==== 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 TRANSFERASE 12-JUL-10 3NX3 . COMPND 2 MOLECULE: ACETYLORNITHINE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI SUBSP. JEJUNI; . AUTHOR S.M.ANDERSON,Z.WAWRZAK,O.ONOPRIYENKO,T.SKARINA,W.F.ANDERSON, . 768 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28190.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 570 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 40 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 246 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.3 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 7 2 0 2 0 0 2 2 0 0 4 0 4 0 2 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 2 4 6 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 4 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 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 8 A Q 0 0 86 0, 0.0 4,-0.1 0, 0.0 142,-0.0 0.000 360.0 360.0 360.0 -29.1 14.7 -17.5 -30.0 2 9 A S - 0 0 17 2,-0.1 2,-0.1 140,-0.1 3,-0.1 0.676 360.0 -12.6 -79.5 -17.6 12.9 -18.1 -26.7 3 10 A H S S+ 0 0 11 1,-0.2 2,-0.4 482,-0.0 127,-0.0 -0.154 116.6 7.5-146.8-122.0 14.1 -14.8 -25.1 4 11 A I - 0 0 6 -2,-0.1 649,-0.2 478,-0.1 -1,-0.2 -0.652 64.6-134.5 -84.5 130.4 16.8 -12.2 -25.8 5 12 A I B -A 652 0A 9 647,-2.9 647,-2.2 -2,-0.4 2,-0.1 -0.738 19.4-141.3 -90.0 125.7 18.6 -12.5 -29.1 6 13 A P >> - 0 0 17 0, 0.0 3,-2.0 0, 0.0 4,-0.6 -0.392 26.9-100.0 -84.6 162.4 22.5 -12.2 -29.0 7 14 A T G >4 S+ 0 0 53 1,-0.3 3,-1.3 2,-0.2 -2,-0.0 0.820 116.9 61.0 -50.0 -41.7 24.7 -10.4 -31.5 8 15 A Y G 34 S+ 0 0 186 1,-0.3 -1,-0.3 3,-0.0 643,-0.0 0.677 102.0 53.9 -68.9 -13.2 25.8 -13.5 -33.3 9 16 A K G <4 S+ 0 0 89 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.657 100.8 72.4 -90.2 -17.9 22.2 -14.3 -34.3 10 17 A R S << S- 0 0 29 -3,-1.3 2,-0.3 -4,-0.6 439,-0.2 -0.534 85.1-108.8 -96.9 162.6 21.5 -10.9 -35.9 11 18 A F - 0 0 37 437,-3.4 2,-2.1 -2,-0.2 439,-0.2 -0.701 21.4-124.4 -91.2 143.2 22.8 -9.5 -39.2 12 19 A D S S+ 0 0 157 -2,-0.3 2,-0.4 437,-0.1 437,-0.1 -0.320 76.2 112.4 -79.9 56.4 25.4 -6.7 -39.3 13 20 A I - 0 0 12 -2,-2.1 437,-2.5 435,-0.2 2,-0.7 -0.997 55.7-152.2-135.5 128.0 23.0 -4.6 -41.4 14 21 A V B -b 450 0B 35 -2,-0.4 12,-1.7 435,-0.2 2,-0.3 -0.893 17.2-152.7-102.0 112.0 21.3 -1.4 -40.5 15 22 A L E +C 25 0C 1 435,-2.2 437,-0.4 -2,-0.7 10,-0.3 -0.630 22.3 167.7 -86.5 143.0 18.0 -0.9 -42.4 16 23 A E E - 0 0 69 8,-2.8 2,-0.3 1,-0.4 9,-0.2 0.697 57.0 -11.9-121.3 -44.3 16.8 2.6 -43.0 17 24 A K E -C 24 0C 96 7,-1.4 7,-3.3 8,-0.0 -1,-0.4 -0.943 52.3-148.8-155.8 173.2 14.0 2.6 -45.6 18 25 A G E -C 23 0C 1 423,-1.2 2,-0.3 -2,-0.3 5,-0.2 -0.970 4.6-165.5-146.7 159.9 12.2 0.5 -48.2 19 26 A Q E > -C 22 0C 113 3,-2.7 3,-2.0 -2,-0.3 2,-0.2 -0.868 64.9 -44.5-151.4 117.6 10.4 0.8 -51.5 20 27 A G B 3 S-F 45 0D 23 25,-2.5 25,-2.7 -2,-0.3 27,-0.1 -0.450 126.4 -15.4 61.4-126.8 8.3 -1.9 -53.0 21 28 A V T 3 S+ 0 0 4 -2,-0.2 12,-2.8 23,-0.2 2,-0.3 0.362 121.7 92.5 -90.8 7.4 10.1 -5.3 -52.7 22 29 A Y E < -CD 19 32C 38 -3,-2.0 -3,-2.7 10,-0.2 2,-0.3 -0.812 55.0-161.6-107.5 142.3 13.4 -3.5 -51.9 23 30 A L E -CD 18 31C 4 8,-2.4 8,-3.1 -2,-0.3 2,-0.4 -0.906 9.9-149.9-113.6 147.6 15.1 -2.6 -48.6 24 31 A F E -CD 17 30C 39 -7,-3.3 -8,-2.8 -2,-0.3 -7,-1.4 -0.966 6.3-148.5-120.1 132.3 17.9 -0.0 -48.2 25 32 A D E > -C 15 0C 15 4,-1.8 3,-1.7 -2,-0.4 -10,-0.2 -0.223 41.9 -88.2 -87.8-176.6 20.6 -0.1 -45.6 26 33 A D T 3 S+ 0 0 57 -12,-1.7 -11,-0.1 1,-0.3 -1,-0.1 0.601 128.1 59.2 -71.7 -8.4 22.2 3.0 -44.1 27 34 A K T 3 S- 0 0 164 -13,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.176 119.4-109.8 -99.7 13.8 24.8 2.9 -46.8 28 35 A A < + 0 0 78 -3,-1.7 2,-0.4 1,-0.2 -2,-0.1 0.660 65.2 156.1 63.7 18.5 22.1 3.2 -49.5 29 36 A K - 0 0 75 1,-0.0 -4,-1.8 2,-0.0 2,-0.5 -0.638 37.0-138.2 -76.1 128.8 22.6 -0.4 -50.6 30 37 A K E -D 24 0C 107 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.766 21.5-172.3 -92.7 124.3 19.5 -1.8 -52.2 31 38 A Y E -D 23 0C 10 -8,-3.1 -8,-2.4 -2,-0.5 2,-0.6 -0.950 27.5-125.7-116.5 138.8 18.5 -5.3 -51.4 32 39 A L E -De 22 351C 0 318,-2.6 320,-2.6 -2,-0.4 2,-0.7 -0.703 33.1-138.4 -71.6 120.0 15.8 -7.5 -52.9 33 40 A D E + e 0 352C 0 -12,-2.8 320,-0.1 -2,-0.6 344,-0.1 -0.745 36.2 163.3 -89.0 114.7 13.9 -8.5 -49.8 34 41 A F S S+ 0 0 0 318,-1.8 330,-2.8 -2,-0.7 320,-0.2 0.160 72.1 57.1-113.8 21.8 12.9 -12.2 -50.0 35 42 A S S >> S- 0 0 1 328,-0.2 4,-2.5 318,-0.1 3,-1.1 0.539 82.8-145.6-124.3 -20.1 12.0 -12.4 -46.3 36 43 A S H 3>>S- 0 0 0 1,-0.3 5,-2.6 2,-0.2 4,-1.7 0.773 73.5 -60.1 55.7 29.6 9.4 -9.8 -45.7 37 44 A G H 345S- 0 0 4 3,-0.2 -1,-0.3 2,-0.2 410,-0.1 0.880 112.6 -40.3 64.5 36.4 10.8 -9.1 -42.2 38 45 A I H <45S- 0 0 27 -3,-1.1 -2,-0.2 1,-0.1 -1,-0.2 0.923 119.1 -43.2 69.6 52.6 10.0 -12.7 -41.4 39 46 A G H <5S+ 0 0 2 -4,-2.5 203,-0.5 325,-0.4 3,-0.2 0.632 117.2 104.8 78.5 15.6 6.7 -13.0 -43.2 40 47 A V T <5 + 0 0 11 -4,-1.7 2,-1.9 -5,-0.3 205,-0.3 0.893 60.6 64.0 -92.1 -48.0 5.3 -9.6 -42.0 41 48 A C > < + 0 0 4 -5,-2.6 3,-2.0 1,-0.2 -1,-0.2 -0.439 53.2 161.0 -89.7 69.8 5.5 -7.1 -44.8 42 49 A A T 3 S+ 0 0 0 -2,-1.9 325,-1.6 1,-0.3 326,-0.8 0.792 78.1 45.9 -56.7 -33.1 3.1 -8.7 -47.3 43 50 A L T 3 S- 0 0 3 1,-0.4 -1,-0.3 -3,-0.2 -23,-0.1 0.227 108.3-132.0 -97.4 14.2 2.7 -5.4 -49.2 44 51 A G < - 0 0 10 -3,-2.0 2,-0.4 -23,-0.1 -1,-0.4 -0.378 49.3 -27.8 68.2-146.5 6.4 -4.7 -49.3 45 52 A Y B S-F 20 0D 8 -25,-2.7 -25,-2.5 1,-0.2 -23,-0.1 -0.861 116.3 -5.7-117.9 139.5 7.7 -1.3 -48.3 46 53 A N S S- 0 0 23 -2,-0.4 2,-0.4 -27,-0.2 -1,-0.2 0.911 72.1-170.6 47.7 48.7 6.2 2.1 -48.4 47 54 A H > - 0 0 23 -3,-0.3 4,-3.0 1,-0.2 5,-0.3 -0.597 18.9-139.9 -66.6 123.4 3.1 0.9 -50.2 48 55 A A H > S+ 0 0 80 -2,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.887 97.5 45.0 -59.4 -44.1 1.4 4.2 -51.2 49 56 A K H > S+ 0 0 82 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 115.6 46.7 -67.2 -44.7 -2.1 3.0 -50.5 50 57 A F H > S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.953 113.1 48.6 -62.5 -50.7 -1.2 1.4 -47.2 51 58 A N H X S+ 0 0 9 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.874 109.0 54.0 -60.0 -39.4 0.8 4.4 -46.0 52 59 A A H X S+ 0 0 55 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.928 109.8 46.7 -59.6 -46.9 -2.0 6.8 -46.9 53 60 A K H X S+ 0 0 74 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.896 114.0 48.3 -65.9 -36.5 -4.5 4.9 -44.9 54 61 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.940 112.4 47.6 -66.4 -48.1 -2.1 4.7 -41.9 55 62 A K H X S+ 0 0 61 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.886 108.4 55.1 -62.0 -39.3 -1.3 8.4 -42.0 56 63 A A H < S+ 0 0 63 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.898 110.6 46.0 -60.7 -38.9 -4.9 9.4 -42.3 57 64 A Q H >X S+ 0 0 11 -4,-1.6 3,-2.1 1,-0.2 4,-1.9 0.879 103.6 61.7 -74.3 -34.7 -5.7 7.4 -39.1 58 65 A V H 3< S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.3 369,-0.2 0.923 105.0 49.9 -52.3 -42.4 -2.7 8.9 -37.3 59 66 A D T 3< S+ 0 0 74 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.413 116.9 42.2 -77.6 3.5 -4.3 12.3 -37.7 60 67 A K T <4 S- 0 0 60 -3,-2.1 339,-1.0 1,-0.2 2,-0.3 0.773 125.4 -32.2-114.4 -67.1 -7.6 11.0 -36.4 61 68 A L < - 0 0 1 -4,-1.9 -1,-0.2 337,-0.2 3,-0.1 -0.910 39.1-173.4-161.3 133.5 -7.2 8.7 -33.3 62 69 A L S S+ 0 0 15 1,-0.3 215,-1.3 -2,-0.3 2,-0.3 0.826 74.7 11.4 -91.8 -37.9 -4.4 6.3 -32.2 63 70 A H + 0 0 32 212,-0.2 -1,-0.3 213,-0.2 212,-0.1 -1.000 42.5 165.3-151.3 137.7 -5.9 4.7 -29.1 64 71 A T - 0 0 4 -2,-0.3 3,-0.2 -3,-0.1 354,-0.1 0.617 45.5-124.2-120.1 -27.0 -9.2 4.5 -27.3 65 72 A S > - 0 0 11 209,-0.2 3,-1.3 1,-0.1 354,-0.1 0.030 37.9 -80.4 80.7 158.6 -8.9 1.6 -24.8 66 73 A N T 3 S+ 0 0 46 1,-0.2 -1,-0.1 352,-0.1 207,-0.0 0.520 117.9 80.8 -69.0 -7.3 -11.3 -1.3 -24.7 67 74 A L T 3 S+ 0 0 30 -3,-0.2 325,-3.2 324,-0.1 2,-0.3 0.595 93.3 48.1 -77.0 -10.7 -13.9 0.7 -22.8 68 75 A Y S < S- 0 0 6 -3,-1.3 2,-0.3 323,-0.2 327,-0.2 -0.878 80.8-115.6-129.6 158.9 -15.1 2.5 -25.9 69 76 A Y B -g 395 0E 77 325,-2.5 327,-2.5 -2,-0.3 2,-0.3 -0.641 24.1-172.8 -88.2 151.1 -16.2 1.6 -29.5 70 77 A N >> - 0 0 9 -2,-0.3 4,-1.7 325,-0.2 3,-0.6 -0.976 25.4-137.5-144.0 134.2 -14.4 2.6 -32.6 71 78 A E H 3> S+ 0 0 118 -2,-0.3 4,-2.5 325,-0.3 5,-0.2 0.833 102.4 59.8 -60.0 -35.5 -15.7 2.0 -36.2 72 79 A N H 3> S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.887 105.3 49.1 -59.3 -40.8 -12.3 1.0 -37.4 73 80 A I H <> S+ 0 0 10 -3,-0.6 4,-2.5 2,-0.2 5,-0.2 0.938 110.7 49.0 -67.8 -45.3 -12.2 -1.9 -35.0 74 81 A A H X S+ 0 0 54 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.910 112.8 48.3 -57.6 -44.0 -15.7 -3.1 -35.9 75 82 A A H X S+ 0 0 43 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.899 111.1 50.1 -66.8 -38.1 -14.8 -3.0 -39.6 76 83 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.911 110.4 49.7 -67.1 -42.1 -11.5 -4.9 -39.1 77 84 A A H X S+ 0 0 7 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.915 110.4 50.8 -61.3 -42.9 -13.2 -7.6 -37.1 78 85 A K H X S+ 0 0 161 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.937 111.1 48.9 -60.1 -47.0 -15.9 -7.9 -39.8 79 86 A N H X S+ 0 0 50 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.921 115.3 42.8 -56.8 -46.8 -13.1 -8.2 -42.5 80 87 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 6,-0.3 0.861 111.7 54.0 -73.7 -35.6 -11.2 -10.9 -40.5 81 88 A A H X>S+ 0 0 18 -4,-2.8 4,-1.6 -5,-0.2 5,-0.7 0.927 112.0 46.1 -60.7 -44.4 -14.3 -12.8 -39.5 82 89 A K H <5S+ 0 0 175 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.937 115.2 45.5 -65.7 -45.8 -15.3 -13.1 -43.2 83 90 A A H <5S+ 0 0 15 -4,-2.2 142,-0.2 1,-0.2 -2,-0.2 0.869 119.2 39.9 -68.2 -36.2 -11.8 -14.1 -44.3 84 91 A S H <5S- 0 0 1 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.699 100.1-134.8 -83.1 -20.9 -11.3 -16.7 -41.6 85 92 A A T <5 + 0 0 59 -4,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.654 67.7 117.7 66.1 19.9 -14.9 -17.9 -41.9 86 93 A L < - 0 0 14 -5,-0.7 -1,-0.3 -6,-0.3 169,-0.2 -0.502 63.8-128.3-101.8-176.5 -15.1 -17.9 -38.1 87 94 A E S S+ 0 0 101 167,-1.1 2,-0.5 1,-0.2 168,-0.2 0.896 75.1 41.3-105.4 -52.4 -17.4 -15.8 -36.0 88 95 A R E -H 254 0F 26 166,-2.5 166,-2.2 -7,-0.1 2,-0.4 -0.922 61.0-156.6-118.0 124.1 -15.9 -13.7 -33.1 89 96 A V E -H 253 0F 4 -2,-0.5 183,-1.3 164,-0.2 2,-0.5 -0.744 7.5-172.0 -99.9 139.3 -12.6 -11.7 -33.4 90 97 A F E -Hi 252 272F 20 162,-1.7 162,-2.0 -2,-0.4 183,-0.2 -0.956 17.9-147.9-128.4 109.2 -10.4 -10.7 -30.4 91 98 A F E +H 251 0F 7 181,-2.9 183,-0.4 -2,-0.5 160,-0.3 -0.515 20.5 173.8 -79.4 145.3 -7.6 -8.4 -31.4 92 99 A T E -H 250 0F 15 158,-4.0 158,-2.3 181,-0.2 3,-0.1 -0.721 41.8-106.5-133.3-174.5 -4.3 -8.4 -29.5 93 100 A N S S+ 0 0 43 156,-0.3 2,-0.3 -2,-0.2 3,-0.1 0.456 90.2 2.7 -96.4 -3.5 -0.9 -6.7 -30.0 94 101 A S S > S- 0 0 10 1,-0.1 4,-1.6 154,-0.1 156,-0.2 -0.991 74.4 -94.4-169.5 168.9 1.1 -9.7 -31.3 95 102 A G H > S+ 0 0 13 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.927 119.8 51.0 -62.0 -49.2 1.2 -13.3 -32.4 96 103 A T H > S+ 0 0 19 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.885 108.9 51.9 -62.8 -33.8 2.3 -14.6 -29.0 97 104 A E H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.865 108.0 52.3 -68.6 -35.6 -0.6 -12.7 -27.3 98 105 A S H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.881 107.4 52.2 -65.0 -39.2 -3.0 -14.3 -29.7 99 106 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.923 109.4 49.7 -61.7 -43.2 -1.6 -17.7 -28.8 100 107 A E H X S+ 0 0 2 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.914 110.1 50.8 -61.3 -42.5 -2.2 -16.9 -25.1 101 108 A G H X S+ 0 0 11 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.903 109.9 49.9 -61.1 -42.8 -5.8 -15.8 -25.8 102 109 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.895 110.9 49.3 -63.1 -42.8 -6.5 -19.1 -27.7 103 110 A X H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.932 112.6 47.0 -63.1 -46.4 -5.1 -21.2 -24.9 104 111 A K H X S+ 0 0 31 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.932 111.9 51.2 -61.1 -45.0 -7.2 -19.3 -22.3 105 112 A T H X S+ 0 0 17 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.912 111.5 46.8 -58.5 -45.4 -10.3 -19.6 -24.5 106 113 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.895 111.8 51.2 -66.6 -38.2 -9.7 -23.4 -24.9 107 114 A R H X S+ 0 0 5 -4,-2.5 4,-2.5 1,-0.2 11,-0.3 0.900 112.4 46.3 -62.7 -39.8 -9.1 -23.8 -21.2 108 115 A K H X S+ 0 0 46 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.885 107.3 56.4 -73.7 -38.7 -12.3 -21.9 -20.4 109 116 A Y H X S+ 0 0 7 -4,-2.5 4,-0.7 -5,-0.2 -1,-0.2 0.940 113.3 42.3 -54.2 -47.2 -14.4 -23.9 -22.9 110 117 A A H ><>S+ 0 0 8 -4,-2.0 5,-2.8 1,-0.2 3,-1.1 0.922 111.5 54.2 -66.0 -44.5 -13.3 -27.1 -21.1 111 118 A F H ><5S+ 0 0 46 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.861 104.5 55.3 -59.5 -37.6 -13.8 -25.6 -17.7 112 119 A N H 3<5S+ 0 0 61 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.684 104.9 52.9 -73.4 -17.7 -17.4 -24.6 -18.6 113 120 A K T <<5S- 0 0 84 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.203 129.5-100.1 -94.4 12.9 -18.0 -28.3 -19.5 114 121 A G T < 5S+ 0 0 65 -3,-1.7 2,-0.7 1,-0.2 -3,-0.2 0.660 85.1 129.7 78.8 17.1 -16.7 -29.2 -16.1 115 122 A V > < - 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