==== 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 TRANSFERASE 13-JUL-07 2QLR . COMPND 2 MOLECULE: KYNURENINE/ALPHA-AMINOADIPATE AMINOTRANSFERASE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Q.HAN,R.ROBINSON,J.LI . 1700 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61640.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1183 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 91 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 152 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 96 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 206 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 515 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 45 2.6 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 7 0 8 4 0 0 3 4 4 1 4 2 0 2 0 0 0 0 0 0 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 2 7 1 10 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 . 4 10 6 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 8 0 4 2 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 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 M 0 0 188 0, 0.0 2,-1.0 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -54.1 18.8 25.6 -24.5 2 2 A N > + 0 0 89 1,-0.2 3,-0.9 2,-0.1 4,-0.3 -0.780 360.0 170.0 -92.9 89.8 18.7 22.7 -27.0 3 3 A Y G > + 0 0 15 -2,-1.0 3,-2.1 1,-0.3 -1,-0.2 0.878 65.7 72.1 -78.8 -34.8 19.2 19.9 -24.5 4 4 A A G > S+ 0 0 74 1,-0.2 3,-1.0 -3,-0.2 -1,-0.3 0.750 90.1 62.3 -43.6 -29.6 18.4 17.1 -27.0 5 5 A R G < S+ 0 0 44 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.762 102.7 48.5 -75.7 -18.4 21.8 17.9 -28.6 6 6 A F G < S+ 0 0 1 -3,-2.1 2,-0.4 -4,-0.3 -1,-0.2 0.114 98.7 82.6-102.2 17.1 23.8 16.9 -25.5 7 7 A I S < S- 0 0 32 -3,-1.0 121,-0.2 -4,-0.1 120,-0.1 -0.985 74.4-132.9-132.0 116.9 21.9 13.6 -24.9 8 8 A T > - 0 0 12 119,-2.4 4,-2.7 -2,-0.4 5,-0.2 -0.013 26.4-111.3 -51.0 153.5 22.8 10.3 -26.8 9 9 A A H > S+ 0 0 89 2,-0.2 4,-1.2 3,-0.2 -1,-0.1 0.864 122.7 53.8 -52.9 -41.7 20.1 8.0 -28.5 10 10 A A H >4 S+ 0 0 38 2,-0.2 3,-0.6 1,-0.1 4,-0.4 0.986 113.3 37.8 -57.7 -60.2 20.9 5.6 -25.7 11 11 A S H >4 S+ 0 0 7 115,-0.2 3,-1.6 1,-0.2 -2,-0.2 0.890 112.7 58.3 -58.5 -47.9 20.3 8.1 -22.9 12 12 A A H 3< S+ 0 0 58 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.763 101.9 56.8 -46.4 -36.2 17.2 9.7 -24.7 13 13 A A T << S+ 0 0 30 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.565 78.8 118.9 -79.5 -10.9 15.6 6.2 -24.8 14 14 A R < - 0 0 23 -3,-1.6 273,-0.1 -4,-0.4 560,-0.1 -0.389 46.3-165.8 -54.4 125.3 15.8 5.8 -20.9 15 15 A N - 0 0 73 558,-0.3 2,-0.5 -2,-0.1 -2,-0.0 -0.849 34.0 -88.6-105.1 152.1 12.3 5.5 -19.4 16 16 A P + 0 0 82 0, 0.0 270,-0.1 0, 0.0 4,-0.0 -0.545 54.3 172.8 -58.1 108.4 11.7 5.8 -15.6 17 17 A S + 0 0 17 -2,-0.5 273,-0.1 269,-0.2 553,-0.1 0.508 19.2 55.4 -78.1-119.5 12.0 2.6 -13.8 18 18 A P S S+ 0 0 19 0, 0.0 59,-0.2 0, 0.0 -1,-0.1 0.354 83.6 4.5 -94.4 165.3 12.0 1.7 -10.3 19 19 A I S S+ 0 0 50 57,-0.1 4,-0.3 2,-0.0 3,-0.2 0.844 91.2 164.6 73.9 51.7 10.7 1.4 -6.8 20 20 A R > - 0 0 96 1,-0.2 2,-2.1 2,-0.1 3,-0.5 0.958 33.6 -3.0 -80.7-134.8 7.6 3.1 -8.2 21 21 A T T 3 S+ 0 0 83 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 -0.435 113.3 76.6 -61.6 58.4 3.9 4.0 -7.8 22 22 A M T 3 S+ 0 0 11 -2,-2.1 2,-0.7 -3,-0.2 4,-0.4 0.515 92.7 36.4-139.3 -66.6 4.0 2.1 -4.5 23 23 A T S < S+ 0 0 83 -3,-0.5 -2,-0.1 -4,-0.3 -3,-0.0 -0.319 119.2 63.9 -84.6 49.2 5.7 4.1 -1.7 24 24 A D S S+ 0 0 55 -2,-0.7 -1,-0.2 4,-0.0 -3,-0.1 0.598 99.7 35.0-147.4 -50.9 3.9 7.1 -3.5 25 25 A I S S+ 0 0 55 -3,-0.2 3,-0.3 1,-0.2 -2,-0.1 0.544 122.1 55.2 -89.8 -11.9 0.1 7.1 -3.4 26 26 A L S S+ 0 0 81 -4,-0.4 -1,-0.2 1,-0.2 -3,-0.1 0.196 98.3 64.0 -99.5 6.3 0.9 5.5 -0.1 27 27 A S S S+ 0 0 73 1,-0.0 -1,-0.2 0, 0.0 -4,-0.1 -0.530 119.5 20.1-118.9 62.1 3.0 8.7 0.5 28 28 A R S S+ 0 0 200 -3,-0.3 -2,-0.2 1,-0.3 -3,-0.1 0.200 106.6 103.8 155.9 -3.5 -0.1 10.9 0.4 29 29 A G S S- 0 0 28 1,-0.1 -1,-0.3 2,-0.0 -3,-0.1 -0.480 79.1 -82.8 -96.2 168.7 -2.8 8.4 1.1 30 30 A P > - 0 0 77 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.255 38.3-114.9 -68.6 159.4 -4.9 7.7 4.3 31 31 A K T 3 S+ 0 0 215 1,-0.3 -2,-0.0 3,-0.0 -5,-0.0 0.720 113.5 65.5 -73.2 -14.5 -3.4 5.5 7.0 32 32 A S T 3 S+ 0 0 98 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.641 76.8 114.6 -75.7 -20.7 -6.1 2.9 6.3 33 33 A M < - 0 0 19 -3,-1.5 2,-0.4 1,-0.1 772,-0.2 -0.132 53.3-154.5 -53.2 141.9 -4.8 2.2 2.8 34 34 A I E -a 805 0A 17 770,-1.9 772,-2.4 804,-0.0 2,-0.5 -0.993 8.1-167.3-124.1 131.8 -3.4 -1.2 2.2 35 35 A S E +a 806 0A 33 -2,-0.4 772,-0.2 770,-0.2 796,-0.1 -0.973 27.9 164.5-121.8 130.8 -0.8 -2.0 -0.4 36 36 A L + 0 0 4 770,-3.1 791,-2.1 -2,-0.5 772,-0.4 -0.039 68.1 88.0-117.2 24.9 0.3 -5.3 -1.8 37 37 A A + 0 0 2 770,-0.2 770,-0.1 789,-0.2 -14,-0.1 0.611 60.0 97.0-104.9 -15.0 1.9 -3.5 -4.8 38 38 A G - 0 0 17 -16,-0.2 789,-0.1 768,-0.1 770,-0.1 -0.296 60.3-143.5 -82.8 168.1 5.4 -2.5 -3.7 39 39 A G + 0 0 15 -2,-0.1 -1,-0.1 2,-0.1 741,-0.0 0.196 59.3 118.7-113.7 17.6 8.7 -4.4 -4.4 40 40 A L - 0 0 42 1,-0.1 789,-0.1 34,-0.0 790,-0.1 -0.669 58.9-131.4 -86.2 136.2 10.4 -3.7 -1.1 41 41 A P - 0 0 1 0, 0.0 652,-0.1 0, 0.0 -1,-0.1 -0.349 39.3 -80.7 -81.5 167.0 11.4 -6.7 1.1 42 42 A N > - 0 0 8 1,-0.2 3,-1.0 787,-0.1 4,-0.2 -0.527 34.8-157.2 -68.2 119.1 10.6 -6.9 4.9 43 43 A P G > S+ 0 0 27 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.714 83.1 76.3 -69.7 -14.3 13.3 -4.8 6.7 44 44 A N G 3 S+ 0 0 78 1,-0.2 -2,-0.1 3,-0.0 25,-0.0 0.513 85.7 63.6 -69.4 -5.2 12.7 -6.8 10.1 45 45 A M G < S+ 0 0 38 -3,-1.0 -1,-0.2 644,-0.1 703,-0.1 0.563 79.5 104.9 -96.6 -12.8 14.6 -9.8 8.7 46 46 A F S < S- 0 0 1 -3,-1.3 645,-0.2 -4,-0.2 436,-0.1 -0.519 70.1-140.2 -70.7 133.8 17.7 -7.6 8.5 47 47 A P S S+ 0 0 5 0, 0.0 435,-2.2 0, 0.0 2,-0.4 0.730 76.3 83.7 -72.4 -27.2 20.3 -8.5 11.3 48 48 A F E +B 481 0B 3 643,-0.3 433,-0.2 433,-0.2 3,-0.1 -0.680 47.7 168.3 -86.8 132.8 21.5 -5.0 12.3 49 49 A K E + 0 0 36 431,-2.4 2,-0.3 -2,-0.4 19,-0.2 0.777 55.9 14.1-120.5 -46.4 19.2 -3.3 14.8 50 50 A T E - 0 0 29 430,-0.4 430,-2.2 18,-0.1 2,-0.4 -0.965 54.8-160.3-132.7 159.6 20.9 -0.2 16.2 51 51 A A E -BC 479 63B 2 12,-1.6 12,-3.0 -2,-0.3 2,-0.4 -1.000 3.9-171.9-134.1 138.7 23.8 2.0 15.5 52 52 A V E -BC 478 62B 41 426,-2.5 426,-2.7 -2,-0.4 2,-0.4 -0.999 11.5-176.7-124.3 134.8 25.8 4.5 17.6 53 53 A I E -BC 477 61B 1 8,-2.2 8,-2.5 -2,-0.4 424,-0.2 -0.958 15.7-141.4-139.4 117.5 28.3 6.6 15.9 54 54 A T E -B 476 0B 51 422,-1.7 421,-3.4 -2,-0.4 422,-0.8 -0.550 14.4-159.2 -90.9 145.0 30.6 9.1 17.6 55 55 A V E -B 474 0B 20 3,-0.3 2,-0.6 419,-0.3 419,-0.2 -0.938 13.9-137.2-121.2 137.8 31.5 12.4 16.1 56 56 A E S S+ 0 0 105 417,-2.7 3,-0.1 -2,-0.4 -2,-0.0 -0.892 92.7 6.3 -88.0 119.4 34.4 14.8 16.8 57 57 A N S S+ 0 0 98 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.312 127.7 49.9 95.5 -3.2 33.2 18.4 17.0 58 58 A G S S- 0 0 25 415,-0.2 -3,-0.3 -3,-0.1 -1,-0.2 -0.875 97.1 -72.2-151.3-179.8 29.5 17.7 16.8 59 59 A K - 0 0 22 -2,-0.3 -3,-0.1 1396,-0.1 250,-0.1 -0.379 52.4 -87.2 -92.7 159.3 27.2 15.4 18.6 60 60 A T - 0 0 53 -5,-0.1 2,-0.5 -2,-0.1 -6,-0.2 -0.162 36.0-130.5 -62.0 149.7 26.8 11.6 18.5 61 61 A I E -C 53 0B 1 -8,-2.5 -8,-2.2 2,-0.0 2,-0.5 -0.840 20.3-168.3-109.8 128.9 24.5 10.0 16.1 62 62 A Q E -C 52 0B 86 -2,-0.5 2,-0.7 -10,-0.2 -10,-0.2 -0.944 11.7-161.9-125.1 128.9 22.0 7.3 17.1 63 63 A F E -C 51 0B 3 -12,-3.0 -12,-1.6 -2,-0.5 -2,-0.0 -0.944 19.4-162.3-107.8 105.6 20.0 5.0 14.9 64 64 A G > - 0 0 38 -2,-0.7 4,-3.4 -14,-0.2 5,-0.3 -0.100 41.6 -83.4 -69.9 178.9 17.1 3.6 16.9 65 65 A E H > S+ 0 0 122 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.914 131.3 43.5 -55.1 -52.0 15.1 0.6 15.9 66 66 A E H > S+ 0 0 134 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.942 115.5 49.1 -62.2 -56.5 12.9 2.5 13.4 67 67 A M H >> S+ 0 0 55 2,-0.2 3,-2.2 1,-0.2 4,-2.0 0.970 108.6 51.8 -34.7 -76.0 15.7 4.5 12.0 68 68 A M H 3X S+ 0 0 1 -4,-3.4 4,-2.4 1,-0.3 -2,-0.2 0.868 105.2 56.5 -42.6 -47.5 17.9 1.4 11.4 69 69 A K H 3< S+ 0 0 48 -4,-2.3 -1,-0.3 -5,-0.3 3,-0.3 0.945 111.0 43.7 -52.0 -40.7 15.1 -0.2 9.6 70 70 A R H X< S+ 0 0 92 -3,-2.2 3,-1.3 -4,-1.8 -1,-0.2 0.865 110.0 56.0 -73.2 -32.6 15.1 2.9 7.3 71 71 A A H 3< S+ 0 0 0 -4,-2.0 227,-1.0 1,-0.3 -1,-0.2 0.818 111.2 44.8 -66.5 -27.0 18.9 2.9 7.1 72 72 A L T 3< S+ 0 0 2 -4,-2.4 622,-1.9 -5,-0.3 621,-0.9 0.308 103.1 83.3 -97.0 3.9 18.8 -0.7 5.8 73 73 A Q S < S- 0 0 19 -3,-1.3 224,-0.3 620,-0.3 225,-0.1 -0.535 88.9 -86.4-103.9 166.3 15.9 -0.2 3.3 74 74 A Y - 0 0 26 -2,-0.2 620,-0.1 222,-0.1 -1,-0.1 -0.443 47.3-171.3 -64.9 157.1 15.8 1.1 -0.3 75 75 A S - 0 0 17 220,-0.1 5,-0.1 1,-0.1 222,-0.0 -0.842 35.7 -54.9-142.3 169.2 15.5 4.9 -0.7 76 76 A P > - 0 0 75 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.107 48.8-119.8 -51.7 150.8 14.8 7.4 -3.6 77 77 A S T 3 S+ 0 0 17 1,-0.3 3,-0.1 -59,-0.2 215,-0.0 0.855 111.8 43.3 -54.4 -41.9 17.2 7.2 -6.7 78 78 A A T 3 S- 0 0 19 1,-0.3 35,-3.3 216,-0.1 -1,-0.3 0.522 126.1 -83.8 -89.6 -10.4 18.4 10.7 -6.4 79 79 A G < - 0 0 1 -3,-1.0 -1,-0.3 33,-0.2 218,-0.1 -0.554 58.3 -46.2 134.4 170.4 18.9 10.5 -2.7 80 80 A I >> - 0 0 0 -2,-0.2 4,-3.3 -3,-0.1 3,-0.8 -0.506 52.8-121.2 -73.0 143.2 17.1 11.0 0.6 81 81 A P H 3> S+ 0 0 76 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.899 108.1 53.1 -53.2 -49.6 14.8 14.1 0.7 82 82 A E H 3> S+ 0 0 54 1,-0.2 4,-1.6 2,-0.2 5,-0.0 0.745 113.8 41.8 -62.7 -29.6 16.6 15.6 3.8 83 83 A L H <> S+ 0 0 0 -3,-0.8 4,-2.9 2,-0.2 5,-0.3 0.851 114.0 52.4 -86.3 -36.7 20.0 15.4 2.3 84 84 A L H X S+ 0 0 32 -4,-3.3 4,-2.3 2,-0.2 5,-0.3 0.939 112.3 46.7 -58.6 -44.6 18.7 16.6 -1.1 85 85 A S H X S+ 0 0 64 -4,-3.2 4,-2.4 -5,-0.2 5,-0.2 0.946 113.5 49.1 -63.4 -44.7 17.1 19.6 0.6 86 86 A W H X S+ 0 0 19 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.938 113.3 44.6 -62.1 -52.7 20.3 20.3 2.6 87 87 A L H X S+ 0 0 1 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.902 113.4 49.5 -56.0 -49.4 22.6 20.1 -0.5 88 88 A K H X S+ 0 0 58 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.939 112.7 48.3 -53.4 -46.6 20.2 22.3 -2.7 89 89 A Q H X S+ 0 0 86 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.887 109.8 54.0 -65.4 -35.3 20.0 24.8 -0.0 90 90 A L H X S+ 0 0 0 -4,-2.1 4,-3.3 -5,-0.2 5,-0.2 0.901 106.1 51.0 -64.1 -39.9 23.8 24.6 0.3 91 91 A Q H X>S+ 0 0 0 -4,-2.5 4,-4.9 2,-0.2 5,-1.0 0.920 110.1 50.0 -63.3 -38.6 24.3 25.4 -3.4 92 92 A I H X5S+ 0 0 49 -4,-2.0 4,-1.3 3,-0.2 -2,-0.2 0.943 112.8 45.9 -67.1 -47.6 22.0 28.4 -3.2 93 93 A K H <5S+ 0 0 116 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.943 124.8 33.8 -53.5 -51.4 23.8 29.7 -0.2 94 94 A L H <5S+ 0 0 31 -4,-3.3 -2,-0.2 -5,-0.2 -3,-0.2 0.816 137.5 13.1 -80.8 -34.0 27.2 29.0 -1.9 95 95 A H H <5S- 0 0 0 -4,-4.9 -3,-0.2 -5,-0.2 -2,-0.1 0.550 72.1-151.8-124.5 -11.6 26.6 29.6 -5.6 96 96 A N << - 0 0 108 -4,-1.3 -4,-0.2 -5,-1.0 -3,-0.1 0.884 27.1-148.6 36.1 59.5 23.3 31.4 -5.9 97 97 A P > - 0 0 1 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 -0.473 13.1-132.1 -68.8 126.5 22.9 29.8 -9.4 98 98 A P T 3 S+ 0 0 53 0, 0.0 3,-0.2 0, 0.0 150,-0.1 0.539 101.8 65.6 -48.0 -3.8 20.9 32.1 -11.8 99 99 A T T > + 0 0 2 148,-0.2 3,-2.1 1,-0.2 10,-0.8 0.520 61.5 101.7-108.2 -10.0 18.9 29.0 -12.5 100 100 A I T < S+ 0 0 43 -3,-2.1 -1,-0.2 1,-0.3 8,-0.1 0.745 94.5 32.5 -52.7 -37.0 17.1 27.9 -9.4 101 101 A H T 3 S+ 0 0 161 -3,-0.2 -1,-0.3 7,-0.1 -2,-0.1 -0.035 88.7 120.8-114.2 23.7 13.6 29.2 -10.4 102 102 A Y S < S- 0 0 60 -3,-2.1 5,-0.1 1,-0.1 -3,-0.0 -0.446 77.6 -93.2 -68.1 159.8 13.9 28.7 -14.2 103 103 A P > > - 0 0 62 0, 0.0 5,-1.2 0, 0.0 3,-0.5 -0.460 39.1-116.0 -63.7 151.7 11.2 26.4 -15.7 104 104 A P G > 5S+ 0 0 66 0, 0.0 3,-2.7 0, 0.0 4,-0.2 0.953 114.1 57.0 -64.0 -54.9 12.5 22.8 -15.9 105 105 A S G 3 5S+ 0 0 95 1,-0.3 -102,-0.2 2,-0.1 -3,-0.0 0.785 109.4 55.0 -43.0 -25.8 12.5 22.3 -19.7 106 106 A Q G < 5S- 0 0 113 -3,-0.5 -1,-0.3 -7,-0.1 -104,-0.0 0.183 130.9 -83.6 -96.5 13.6 14.8 25.5 -19.5 107 107 A G T < 5 - 0 0 0 -3,-2.7 -2,-0.1 1,-0.1 3,-0.1 0.734 53.6-176.0 94.0 21.1 17.5 24.2 -17.0 108 108 A Q < - 0 0 51 -5,-1.2 170,-2.9 -4,-0.2 -8,-0.2 -0.177 44.9 -93.4 -40.8 136.3 16.1 24.7 -13.6 109 109 A M E +E 277 0C 16 -10,-0.8 2,-0.3 168,-0.2 -1,-0.1 -0.389 53.1 176.1 -62.6 132.4 18.8 23.7 -11.2 110 110 A D E -E 276 0C 18 166,-3.2 166,-2.7 -3,-0.1 2,-0.3 -0.930 9.4-164.2-134.0 164.6 18.6 20.1 -10.1 111 111 A L E -E 275 0C 1 -2,-0.3 2,-0.3 164,-0.2 164,-0.2 -0.997 3.3-169.3-145.6 140.2 20.9 18.1 -7.9 112 112 A C E -E 274 0C 0 162,-2.2 162,-2.1 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V S > S+ 0 0 0 29,-2.2 4,-2.2 -2,-0.3 5,-0.2 0.437 70.2 88.8 -97.6 -0.5 49.2 5.8 44.4 1645 367 D K H >>S+ 0 0 83 2,-0.2 4,-3.2 1,-0.2 5,-0.5 0.924 88.5 49.6 -64.7 -46.6 48.1 2.1 44.3 1646 368 D E H >>S+ 0 0 89 -3,-0.4 4,-1.7 1,-0.2 5,-1.4 0.910 112.6 49.0 -55.1 -47.4 51.6 0.7 44.5 1647 369 D L H 4>S+ 0 0 6 -4,-0.4 5,-2.4 3,-0.2 -1,-0.2 0.892 120.9 33.8 -63.5 -49.1 52.5 2.9 47.4 1648 370 D I H <>S+ 0 0 5 -4,-2.2 5,-1.7 3,-0.2 -2,-0.2 0.949 121.8 41.9 -72.0 -53.2 49.3 2.0 49.4 1649 371 D E H <5S+ 0 0 99 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.795 130.7 21.4 -77.6 -26.6 48.6 -1.7 48.5 1650 372 D E T X>XS+ 0 0 0 -5,-2.4 5,-2.5 2,-0.2 3,-1.4 0.946 111.1 53.3 -68.8 -49.4 51.9 1.0 53.4 1653 375 D V H >4 -D 1676 0V 22 0, 0.0 3,-0.7 0, 0.0 15,-0.2 -0.200 21.0-127.1 -55.9 142.5 43.8 4.9 46.7 1662 384 D G G > S+ 0 0 0 13,-2.9 3,-1.5 11,-0.3 14,-0.1 0.552 84.4 92.2 -69.4 -7.3 41.8 7.5 44.7 1663 385 D N G > S+ 0 0 31 1,-0.3 3,-1.3 12,-0.2 -1,-0.2 0.716 70.8 65.6 -71.3 -24.3 41.0 5.5 41.6 1664 386 D A G < S+ 0 0 45 -3,-0.7 -1,-0.3 1,-0.3 -240,-0.2 0.559 90.0 69.2 -74.9 -8.1 37.6 4.0 42.6 1665 387 D F G < S+ 0 0 2 -3,-1.5 -246,-2.2 4,-0.1 2,-0.3 0.210 88.4 82.4 -99.6 17.3 36.1 7.5 42.5 1666 388 D Y S < S- 0 0 58 -3,-1.3 3,-0.4 -248,-0.2 5,-0.0 -0.921 78.3-133.1-120.1 137.4 36.5 7.8 38.7 1667 389 D V S S+ 0 0 75 -2,-0.3 2,-1.5 1,-0.3 3,-0.1 0.964 115.6 49.8 -44.4 -54.2 34.3 6.4 35.9 1668 390 D D S > S+ 0 0 94 1,-0.2 3,-1.6 -3,-0.1 -1,-0.3 -0.613 76.3 173.7 -87.9 83.2 37.6 5.3 34.5 1669 391 D S T 3 S+ 0 0 69 -2,-1.5 -1,-0.2 -3,-0.4 -4,-0.1 0.662 71.2 61.5 -67.3 -15.6 38.8 3.6 37.6 1670 392 D S T 3 S+ 0 0 103 -3,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.615 75.9 102.2 -86.3 -13.0 41.8 2.2 35.9 1671 393 D A S < S- 0 0 43 -3,-1.6 2,-0.2 -8,-0.2 -5,-0.1 -0.329 89.7 -96.9 -60.3 156.1 43.3 5.6 34.9 1672 394 D P - 0 0 92 0, 0.0 -29,-0.2 0, 0.0 -1,-0.1 -0.551 40.7-158.5 -82.5 154.3 46.1 6.2 37.3 1673 395 D S - 0 0 4 -2,-0.2 -29,-2.2 2,-0.1 -11,-0.3 -0.975 21.4-166.3-134.2 118.9 45.4 8.4 40.4 1674 396 D P + 0 0 27 0, 0.0 -36,-2.1 0, 0.0 2,-0.2 0.578 64.6 101.9 -78.2 4.5 47.8 10.4 42.6 1675 397 D Y E -C 1637 0V 60 -38,-0.2 -13,-2.9 -33,-0.1 2,-0.4 -0.487 48.3-170.9-101.9 149.5 45.1 10.9 45.3 1676 398 D L E -CD16361661V 0 -40,-1.8 -40,-2.8 -15,-0.2 2,-0.5 -0.970 14.9-145.0-134.1 142.2 44.4 9.3 48.6 1677 399 D R E -CD16351660V 10 -17,-2.0 -17,-1.7 -2,-0.4 2,-0.5 -0.965 17.4-165.7-108.3 128.0 41.3 9.7 50.8 1678 400 D A E -C 1634 0V 0 -44,-2.2 -44,-3.7 -2,-0.5 2,-0.4 -0.973 13.4-134.9-119.2 130.0 42.1 9.6 54.5 1679 401 D S E +C 1633 0V 9 -791,-2.2 4,-0.3 -2,-0.5 -46,-0.2 -0.717 20.9 180.0 -84.5 132.1 39.3 9.1 57.0 1680 402 D F + 0 0 0 -48,-1.9 -47,-0.1 -2,-0.4 -1,-0.1 0.096 53.2 104.9-119.6 21.8 39.2 11.2 60.1 1681 403 D S S S- 0 0 2 -49,-0.4 -1,-0.1 -791,-0.2 -787,-0.1 0.780 100.1 -5.1 -62.0 -28.5 36.0 9.8 61.7 1682 404 D S S S+ 0 0 72 -3,-0.2 -2,-0.1 2,-0.1 -1,-0.1 0.710 89.6 109.8-148.4 -32.4 37.8 7.8 64.4 1683 405 D A - 0 0 8 -4,-0.3 -797,-0.0 -796,-0.1 -795,-0.0 -0.230 65.5-121.2 -54.0 143.9 41.6 7.5 64.5 1684 406 D S > - 0 0 30 1,-0.1 4,-2.4 -74,-0.0 5,-0.2 -0.438 27.5 -98.5 -85.7 166.6 43.1 9.4 67.5 1685 407 D P H > S+ 0 0 76 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.943 126.6 48.3 -52.0 -50.4 45.6 12.3 67.1 1686 408 D E H > S+ 0 0 126 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.887 108.5 53.8 -56.0 -45.0 48.5 9.8 67.9 1687 409 D Q H > S+ 0 0 87 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.911 109.8 46.2 -61.4 -44.3 47.2 7.4 65.4 1688 410 D M H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 5,-0.4 0.902 108.4 58.8 -57.1 -42.5 47.1 10.0 62.6 1689 411 D D H X S+ 0 0 47 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.949 110.5 40.4 -53.4 -52.6 50.6 11.0 63.7 1690 412 D V H X S+ 0 0 66 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.924 115.1 50.9 -61.4 -48.5 52.1 7.5 63.1 1691 413 D A H X S+ 0 0 1 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.911 116.0 40.5 -54.7 -48.3 50.2 6.8 59.9 1692 414 D F H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.818 112.7 55.4 -77.8 -29.5 51.2 10.1 58.2 1693 415 D Q H X S+ 0 0 63 -4,-2.0 4,-1.8 -5,-0.4 -2,-0.2 0.967 114.3 40.5 -63.9 -48.4 54.8 9.8 59.6 1694 416 D V H X S+ 0 0 14 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.891 114.0 53.7 -63.9 -40.2 55.0 6.4 57.9 1695 417 D L H X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.3 -2,-0.2 0.960 106.7 52.4 -57.9 -49.8 53.2 7.6 54.7 1696 418 D A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 3,-0.4 0.943 107.2 50.6 -55.8 -50.6 55.6 10.4 54.3 1697 419 D Q H X S+ 0 0 63 -4,-1.8 4,-3.6 1,-0.2 -1,-0.2 0.906 110.4 51.2 -53.3 -42.0 58.7 8.2 54.5 1698 420 D L H X S+ 0 0 8 -4,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.808 107.7 52.1 -65.2 -34.2 57.1 5.9 51.9 1699 421 D I H >X S+ 0 0 0 -4,-2.1 3,-0.8 -3,-0.4 4,-0.8 0.954 114.6 41.9 -63.9 -50.1 56.5 8.9 49.6 1700 422 D K H >< S+ 0 0 118 -4,-2.4 3,-1.1 1,-0.3 -2,-0.2 0.940 112.5 53.5 -65.0 -48.0 60.2 10.0 49.9 1701 423 D E H 3< S+ 0 0 142 -4,-3.6 -1,-0.3 1,-0.2 -2,-0.2 0.722 114.9 45.2 -50.3 -20.3 61.4 6.3 49.6 1702 424 D S H << 0 0 40 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.548 360.0 360.0-107.9 -9.0 59.3 6.2 46.3 1703 425 D L << 0 0 139 -3,-1.1 -2,-0.1 -4,-0.8 -3,-0.1 0.987 360.0 360.0 -80.6 360.0 60.2 9.6 44.7