==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 14-SEP-04 1XFC . COMPND 2 MOLECULE: ALANINE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR P.LEMAGUERES,H.IM,J.EBALUNODE,U.STRYCH,M.J.BENEDIK,J.M.BRIGG . 722 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27049.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 518 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 10.1 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 50 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.9 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 6 2 0 2 2 2 0 0 2 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 5 8 0 0 4 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 4 0 5 5 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 . 1 1 2 0 2 1 0 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 11 A L 0 0 85 0, 0.0 241,-1.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -66.0 36.8 17.7 24.0 2 12 A A E -Ab 241 360A 5 357,-0.7 359,-2.1 239,-0.2 2,-0.4 -0.980 360.0-163.5-147.9 154.9 34.7 16.3 21.3 3 13 A E E -Ab 240 361A 49 237,-3.0 237,-2.6 -2,-0.3 2,-0.7 -0.998 26.7-148.3-149.9 150.8 32.4 13.3 20.9 4 14 A A E -Ab 239 362A 4 357,-2.0 359,-2.0 -2,-0.4 2,-0.6 -0.895 35.6-159.2-103.6 91.2 30.6 11.1 18.5 5 15 A M E -Ab 238 363A 38 233,-2.7 233,-2.3 -2,-0.7 2,-0.6 -0.659 4.1-159.0 -83.4 121.3 27.6 10.4 20.6 6 16 A V E -Ab 237 364A 0 357,-2.9 359,-2.5 -2,-0.6 2,-1.0 -0.875 7.1-148.3-103.0 121.5 25.7 7.2 19.6 7 17 A D E >> - b 0 365A 41 229,-2.6 4,-1.6 -2,-0.6 3,-1.3 -0.772 9.2-169.6 -90.8 103.4 22.1 7.1 20.7 8 18 A L H 3> S+ 0 0 1 357,-2.5 4,-2.5 -2,-1.0 359,-0.2 0.718 86.3 66.7 -68.5 -16.5 21.3 3.4 21.3 9 19 A G H 3> S+ 0 0 24 356,-0.6 4,-1.8 357,-0.3 -1,-0.3 0.844 102.7 45.2 -65.1 -33.5 17.7 4.4 21.6 10 20 A A H <> S+ 0 0 4 -3,-1.3 4,-3.3 2,-0.2 224,-0.3 0.898 110.2 53.9 -75.5 -39.7 17.8 5.4 17.9 11 21 A I H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 5,-0.3 0.961 109.2 49.4 -52.6 -50.8 19.5 2.2 17.0 12 22 A E H X S+ 0 0 52 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.928 112.6 47.8 -56.9 -44.7 16.7 0.4 18.8 13 23 A H H X S+ 0 0 68 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.910 110.8 50.7 -58.8 -48.8 14.2 2.4 16.9 14 24 A N H X S+ 0 0 0 -4,-3.3 4,-2.4 205,-0.2 5,-0.2 0.899 109.4 49.9 -61.6 -42.5 15.8 1.8 13.5 15 25 A V H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.2 -1,-0.2 0.946 108.5 53.6 -65.3 -38.5 16.0 -1.9 14.0 16 26 A R H X S+ 0 0 112 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.942 109.8 47.6 -60.9 -41.0 12.3 -2.0 15.0 17 27 A V H X S+ 0 0 19 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.919 111.4 49.9 -65.4 -40.2 11.4 -0.2 11.8 18 28 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.913 107.5 55.1 -63.6 -39.5 13.6 -2.5 9.6 19 29 A R H X S+ 0 0 121 -4,-2.8 4,-0.7 -5,-0.2 -1,-0.2 0.939 107.6 49.7 -59.9 -42.8 12.0 -5.5 11.3 20 30 A E H >< S+ 0 0 150 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.939 113.3 46.0 -62.0 -45.5 8.5 -4.2 10.3 21 31 A H H 3< S+ 0 0 78 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.827 107.7 56.6 -66.1 -28.9 9.6 -3.7 6.7 22 32 A A H >< S- 0 0 4 -4,-2.4 3,-2.2 1,-0.2 2,-0.4 0.619 86.4-174.9 -81.4 -7.2 11.3 -7.1 6.5 23 33 A G T << + 0 0 59 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.1 -0.373 68.5 1.3 59.9-108.1 8.0 -8.6 7.5 24 34 A H T 3 S+ 0 0 141 -2,-0.4 -1,-0.3 -3,-0.1 2,-0.1 0.659 111.4 98.8 -85.7 -22.3 8.5 -12.4 7.9 25 35 A A S < S- 0 0 8 -3,-2.2 187,-0.2 1,-0.1 186,-0.1 -0.302 74.1-121.3 -70.7 145.4 12.3 -12.3 7.2 26 36 A Q E -f 212 0B 104 185,-1.9 187,-1.6 -2,-0.1 2,-0.5 -0.472 29.5-113.7 -80.5 165.5 14.8 -12.3 10.0 27 37 A L E -f 213 0B 4 24,-0.3 27,-2.0 185,-0.2 26,-2.0 -0.887 19.6-166.6-108.5 122.2 17.3 -9.5 10.3 28 38 A M E -h 54 0C 1 185,-3.4 2,-0.4 -2,-0.5 27,-0.3 -0.900 21.3-149.1 -97.7 106.8 21.0 -9.7 9.8 29 39 A A E -h 55 0C 0 25,-2.2 27,-2.7 -2,-0.8 2,-0.6 -0.660 9.5-137.4 -77.9 129.4 22.3 -6.4 11.2 30 40 A V E +h 56 0C 4 185,-2.4 27,-0.2 -2,-0.4 189,-0.1 -0.773 32.0 164.9 -93.6 119.5 25.5 -5.4 9.4 31 41 A V > + 0 0 1 25,-2.6 4,-2.4 -2,-0.6 26,-0.2 0.038 23.5 139.9-124.5 23.5 28.2 -4.0 11.7 32 42 A K H > + 0 0 26 24,-0.5 4,-2.5 2,-0.2 3,-0.2 -0.107 58.7 39.0 -58.9 170.7 31.3 -4.1 9.5 33 43 A A H > S- 0 0 19 1,-0.2 4,-1.9 2,-0.2 6,-0.2 0.922 142.7 -55.0 46.3 55.1 33.8 -1.2 9.7 34 44 A D H 4>S- 0 0 75 1,-0.2 5,-2.7 2,-0.2 -1,-0.2 0.906 110.0 -45.3 46.4 51.5 33.4 -1.0 13.5 35 45 A G H ><5S- 0 0 0 -4,-2.4 3,-2.4 3,-0.2 -1,-0.2 0.922 105.6 -59.9 66.3 40.7 29.6 -0.6 13.2 36 46 A Y H 3<5S- 0 0 12 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.877 107.6 -48.4 53.5 38.1 30.0 2.0 10.4 37 47 A G T 3<5S+ 0 0 18 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.345 128.8 98.0 82.2 -2.8 31.9 4.1 12.9 38 48 A H T < 5S- 0 0 1 -3,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.452 102.4 -84.7 -95.0 -0.6 29.3 3.7 15.6 39 49 A G >< - 0 0 2 -5,-2.7 4,-2.2 -6,-0.2 5,-0.3 0.648 31.6-139.5 96.2 104.1 31.0 0.8 17.5 40 50 A A H > S+ 0 0 13 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.939 98.3 46.2 -61.3 -49.8 30.4 -2.8 16.3 41 51 A T H > S+ 0 0 25 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.941 116.0 43.5 -61.0 -51.3 30.0 -4.4 19.7 42 52 A R H > S+ 0 0 73 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.946 117.4 45.1 -63.8 -45.2 27.7 -1.8 21.3 43 53 A V H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.906 112.9 52.6 -63.8 -36.8 25.5 -1.5 18.2 44 54 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.3 5,-0.3 0.959 109.2 48.8 -62.8 -44.3 25.5 -5.3 17.9 45 55 A Q H X S+ 0 0 89 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.947 115.7 44.0 -59.3 -48.4 24.3 -5.7 21.5 46 56 A T H X S+ 0 0 11 -4,-2.3 4,-1.2 -5,-0.2 -1,-0.2 0.908 113.2 49.5 -63.3 -44.7 21.6 -3.2 21.0 47 57 A A H <>S+ 0 0 0 -4,-2.9 5,-2.8 2,-0.2 -1,-0.2 0.905 114.5 45.7 -64.1 -39.3 20.4 -4.5 17.6 48 58 A L H ><5S+ 0 0 41 -4,-2.7 3,-2.4 -5,-0.3 -2,-0.2 0.939 110.1 54.1 -67.6 -46.2 20.3 -8.0 19.0 49 59 A G H 3<5S+ 0 0 66 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.734 107.6 52.0 -57.9 -23.1 18.5 -6.8 22.1 50 60 A A T 3<5S- 0 0 9 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.232 133.3 -86.8-100.7 14.7 15.9 -5.1 19.8 51 61 A G T < 5S+ 0 0 29 -3,-2.4 -24,-0.3 1,-0.3 -3,-0.2 0.390 73.1 147.4 106.4 -2.8 15.3 -8.4 18.0 52 62 A A < - 0 0 7 -5,-2.8 -1,-0.3 -6,-0.1 -24,-0.2 -0.358 35.5-152.2 -58.3 151.5 17.8 -8.7 15.1 53 63 A A + 0 0 33 -26,-2.0 2,-0.3 1,-0.2 -25,-0.2 0.794 64.4 11.0 -97.3 -33.4 18.6 -12.4 14.7 54 64 A E E -h 28 0C 16 -27,-2.0 -25,-2.2 19,-0.1 2,-0.4 -0.860 64.9-125.6-138.3 169.6 22.1 -12.4 13.3 55 65 A L E -hi 29 75C 0 19,-2.5 21,-2.6 -2,-0.3 2,-0.4 -0.925 16.8-158.9-119.2 144.1 25.1 -10.2 12.7 56 66 A G E +hi 30 76C 0 -27,-2.7 -25,-2.6 -2,-0.4 -24,-0.5 -0.963 16.9 162.2-122.9 139.1 27.0 -9.6 9.4 57 67 A V E - i 0 77C 1 19,-2.7 21,-0.9 -2,-0.4 22,-0.1 -0.937 38.8-124.0-143.4 168.4 30.5 -8.3 9.0 58 68 A A S S+ 0 0 0 -2,-0.3 21,-3.1 19,-0.2 20,-0.7 0.958 85.8 41.3 -78.6 -55.9 33.1 -8.3 6.2 59 69 A T > - 0 0 13 19,-0.2 4,-1.6 18,-0.2 21,-0.1 -0.593 69.2-130.2-104.7 157.1 36.1 -9.9 7.8 60 70 A V H > S+ 0 0 10 19,-0.4 4,-2.5 -2,-0.2 5,-0.2 0.892 112.4 60.8 -62.2 -34.3 36.8 -12.8 10.1 61 71 A D H > S+ 0 0 122 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.932 103.0 49.6 -57.0 -45.8 38.8 -10.4 12.2 62 72 A E H > S+ 0 0 32 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.883 110.2 52.6 -58.3 -36.4 35.7 -8.3 12.7 63 73 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.914 107.1 49.5 -69.0 -44.5 33.9 -11.4 13.7 64 74 A L H X S+ 0 0 49 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.837 105.4 57.6 -66.2 -30.0 36.4 -12.5 16.3 65 75 A A H X S+ 0 0 55 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.916 105.8 50.7 -69.3 -38.3 36.4 -9.1 18.0 66 76 A L H ><>S+ 0 0 2 -4,-1.5 5,-2.4 -5,-0.2 3,-0.5 0.941 112.2 47.8 -56.9 -44.8 32.7 -9.4 18.5 67 77 A R H ><5S+ 0 0 46 -4,-2.0 3,-2.3 1,-0.2 -2,-0.2 0.945 107.6 53.4 -66.8 -40.4 33.3 -12.8 20.0 68 78 A A H 3<5S+ 0 0 88 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.761 104.5 58.8 -65.0 -19.4 36.1 -11.6 22.3 69 79 A D T <<5S- 0 0 91 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.163 128.1 -99.9 -91.7 13.9 33.6 -8.9 23.5 70 80 A G T < 5 + 0 0 56 -3,-2.3 2,-0.2 1,-0.2 -3,-0.2 0.531 69.3 153.0 82.6 5.2 31.3 -11.7 24.6 71 81 A I < + 0 0 10 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.543 13.2 172.8 -69.6 132.9 28.9 -11.7 21.6 72 82 A T + 0 0 130 -2,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.539 40.7 103.9-117.5 -12.8 27.3 -15.2 21.2 73 83 A A S S- 0 0 21 1,-0.1 -19,-0.1 -19,-0.0 -20,-0.1 -0.143 87.3 -71.9 -63.9 166.6 24.7 -14.6 18.5 74 84 A P - 0 0 55 0, 0.0 -19,-2.5 0, 0.0 2,-0.4 -0.366 50.8-168.8 -64.0 139.7 25.4 -15.8 14.9 75 85 A V E -i 55 0C 0 18,-0.5 20,-2.6 -21,-0.2 2,-0.4 -0.999 5.7-162.8-131.9 126.5 27.9 -13.9 12.9 76 86 A L E -ij 56 95C 0 -21,-2.6 -19,-2.7 -2,-0.4 2,-0.4 -0.910 2.5-166.8-111.0 138.9 28.6 -14.2 9.2 77 87 A A E +ij 57 96C 0 18,-2.0 20,-2.9 -2,-0.4 -19,-0.2 -0.979 11.1 172.2-125.8 139.8 31.8 -12.9 7.4 78 88 A W + 0 0 22 -21,-0.9 2,-0.5 -20,-0.7 -19,-0.2 0.344 54.8 72.6-132.7 1.5 32.2 -12.5 3.6 79 89 A L + 0 0 10 -21,-3.1 -19,-0.4 -22,-0.1 -1,-0.1 -0.926 59.2 172.1-127.4 106.8 35.4 -10.8 2.6 80 90 A H - 0 0 10 -2,-0.5 3,-0.1 -21,-0.1 -21,-0.1 -0.942 31.8-118.1-125.1 137.3 38.6 -12.9 3.1 81 91 A P > - 0 0 45 0, 0.0 3,-1.8 0, 0.0 2,-0.1 -0.273 44.4 -96.8 -61.6 149.0 42.2 -12.5 2.1 82 92 A P T 3 S+ 0 0 36 0, 0.0 535,-0.1 0, 0.0 21,-0.0 -0.445 112.2 22.4 -64.5 138.8 43.7 -15.1 -0.2 83 93 A G T 3 S+ 0 0 51 1,-0.2 20,-0.0 -2,-0.1 0, 0.0 0.491 86.6 163.7 83.2 -0.2 45.5 -17.9 1.8 84 94 A I < - 0 0 32 -3,-1.8 2,-0.8 1,-0.1 -1,-0.2 -0.194 40.3-129.6 -53.4 138.7 43.4 -17.1 5.0 85 95 A D - 0 0 90 1,-0.1 4,-0.3 24,-0.0 -1,-0.1 -0.838 18.7-165.5 -86.6 114.6 43.5 -19.9 7.6 86 96 A F > + 0 0 1 -2,-0.8 4,-2.2 20,-0.3 5,-0.2 0.453 61.8 100.2 -80.9 1.8 39.8 -20.3 8.4 87 97 A G H > S+ 0 0 3 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.942 77.9 48.2 -55.3 -57.4 40.6 -22.3 11.6 88 98 A P H > S+ 0 0 63 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.887 111.6 53.8 -55.1 -35.4 40.1 -19.6 14.2 89 99 A A H 4>S+ 0 0 0 -4,-0.3 5,-3.1 2,-0.2 -2,-0.2 0.956 109.7 45.7 -63.3 -45.3 36.8 -18.8 12.5 90 100 A L H ><5S+ 0 0 4 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.931 113.5 50.3 -63.6 -41.3 35.6 -22.3 12.7 91 101 A L H 3<5S+ 0 0 108 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.857 111.1 47.5 -65.6 -34.7 36.7 -22.6 16.3 92 102 A A T 3<5S- 0 0 27 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.249 117.1-112.7 -92.9 17.4 35.0 -19.4 17.3 93 103 A D T < 5 + 0 0 87 -3,-1.5 2,-0.5 1,-0.2 -18,-0.5 0.864 59.8 159.5 55.2 43.1 31.8 -20.5 15.5 94 104 A V < - 0 0 5 -5,-3.1 25,-0.3 -6,-0.2 -1,-0.2 -0.844 38.8-128.2 -94.0 128.7 32.0 -17.8 12.8 95 105 A Q E -j 76 0C 15 -20,-2.6 -18,-2.0 -2,-0.5 2,-0.5 -0.429 22.8-146.6 -70.0 144.8 30.0 -18.5 9.7 96 106 A V E -jk 77 120C 1 23,-1.6 25,-2.1 -20,-0.2 2,-0.5 -0.955 7.0-155.3-120.5 127.2 32.0 -18.1 6.5 97 107 A A E - k 0 121C 1 -20,-2.9 2,-0.4 -2,-0.5 25,-0.2 -0.876 15.6-156.1 -99.0 128.1 30.7 -16.9 3.1 98 108 A V E - k 0 122C 0 23,-3.0 25,-2.9 -2,-0.5 35,-0.3 -0.833 18.1-178.9-106.7 143.0 32.7 -18.2 0.1 99 109 A S + 0 0 12 -2,-0.4 33,-0.7 23,-0.2 2,-0.3 0.245 65.8 31.9-124.6 13.5 32.8 -16.5 -3.2 100 110 A S S > S- 0 0 42 33,-0.1 4,-1.6 1,-0.1 5,-0.1 -0.988 76.3-112.0-158.6 162.5 35.1 -18.8 -5.3 101 111 A L H > S+ 0 0 57 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.886 117.0 54.1 -62.8 -40.8 36.0 -22.5 -5.7 102 112 A R H > S+ 0 0 135 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.940 106.8 51.6 -60.5 -42.8 39.5 -21.8 -4.4 103 113 A Q H > S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.879 107.4 52.0 -64.7 -34.4 38.1 -20.3 -1.2 104 114 A L H X S+ 0 0 1 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.943 109.0 50.9 -68.3 -37.3 35.9 -23.3 -0.7 105 115 A D H X S+ 0 0 82 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.888 109.6 51.1 -62.3 -36.9 39.1 -25.4 -1.0 106 116 A E H X S+ 0 0 19 -4,-2.5 4,-1.7 1,-0.2 -20,-0.3 0.920 112.6 46.2 -63.9 -40.7 40.7 -23.2 1.6 107 117 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.883 110.4 51.0 -69.6 -40.0 37.7 -23.6 3.9 108 118 A L H X S+ 0 0 16 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.871 106.6 56.7 -68.8 -33.4 37.5 -27.4 3.5 109 119 A H H X S+ 0 0 106 -4,-2.0 4,-1.9 -5,-0.3 3,-0.4 0.948 108.0 46.8 -60.4 -44.6 41.2 -27.6 4.3 110 120 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.3 6,-0.4 0.870 106.2 58.2 -69.8 -29.6 40.6 -25.8 7.6 111 121 A V H X S+ 0 0 11 -4,-2.2 4,-1.5 1,-0.2 5,-0.3 0.889 107.7 48.9 -61.3 -31.3 37.7 -28.1 8.3 112 122 A R H < S+ 0 0 146 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.895 112.4 46.7 -76.4 -39.3 40.2 -31.0 8.0 113 123 A R H < S+ 0 0 144 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.780 123.5 31.9 -66.1 -33.7 42.7 -29.4 10.3 114 124 A T H < S- 0 0 43 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.648 91.8-133.2-104.0 -17.1 40.2 -28.4 13.0 115 125 A G < + 0 0 67 -4,-1.5 2,-0.6 -5,-0.3 -3,-0.1 0.716 62.6 139.4 66.0 19.8 37.7 -31.2 12.7 116 126 A R - 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