==== 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 LYASE, TRANSFERASE 16-JAN-09 3FVS . COMPND 2 MOLECULE: KYNURENINE--OXOGLUTARATE TRANSAMINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Q.HAN,H.ROBINSON,T.CAI,D.A.TAGLE,J.LI . 838 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30859.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 602 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 6.4 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 . 0 0.0 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 . 53 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 284 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.6 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 4 2 2 3 0 0 2 0 4 4 2 3 3 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 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 PARALLEL BRIDGES PER LADDER . 4 2 2 4 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 . 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 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 4 A Q 0 0 134 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.1 -0.5 9.3 16.8 2 5 A L + 0 0 46 2,-0.1 2,-0.1 527,-0.0 680,-0.0 0.889 360.0 68.7 -72.1 -46.8 -0.2 5.6 17.7 3 6 A Q S S- 0 0 43 1,-0.1 525,-0.3 2,-0.0 2,-0.1 -0.367 92.2 -96.2 -84.9 157.1 3.6 5.5 17.2 4 7 A A > - 0 0 0 523,-2.6 3,-1.7 522,-0.1 -1,-0.1 -0.386 26.5-125.8 -67.5 145.1 6.3 7.0 19.2 5 8 A R G > S+ 0 0 134 1,-0.3 3,-2.2 2,-0.2 -1,-0.1 0.714 102.1 79.4 -66.5 -19.9 7.8 10.3 17.9 6 9 A R G 3 S+ 0 0 39 1,-0.3 -1,-0.3 520,-0.1 127,-0.2 0.696 87.4 60.8 -59.0 -18.1 11.3 8.9 18.0 7 10 A L G X S+ 0 0 8 -3,-1.7 3,-1.9 520,-0.1 4,-0.3 0.470 74.5 130.2 -88.0 -4.2 10.3 7.2 14.7 8 11 A D T < S- 0 0 87 -3,-2.2 -3,-0.0 1,-0.3 -4,-0.0 -0.286 81.6 -3.5 -57.0 129.2 9.7 10.5 12.9 9 12 A G T 3 S+ 0 0 66 1,-0.1 -1,-0.3 121,-0.0 3,-0.1 0.517 112.8 89.5 72.2 7.7 11.5 10.7 9.5 10 13 A I < + 0 0 7 -3,-1.9 -2,-0.1 1,-0.1 -1,-0.1 0.234 56.3 91.1-119.6 16.0 13.2 7.3 9.8 11 14 A D + 0 0 99 -4,-0.3 2,-0.5 2,-0.0 -1,-0.1 0.680 59.3 97.7 -84.7 -21.6 10.7 5.0 8.3 12 15 A Y - 0 0 144 -3,-0.1 0, 0.0 1,-0.0 0, 0.0 -0.612 55.0-167.2 -77.4 124.5 11.9 5.2 4.7 13 16 A N > - 0 0 15 -2,-0.5 4,-0.9 1,-0.1 3,-0.4 -0.924 9.8-172.7-112.3 102.8 14.1 2.2 3.9 14 17 A P H > S+ 0 0 17 0, 0.0 4,-2.2 0, 0.0 3,-0.2 0.838 81.6 63.6 -64.6 -30.9 16.1 2.6 0.6 15 18 A W H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.829 93.9 58.9 -66.9 -35.0 17.4 -1.0 0.7 16 19 A V H > S+ 0 0 70 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.932 111.0 43.0 -58.3 -45.4 13.9 -2.6 0.4 17 20 A E H X S+ 0 0 76 -4,-0.9 4,-2.4 2,-0.2 5,-0.2 0.904 110.2 56.3 -65.8 -43.7 13.4 -0.8 -2.9 18 21 A F H X S+ 0 0 31 -4,-2.2 4,-1.7 1,-0.2 5,-0.2 0.937 109.7 45.1 -54.2 -49.4 17.0 -1.5 -4.1 19 22 A V H X S+ 0 0 60 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.900 111.3 56.3 -60.6 -40.8 16.4 -5.3 -3.6 20 23 A K H X S+ 0 0 124 -4,-1.8 4,-0.6 -5,-0.2 -2,-0.2 0.944 108.1 43.5 -55.2 -57.6 13.0 -4.9 -5.3 21 24 A L H >< S+ 0 0 20 -4,-2.4 3,-0.8 1,-0.2 4,-0.2 0.852 112.4 52.1 -62.6 -40.3 14.2 -3.4 -8.6 22 25 A A H >< S+ 0 0 5 -4,-1.7 3,-1.5 -5,-0.2 5,-0.2 0.896 104.1 58.7 -62.3 -39.8 17.2 -5.7 -9.0 23 26 A S H 3< S+ 0 0 94 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.646 100.2 57.0 -67.4 -16.3 15.0 -8.8 -8.6 24 27 A E T << S+ 0 0 106 -3,-0.8 2,-0.3 -4,-0.6 -1,-0.3 0.447 105.8 54.6 -95.5 -0.3 12.8 -7.8 -11.6 25 28 A H S < S- 0 0 69 -3,-1.5 2,-1.1 -4,-0.2 344,-0.1 -0.839 91.3-101.9-128.8 163.8 15.7 -7.7 -14.1 26 29 A D + 0 0 128 -2,-0.3 2,-0.3 343,-0.1 -3,-0.1 -0.767 65.1 161.6 -86.3 98.8 18.4 -9.9 -15.4 27 30 A V - 0 0 35 -2,-1.1 2,-0.6 -5,-0.2 346,-0.2 -0.813 53.4-133.0-124.9 156.5 21.3 -8.4 -13.4 28 31 A V E -a 373 0A 11 344,-2.3 346,-2.1 -2,-0.3 2,-1.4 -0.965 41.1-138.0 -97.1 117.4 24.8 -8.9 -12.1 29 32 A N E +a 374 0A 36 -2,-0.6 3,-0.3 1,-0.2 346,-0.1 -0.648 44.9 153.1 -92.8 90.9 24.3 -7.7 -8.6 30 33 A L + 0 0 0 -2,-1.4 367,-1.9 344,-0.8 346,-0.2 0.230 64.8 76.3 -95.5 12.8 27.2 -5.6 -7.6 31 34 A G + 0 0 4 344,-0.2 2,-0.4 365,-0.2 -1,-0.2 0.741 68.4 98.1 -89.9 -28.2 25.0 -3.7 -5.1 32 35 A Q - 0 0 67 -3,-0.3 2,-1.0 1,-0.1 4,-0.1 -0.490 66.3-148.8 -69.3 121.8 24.9 -6.5 -2.5 33 36 A G S S+ 0 0 13 -2,-0.4 -1,-0.1 365,-0.1 302,-0.1 -0.300 70.1 73.3 -89.9 49.3 27.5 -5.7 0.2 34 37 A F S S- 0 0 25 -2,-1.0 445,-0.1 365,-0.1 -2,-0.1 -0.977 89.2 -87.5-154.0 155.4 28.2 -9.4 1.0 35 38 A P - 0 0 0 0, 0.0 365,-0.2 0, 0.0 214,-0.1 -0.372 18.9-154.9 -65.2 144.8 30.1 -12.2 -0.7 36 39 A D S S+ 0 0 35 363,-0.4 364,-0.1 2,-0.1 440,-0.1 -0.054 77.4 70.8-105.5 29.3 28.2 -14.5 -3.1 37 40 A F S S- 0 0 26 362,-0.1 362,-0.0 210,-0.1 364,-0.0 -0.848 96.4 -76.8-133.3 168.1 30.7 -17.3 -2.4 38 41 A P - 0 0 58 0, 0.0 3,-0.1 0, 0.0 438,-0.1 -0.293 42.0-111.2 -66.7 153.4 31.1 -19.5 0.7 39 42 A P - 0 0 2 0, 0.0 208,-0.1 0, 0.0 209,-0.1 -0.283 59.8 -71.6 -63.8 168.0 32.7 -18.4 3.9 40 43 A P >> - 0 0 20 0, 0.0 4,-1.9 0, 0.0 3,-1.0 -0.303 46.1-111.8 -65.4 152.7 36.0 -20.3 4.5 41 44 A D H 3> S+ 0 0 118 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.864 114.6 57.8 -53.3 -42.1 35.8 -23.9 5.4 42 45 A F H 3> S+ 0 0 23 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.843 108.5 47.3 -62.3 -31.3 37.0 -23.4 9.0 43 46 A A H <> S+ 0 0 0 -3,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.945 113.8 44.5 -73.6 -49.4 34.2 -21.0 9.7 44 47 A V H X S+ 0 0 22 -4,-1.9 4,-2.5 1,-0.2 3,-0.2 0.937 114.5 51.5 -58.9 -45.2 31.4 -23.1 8.3 45 48 A E H X S+ 0 0 83 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.875 105.0 56.3 -58.1 -39.2 32.9 -26.1 10.1 46 49 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.893 109.2 45.7 -60.6 -41.6 33.0 -24.1 13.4 47 50 A F H X S+ 0 0 7 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.925 111.1 52.7 -70.7 -40.3 29.2 -23.5 13.1 48 51 A Q H X S+ 0 0 64 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.914 110.3 49.3 -57.4 -42.1 28.6 -27.1 12.2 49 52 A H H >X S+ 0 0 90 -4,-2.8 3,-0.9 1,-0.2 4,-0.5 0.904 108.2 53.4 -62.9 -42.8 30.6 -28.1 15.3 50 53 A A H 3< S+ 0 0 6 -4,-2.1 3,-0.2 1,-0.2 -1,-0.2 0.813 111.5 44.5 -65.2 -31.8 28.6 -25.7 17.5 51 54 A V H 3< S+ 0 0 5 -4,-1.8 -1,-0.2 1,-0.2 417,-0.2 0.470 120.2 40.1 -92.4 -0.6 25.2 -27.2 16.4 52 55 A S H << S+ 0 0 74 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.204 106.6 71.8-127.2 11.9 26.3 -30.8 16.7 53 56 A G S < S+ 0 0 47 -4,-0.5 2,-0.1 1,-0.3 -3,-0.1 0.282 96.6 4.2 -99.7-136.0 28.4 -30.6 19.9 54 57 A D > - 0 0 101 1,-0.2 3,-2.2 2,-0.1 -1,-0.3 -0.317 66.3-141.8 -52.6 118.7 27.4 -30.1 23.6 55 58 A F G > S+ 0 0 84 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.757 95.9 71.1 -63.2 -22.1 23.6 -30.2 23.4 56 59 A M G > S+ 0 0 52 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.653 76.5 79.5 -70.4 -13.3 23.4 -27.5 26.1 57 60 A L G < S+ 0 0 24 -3,-2.2 223,-0.3 1,-0.3 -1,-0.3 0.663 81.1 69.7 -64.3 -13.4 24.7 -25.0 23.5 58 61 A N G < S+ 0 0 6 -3,-1.9 612,-2.6 -4,-0.2 613,-0.6 0.544 94.5 69.9 -76.3 -8.3 21.1 -25.0 22.4 59 62 A Q S < S- 0 0 1 -3,-2.0 220,-0.1 610,-0.3 395,-0.0 -0.589 100.6 -63.4-107.3 168.8 20.2 -23.2 25.6 60 63 A Y - 0 0 40 -2,-0.2 -1,-0.2 1,-0.1 2,-0.2 -0.087 45.9-160.6 -47.8 143.3 20.9 -19.6 26.8 61 64 A T - 0 0 24 216,-0.4 5,-0.1 1,-0.2 -1,-0.1 -0.460 44.2 -49.5-108.6-171.0 24.4 -18.4 27.4 62 65 A K > - 0 0 100 3,-0.2 3,-1.2 -2,-0.2 215,-0.4 -0.346 50.6-121.0 -67.7 144.4 25.6 -15.5 29.5 63 66 A T T 3 S+ 0 0 16 1,-0.3 214,-0.2 213,-0.1 3,-0.1 0.850 108.6 41.1 -52.3 -46.4 23.9 -12.1 28.9 64 67 A F T 3 S- 0 0 25 1,-0.3 29,-1.7 212,-0.1 -1,-0.3 0.458 129.9 -44.3 -92.8 1.2 27.1 -10.1 27.9 65 68 A G < - 0 0 6 -3,-1.2 -1,-0.3 27,-0.2 -3,-0.2 -0.463 63.3 -76.4 148.3 148.8 28.6 -12.8 25.7 66 69 A Y >> - 0 0 43 212,-0.2 4,-2.2 -2,-0.2 3,-1.2 -0.474 52.7-129.7 -58.1 118.2 29.4 -16.5 25.4 67 70 A P H 3> S+ 0 0 61 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.853 103.7 53.0 -52.2 -43.7 32.4 -16.7 27.7 68 71 A P H 3> S+ 0 0 50 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.839 113.0 48.0 -59.0 -29.1 34.8 -18.5 25.2 69 72 A L H <> S+ 0 0 0 -3,-1.2 4,-2.7 2,-0.2 5,-0.2 0.923 111.3 46.6 -74.2 -46.2 34.0 -15.7 22.7 70 73 A T H X S+ 0 0 13 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.881 111.1 55.9 -66.3 -31.5 34.5 -12.8 25.1 71 74 A K H X S+ 0 0 148 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.940 111.9 40.2 -60.3 -52.1 37.8 -14.5 26.2 72 75 A I H X S+ 0 0 10 -4,-1.7 4,-2.9 2,-0.2 5,-0.4 0.877 114.2 53.1 -70.3 -36.0 39.2 -14.6 22.7 73 76 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.5 0.950 111.7 46.4 -61.9 -45.9 37.9 -11.2 21.7 74 77 A A H X S+ 0 0 8 -4,-2.4 4,-1.3 -5,-0.2 11,-0.4 0.904 118.5 42.1 -61.3 -42.7 39.6 -9.7 24.8 75 78 A S H X S+ 0 0 52 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.968 119.3 40.6 -68.4 -55.7 42.9 -11.5 24.1 76 79 A F H X S+ 0 0 3 -4,-2.9 4,-1.8 1,-0.2 -3,-0.2 0.940 123.2 38.1 -64.5 -49.7 43.1 -11.1 20.4 77 80 A F H X S+ 0 0 6 -4,-2.2 4,-2.6 -5,-0.4 -1,-0.2 0.801 110.2 60.7 -75.3 -27.0 41.9 -7.4 20.3 78 81 A G H X>S+ 0 0 8 -4,-1.3 5,-2.6 -5,-0.5 4,-1.1 0.924 107.1 47.6 -62.2 -41.4 43.8 -6.5 23.5 79 82 A E H ><5S+ 0 0 125 -4,-1.9 3,-0.7 3,-0.2 -2,-0.2 0.958 114.1 46.0 -60.6 -50.6 47.0 -7.5 21.7 80 83 A L H 3<5S+ 0 0 63 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.831 118.2 41.7 -63.7 -35.4 46.1 -5.5 18.6 81 84 A L H 3<5S- 0 0 9 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.562 106.1-124.2 -88.3 -9.5 45.0 -2.4 20.6 82 85 A G T <<5S+ 0 0 66 -4,-1.1 2,-0.4 -3,-0.7 -3,-0.2 0.910 72.2 123.9 62.8 44.4 47.9 -2.6 23.0 83 86 A Q < - 0 0 61 -5,-2.6 2,-0.7 -6,-0.2 -1,-0.2 -0.996 69.6-122.0-140.1 136.9 45.3 -2.7 25.8 84 87 A E - 0 0 174 -2,-0.4 2,-0.5 -3,-0.1 -9,-0.1 -0.735 37.8-166.7 -75.8 115.2 44.5 -5.0 28.7 85 88 A I - 0 0 16 -2,-0.7 -7,-0.1 -11,-0.4 -6,-0.1 -0.933 13.3-149.0-113.4 122.2 40.9 -5.9 28.0 86 89 A D > - 0 0 65 -2,-0.5 4,-2.6 1,-0.1 5,-0.3 -0.805 11.1-144.2 -87.6 124.1 38.7 -7.6 30.6 87 90 A P H > S+ 0 0 41 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.854 96.5 44.2 -56.4 -36.8 36.1 -9.9 29.0 88 91 A L H 4 S+ 0 0 119 1,-0.1 -17,-0.0 2,-0.1 -24,-0.0 0.800 125.8 27.7 -81.7 -28.1 33.4 -9.2 31.5 89 92 A R H 4 S+ 0 0 141 -3,-0.3 -1,-0.1 1,-0.1 174,-0.1 0.659 128.0 36.1-106.0 -21.5 33.8 -5.4 31.8 90 93 A N H < S+ 0 0 18 -4,-2.6 168,-2.0 173,-0.1 2,-0.4 0.344 104.8 66.9-119.9 2.4 35.2 -4.3 28.4 91 94 A V E < +B 257 0B 1 -4,-0.7 2,-0.4 -5,-0.3 166,-0.2 -0.990 48.3 179.2-130.9 133.8 33.5 -6.6 25.9 92 95 A L E -B 256 0B 0 164,-2.2 164,-2.0 -2,-0.4 2,-0.4 -0.984 20.0-143.9-131.0 126.3 29.8 -6.9 24.8 93 96 A V E +B 255 0B 1 -29,-1.7 162,-0.3 -2,-0.4 2,-0.2 -0.745 30.2 179.1 -86.4 134.3 28.6 -9.4 22.2 94 97 A T E -B 254 0B 2 160,-2.5 160,-2.4 -2,-0.4 2,-1.8 -0.749 43.5 -84.6-130.7 172.6 25.9 -7.9 20.0 95 98 A V S > S- 0 0 5 -2,-0.2 4,-2.0 158,-0.2 158,-0.3 -0.599 93.4 -58.1 -83.3 80.3 23.6 -8.7 17.1 96 99 A G H > S- 0 0 0 -2,-1.8 4,-1.9 156,-0.3 158,-0.4 0.065 78.2 -60.0 72.6 173.9 26.1 -7.7 14.5 97 100 A G H > S+ 0 0 0 156,-0.3 4,-2.5 2,-0.2 5,-0.2 0.827 137.5 59.6 -53.7 -37.5 27.9 -4.4 13.9 98 101 A Y H > S+ 0 0 10 596,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.951 106.2 45.2 -57.9 -51.4 24.3 -3.0 13.5 99 102 A G H X S+ 0 0 5 -4,-2.0 4,-2.4 595,-0.3 -1,-0.2 0.847 112.0 53.2 -61.6 -35.6 23.3 -4.1 17.0 100 103 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.931 110.8 45.9 -65.5 -45.5 26.6 -2.8 18.4 101 104 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.943 113.4 49.7 -60.2 -47.0 26.0 0.7 16.8 102 105 A F H X S+ 0 0 11 -4,-2.7 4,-2.7 591,-0.3 5,-0.2 0.913 109.9 50.8 -60.6 -42.3 22.4 0.7 18.0 103 106 A T H X S+ 0 0 8 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.912 110.7 49.3 -64.0 -42.0 23.4 -0.2 21.5 104 107 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 5,-0.3 0.932 112.8 46.5 -63.3 -47.3 26.1 2.6 21.6 105 108 A F H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.931 113.3 48.1 -61.9 -45.4 23.6 5.3 20.3 106 109 A Q H < S+ 0 0 2 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.796 114.1 48.3 -68.1 -25.9 20.9 4.2 22.7 107 110 A A H < S+ 0 0 0 -4,-1.6 317,-2.6 -5,-0.2 -1,-0.2 0.875 127.9 17.7 -75.7 -38.2 23.3 4.2 25.7 108 111 A L H < S+ 0 0 0 -4,-2.0 2,-0.4 315,-0.3 -2,-0.2 0.717 99.4 85.2-113.6 -30.4 25.0 7.6 25.0 109 112 A V < + 0 0 0 -4,-2.5 2,-0.3 -5,-0.3 25,-0.1 -0.699 53.0 173.9 -91.3 129.5 23.0 9.8 22.7 110 113 A D > - 0 0 30 -2,-0.4 3,-1.9 23,-0.1 22,-0.1 -0.774 43.3 -62.8-128.6 167.5 20.3 12.0 24.4 111 114 A E T 3 S+ 0 0 152 1,-0.3 23,-0.2 -2,-0.3 22,-0.1 -0.302 123.3 13.9 -53.4 125.5 17.9 14.7 23.4 112 115 A G T 3 S+ 0 0 27 21,-1.6 -1,-0.3 1,-0.3 22,-0.1 0.018 94.0 127.9 95.0 -26.1 19.8 17.8 22.4 113 116 A D < - 0 0 27 -3,-1.9 22,-2.8 59,-0.1 2,-0.4 -0.261 52.5-136.1 -58.6 148.4 23.2 16.0 22.0 114 117 A E E -cd 135 172B 21 57,-2.7 59,-2.9 20,-0.2 60,-1.1 -0.857 12.5-159.9-104.5 147.4 25.1 16.5 18.8 115 118 A V E -cd 136 174B 0 20,-2.0 22,-2.8 -2,-0.4 2,-0.4 -0.990 13.9-137.6-127.0 121.2 26.7 13.6 16.9 116 119 A I E -cd 137 175B 0 58,-2.5 60,-3.0 -2,-0.4 2,-0.4 -0.667 23.2-172.9 -81.5 127.8 29.4 14.3 14.4 117 120 A I E -cd 138 176B 0 20,-2.8 22,-2.3 -2,-0.4 2,-0.6 -0.975 16.6-138.7-125.4 134.3 29.1 12.1 11.2 118 121 A I E -c 139 0B 11 58,-0.7 22,-0.2 -2,-0.4 20,-0.1 -0.833 35.0-102.0 -99.9 119.5 31.7 12.0 8.4 119 122 A E E S+c 140 0B 0 20,-2.9 22,-2.8 -2,-0.6 263,-0.1 -0.702 105.4 45.4 -87.1 138.6 30.3 11.9 4.8 120 123 A P S S+ 0 0 0 0, 0.0 2,-0.4 0, 0.0 64,-0.2 0.419 90.6 177.6 -79.2 140.9 30.0 9.6 3.1 121 124 A F - 0 0 2 260,-2.5 -2,-0.1 -2,-0.1 5,-0.1 -0.903 43.1 -98.6-119.2 141.8 28.5 7.6 6.0 122 125 A F > - 0 0 8 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-3,-0.6 -2,-0.2 0.302 123.3-106.4 -90.4 7.9 18.0 8.7 20.2 133 136 A G T < 5S+ 0 0 13 -3,-1.9 -21,-1.6 1,-0.2 -3,-0.2 0.477 74.8 139.1 83.8 3.4 17.0 12.3 20.1 134 137 A G < - 0 0 10 -5,-2.3 -1,-0.2 -23,-0.2 -20,-0.2 -0.278 53.6-125.3 -79.8 164.0 20.4 13.5 18.9 135 138 A R E -c 114 0B 138 -22,-2.8 -20,-2.0 -23,-0.1 2,-0.1 -0.956 24.9-135.1-110.6 110.2 21.2 16.2 16.2 136 139 A P E -c 115 0B 24 0, 0.0 2,-0.4 0, 0.0 -20,-0.2 -0.466 17.2-164.8 -65.4 137.8 23.4 14.9 13.4 137 140 A V E -c 116 0B 14 -22,-2.8 -20,-2.8 -2,-0.1 2,-0.4 -0.997 12.9-148.8-126.6 122.5 26.2 17.3 12.5 138 141 A F E -c 117 0B 35 -2,-0.4 2,-0.4 -22,-0.2 -20,-0.2 -0.762 19.2-177.9-105.6 137.1 27.9 16.5 9.2 139 142 A V E -c 118 0B 0 -22,-2.3 -20,-2.9 -2,-0.4 2,-0.5 -1.000 22.5-140.6-124.5 134.2 31.4 17.0 7.9 140 143 A S E -c 119 0B 4 -2,-0.4 20,-0.4 -22,-0.2 2,-0.1 -0.798 9.7-129.1-100.7 127.5 32.3 16.0 4.3 141 144 A L - 0 0 0 -22,-2.8 18,-0.2 -2,-0.5 16,-0.1 -0.479 32.9-126.8 -58.9 139.3 35.4 14.3 3.1 142 145 A K B -H 158 0C 75 16,-2.5 16,-2.4 -2,-0.1 -1,-0.1 -0.873 20.9-123.0-102.0 112.6 36.7 16.5 0.2 143 146 A P - 0 0 43 0, 0.0 14,-0.2 0, 0.0 11,-0.1 -0.186 27.3-111.4 -53.1 135.4 37.3 14.5 -3.0 144 147 A G - 0 0 17 9,-0.3 2,-0.3 1,-0.1 13,-0.1 -0.425 36.3-103.4 -64.3 141.1 40.8 14.7 -4.5 145 148 A P - 0 0 131 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.581 41.0-139.2 -68.6 126.7 41.0 16.6 -7.8 146 149 A I - 0 0 73 -2,-0.3 2,-0.4 6,-0.1 5,-0.1 -0.769 11.5-155.8-100.5 130.7 41.4 14.0 -10.6 147 150 A Q - 0 0 121 3,-0.5 3,-0.2 -2,-0.4 0, 0.0 -0.851 28.1-124.5 -95.6 136.3 43.6 14.3 -13.6 148 151 A N S S+ 0 0 140 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.389 104.1 68.0 -69.9 8.2 42.4 12.2 -16.6 149 152 A G S S+ 0 0 77 1,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.929 107.6 21.0 -80.7 -68.1 45.8 10.4 -16.6 150 153 A E S S- 0 0 122 -3,-0.2 -3,-0.5 1,-0.1 -1,-0.3 -0.823 85.5-108.4-109.6 145.2 45.7 8.5 -13.3 151 154 A L - 0 0 39 -2,-0.3 178,-0.1 -3,-0.1 -1,-0.1 -0.294 36.5-106.0 -67.2 149.6 42.7 7.4 -11.3 152 155 A G - 0 0 11 176,-0.5 178,-2.9 -8,-0.1 2,-0.4 -0.274 28.5-138.1 -69.3 159.3 41.9 9.0 -7.9 153 156 A S B > -i 330 0D 19 176,-0.2 3,-1.8 1,-0.1 -9,-0.3 -0.948 16.9-128.1-119.7 142.8 42.5 7.2 -4.6 154 157 A S G > S+ 0 0 0 176,-2.6 3,-1.7 -2,-0.4 32,-0.2 0.797 109.1 69.2 -53.9 -29.8 40.2 7.1 -1.6 155 158 A S G 3 S+ 0 0 41 175,-0.4 -1,-0.3 1,-0.3 34,-0.1 0.756 89.7 62.0 -61.0 -27.4 43.2 8.2 0.4 156 159 A N G < S+ 0 0 68 -3,-1.8 2,-0.8 2,-0.1 -1,-0.3 0.450 74.5 104.7 -81.5 -4.4 43.0 11.6 -1.3 157 160 A W S < S- 0 0 6 -3,-1.7 2,-0.3 -4,-0.2 -16,-0.1 -0.740 70.5-144.5 -79.3 111.9 39.6 12.3 0.1 158 161 A Q B -H 142 0C 103 -16,-2.4 -16,-2.5 -2,-0.8 2,-0.8 -0.591 21.9-150.3 -95.7 138.9 40.5 14.8 2.8 159 162 A L - 0 0 7 -2,-0.3 -18,-0.1 -18,-0.2 -1,-0.0 -0.873 32.1-137.1 -96.6 97.2 39.2 15.5 6.3 160 163 A D > - 0 0 72 -2,-0.8 4,-2.8 -20,-0.4 5,-0.3 -0.364 4.1-146.7 -64.8 122.1 39.8 19.2 6.6 161 164 A P H > S+ 0 0 62 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.874 96.9 44.9 -56.1 -40.9 41.2 20.0 10.0 162 165 A M H > S+ 0 0 146 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.920 113.9 48.5 -71.5 -42.6 39.6 23.5 10.3 163 166 A E H 4 S+ 0 0 65 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.928 114.6 46.3 -61.3 -46.7 36.2 22.3 9.0 164 167 A L H >X S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.2 4,-0.6 0.947 110.8 51.5 -61.6 -49.9 36.2 19.3 11.4 165 168 A A H >< S+ 0 0 30 -4,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.877 104.8 58.5 -55.0 -38.5 37.3 21.4 14.4 166 169 A G T 3< S+ 0 0 62 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.623 96.0 64.0 -67.8 -14.1 34.5 23.9 13.7 167 170 A K T <4 S+ 0 0 64 -3,-1.8 2,-0.3 -4,-0.5 -1,-0.2 0.688 82.6 94.1 -82.6 -21.3 31.9 21.1 14.1 168 171 A F << + 0 0 13 -3,-1.2 2,-0.3 -4,-0.6 32,-0.0 -0.549 48.7 159.1 -76.9 136.0 32.7 20.5 17.7 169 172 A T > - 0 0 54 -2,-0.3 3,-1.3 -55,-0.1 -55,-0.1 -0.842 59.0 -89.2-140.2 179.3 30.6 22.3 20.3 170 173 A S T 3 S+ 0 0 128 -2,-0.3 -2,-0.0 1,-0.3 -56,-0.0 0.694 125.9 58.2 -65.6 -16.7 29.7 21.9 24.0 171 174 A R T 3 S+ 0 0 143 -58,-0.1 -57,-2.7 -59,-0.0 2,-0.4 0.547 74.1 116.9 -92.3 -9.2 26.8 19.7 22.8 172 175 A T E < +d 114 0B 9 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4 S+ 0 0 3 -2,-0.3 -60,-0.3 1,-0.2 152,-0.1 -0.992 93.1 15.5-102.5 126.3 31.8 2.1 3.5 183 186 A P T 4 S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 213,-0.2 -0.974 132.1 41.5 -94.5 -7.0 31.1 3.3 0.8 184 187 A L T 4 S- 0 0 0 -64,-0.2 154,-0.4 153,-0.1 -2,-0.2 0.770 86.2-134.0 -83.3 -30.7 34.3 5.0 -0.1 185 188 A G < + 0 0 0 -4,-2.3 147,-1.6 1,-0.3 148,-1.4 0.608 45.5 159.0 86.3 13.0 37.0 2.5 0.9 186 189 A K - 0 0 1 145,-0.2 -5,-2.7 146,-0.2 2,-0.6 -0.507 31.7-153.2 -70.1 135.5 39.2 5.1 2.7 187 190 A V - 0 0 11 -7,-0.2 35,-0.1 -2,-0.2 2,-0.1 -0.959 25.7-125.7-107.5 111.0 41.6 3.7 5.2 188 191 A F - 0 0 3 -2,-0.6 36,-0.4 36,-0.1 2,-0.1 -0.385 22.9-130.3 -65.3 135.8 42.2 6.6 7.7 189 192 A S > - 0 0 52 -34,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.324 22.5-107.1 -78.1 165.0 45.9 7.5 8.2 190 193 A R H > S+ 0 0 124 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.918 122.6 52.7 -55.7 -45.4 47.6 7.8 11.6 191 194 A E H > S+ 0 0 154 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.905 108.9 48.4 -59.2 -43.6 47.7 11.6 11.0 192 195 A E H > S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 113.4 48.0 -63.0 -39.7 43.9 11.7 10.3 193 196 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.865 107.9 54.3 -70.7 -34.6 43.3 9.6 13.5 194 197 A E H X S+ 0 0 98 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.858 107.8 51.7 -65.6 -33.8 45.5 11.9 15.6 195 198 A L H X S+ 0 0 35 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.952 112.5 43.8 -63.3 -51.4 43.4 14.8 14.4 196 199 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.935 115.3 50.2 -59.7 -45.5 40.2 13.1 15.4 197 200 A A H X S+ 0 0 3 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.900 107.6 53.1 -58.9 -44.9 41.8 12.0 18.7 198 201 A S H X S+ 0 0 59 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.917 113.1 43.0 -60.9 -43.2 43.1 15.5 19.5 199 202 A L H X S+ 0 0 10 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.876 111.7 53.0 -72.2 -39.1 39.6 17.0 19.1 200 203 A C H X>S+ 0 0 0 -4,-2.5 5,-2.6 -5,-0.2 4,-0.6 0.892 113.9 44.0 -62.9 -39.0 37.8 14.3 21.0 201 204 A Q H <5S+ 0 0 90 -4,-2.4 3,-0.5 3,-0.2 -2,-0.2 0.918 113.2 51.2 -69.9 -43.9 40.2 14.8 23.9 202 205 A Q H <5S+ 0 0 141 -4,-2.4 -2,-0.2 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