6 12.2 37.4 44.6 48.3 77 78 A I < - 0 0 18 -5,-1.8 -1,-0.3 1,-0.1 -2,-0.1 -0.765 28.2-176.2 -91.2 119.3 34.3 44.3 50.5 78 79 A D + 0 0 130 -2,-0.6 -1,-0.1 -3,-0.1 3,-0.1 0.216 35.5 136.4 -98.1 13.9 35.0 44.8 54.2 79 80 A D - 0 0 13 1,-0.1 2,-0.1 -29,-0.1 -19,-0.1 -0.083 69.0 -84.3 -60.6 158.2 31.4 44.1 55.4 80 81 A F - 0 0 61 -21,-0.4 -19,-3.1 20,-0.1 2,-0.4 -0.457 55.0-168.1 -64.4 127.9 30.7 41.9 58.4 81 82 A I E -h 61 0B 0 18,-0.4 20,-2.7 -21,-0.2 2,-0.4 -0.995 13.6-171.0-128.5 136.1 30.7 38.3 57.2 82 83 A L E -hi 62 101B 0 -21,-2.5 -19,-3.0 -2,-0.4 2,-0.6 -0.958 16.4-143.5-124.9 139.5 29.5 35.1 58.9 83 84 A I E -hi 63 102B 0 18,-2.6 20,-1.0 -2,-0.4 -19,-0.2 -0.940 13.3-172.5-100.9 120.7 30.0 31.5 57.6 84 85 A L + 0 0 26 -21,-3.1 -20,-0.2 -2,-0.6 -1,-0.1 0.715 64.8 62.2 -86.8 -25.6 26.9 29.4 58.4 85 86 A G S S- 0 0 4 -21,-1.2 18,-0.4 -22,-0.3 2,-0.1 -0.436 96.5 -88.4 -94.8 170.9 28.3 26.0 57.4 86 87 A P - 0 0 23 0, 0.0 2,-0.3 0, 0.0 -20,-0.2 -0.458 37.1-153.6 -80.0 152.6 31.3 24.2 59.0 87 88 A I - 0 0 17 16,-0.5 2,-0.2 -2,-0.1 5,-0.1 -0.849 32.6 -89.8-118.6 160.9 34.8 24.7 57.7 88 89 A D > - 0 0 85 -2,-0.3 3,-2.1 1,-0.1 4,-0.0 -0.561 38.0-126.8 -70.1 132.2 37.8 22.4 57.9 89 90 A V G > S+ 0 0 35 1,-0.3 3,-1.8 -2,-0.2 -1,-0.1 0.753 105.5 67.6 -52.9 -28.6 39.6 23.1 61.2 90 91 A K G 3 S+ 0 0 128 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.694 95.4 58.9 -68.0 -16.8 43.0 23.6 59.4 91 92 A Y G <> S+ 0 0 93 -3,-2.1 4,-2.1 1,-0.2 -1,-0.3 0.285 72.2 105.3 -95.3 7.9 41.5 26.7 57.9 92 93 A A H <> S+ 0 0 0 -3,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.860 78.6 51.1 -57.5 -40.6 40.8 28.3 61.3 93 94 A P H > S+ 0 0 37 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.876 109.2 51.8 -67.8 -30.5 43.7 30.8 61.0 94 95 A I H > S+ 0 0 63 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.917 109.9 48.3 -67.3 -45.1 42.4 31.9 57.5 95 96 A A H <>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 -1,-0.2 0.866 112.6 49.7 -63.5 -35.9 38.9 32.6 58.9 96 97 A S H ><5S+ 0 0 4 -4,-1.9 3,-1.0 3,-0.2 -2,-0.2 0.872 106.9 53.6 -70.9 -39.5 40.4 34.6 61.7 97 98 A K H 3<5S+ 0 0 127 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.856 111.3 46.5 -63.5 -37.2 42.6 36.7 59.4 98 99 A Y T 3<5S- 0 0 68 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.401 112.3-122.9 -86.8 1.4 39.6 37.7 57.4 99 100 A H T < 5 + 0 0 144 -3,-1.0 -18,-0.4 1,-0.2 2,-0.2 0.777 49.3 169.2 59.4 35.9 37.6 38.4 60.6 100 101 A F < - 0 0 1 -5,-2.5 2,-1.0 -6,-0.1 23,-0.6 -0.533 43.0-124.9 -78.9 138.3 34.8 35.9 59.8 101 102 A L E -ij 82 123B 0 -20,-2.7 -18,-2.6 -2,-0.2 2,-0.5 -0.778 43.8-152.6 -80.7 107.4 32.2 35.0 62.4 102 103 A T E -ij 83 124B 0 21,-3.3 23,-2.9 -2,-1.0 2,-0.3 -0.812 9.5-130.7 -99.3 125.9 32.8 31.3 62.1 103 104 A T E - j 0 125B 0 -20,-1.0 -16,-0.5 -2,-0.5 2,-0.4 -0.513 25.0-174.9 -74.3 129.2 30.4 28.5 62.7 104 105 A V E + j 0 126B 1 21,-2.5 23,-2.2 -2,-0.3 3,-0.1 -0.993 14.4 178.2-125.7 137.6 31.6 25.7 65.0 105 106 A S + 0 0 8 -2,-0.4 2,-0.3 21,-0.2 31,-0.1 0.265 60.6 45.8-124.7 10.3 29.6 22.5 65.8 106 107 A S > - 0 0 32 1,-0.1 4,-1.3 31,-0.1 -1,-0.1 -0.995 62.7-134.6-155.3 151.5 31.9 20.4 68.0 107 108 A L H > S+ 0 0 50 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.833 109.6 58.8 -70.8 -32.9 34.2 20.6 71.1 108 109 A D H > S+ 0 0 108 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.819 101.6 54.1 -66.7 -31.3 36.8 18.6 69.2 109 110 A W H > S+ 0 0 28 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.935 109.5 48.1 -66.3 -48.0 37.0 21.2 66.4 110 111 A L H X S+ 0 0 0 -4,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.834 109.4 52.6 -61.3 -37.0 37.7 23.9 69.1 111 112 A K H X S+ 0 0 77 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.855 111.7 45.6 -68.9 -35.1 40.4 21.7 70.7 112 113 A S H X S+ 0 0 57 -4,-1.7 4,-0.6 2,-0.2 3,-0.3 0.844 113.4 49.8 -75.9 -34.5 42.2 21.3 67.3 113 114 A A H >X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 3,-0.8 0.849 103.1 60.1 -72.4 -34.3 41.8 25.0 66.5 114 115 A D H 3< S+ 0 0 35 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.763 102.0 55.3 -64.5 -26.9 43.3 26.0 69.9 115 116 A K H 3< S+ 0 0 174 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.729 117.6 31.7 -79.4 -23.2 46.5 24.1 69.0 116 117 A I H << S+ 0 0 87 -3,-0.8 -2,-0.2 -4,-0.6 -1,-0.2 0.398 95.3 85.9-119.3 6.3 47.0 26.1 65.7 117 118 A L >< + 0 0 5 -4,-1.1 3,-1.3 1,-0.2 -1,-0.1 0.386 52.3 179.0 -95.6 0.3 45.7 29.7 66.2 118 119 A G T 3 S- 0 0 49 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.0 0.036 70.4 -15.4 43.9-130.2 48.4 31.9 67.8 119 120 A K T 3 S+ 0 0 190 2,-0.1 2,-0.3 37,-0.0 -1,-0.2 0.446 108.8 110.2 -81.3 -13.7 47.5 35.6 68.5 120 121 A E < - 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0 0 0 26,-0.8 2,-0.4 -2,-0.3 -35,-0.1 -0.910 26.0-123.5-148.0 165.1 19.7 27.4 65.2 165 166 A H - 0 0 73 -37,-0.4 -35,-0.2 -2,-0.3 2,-0.1 -0.974 21.0-158.8-122.4 131.0 17.8 27.1 62.0 166 167 A F 0 0 9 25,-0.5 29,-0.1 -2,-0.4 -35,-0.0 -0.288 360.0 360.0 -93.2-176.3 14.1 26.7 61.6 167 168 A A 0 0 109 -2,-0.1 28,-0.3 26,-0.1 29,-0.2 0.006 360.0 360.0 -59.1 360.0 11.8 25.4 58.8 168 ! 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 0.0 169 178 A F > 0 0 60 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -43.0 8.3 25.4 64.3 170 179 A Q H > + 0 0 97 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.868 360.0 46.0 -57.0 -48.2 6.9 24.7 67.8 171 180 A R H > S+ 0 0 231 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.871 116.1 48.5 -65.6 -35.6 9.0 21.7 68.8 172 181 A Q H > S+ 0 0 33 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.889 110.2 50.3 -70.9 -41.8 12.1 23.4 67.5 173 182 A K H X S+ 0 0 40 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.927 113.5 45.1 -63.2 -46.8 11.3 26.7 69.4 174 183 A N H X S+ 0 0 81 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.891 113.0 50.6 -64.7 -40.6 10.8 24.9 72.7 175 184 A R H X S+ 0 0 100 -4,-1.9 4,-1.8 -45,-0.2 -1,-0.2 0.860 107.7 54.8 -66.4 -36.2 13.9 22.8 72.2 176 185 A W H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.944 109.9 45.0 -61.7 -50.7 15.9 25.9 71.5 177 186 A Y H X S+ 0 0 61 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.843 113.5 50.0 -64.3 -33.7 14.9 27.6 74.7 178 187 A E H < S+ 0 0 117 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.804 110.9 49.7 -76.9 -27.7 15.5 24.4 76.8 179 188 A L H < S+ 0 0 1 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.892 116.3 39.4 -77.0 -40.4 19.0 23.9 75.3 180 189 A I H >< S+ 0 0 20 -4,-2.0 3,-2.0 -5,-0.2 -1,-0.2 0.496 87.7 134.9 -87.3 -5.2 20.2 27.5 75.9 181 190 A D T 3< S- 0 0 113 -4,-0.6 3,-0.1 1,-0.3 -3,-0.1 -0.192 78.7 -4.7 -52.9 122.2 18.5 27.6 79.3 182 191 A G T 3 S+ 0 0 79 1,-0.2 -1,-0.3 3,-0.0 2,-0.2 0.486 104.3 124.4 72.2 4.8 20.7 29.1 82.0 183 192 A L S < S- 0 0 35 -3,-2.0 2,-0.3 1,-0.1 -1,-0.2 -0.644 71.6 -94.1 -97.6 155.4 23.7 29.4 79.8 184 193 A I - 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