==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-OCT-12 4BC4 . COMPND 2 MOLECULE: XYLULOSE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.D.BUNKER,K.M.LOOMES,E.N.BAKER . 1574 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55846.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1088 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 225 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 67 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 160 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 474 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 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 8 9 3 6 6 3 6 9 0 0 0 3 0 3 0 0 0 2 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 6 3 0 3 0 3 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 . 6 9 9 6 6 0 9 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 . 3 9 0 0 0 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 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 7 A R 0 0 175 0, 0.0 81,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 73.5 -47.0 -5.1 -14.9 2 8 A R + 0 0 172 81,-0.1 19,-1.1 79,-0.0 2,-0.3 -0.370 360.0 171.0 -67.7 145.2 -50.3 -7.0 -14.9 3 9 A C E -Ab 20 83A 1 79,-2.5 81,-2.9 17,-0.2 82,-0.8 -0.927 32.5-130.0-149.7 170.1 -51.3 -8.4 -11.4 4 10 A C E -Ab 19 85A 0 15,-2.3 15,-2.6 -2,-0.3 2,-0.4 -0.963 24.8-131.4-119.9 148.8 -53.8 -10.0 -9.2 5 11 A L E -Ab 18 86A 0 80,-1.7 82,-2.0 -2,-0.4 2,-0.5 -0.809 12.8-160.7 -97.3 140.2 -54.8 -8.8 -5.7 6 12 A G E -Ab 17 87A 0 11,-2.6 11,-1.8 -2,-0.4 82,-0.2 -0.974 14.1-164.5-122.5 113.2 -55.0 -11.2 -2.8 7 13 A W E -Ab 16 88A 0 80,-2.2 82,-1.9 -2,-0.5 2,-0.3 -0.622 12.1-165.5 -96.6 156.1 -57.1 -10.0 0.2 8 14 A D E -Ab 15 89A 13 7,-2.5 7,-2.3 -2,-0.2 2,-1.2 -0.890 6.7-165.9-145.6 106.9 -57.3 -11.1 3.8 9 15 A F E +Ab 14 90A 2 80,-2.9 82,-2.6 -2,-0.3 5,-0.2 -0.830 34.9 175.0 -90.8 85.6 -60.2 -10.0 6.0 10 16 A S - 0 0 25 3,-2.4 -2,-0.0 -2,-1.2 80,-0.0 -0.387 45.6-100.4 -92.6 175.0 -58.6 -11.1 9.3 11 17 A T S S+ 0 0 14 1,-0.2 3,-0.1 -2,-0.1 -1,-0.0 0.904 120.3 24.1 -62.1 -44.6 -59.5 -10.8 13.0 12 18 A Q S S+ 0 0 125 1,-0.1 21,-2.0 21,-0.1 22,-0.3 0.470 129.3 4.1-101.3 -9.3 -57.1 -7.8 13.6 13 19 A Q E - C 0 32A 41 19,-0.2 -3,-2.4 20,-0.1 2,-0.5 -0.992 57.9-115.9-166.5 164.5 -56.8 -6.3 10.1 14 20 A V E -AC 9 31A 0 17,-2.3 17,-2.4 -2,-0.3 2,-0.3 -0.977 42.1-179.4-107.4 126.0 -57.7 -6.1 6.4 15 21 A K E -AC 8 30A 24 -7,-2.3 -7,-2.5 -2,-0.5 2,-0.3 -0.933 10.9-172.4-127.7 154.0 -54.6 -6.8 4.4 16 22 A V E -AC 7 29A 0 13,-2.4 13,-2.1 -2,-0.3 2,-0.3 -0.989 4.6-167.0-142.5 147.1 -53.9 -7.0 0.6 17 23 A V E -AC 6 28A 0 -11,-1.8 -11,-2.6 -2,-0.3 2,-0.5 -0.971 14.5-143.1-128.1 148.7 -51.0 -8.1 -1.6 18 24 A A E -AC 5 27A 0 9,-2.2 8,-2.2 -2,-0.3 9,-1.1 -0.962 18.7-168.8-110.5 124.7 -50.5 -7.4 -5.3 19 25 A V E -AC 4 25A 0 -15,-2.6 -15,-2.3 -2,-0.5 6,-0.2 -0.977 13.1-137.9-115.5 130.4 -48.8 -10.4 -7.1 20 26 A D E > -A 3 0A 12 4,-2.5 3,-2.3 -2,-0.4 -17,-0.2 -0.271 34.1 -94.6 -83.8 176.2 -47.5 -10.0 -10.7 21 27 A A T 3 S+ 0 0 57 -19,-1.1 -18,-0.1 1,-0.3 -1,-0.1 0.679 127.0 59.9 -69.0 -13.3 -47.9 -12.6 -13.5 22 28 A E T 3 S- 0 0 135 2,-0.1 -1,-0.3 1105,-0.1 -19,-0.1 0.416 121.2-112.3 -88.8 0.4 -44.4 -14.0 -12.7 23 29 A L < + 0 0 4 -3,-2.3 2,-0.4 1,-0.3 -2,-0.1 0.678 69.4 143.1 71.9 33.8 -45.9 -14.7 -9.2 24 30 A N - 0 0 41 466,-0.1 -4,-2.5 1103,-0.1 2,-0.5 -0.827 51.3-130.8 -96.6 133.9 -43.7 -12.1 -7.3 25 31 A V E +C 19 0A 67 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.719 37.9 161.3 -78.9 122.6 -45.3 -10.1 -4.5 26 32 A F E + 0 0 63 -8,-2.2 2,-0.3 -2,-0.5 -1,-0.1 0.368 57.5 37.4-124.0 -2.2 -44.4 -6.5 -5.2 27 33 A Y E +C 18 0A 41 -9,-1.1 -9,-2.2 2,-0.0 2,-0.3 -0.982 54.0 173.9-154.2 139.7 -47.0 -4.6 -3.1 28 34 A E E +C 17 0A 55 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.992 5.5 168.4-146.2 142.6 -48.6 -5.0 0.4 29 35 A E E -C 16 0A 42 -13,-2.1 -13,-2.4 -2,-0.3 2,-0.3 -0.978 6.6-174.9-152.3 154.1 -50.9 -2.8 2.4 30 36 A S E -C 15 0A 23 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.991 21.8-149.0-152.1 158.3 -53.0 -3.1 5.5 31 37 A V E -C 14 0A 0 -17,-2.4 -17,-2.3 -2,-0.3 2,-0.5 -0.999 22.4-151.2-126.5 121.5 -55.6 -1.4 7.8 32 38 A H E > -C 13 0A 62 -2,-0.4 4,-3.1 -19,-0.2 5,-0.5 -0.874 6.8-144.9-100.8 127.5 -55.3 -2.4 11.5 33 39 A F H > S+ 0 0 0 -21,-2.0 4,-2.5 -2,-0.5 7,-0.2 0.944 92.4 40.3 -64.3 -57.9 -58.6 -2.2 13.4 34 40 A D H 4 S+ 0 0 60 -22,-0.3 -1,-0.2 1,-0.2 7,-0.1 0.928 125.2 39.1 -58.2 -43.5 -57.7 -1.2 16.9 35 41 A R H 4 S+ 0 0 135 1,-0.1 -2,-0.2 2,-0.1 -1,-0.2 0.877 127.3 29.6 -72.8 -46.4 -55.1 1.3 15.7 36 42 A D H < S+ 0 0 37 -4,-3.1 841,-0.4 1,-0.2 -3,-0.2 0.671 131.3 32.8 -95.7 -22.7 -56.9 2.8 12.6 37 43 A L >< + 0 0 0 -4,-2.5 3,-1.6 -5,-0.5 5,-0.3 -0.437 69.5 151.4-126.7 56.0 -60.6 2.5 13.6 38 44 A P G > + 0 0 34 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.766 58.2 78.9 -59.8 -24.6 -60.2 3.0 17.4 39 45 A E G 3 S+ 0 0 57 1,-0.3 -5,-0.1 2,-0.1 -2,-0.0 0.670 82.7 64.8 -58.8 -21.1 -63.8 4.5 17.7 40 46 A F G < S- 0 0 49 -3,-1.6 -1,-0.3 -7,-0.2 -6,-0.1 0.638 101.5-134.9 -77.3 -13.3 -65.3 0.9 17.5 41 47 A G < + 0 0 54 -3,-2.2 2,-0.1 -4,-0.2 -2,-0.1 0.767 46.7 156.4 68.3 27.5 -63.6 0.1 20.9 42 48 A T - 0 0 16 -5,-0.3 2,-0.4 -9,-0.1 5,-0.2 -0.458 34.3-152.4 -80.8 163.3 -62.2 -3.3 19.9 43 49 A Q B > S-G 46 0B 167 3,-2.6 3,-1.2 -2,-0.1 5,-0.0 -0.992 89.6 -2.2-132.6 118.3 -59.3 -5.1 21.5 44 50 A G T 3 S- 0 0 22 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.798 131.9 -63.5 66.6 26.8 -57.5 -7.4 19.1 45 51 A G T 3 S+ 0 0 0 1,-0.2 2,-0.3 -33,-0.2 -1,-0.2 0.436 119.6 83.1 77.4 4.3 -60.2 -6.5 16.5 46 52 A V B < S-G 43 0B 7 -3,-1.2 -3,-2.6 11,-0.1 2,-0.5 -0.831 71.7-126.9-133.8 168.7 -63.0 -7.9 18.6 47 53 A H E -H 56 0C 52 9,-2.9 9,-2.0 -2,-0.3 2,-0.6 -0.991 18.3-155.4-115.9 114.9 -65.4 -7.3 21.6 48 54 A V E -H 55 0C 91 -2,-0.5 7,-0.2 7,-0.2 85,-0.0 -0.878 26.6-135.6 -88.0 119.6 -65.4 -10.0 24.3 49 55 A H > - 0 0 71 5,-3.1 3,-2.1 -2,-0.6 -1,-0.0 -0.170 23.8 -94.7 -77.0 170.5 -68.8 -9.6 25.9 50 56 A K T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.834 121.4 64.7 -54.3 -36.6 -69.6 -9.6 29.7 51 57 A D T 3 S- 0 0 88 1,-0.1 -1,-0.3 3,-0.0 -2,-0.0 0.598 103.1-131.5 -63.3 -13.8 -70.3 -13.4 29.6 52 58 A G S < S+ 0 0 50 -3,-2.1 -2,-0.1 2,-0.2 -1,-0.1 0.502 94.1 68.7 75.1 4.3 -66.7 -14.0 28.7 53 59 A L S S+ 0 0 79 82,-0.1 81,-2.7 80,-0.1 2,-0.4 0.653 72.9 82.7-123.0 -36.8 -67.8 -16.4 25.9 54 60 A T - 0 0 15 79,-0.2 -5,-3.1 80,-0.2 2,-0.4 -0.676 55.9-179.4 -80.2 126.0 -69.6 -14.2 23.2 55 61 A V E +H 48 0C 8 -2,-0.4 75,-1.8 -7,-0.2 78,-0.3 -0.991 9.0 161.0-133.0 120.8 -67.0 -12.6 20.9 56 62 A T E -HI 47 129C 6 -9,-2.0 -9,-2.9 -2,-0.4 71,-0.1 -0.848 27.6-149.3-134.4 168.2 -68.0 -10.4 18.0 57 63 A S E - I 0 128C 0 71,-1.6 71,-2.4 -2,-0.3 2,-0.3 -0.987 35.8-105.4-134.5 143.1 -66.7 -7.7 15.6 58 64 A P E >> - I 0 127C 12 0, 0.0 4,-1.1 0, 0.0 3,-0.9 -0.522 21.7-145.8 -71.4 126.6 -68.8 -4.8 14.1 59 65 A V H 3> S+ 0 0 2 67,-2.2 4,-1.7 -2,-0.3 3,-0.4 0.893 98.7 57.3 -59.0 -38.9 -69.6 -5.6 10.4 60 66 A L H 3> S+ 0 0 38 66,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.738 98.7 60.7 -70.4 -16.5 -69.4 -1.8 9.5 61 67 A X H <> S+ 0 0 0 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.910 105.2 48.3 -70.4 -43.2 -65.8 -1.7 10.9 62 68 A W H X S+ 0 0 1 -4,-1.1 4,-1.5 -3,-0.4 -2,-0.2 0.903 112.9 47.8 -61.7 -40.9 -64.9 -4.3 8.2 63 69 A V H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 3,-0.3 0.957 113.3 47.4 -66.3 -47.0 -66.7 -2.3 5.5 64 70 A Q H X S+ 0 0 36 -4,-2.4 4,-2.7 1,-0.3 -2,-0.2 0.898 106.8 57.1 -65.4 -34.9 -65.0 1.0 6.6 65 71 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.3 0.885 104.9 52.3 -62.3 -36.5 -61.6 -0.8 6.7 66 72 A L H X S+ 0 0 0 -4,-1.5 4,-2.4 -3,-0.3 5,-0.2 0.939 109.6 49.4 -64.6 -42.7 -62.1 -1.7 3.0 67 73 A D H X S+ 0 0 3 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.942 112.7 47.5 -58.3 -46.1 -62.8 2.0 2.2 68 74 A I H X S+ 0 0 48 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.926 112.0 48.0 -64.0 -48.7 -59.7 3.1 4.1 69 75 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.921 111.4 49.6 -65.3 -38.4 -57.3 0.5 2.5 70 76 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.909 114.3 45.6 -66.4 -37.5 -58.5 1.3 -1.2 71 77 A E H X S+ 0 0 46 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.891 111.7 52.1 -70.8 -36.3 -58.1 5.0 -0.6 72 78 A K H X S+ 0 0 70 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.935 111.0 47.9 -64.8 -42.5 -54.6 4.4 1.0 73 79 A X H <>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 4,-0.3 0.935 113.0 48.0 -62.4 -46.4 -53.6 2.3 -2.1 74 80 A K H ><5S+ 0 0 58 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.906 110.2 51.3 -61.3 -44.3 -54.9 5.0 -4.4 75 81 A A H 3<5S+ 0 0 47 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.814 106.7 55.5 -62.7 -31.6 -53.0 7.8 -2.4 76 82 A S T 3<5S- 0 0 73 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.482 123.3-105.9 -79.5 -4.8 -49.8 5.7 -2.7 77 83 A G T < 5 + 0 0 62 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.644 54.3 173.8 89.0 19.5 -50.1 5.6 -6.5 78 84 A F < - 0 0 25 -5,-2.5 2,-1.2 -6,-0.2 -1,-0.2 -0.380 32.2-131.1 -60.7 131.2 -51.2 2.0 -6.9 79 85 A D > + 0 0 88 1,-0.2 3,-1.3 -2,-0.1 -1,-0.1 -0.719 28.1 178.5 -89.8 94.0 -52.1 1.3 -10.6 80 86 A F G > S+ 0 0 6 -2,-1.2 3,-1.7 180,-0.4 -1,-0.2 0.719 71.9 74.5 -67.5 -22.6 -55.6 -0.3 -10.4 81 87 A S G 3 S+ 0 0 60 1,-0.3 -1,-0.2 181,-0.2 181,-0.1 0.689 90.0 60.0 -63.8 -20.4 -55.8 -0.6 -14.2 82 88 A Q G < S+ 0 0 58 -3,-1.3 -79,-2.5 -81,-0.1 2,-0.8 0.454 76.5 110.8 -84.5 -3.4 -53.2 -3.4 -14.1 83 89 A V E < +b 3 0A 0 -3,-1.7 -79,-0.2 -81,-0.2 3,-0.1 -0.638 37.4 174.1 -80.9 109.3 -55.5 -5.7 -11.9 84 90 A L E - 0 0 68 -81,-2.9 183,-1.9 -2,-0.8 2,-0.3 0.787 66.0 -13.1 -82.0 -35.3 -56.7 -8.7 -14.0 85 91 A A E -bd 4 267A 0 -82,-0.8 -80,-1.7 181,-0.2 2,-0.3 -0.983 59.1-155.7-159.2 166.2 -58.4 -10.5 -11.1 86 92 A L E +bd 5 268A 0 181,-2.4 183,-2.5 -2,-0.3 2,-0.3 -0.995 12.2 167.0-149.1 151.6 -58.8 -10.7 -7.4 87 93 A S E -b 6 0A 0 -82,-2.0 -80,-2.2 -2,-0.3 2,-0.3 -0.877 12.4-170.8-146.5-177.7 -59.7 -13.1 -4.7 88 94 A G E -b 7 0A 0 181,-0.3 184,-2.0 -2,-0.3 2,-0.3 -0.975 18.2-116.6-167.8 175.2 -59.4 -13.2 -0.9 89 95 A A E -be 8 272A 0 -82,-1.9 -80,-2.9 -2,-0.3 2,-0.4 -0.921 16.7-156.8-124.1 150.1 -59.7 -14.9 2.4 90 96 A G E -be 9 273A 0 182,-1.7 184,-1.8 -2,-0.3 185,-0.2 -0.982 36.7 -97.9-124.9 140.8 -61.8 -14.4 5.4 91 97 A Q - 0 0 0 -82,-2.6 99,-0.4 -2,-0.4 100,-0.3 -0.315 63.8-101.1 -46.1 129.7 -61.2 -15.4 9.0 92 98 A Q S S+ 0 0 3 1,-0.2 2,-1.5 98,-0.1 39,-0.4 -0.204 87.7 7.8 -71.7 158.3 -63.2 -18.6 9.2 93 99 A H S S+ 0 0 8 116,-0.3 -1,-0.2 1,-0.2 -2,-0.1 -0.112 85.3 127.9 75.6 -36.4 -66.6 -19.3 10.6 94 100 A G - 0 0 0 -2,-1.5 96,-1.2 -3,-0.3 2,-0.3 -0.134 46.2-147.7 -52.8 145.1 -67.6 -15.7 11.3 95 101 A S E -J 189 0D 0 34,-1.5 2,-0.4 94,-0.2 94,-0.2 -0.943 15.9-154.3-131.6 149.2 -71.0 -14.7 9.8 96 102 A I E -J 188 0D 0 92,-2.6 92,-2.4 -2,-0.3 2,-0.6 -0.960 10.7-152.3-119.9 136.1 -72.7 -11.6 8.4 97 103 A Y E -J 187 0D 0 28,-0.4 27,-1.6 -2,-0.4 28,-0.9 -0.934 11.8-154.6-116.3 105.7 -76.5 -11.2 8.4 98 104 A W E -JK 186 123D 0 88,-2.9 87,-1.9 -2,-0.6 88,-1.3 -0.751 17.2-125.6 -86.9 129.5 -77.8 -9.1 5.6 99 105 A K E > -J 184 0D 75 23,-2.4 3,-2.4 -2,-0.5 4,-0.2 -0.287 37.4 -82.7 -71.3 151.1 -81.1 -7.3 6.2 100 106 A A T 3 S+ 0 0 62 83,-2.1 -1,-0.1 1,-0.3 83,-0.0 -0.331 120.8 23.7 -52.9 127.3 -84.1 -7.6 3.8 101 107 A G T >> S+ 0 0 48 -3,-0.1 4,-0.9 3,-0.0 3,-0.7 0.283 86.2 117.5 93.4 -5.6 -83.5 -5.1 0.9 102 108 A A H <> + 0 0 2 -3,-2.4 4,-2.1 1,-0.2 3,-0.4 0.832 65.9 62.6 -65.9 -32.2 -79.7 -5.0 1.3 103 109 A Q H 3> S+ 0 0 73 -4,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.843 97.6 59.0 -63.7 -29.7 -78.9 -6.4 -2.2 104 110 A Q H <> S+ 0 0 64 -3,-0.7 4,-0.8 2,-0.2 -1,-0.2 0.909 107.1 46.6 -62.6 -40.7 -80.7 -3.4 -3.7 105 111 A A H >< S+ 0 0 26 -4,-0.9 3,-0.5 -3,-0.4 -2,-0.2 0.920 113.1 50.2 -66.0 -42.6 -78.1 -1.1 -1.9 106 112 A L H >< S+ 0 0 1 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.885 112.4 44.9 -61.2 -46.0 -75.2 -3.4 -3.1 107 113 A T H 3< S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.599 114.4 50.1 -77.4 -11.9 -76.3 -3.4 -6.8 108 114 A S T << S+ 0 0 82 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 -0.005 75.3 151.6-115.5 27.0 -76.9 0.4 -6.8 109 115 A L < - 0 0 17 -3,-0.8 -3,-0.1 91,-0.1 6,-0.1 -0.357 37.2-141.5 -61.4 133.1 -73.6 1.6 -5.3 110 116 A S > - 0 0 40 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-2,-0.2 0.909 110.1 52.7 -61.8 -45.4 -77.0 -19.1 13.3 171 177 A A H X S+ 0 0 4 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.906 109.6 48.6 -56.0 -44.3 -79.0 -21.4 15.7 172 178 A K H X S+ 0 0 23 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.912 111.9 47.8 -65.1 -43.0 -78.3 -19.1 18.6 173 179 A I H X S+ 0 0 22 -4,-2.1 4,-3.1 2,-0.2 8,-0.3 0.936 113.2 49.5 -63.2 -45.0 -79.3 -16.0 16.6 174 180 A Y H < S+ 0 0 92 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.887 116.1 42.9 -56.4 -45.6 -82.5 -17.7 15.5 175 181 A Q H < S+ 0 0 81 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.906 126.5 29.1 -71.1 -42.7 -83.3 -18.8 19.1 176 182 A Q H < S+ 0 0 139 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.689 134.1 26.9 -93.9 -27.2 -82.4 -15.5 20.9 177 183 A N X + 0 0 74 -4,-3.1 4,-2.2 -5,-0.3 -1,-0.2 -0.500 65.0 158.1-134.9 63.6 -83.2 -12.9 18.1 178 184 A P H > S+ 0 0 74 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.795 74.5 58.0 -60.8 -27.4 -85.9 -14.5 15.9 179 185 A E H > S+ 0 0 143 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.941 108.6 43.7 -68.8 -46.8 -87.0 -11.0 14.6 180 186 A A H 4 S+ 0 0 12 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