==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-JUN-10 2XH1 . COMPND 2 MOLECULE: KYNURENINE/ALPHA-AMINOADIPATE AMINOTRANSFERASE, . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.ROSSI,V.CASAZZA,S.GARAVAGLIA,K.V.SATHYASAIKUMAR,R.SCHWARCZ . 824 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30166.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 569 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 2 0.2 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 . 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 . 48 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 256 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 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 2 3 0 4 2 0 0 0 4 2 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 1 2 2 6 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 PARALLEL BRIDGES PER LADDER . 2 5 3 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 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 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 -1 A E 0 0 109 0, 0.0 2,-0.4 0, 0.0 94,-0.1 0.000 360.0 360.0 360.0 47.0 -7.6 46.8 -0.4 2 2 A N - 0 0 126 92,-0.1 3,-0.1 93,-0.0 91,-0.0 -0.629 360.0-147.5 -97.7 170.5 -6.3 43.5 -0.2 3 3 A Y > + 0 0 10 -2,-0.4 3,-2.2 1,-0.1 4,-0.5 0.329 64.3 112.7-122.2 2.6 -2.7 44.5 0.2 4 4 A A G > S+ 0 0 61 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.822 70.0 60.3 -49.7 -43.7 -1.2 41.6 -1.7 5 5 A R G 3 S+ 0 0 71 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.679 102.2 56.3 -63.9 -15.3 0.2 43.6 -4.6 6 6 A F G < S+ 0 0 10 -3,-2.2 -1,-0.3 2,-0.1 2,-0.2 0.691 100.5 67.4 -87.3 -18.8 2.3 45.6 -2.1 7 7 A I S < S- 0 0 24 -3,-1.5 109,-0.2 -4,-0.5 2,-0.1 -0.572 77.4-107.2-113.9 164.8 4.2 42.8 -0.6 8 8 A T > - 0 0 16 107,-2.3 4,-2.8 -2,-0.2 5,-0.2 -0.440 31.1-112.9 -82.3 159.0 6.8 40.2 -1.4 9 9 A A H > S+ 0 0 86 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.888 119.0 53.1 -53.0 -42.3 6.3 36.4 -1.9 10 10 A A H 4 S+ 0 0 33 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.933 110.1 46.7 -63.8 -44.3 8.3 35.8 1.3 11 11 A S H >4 S+ 0 0 5 1,-0.2 3,-1.5 103,-0.2 -2,-0.2 0.937 112.5 49.1 -63.4 -44.8 6.2 38.1 3.3 12 12 A A H 3< S+ 0 0 59 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.769 105.1 60.9 -65.5 -25.4 3.0 36.6 1.9 13 13 A A T 3< S+ 0 0 31 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.601 78.4 114.3 -75.3 -13.2 4.3 33.1 2.7 14 14 A R < - 0 0 21 -3,-1.5 261,-0.1 -4,-0.5 536,-0.1 -0.373 47.5-167.7 -70.3 143.1 4.6 33.8 6.4 15 15 A N - 0 0 81 534,-0.2 2,-0.1 259,-0.1 537,-0.1 -0.943 25.5-110.1-129.8 145.6 2.2 31.8 8.7 16 16 A P - 0 0 89 0, 0.0 258,-0.0 0, 0.0 0, 0.0 -0.427 53.1 -91.6 -67.0 150.5 1.3 32.1 12.3 17 17 A S - 0 0 40 1,-0.1 771,-0.0 -2,-0.1 529,-0.0 -0.270 16.4-129.2 -65.6 151.6 2.7 29.3 14.4 18 18 A P 0 0 58 0, 0.0 770,-0.2 0, 0.0 -1,-0.1 0.141 360.0 360.0 -77.7 21.8 0.7 26.1 15.0 19 19 A I 0 0 143 769,-0.1 526,-0.1 765,-0.1 765,-0.1 -0.432 360.0 360.0 51.1 360.0 1.8 27.1 18.5 20 ! 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 21 33 A M 0 0 155 0, 0.0 2,-0.6 0, 0.0 760,-0.1 0.000 360.0 360.0 360.0 148.6 -5.6 24.6 35.0 22 34 A I E -a 781 0A 18 758,-1.7 760,-1.8 789,-0.1 2,-0.6 -0.947 360.0-167.3-114.1 111.1 -2.5 22.5 34.6 23 35 A S E +a 782 0A 70 -2,-0.6 784,-0.3 758,-0.2 760,-0.1 -0.868 28.6 152.9 -98.3 114.8 -0.3 23.5 31.5 24 36 A L + 0 0 1 758,-2.9 779,-2.8 -2,-0.6 760,-0.3 0.206 64.3 82.7-109.2 10.7 2.4 21.3 30.3 25 37 A A S S+ 0 0 19 758,-0.2 2,-0.1 757,-0.2 758,-0.1 0.479 72.3 90.0 -95.7 -4.1 2.1 22.6 26.8 26 38 A G - 0 0 28 756,-0.2 758,-0.1 777,-0.1 777,-0.1 -0.471 64.8-142.4-102.9 165.6 4.2 25.7 27.1 27 39 A G + 0 0 27 -2,-0.1 -1,-0.1 776,-0.1 730,-0.0 0.055 50.3 138.1-112.2 23.7 7.8 26.5 26.6 28 40 A L - 0 0 80 1,-0.1 777,-0.1 33,-0.0 -2,-0.1 -0.518 50.3-132.1 -75.7 122.8 8.4 28.9 29.5 29 41 A P - 0 0 0 0, 0.0 33,-0.1 0, 0.0 640,-0.1 -0.378 40.7 -91.1 -61.5 156.9 11.5 28.6 31.5 30 42 A N > - 0 0 10 635,-0.2 3,-1.4 1,-0.2 4,-0.3 -0.622 34.9-157.8 -71.1 117.4 10.9 28.7 35.2 31 43 A P G > S+ 0 0 26 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.630 85.3 74.5 -77.7 -14.5 11.2 32.3 36.2 32 44 A N G 3 S+ 0 0 69 1,-0.2 -2,-0.1 3,-0.0 25,-0.0 0.653 89.6 61.8 -64.5 -17.5 11.9 31.4 39.8 33 45 A M G < S+ 0 0 43 -3,-1.4 -1,-0.2 632,-0.1 691,-0.1 0.698 80.2 103.5 -81.9 -18.5 15.4 30.4 38.5 34 46 A F < - 0 0 1 -3,-0.9 633,-0.1 -4,-0.3 424,-0.1 -0.396 69.9-141.0 -67.2 136.6 16.1 34.0 37.3 35 47 A P S S+ 0 0 8 0, 0.0 423,-2.8 0, 0.0 2,-0.4 0.705 76.7 85.8 -74.2 -27.0 18.4 35.9 39.7 36 48 A F E +B 457 0B 4 631,-0.3 421,-0.3 421,-0.2 3,-0.1 -0.696 51.1 173.8 -79.2 129.0 16.8 39.3 39.7 37 49 A K E - 0 0 37 419,-3.2 2,-0.3 -2,-0.4 19,-0.3 0.802 53.6 -1.0-113.6 -38.5 14.0 39.5 42.2 38 50 A T E -B 456 0B 40 418,-0.6 418,-1.7 18,-0.1 -1,-0.3 -0.944 57.1-157.6-145.8 169.0 12.5 43.1 42.5 39 51 A A E -BC 455 51B 1 12,-1.8 12,-3.6 -2,-0.3 2,-0.4 -0.988 7.1-167.4-154.0 144.9 13.0 46.5 41.0 40 52 A V E -BC 454 50B 57 414,-2.0 414,-2.6 -2,-0.3 2,-0.5 -0.998 7.9-176.5-133.5 125.8 12.4 50.1 41.8 41 53 A I E -BC 453 49B 1 8,-2.8 8,-3.0 -2,-0.4 412,-0.2 -0.983 18.4-139.9-125.6 123.2 12.8 52.9 39.3 42 54 A T E - 0 0 44 410,-1.9 409,-1.8 -2,-0.5 410,-0.4 -0.486 8.7-153.1 -83.1 151.6 12.3 56.5 40.3 43 55 A V E > -B 450 0B 11 3,-0.3 3,-2.2 407,-0.2 407,-0.2 -0.995 31.7-103.5-123.7 128.2 10.4 58.9 38.0 44 56 A E T 3 S- 0 0 108 405,-2.3 3,-0.1 -2,-0.4 406,-0.0 -0.310 101.3 -17.4 -58.1 121.4 11.3 62.7 38.2 45 57 A N T 3 S+ 0 0 168 1,-0.2 -1,-0.3 -2,-0.1 2,-0.2 0.867 127.2 99.1 46.7 42.4 8.4 64.4 40.2 46 58 A G S < S- 0 0 34 -3,-2.2 2,-0.4 403,-0.1 -3,-0.3 -0.793 84.1 -67.7-143.5-179.2 6.4 61.2 39.4 47 59 A K - 0 0 141 -2,-0.2 250,-0.1 247,-0.1 251,-0.1 -0.615 54.0-114.7 -77.8 129.9 5.2 57.9 40.9 48 60 A T - 0 0 60 -2,-0.4 2,-0.6 -6,-0.1 -6,-0.2 -0.327 23.6-127.7 -64.9 146.1 8.0 55.4 41.4 49 61 A I E -C 41 0B 3 -8,-3.0 -8,-2.8 2,-0.0 2,-0.4 -0.859 30.8-173.6 -94.5 124.3 7.8 52.3 39.3 50 62 A Q E -C 40 0B 137 -2,-0.6 2,-0.7 -10,-0.2 -10,-0.2 -0.964 18.6-165.2-123.9 126.9 7.9 49.2 41.5 51 63 A F E -C 39 0B 4 -12,-3.6 -12,-1.8 -2,-0.4 -2,-0.0 -0.926 18.6-168.7-106.7 106.2 8.2 45.6 40.3 52 64 A G > - 0 0 39 -2,-0.7 4,-2.5 -14,-0.2 5,-0.2 -0.024 46.4 -70.8 -74.5-170.3 7.4 43.4 43.3 53 65 A E H > S+ 0 0 135 1,-0.2 4,-1.7 2,-0.2 -2,-0.0 0.909 131.8 37.6 -58.2 -52.0 8.0 39.6 43.3 54 66 A E H > S+ 0 0 133 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.849 116.2 52.7 -68.7 -35.8 5.2 38.5 40.9 55 67 A M H > S+ 0 0 59 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.881 107.0 52.8 -68.9 -39.8 5.6 41.5 38.6 56 68 A M H X S+ 0 0 2 -4,-2.5 4,-1.9 -19,-0.3 -2,-0.2 0.920 105.6 53.7 -59.8 -46.2 9.3 41.0 38.2 57 69 A K H < S+ 0 0 50 -4,-1.7 4,-0.2 -5,-0.2 -1,-0.2 0.881 111.1 47.1 -55.5 -41.1 8.8 37.3 37.2 58 70 A R H >< S+ 0 0 91 -4,-1.5 3,-1.2 1,-0.2 -2,-0.2 0.912 110.8 51.5 -64.4 -43.4 6.4 38.6 34.5 59 71 A A H 3< S+ 0 0 0 -4,-2.4 227,-0.9 1,-0.2 -2,-0.2 0.762 111.9 47.0 -61.5 -31.4 8.9 41.3 33.4 60 72 A L T 3< S+ 0 0 2 -4,-1.9 610,-2.5 225,-0.2 609,-0.8 0.380 103.7 81.2 -95.2 3.4 11.7 38.7 33.1 61 73 A Q S < S- 0 0 18 -3,-1.2 224,-0.1 608,-0.3 225,-0.0 -0.724 90.0 -83.2-111.4 153.1 9.5 36.2 31.1 62 74 A Y - 0 0 59 -2,-0.3 -1,-0.2 602,-0.1 608,-0.1 -0.111 50.4-178.0 -41.7 148.1 8.4 35.8 27.4 63 75 A S - 0 0 27 220,-0.1 5,-0.1 -4,-0.0 -1,-0.0 -0.878 35.8 -50.4-147.6 179.7 5.4 37.9 26.3 64 76 A P > - 0 0 70 0, 0.0 3,-1.4 0, 0.0 -1,-0.0 -0.244 43.9-129.2 -64.3 142.0 3.2 38.5 23.2 65 77 A S T 3 S+ 0 0 19 1,-0.3 3,-0.1 217,-0.1 36,-0.1 0.851 107.4 49.8 -53.0 -44.0 5.0 39.3 19.9 66 78 A A T 3 S- 0 0 22 1,-0.3 35,-2.7 216,-0.1 -1,-0.3 0.601 125.5 -86.2 -71.0 -11.8 2.9 42.4 19.2 67 79 A G < - 0 0 2 -3,-1.4 -1,-0.3 33,-0.2 218,-0.1 -0.552 57.2 -50.7 122.0 161.5 3.5 43.9 22.7 68 80 A I > - 0 0 0 -2,-0.2 4,-2.2 1,-0.1 3,-0.4 -0.443 54.4-119.6 -72.8 144.1 2.0 43.6 26.2 69 81 A P H > S+ 0 0 81 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.859 107.9 51.9 -61.9 -34.1 -1.8 44.2 26.3 70 82 A E H > S+ 0 0 52 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.859 111.3 46.8 -73.2 -33.5 -1.8 47.2 28.6 71 83 A L H > S+ 0 0 0 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.926 112.1 50.8 -69.4 -41.9 0.8 49.1 26.5 72 84 A L H X S+ 0 0 23 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.913 111.8 47.5 -63.6 -40.9 -1.1 48.3 23.2 73 85 A S H X S+ 0 0 68 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.921 112.8 48.8 -67.6 -41.4 -4.5 49.5 24.6 74 86 A W H X S+ 0 0 45 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.908 113.3 46.3 -59.4 -46.9 -2.9 52.7 25.9 75 87 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.877 109.1 55.7 -66.2 -34.7 -1.2 53.4 22.6 76 88 A K H X S+ 0 0 58 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.941 109.8 45.8 -63.0 -44.3 -4.4 52.6 20.7 77 89 A Q H X S+ 0 0 84 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.900 110.9 53.4 -64.7 -42.5 -6.2 55.3 22.8 78 90 A L H X S+ 0 0 19 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.947 111.1 46.3 -52.0 -49.2 -3.3 57.7 22.3 79 91 A Q H X>S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.7 0.914 112.2 50.6 -63.4 -43.0 -3.6 57.2 18.5 80 92 A I H X5S+ 0 0 46 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.939 113.6 44.8 -58.4 -47.5 -7.4 57.6 18.5 81 93 A K H <5S+ 0 0 126 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.830 120.8 37.3 -66.0 -41.1 -7.2 60.9 20.5 82 94 A L H <5S+ 0 0 50 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.840 137.5 11.8 -79.0 -36.1 -4.4 62.5 18.6 83 95 A H H <5S- 0 0 7 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.475 72.7-154.3-124.0 -14.5 -5.3 61.4 15.0 84 96 A N << - 0 0 108 -4,-1.7 -4,-0.2 -5,-0.7 -3,-0.1 0.835 26.1-147.3 28.7 65.3 -8.8 59.8 15.1 85 97 A P > - 0 0 1 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.348 11.6-135.9 -66.5 137.5 -8.0 57.7 12.0 86 98 A P G > S+ 0 0 39 0, 0.0 3,-1.0 0, 0.0 153,-0.1 0.767 99.2 71.8 -56.4 -20.8 -11.0 57.0 9.7 87 99 A T G > + 0 0 2 148,-0.3 3,-1.3 1,-0.3 10,-1.1 0.503 67.7 86.8 -85.4 -9.4 -9.8 53.5 9.6 88 100 A I G < S+ 0 0 37 -3,-1.7 -1,-0.3 1,-0.2 8,-0.1 0.849 92.5 48.5 -63.1 -25.6 -10.7 52.4 13.1 89 101 A H G < S+ 0 0 164 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.2 0.449 91.6 103.5 -95.7 0.5 -14.3 51.5 12.0 90 102 A Y S < S- 0 0 68 -3,-1.3 5,-0.1 5,-0.1 7,-0.0 -0.420 78.2-104.1 -78.8 155.0 -13.2 49.4 8.9 91 103 A P > > - 0 0 73 0, 0.0 5,-1.2 0, 0.0 3,-1.0 -0.432 40.9-103.1 -64.8 155.8 -13.2 45.6 8.6 92 104 A P G > 5S+ 0 0 63 0, 0.0 3,-2.3 0, 0.0 4,-0.4 0.902 120.5 51.5 -45.8 -53.2 -9.7 43.9 8.9 93 105 A S G 3 5S+ 0 0 69 1,-0.3 -3,-0.0 2,-0.2 0, 0.0 0.751 105.5 55.3 -62.9 -26.8 -9.4 43.3 5.1 94 106 A Q G < 5S- 0 0 69 -3,-1.0 -1,-0.3 -7,-0.1 -92,-0.1 0.304 132.6 -87.5 -90.2 5.1 -10.2 46.9 4.2 95 107 A G T < 5 - 0 0 0 -3,-2.3 -2,-0.2 -4,-0.2 3,-0.1 0.788 51.8-165.7 100.7 33.0 -7.4 48.1 6.5 96 108 A Q < - 0 0 59 -5,-1.2 170,-1.9 -4,-0.4 -8,-0.2 -0.204 37.9 -93.1 -44.1 134.6 -8.7 48.4 10.0 97 109 A M E +E 265 0C 11 -10,-1.1 2,-0.3 168,-0.2 -1,-0.1 -0.259 56.7 166.6 -53.5 127.3 -6.3 50.4 12.3 98 110 A D E -E 264 0C 20 166,-2.0 166,-2.4 -3,-0.1 2,-0.3 -0.937 16.1-158.6-141.6 167.0 -3.9 48.2 14.2 99 111 A L E -E 263 0C 2 -2,-0.3 2,-0.3 164,-0.2 164,-0.2 -0.951 6.9-173.0-142.7 153.1 -0.7 48.7 16.2 100 112 A C E -E 262 0C 0 162,-1.9 162,-2.6 -2,-0.3 2,-0.3 -0.976 27.0-122.0-148.6 147.4 2.3 46.8 17.4 101 113 A V E -E 261 0C 0 -35,-2.7 2,-0.3 -2,-0.3 160,-0.3 -0.719 34.7-167.5 -81.9 138.2 5.2 47.7 19.7 102 114 A T E -E 260 0C 0 158,-2.3 158,-2.5 -2,-0.3 2,-2.0 -0.820 37.3 -98.4-125.6 163.5 8.6 47.4 18.0 103 115 A S S S- 0 0 9 -2,-0.3 156,-0.3 156,-0.2 4,-0.2 -0.548 101.8 -32.5 -81.6 74.6 12.2 47.4 19.3 104 116 A G S >> S- 0 0 0 -2,-2.0 4,-1.0 2,-0.1 3,-0.5 0.063 80.1 -86.7 84.3 160.0 12.5 51.0 18.4 105 117 A S H 3> S+ 0 0 15 154,-0.3 4,-2.3 1,-0.2 5,-0.2 0.824 123.8 68.2 -69.1 -27.8 10.8 52.7 15.4 106 118 A Q H 3> S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.858 95.8 54.2 -55.9 -37.5 13.7 51.6 13.1 107 119 A Q H <> S+ 0 0 3 -3,-0.5 4,-2.8 -4,-0.2 -1,-0.2 0.953 107.5 49.8 -65.4 -48.0 12.7 48.0 13.5 108 120 A G H X S+ 0 0 0 -4,-1.0 4,-2.3 1,-0.2 -2,-0.2 0.948 114.1 45.2 -49.7 -55.6 9.2 48.8 12.3 109 121 A L H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.878 112.6 50.2 -57.2 -46.3 10.5 50.7 9.3 110 122 A C H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.939 112.1 47.5 -62.3 -45.7 13.0 48.0 8.4 111 123 A K H X S+ 0 0 4 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.885 112.1 50.6 -64.0 -36.4 10.4 45.3 8.6 112 124 A V H X S+ 0 0 1 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.936 110.9 48.0 -65.1 -48.0 8.0 47.4 6.5 113 125 A F H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 3,-0.3 0.930 113.6 47.8 -57.4 -44.4 10.6 48.0 3.8 114 126 A E H < S+ 0 0 35 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.864 109.5 54.7 -66.3 -39.2 11.5 44.2 3.7 115 127 A M H < S+ 0 0 6 -4,-2.2 -107,-2.3 -5,-0.2 -1,-0.2 0.852 119.8 30.1 -58.2 -36.4 7.7 43.4 3.5 116 128 A I H < S+ 0 0 0 -4,-1.5 2,-0.5 -3,-0.3 -2,-0.2 0.842 94.9 90.8 -98.3 -37.8 7.2 45.5 0.5 117 129 A I < + 0 0 10 -4,-2.5 -109,-0.1 -5,-0.2 -1,-0.1 -0.576 38.4 178.2 -90.2 122.0 10.3 45.7 -1.7 118 130 A N > - 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