==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-SEP-04 1W7N . COMPND 2 MOLECULE: KYNURENINE--OXOGLUTARATE TRANSAMINASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.ROSSI,Q.HAN,J.LI,J.LI,M.RIZZI . 415 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18278.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 28 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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 3 0 1 2 1 0 0 0 2 2 1 2 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 2 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 0 PARALLEL BRIDGES PER LADDER . 1 2 1 2 1 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 0 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 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 0 219 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -38.8 -18.8 117.0 -0.5 2 5 A L + 0 0 171 2,-0.1 2,-0.1 0, 0.0 0, 0.0 0.901 360.0 63.8 -79.4 -42.7 -15.6 115.1 0.5 3 6 A Q S S- 0 0 108 1,-0.1 2,-0.2 2,-0.0 5,-0.0 -0.339 100.4-100.2 -70.5 156.9 -13.9 118.4 1.5 4 7 A A > - 0 0 35 1,-0.1 3,-1.4 -2,-0.1 4,-0.1 -0.516 29.2-118.6 -76.3 150.5 -15.3 120.5 4.4 5 8 A R G > S+ 0 0 211 1,-0.3 3,-2.5 2,-0.2 -1,-0.1 0.693 104.5 79.0 -63.0 -25.8 -17.4 123.5 3.4 6 9 A R G 3 S+ 0 0 149 1,-0.3 -1,-0.3 3,-0.1 127,-0.1 0.771 87.7 61.8 -56.1 -22.2 -15.0 126.0 5.0 7 10 A L G X S+ 0 0 72 -3,-1.4 3,-2.0 2,-0.1 4,-0.3 0.598 74.9 124.6 -77.2 -11.2 -12.9 125.5 1.8 8 11 A D T < S- 0 0 105 -3,-2.5 -3,-0.0 1,-0.3 -4,-0.0 -0.241 84.8 -2.4 -52.7 121.0 -15.8 126.8 -0.4 9 12 A G T 3 S+ 0 0 63 1,-0.1 -1,-0.3 122,-0.0 3,-0.1 0.444 113.9 84.7 84.3 -3.3 -14.4 129.7 -2.5 10 13 A I < + 0 0 40 -3,-2.0 -2,-0.1 1,-0.1 -1,-0.1 0.235 59.5 92.4-119.0 14.2 -10.9 129.9 -1.2 11 14 A D + 0 0 142 -4,-0.3 2,-0.4 2,-0.0 -1,-0.1 0.759 64.9 87.4 -84.6 -22.7 -9.1 127.3 -3.3 12 15 A Y - 0 0 148 -3,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.638 52.9-167.7 -87.2 129.9 -7.9 129.5 -6.2 13 16 A N > - 0 0 70 -2,-0.4 3,-0.9 1,-0.1 4,-0.4 -0.945 6.0-166.9-112.3 109.4 -4.6 131.3 -6.0 14 17 A P T 3 S+ 0 0 25 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.743 82.3 73.0 -71.1 -21.2 -4.3 133.9 -8.8 15 18 A W T >> S+ 0 0 68 1,-0.2 3,-1.5 2,-0.1 4,-1.1 0.893 85.2 65.7 -46.4 -51.2 -0.5 134.2 -8.0 16 19 A V H X> S+ 0 0 82 -3,-0.9 4,-2.3 1,-0.3 3,-0.9 0.842 88.0 60.7 -57.0 -63.2 0.3 130.8 -9.5 17 20 A E H 3> S+ 0 0 77 -4,-0.4 4,-1.5 1,-0.2 -1,-0.3 0.735 109.1 47.6 -16.8 -49.8 -0.4 131.4 -13.2 18 21 A F H <> S+ 0 0 16 -3,-1.5 4,-3.2 -4,-0.5 -1,-0.2 0.869 106.2 52.2 -79.6 -42.3 2.2 134.1 -13.2 19 22 A V H < S+ 0 0 4 -4,-3.2 3,-1.0 1,-0.2 -2,-0.2 0.812 105.1 54.9 -65.3 -32.5 7.7 134.0 -15.4 23 26 A S H 3< S+ 0 0 93 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.693 102.1 56.3 -79.4 -21.8 9.7 130.8 -15.2 24 27 A E T 3< S+ 0 0 110 -4,-0.6 2,-0.3 -3,-0.4 -1,-0.3 -0.005 108.9 56.1 -96.9 28.1 9.3 130.0 -18.9 25 28 A H S < S- 0 0 70 -3,-1.0 2,-0.7 345,-0.0 342,-0.1 -0.960 92.1-102.5-149.2 159.8 10.7 133.4 -19.8 26 29 A D + 0 0 124 -2,-0.3 2,-0.3 341,-0.2 -3,-0.1 -0.837 61.5 162.2 -87.7 117.1 13.9 135.3 -19.2 27 30 A V - 0 0 34 -2,-0.7 2,-0.6 -5,-0.1 344,-0.2 -0.896 52.2-130.9-139.1 155.3 12.9 137.9 -16.5 28 31 A V E -a 371 0A 9 342,-2.3 344,-2.5 -2,-0.3 2,-1.1 -0.988 41.2-139.8-100.8 115.7 13.9 140.3 -13.8 29 32 A N E +a 372 0A 41 -2,-0.6 3,-0.2 342,-0.2 344,-0.1 -0.686 43.5 151.1 -89.6 96.4 11.6 139.2 -11.0 30 33 A L + 0 0 0 342,-1.1 365,-1.5 -2,-1.1 344,-0.2 0.200 62.3 77.7-106.9 13.4 10.2 142.1 -9.1 31 34 A G S S+ 0 0 7 342,-0.2 2,-0.5 363,-0.2 -1,-0.2 0.565 70.3 104.8 -92.0 -12.1 7.0 140.3 -8.1 32 35 A Q - 0 0 64 -3,-0.2 2,-1.4 363,-0.1 342,-0.0 -0.599 64.9-149.2 -77.0 120.0 8.9 138.4 -5.4 33 36 A G S S+ 0 0 23 -2,-0.5 -1,-0.1 363,-0.1 300,-0.1 -0.187 70.2 64.7 -86.0 46.8 8.2 139.8 -1.9 34 37 A F S S- 0 0 75 -2,-1.4 -2,-0.1 363,-0.1 208,-0.1 -0.986 86.9 -85.5-162.8 153.3 11.6 139.0 -0.5 35 38 A P - 0 0 12 0, 0.0 363,-0.2 0, 0.0 212,-0.1 -0.142 15.4-159.2 -56.1 155.5 15.3 139.8 -0.8 36 39 A D S S+ 0 0 72 361,-0.2 362,-0.1 2,-0.1 -4,-0.0 0.009 76.0 75.3-120.7 19.8 17.6 138.1 -3.3 37 40 A F S S- 0 0 38 360,-0.1 360,-0.0 1,-0.1 362,-0.0 -0.837 95.5 -83.3-124.6 163.9 20.7 139.1 -1.2 38 41 A P - 0 0 101 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.227 43.1-107.4 -69.4 157.7 21.8 137.5 2.1 39 42 A P - 0 0 30 0, 0.0 206,-0.1 0, 0.0 207,-0.1 -0.306 58.2 -69.2 -68.0 167.6 20.5 138.4 5.5 40 43 A P >> - 0 0 18 0, 0.0 3,-2.0 0, 0.0 4,-1.9 -0.361 47.9-117.9 -57.2 138.2 22.7 140.5 7.8 41 44 A D H 3> S+ 0 0 118 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.817 112.1 60.7 -44.8 -41.7 25.7 138.4 9.1 42 45 A F H 3> S+ 0 0 25 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.823 109.1 43.0 -63.7 -26.1 24.7 138.7 12.7 43 46 A A H <> S+ 0 0 0 -3,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.900 113.3 47.9 -89.2 -45.0 21.4 136.9 11.9 44 47 A V H X S+ 0 0 43 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.931 115.1 48.2 -56.9 -46.3 22.7 134.2 9.6 45 48 A E H X S+ 0 0 88 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.887 104.0 60.6 -62.5 -38.7 25.4 133.5 12.2 46 49 A A H X S+ 0 0 1 -4,-1.1 4,-1.5 -5,-0.3 -1,-0.2 0.920 107.5 45.3 -54.4 -46.5 22.7 133.5 14.9 47 50 A F H X S+ 0 0 62 -4,-1.9 4,-2.1 1,-0.2 3,-0.4 0.944 109.3 55.9 -59.3 -48.2 21.1 130.5 13.0 48 51 A Q H X S+ 0 0 104 -4,-2.3 4,-0.5 1,-0.3 -2,-0.2 0.870 108.3 48.4 -56.4 -37.2 24.5 128.9 12.7 49 52 A H H X S+ 0 0 95 -4,-2.8 4,-0.9 1,-0.2 3,-0.5 0.872 107.5 54.8 -67.6 -35.5 24.9 129.0 16.4 50 53 A A H < S+ 0 0 7 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.843 114.0 39.5 -72.4 -34.6 21.5 127.6 17.1 51 54 A V H < S+ 0 0 82 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.430 121.9 44.0 -89.9 -3.7 22.1 124.5 15.0 52 55 A S H < S+ 0 0 91 -4,-0.5 -2,-0.2 -3,-0.5 -1,-0.2 0.398 107.0 65.6-116.1 1.6 25.7 124.2 16.2 53 56 A G S < S+ 0 0 46 -4,-0.9 2,-0.4 1,-0.3 -3,-0.1 0.498 96.9 7.0 -99.2-129.7 25.3 124.8 19.9 54 57 A D > - 0 0 101 1,-0.2 3,-2.3 -5,-0.1 -1,-0.3 -0.430 67.3-139.5 -61.8 114.2 23.6 123.0 22.7 55 58 A F G > S+ 0 0 148 -2,-0.4 3,-1.5 1,-0.3 -1,-0.2 0.706 95.5 69.4 -49.6 -26.7 22.4 119.7 21.2 56 59 A M G > S+ 0 0 100 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.609 76.6 82.6 -75.0 -10.4 19.0 119.8 23.0 57 60 A L G < S+ 0 0 23 -3,-2.3 221,-0.5 1,-0.2 -1,-0.3 0.490 81.8 66.4 -61.6 -5.8 18.0 122.7 20.8 58 61 A N G < S+ 0 0 90 -3,-1.5 -1,-0.2 -4,-0.1 -2,-0.2 0.638 94.3 70.0 -89.6 -16.6 17.2 120.0 18.3 59 62 A Q S < S- 0 0 107 -3,-1.6 218,-0.2 1,-0.2 -3,-0.0 -0.347 103.0 -58.5 -92.5 177.8 14.4 118.8 20.5 60 63 A Y - 0 0 182 -2,-0.1 -1,-0.2 216,-0.1 2,-0.1 -0.263 47.4-160.3 -56.3 135.4 11.0 120.4 21.4 61 64 A T - 0 0 16 214,-0.4 5,-0.1 1,-0.2 -1,-0.1 -0.421 45.3 -51.0 -97.1-174.2 10.9 123.8 23.0 62 65 A K > - 0 0 136 3,-0.2 3,-1.7 -2,-0.1 213,-0.4 -0.270 51.7-119.4 -61.1 145.0 7.9 125.3 25.0 63 66 A T T 3 S+ 0 0 29 1,-0.3 212,-0.2 211,-0.1 3,-0.1 0.897 108.3 40.8 -52.5 -54.2 4.5 125.3 23.3 64 67 A F T 3 S- 0 0 45 1,-0.3 29,-0.8 210,-0.1 -1,-0.3 0.150 131.5 -47.1 -88.8 26.5 3.8 129.1 23.2 65 68 A G < - 0 0 5 -3,-1.7 -1,-0.3 27,-0.2 -3,-0.2 -0.206 63.7 -76.8 123.8 142.6 7.3 130.0 22.2 66 69 A Y >> - 0 0 41 210,-0.1 3,-1.8 1,-0.1 4,-1.4 -0.624 48.2-131.4 -72.7 115.1 11.0 129.4 23.0 67 70 A P H 3> S+ 0 0 59 0, 0.0 4,-3.9 0, 0.0 5,-0.3 0.751 103.0 55.4 -49.3 -50.2 11.5 131.5 26.2 68 71 A P H 3> S+ 0 0 48 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.920 115.4 46.0 -46.9 -41.8 14.7 133.4 25.2 69 72 A L H <> S+ 0 0 0 -3,-1.8 4,-2.6 2,-0.2 5,-0.2 0.953 114.0 43.0 -64.3 -53.4 12.6 134.4 22.2 70 73 A T H X S+ 0 0 11 -4,-1.4 4,-2.7 1,-0.2 5,-0.2 0.872 114.2 56.6 -60.9 -33.3 9.4 135.4 24.2 71 74 A K H X S+ 0 0 148 -4,-3.9 4,-1.7 -5,-0.3 -2,-0.2 0.971 111.7 37.9 -58.6 -58.3 11.7 137.1 26.7 72 75 A I H X S+ 0 0 11 -4,-2.2 4,-3.1 -5,-0.3 5,-0.4 0.872 115.7 55.2 -65.9 -37.1 13.4 139.4 24.2 73 76 A L H X>S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.6 0.977 109.1 45.8 -56.0 -59.2 10.1 139.9 22.4 74 77 A A H X5S+ 0 0 8 -4,-2.7 4,-1.1 1,-0.2 11,-0.3 0.804 118.6 44.4 -56.0 -32.8 8.2 141.1 25.5 75 78 A S H X5S+ 0 0 59 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.977 117.9 38.8 -76.8 -56.0 11.1 143.3 26.5 76 79 A F H X5S+ 0 0 1 -4,-3.1 4,-1.4 1,-0.2 -2,-0.2 0.904 124.9 38.8 -66.2 -42.0 12.0 145.0 23.1 77 80 A F H X5S+ 0 0 4 -4,-2.8 4,-3.2 -5,-0.4 5,-0.3 0.886 110.2 58.2 -79.1 -38.9 8.4 145.3 22.0 78 81 A G H XXS+ 0 0 7 -4,-1.1 5,-3.2 -5,-0.6 4,-1.3 0.902 111.1 45.7 -55.0 -42.1 7.0 146.3 25.4 79 82 A E H <5S+ 0 0 150 -4,-2.3 -1,-0.3 3,-0.2 -2,-0.2 0.885 114.3 47.4 -63.8 -40.8 9.4 149.1 25.3 80 83 A L H <5S+ 0 0 51 -4,-1.4 -2,-0.2 1,-0.2 143,-0.2 0.859 119.7 38.3 -74.9 -32.5 8.5 150.0 21.7 81 84 A L H <5S- 0 0 8 -4,-3.2 -1,-0.2 2,-0.2 -2,-0.2 0.634 108.4-121.5 -86.7 -21.1 4.8 149.9 22.3 82 85 A G T <5S+ 0 0 62 -4,-1.3 2,-0.3 -5,-0.3 -3,-0.2 0.946 71.1 122.2 72.0 55.5 5.0 151.4 25.7 83 86 A Q < - 0 0 56 -5,-3.2 2,-0.6 -9,-0.1 -1,-0.3 -1.000 69.2-113.3-154.3 145.5 3.4 148.4 27.4 84 87 A E - 0 0 173 -2,-0.3 2,-0.6 -3,-0.1 -9,-0.1 -0.727 38.4-166.6 -84.8 121.5 4.1 145.8 30.0 85 88 A I - 0 0 14 -2,-0.6 -7,-0.1 -11,-0.3 -6,-0.1 -0.919 15.1-156.9-119.3 111.8 4.4 142.5 28.3 86 89 A D >> - 0 0 60 -2,-0.6 4,-2.7 1,-0.2 3,-1.5 -0.741 14.8-146.2 -78.4 117.3 4.3 139.1 30.0 87 90 A P H 3> S+ 0 0 42 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.822 96.6 46.8 -55.0 -29.3 6.1 136.6 27.7 88 91 A L H 34 S+ 0 0 118 1,-0.2 -24,-0.1 2,-0.1 -17,-0.0 0.567 124.4 25.9 -95.7 -8.1 3.8 133.9 28.9 89 92 A R H <4 S+ 0 0 118 -3,-1.5 172,-0.2 3,-0.0 -1,-0.2 0.470 128.5 37.8-126.6 -13.5 0.4 135.6 28.7 90 93 A N H < S+ 0 0 6 -4,-2.7 166,-2.0 1,-0.1 2,-0.4 0.376 104.3 65.6-123.1 1.4 0.9 138.3 26.0 91 94 A V E < +B 255 0B 1 -4,-0.6 2,-0.4 -5,-0.3 164,-0.2 -0.996 47.4 179.3-133.4 130.5 3.3 136.6 23.4 92 95 A L E -B 254 0B 0 162,-2.3 162,-2.0 -2,-0.4 2,-0.4 -0.981 20.4-144.1-129.6 123.4 2.7 133.7 21.0 93 96 A V E +B 253 0B 0 -29,-0.8 160,-0.3 -2,-0.4 2,-0.2 -0.712 30.6 179.8 -83.2 130.2 5.4 132.6 18.5 94 97 A T E -B 252 0B 1 158,-2.9 158,-2.5 -2,-0.4 2,-2.0 -0.706 43.2 -84.3-129.0 173.1 3.7 131.5 15.3 95 98 A V S > S- 0 0 53 -2,-0.2 4,-2.0 156,-0.2 156,-0.3 -0.583 92.3 -58.1 -86.1 81.7 4.7 130.1 11.9 96 99 A G H > S- 0 0 0 -2,-2.0 4,-2.0 2,-0.2 156,-0.4 0.031 80.1 -59.9 70.5 177.1 5.4 133.4 10.4 97 100 A G H > S+ 0 0 5 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.907 138.7 59.1 -58.2 -43.7 3.0 136.3 10.1 98 101 A Y H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.926 106.0 47.9 -47.1 -54.0 0.8 133.9 8.0 99 102 A G H X S+ 0 0 15 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.914 111.0 51.9 -55.4 -42.7 0.6 131.6 11.0 100 103 A A H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.936 110.9 44.6 -65.6 -51.4 -0.2 134.5 13.3 101 104 A L H X S+ 0 0 2 -4,-2.7 4,-3.2 2,-0.2 5,-0.3 0.936 113.6 51.7 -53.6 -48.7 -3.1 135.8 11.2 102 105 A F H X S+ 0 0 66 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.936 112.3 46.1 -58.9 -43.0 -4.4 132.3 10.7 103 106 A T H X S+ 0 0 6 -4,-2.7 4,-1.3 -5,-0.2 -1,-0.2 0.934 113.1 50.0 -65.3 -44.2 -4.3 131.7 14.5 104 107 A A H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 3,-0.4 0.927 113.5 45.2 -59.5 -50.5 -5.9 135.1 15.2 105 108 A F H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.872 111.3 51.0 -62.1 -40.8 -8.8 134.4 12.7 106 109 A Q H < S+ 0 0 67 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.744 113.0 49.7 -73.6 -18.0 -9.4 130.9 13.9 107 110 A A H < S+ 0 0 27 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.927 125.8 18.5 -77.0 -48.6 -9.6 132.3 17.4 108 111 A L H < S+ 0 0 23 -4,-2.1 2,-0.4 -5,-0.1 -3,-0.2 0.751 101.3 81.6-103.7 -30.2 -12.0 135.1 16.9 109 112 A V < + 0 0 10 -4,-2.3 2,-0.3 -5,-0.3 25,-0.1 -0.700 50.4 163.4 -99.9 136.0 -14.0 134.8 13.7 110 113 A D > - 0 0 111 -2,-0.4 3,-2.3 23,-0.2 23,-0.1 -0.881 51.1 -51.1-146.1 158.9 -17.1 132.7 13.6 111 114 A E T 3 S+ 0 0 158 -2,-0.3 23,-0.2 1,-0.3 22,-0.1 -0.087 126.8 12.1 -38.7 112.4 -20.2 132.1 11.4 112 115 A G T 3 S+ 0 0 18 21,-1.9 -1,-0.3 1,-0.3 22,-0.1 -0.031 90.4 128.1 107.4 -33.9 -21.7 135.6 11.0 113 116 A D < - 0 0 25 -3,-2.3 22,-2.9 21,-0.1 2,-0.4 -0.267 50.7-140.4 -56.8 139.9 -18.9 137.8 12.3 114 117 A E E -cd 135 170B 14 55,-3.0 57,-2.9 20,-0.2 58,-1.1 -0.848 10.0-158.1-101.4 143.1 -17.9 140.5 9.9 115 118 A V E -cd 136 172B 0 20,-1.8 22,-2.9 -2,-0.4 2,-0.7 -0.984 14.8-135.8-116.4 129.8 -14.3 141.5 9.4 116 119 A I E -cd 137 173B 0 56,-2.5 58,-2.9 -2,-0.4 2,-0.4 -0.784 24.0-171.2 -87.6 119.0 -13.4 145.0 8.1 117 120 A I E -cd 138 174B 0 20,-3.0 22,-1.9 -2,-0.7 2,-0.5 -0.946 14.1-141.7-114.6 129.1 -10.7 144.6 5.5 118 121 A I E -c 139 0B 9 56,-0.6 22,-0.2 -2,-0.4 58,-0.1 -0.823 34.2 -99.5 -95.5 121.3 -9.0 147.8 4.0 119 122 A E E S+c 140 0B 0 20,-3.2 22,-2.9 -2,-0.5 261,-0.1 -0.651 106.3 45.3 -88.6 145.3 -8.2 147.7 0.3 120 123 A P S S+ 0 0 0 0, 0.0 2,-0.4 0, 0.0 62,-0.3 0.488 89.9 179.1 -70.7 139.7 -5.8 147.1 -1.0 121 124 A F - 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0 0 5 -2,-0.4 -16,-0.1 -16,-0.2 3,-0.0 -0.835 33.8-137.3 -89.0 99.4 -9.4 156.2 4.8 158 163 A D > - 0 0 57 -2,-0.9 4,-2.5 -18,-0.4 5,-0.3 -0.443 4.1-145.6 -65.0 118.8 -12.6 158.2 4.6 159 164 A P H > S+ 0 0 80 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.884 97.7 44.3 -58.4 -36.8 -13.9 158.7 8.1 160 165 A M H > S+ 0 0 155 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.905 113.4 49.7 -71.3 -43.6 -17.6 158.5 7.1 161 166 A E H > S+ 0 0 66 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.910 114.6 45.5 -56.7 -48.0 -17.1 155.4 4.8 162 167 A L H >X S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 4,-0.6 0.909 109.5 52.8 -67.6 -44.7 -15.2 153.6 7.5 163 168 A A H >< S+ 0 0 39 -4,-2.2 3,-1.1 -5,-0.3 -1,-0.2 0.879 105.8 58.7 -57.1 -38.0 -17.7 154.4 10.3 164 169 A G H 3< S+ 0 0 61 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.693 94.0 62.4 -65.1 -22.7 -20.4 153.0 8.0 165 170 A K H << S+ 0 0 66 -3,-1.3 2,-0.4 -4,-0.6 -1,-0.2 0.706 83.8 98.5 -75.3 -19.6 -18.8 149.6 7.7 166 171 A F << + 0 0 15 -3,-1.1 2,-0.3 -4,-0.6 32,-0.0 -0.569 47.0 157.2 -79.6 125.5 -19.2 149.1 11.4 167 172 A T > - 0 0 53 -2,-0.4 3,-1.6 -53,-0.1 -53,-0.1 -0.794 59.6 -91.1-132.4 177.4 -22.3 147.0 12.4 168 173 A S T 3 S+ 0 0 123 1,-0.3 -2,-0.1 -2,-0.3 -55,-0.0 0.635 123.6 60.1 -67.5 -12.0 -23.2 145.0 15.5 169 174 A R T 3 S+ 0 0 137 -56,-0.1 -55,-3.0 -57,-0.0 2,-0.5 0.464 72.7 119.7 -96.7 -0.1 -21.7 142.0 13.7 170 175 A T E < +d 114 0B 11 -3,-1.6 -55,-0.2 -57,-0.2 3,-0.1 -0.496 29.0 169.2 -68.5 115.3 -18.2 143.4 13.3 171 176 A K E - 0 0 84 -57,-2.9 33,-2.3 -2,-0.5 2,-0.3 0.857 62.4 -3.1 -88.2 -42.0 -15.7 141.1 15.1 172 177 A A E -de 115 204B 0 -58,-1.1 -56,-2.5 31,-0.2 2,-0.4 -0.921 50.1-144.5-146.5 159.1 -12.4 142.5 13.9 173 178 A L E -de 116 205B 0 31,-2.0 33,-1.0 -2,-0.3 2,-0.7 -0.996 23.9-138.7-126.0 133.9 -10.8 145.1 11.6 174 179 A V E -de 117 206B 3 -58,-2.9 -56,-0.6 -2,-0.4 2,-0.5 -0.831 22.1-176.2 -97.2 120.3 -7.6 144.0 9.9 175 180 A L E - e 0 207B 0 31,-3.1 33,-2.3 -2,-0.7 2,-0.6 -0.967 4.4-172.7-120.1 127.8 -5.1 146.9 9.9 176 181 A N E - e 0 208B 7 -2,-0.5 33,-0.2 31,-0.2 31,-0.1 -0.961 12.9-156.5-122.9 109.7 -1.9 146.3 8.1 177 182 A T S S+ 0 0 1 31,-1.2 35,-0.2 -2,-0.6 8,-0.1 -0.981 82.8 32.9-145.2 132.1 0.7 149.0 8.5 178 183 A P S S- 0 0 0 0, 0.0 33,-0.3 0, 0.0 -1,-0.3 0.512 108.0-127.7 -62.3 147.7 2.9 149.5 6.7 179 184 A N > - 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0 0 1 -2,-0.5 -342,-0.2 -11,-0.1 21,-0.2 -0.775 40.8-106.6-138.0-170.8 5.3 142.7 -11.3 374 379 A I E -L 393 0D 16 19,-1.6 19,-3.7 -2,-0.2 2,-0.5 -0.984 23.8-117.3-129.8 131.4 2.0 141.9 -9.6 375 380 A P E > -L 392 0D 3 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.497 18.8-148.6 -65.6 113.8 -1.5 142.9 -10.5 376 381 A V G > S+ 0 0 0 15,-1.7 3,-2.9 -2,-0.5 16,-0.1 0.811 89.1 78.4 -52.3 -27.5 -2.8 145.0 -7.6 377 382 A S G > S+ 0 0 0 14,-0.4 3,-1.6 1,-0.3 -1,-0.3 0.737 76.9 73.0 -61.2 -16.5 -6.3 143.8 -8.3 378 383 A I G < S+ 0 0 14 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.725 94.1 56.6 -69.3 -13.0 -5.4 140.5 -6.6 379 384 A F G < S+ 0 0 0 -3,-2.9 -258,-1.9 -4,-0.2 2,-0.3 -0.058 97.7 80.6-102.5 29.5 -5.6 142.7 -3.4 380 385 A Y S < S- 0 0 2 -3,-1.6 5,-0.1 -260,-0.2 -262,-0.0 -0.956 88.8 -97.8-131.0 155.1 -9.2 143.8 -4.0 381 386 A S >> - 0 0 3 -2,-0.3 3,-1.6 1,-0.1 4,-0.7 -0.369 44.6-113.8 -61.5 146.4 -12.6 142.4 -3.4 382 387 A V H >> S+ 0 0 100 1,-0.3 3,-1.5 2,-0.2 4,-0.6 0.931 117.6 57.8 -56.9 -46.6 -13.8 141.0 -6.7 383 388 A P H 34 S+ 0 0 87 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.781 110.2 46.4 -46.8 -28.2 -16.5 143.6 -7.0 384 389 A H H <> S+ 0 0 65 -3,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.468 85.9 84.4-102.4 -4.1 -13.8 146.3 -6.8 385 390 A Q H << S+ 0 0 21 -3,-1.5 -1,-0.2 -4,-0.7 -3,-0.1 0.812 83.3 65.2 -68.2 -30.5 -11.3 144.9 -9.3 386 391 A K T >< S+ 0 0 162 -4,-0.6 3,-0.8 -3,-0.3 -29,-0.2 0.984 110.4 33.8 -47.2 -65.5 -13.2 146.6 -12.1 387 392 A H T 34 S+ 0 0 137 -4,-0.3 3,-0.2 1,-0.3 -1,-0.2 0.763 122.3 48.6 -69.1 -27.5 -12.5 150.1 -10.8 388 393 A F T 3< S+ 0 0 9 -4,-1.7 3,-0.4 1,-0.2 -1,-0.3 -0.328 71.2 116.6-112.2 49.7 -9.0 149.3 -9.5 389 394 A D < + 0 0 17 -3,-0.8 -31,-1.5 1,-0.2 -1,-0.2 0.271 57.6 77.2 -98.9 15.4 -7.6 147.4 -12.5 390 395 A H S S+ 0 0 34 -3,-0.2 -51,-2.8 -33,-0.1 2,-0.3 0.160 72.0 84.8-113.4 18.3 -4.8 149.9 -13.2 391 396 A Y E -K 338 0D 13 -3,-0.4 -15,-1.7 -53,-0.2 -14,-0.4 -0.893 48.4-166.8-115.2 154.3 -2.0 149.3 -10.6 392 397 A I E -KL 337 375D 0 -55,-1.9 -55,-2.4 -2,-0.3 2,-0.5 -0.994 17.5-130.7-131.7 150.0 0.9 146.9 -10.5 393 398 A R E -KL 336 374D 2 -19,-3.7 -19,-1.6 -2,-0.3 2,-0.3 -0.843 20.7-174.3-110.2 131.7 3.1 146.0 -7.5 394 399 A F E -K 335 0D 0 -59,-2.8 -59,-2.0 -2,-0.5 2,-0.5 -0.852 18.1-140.9-118.5 149.0 7.0 146.0 -7.6 395 400 A C E -K 334 0D 0 -365,-1.5 -61,-0.2 -2,-0.3 -363,-0.1 -0.953 15.0-178.5-118.5 120.3 9.4 144.9 -5.0 396 401 A F + 0 0 0 -63,-1.6 2,-1.8 -2,-0.5 -62,-0.1 0.273 52.7 107.7-105.4 10.3 12.5 147.1 -4.7 397 402 A V + 0 0 0 -64,-0.5 2,-0.3 -367,-0.1 -361,-0.2 -0.620 60.0 123.1 -87.6 75.3 14.2 145.0 -2.0 398 403 A K - 0 0 4 -2,-1.8 -87,-0.1 -363,-0.2 -2,-0.0 -0.911 66.9 -91.4-138.5 159.5 16.8 143.7 -4.4 399 404 A D >> - 0 0 66 -2,-0.3 4,-2.0 1,-0.1 3,-0.9 -0.305 38.9-114.3 -61.6 154.0 20.5 143.5 -5.1 400 405 A E H 3> S+ 0 0 157 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.884 119.4 60.0 -56.1 -43.5 22.2 146.3 -7.2 401 406 A A H 3> S+ 0 0 60 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.774 106.2 47.5 -58.8 -23.9 22.8 143.6 -9.9 402 407 A T H <> S+ 0 0 24 -3,-0.9 4,-2.9 2,-0.2 -1,-0.2 0.875 109.5 50.5 -85.8 -41.8 19.0 143.2 -10.1 403 408 A L H X S+ 0 0 2 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.892 110.1 52.4 -62.0 -38.6 18.4 146.8 -10.3 404 409 A Q H X S+ 0 0 118 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.953 109.8 48.1 -56.6 -51.7 21.0 146.9 -13.1 405 410 A A H X S+ 0 0 38 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.902 109.9 52.4 -58.9 -43.0 19.1 144.1 -14.9 406 411 A M H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.981 109.3 49.7 -52.4 -57.5 15.9 145.9 -14.4 407 412 A D H X S+ 0 0 22 -4,-2.8 4,-3.4 1,-0.2 5,-0.3 0.909 109.0 52.1 -49.3 -47.8 17.5 149.0 -16.0 408 413 A E H X S+ 0 0 112 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.919 113.0 44.7 -52.2 -47.3 18.8 146.9 -18.9 409 414 A K H X S+ 0 0 30 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.879 115.6 48.3 -63.5 -42.3 15.2 145.6 -19.5 410 415 A L H X S+ 0 0 6 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.860 110.9 48.2 -68.8 -43.9 13.8 149.1 -19.1 411 416 A R H X S+ 0 0 138 -4,-3.4 4,-1.4 -5,-0.2 -2,-0.2 0.905 113.0 49.2 -64.7 -42.5 16.3 150.8 -21.5 412 417 A K H < S+ 0 0 147 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.901 114.7 45.3 -60.5 -45.0 15.7 148.1 -24.1 413 418 A W H < S+ 0 0 18 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.962 103.8 65.1 -61.2 -51.3 11.9 148.6 -23.7 414 419 A K H < S+ 0 0 125 -4,-3.0 2,-2.6 1,-0.2 -1,-0.2 0.773 77.0 83.9 -45.2 -46.8 12.3 152.4 -23.7 415 420 A V < 0 0 128 -4,-1.4 -1,-0.2 -3,-0.2 -4,-0.0 -0.398 360.0 360.0 -58.9 78.5 13.4 152.4 -27.3 416 421 A E 0 0 188 -2,-2.6 -1,-0.1 0, 0.0 -4,-0.0 -0.241 360.0 360.0 172.9 360.0 9.8 152.3 -28.3