==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-NOV-09 3KLK . COMPND 2 MOLECULE: GLUCANSUCRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS REUTERI; . AUTHOR A.VUJICIC-ZAGAR,T.PIJNING,S.KRALJ,W.EEUWEMA,L.DIJKHUIZEN,B.W . 1006 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39940.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 618 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 160 15.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 11 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.0 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 . 70 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 18.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 0.9 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 0 2 4 1 0 2 1 1 2 2 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 4 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 0 PARALLEL BRIDGES PER LADDER . 19 6 6 4 8 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 ANTIPARALLEL BRIDGES PER LADDER . 5 4 0 0 1 1 1 1 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 1 746 A Q 0 0 180 0, 0.0 32,-3.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -45.8 43.9 111.3 47.7 2 747 A Y - 0 0 129 30,-0.2 2,-0.7 24,-0.1 30,-0.1 -0.955 360.0-139.9-131.0 151.4 40.5 111.0 46.0 3 748 A Y + 0 0 69 9,-0.4 9,-3.1 28,-0.4 2,-0.3 -0.899 30.2 178.5-113.1 102.5 39.6 111.7 42.3 4 749 A I E -A 11 0A 79 -2,-0.7 6,-0.1 7,-0.2 5,-0.1 -0.768 34.4-125.4-106.6 150.5 36.3 113.4 42.0 5 750 A D E >>> -A 10 0A 47 5,-2.5 3,-2.8 -2,-0.3 4,-1.6 -0.837 21.2-152.8 -87.3 108.3 34.4 114.7 39.1 6 751 A P T 345S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.663 93.0 56.6 -63.1 -14.5 33.9 118.4 40.0 7 752 A T T 345S+ 0 0 114 1,-0.1 -2,-0.0 3,-0.1 -3,-0.0 0.271 123.6 20.9 -97.5 10.7 30.8 118.5 37.9 8 753 A T T <45S- 0 0 65 -3,-2.8 -1,-0.1 2,-0.1 -3,-0.0 0.276 89.5-130.2-156.3 3.5 29.1 115.5 39.7 9 754 A G T <5 + 0 0 53 -4,-1.6 -2,-0.0 1,-0.2 0, 0.0 0.527 63.7 142.9 51.8 2.2 30.9 115.4 43.1 10 755 A Q E < -A 5 0A 126 -5,-0.5 -5,-2.5 -6,-0.1 2,-0.3 -0.557 47.2-136.9 -77.5 128.3 31.1 111.7 42.1 11 756 A P E -A 4 0A 57 0, 0.0 2,-0.5 0, 0.0 -7,-0.2 -0.634 14.2-126.0 -80.7 138.1 34.4 109.9 43.1 12 757 A R - 0 0 39 -9,-3.1 -9,-0.4 -2,-0.3 2,-0.3 -0.766 30.0-166.5 -81.3 126.5 36.1 107.6 40.6 13 758 A K + 0 0 107 -2,-0.5 953,-0.3 1,-0.3 15,-0.3 -0.845 66.5 16.0-112.7 151.0 36.7 104.2 42.2 14 759 A N S S+ 0 0 12 13,-1.2 952,-0.4 12,-0.8 2,-0.4 0.986 93.4 150.8 51.4 62.2 38.9 101.4 40.9 15 760 A F E -B 26 0B 1 11,-1.9 11,-3.0 -3,-0.3 2,-0.5 -0.993 40.5-152.8-135.6 128.0 40.5 104.0 38.6 16 761 A L E -Bc 25 967B 0 950,-2.3 952,-2.9 -2,-0.4 2,-0.5 -0.929 20.4-170.5-107.2 122.7 44.1 104.0 37.3 17 762 A L E -Bc 24 968B 18 7,-3.2 7,-2.8 -2,-0.5 2,-0.5 -0.953 17.9-148.2-124.6 124.8 45.4 107.5 36.6 18 763 A Q E +B 23 0B 38 950,-2.8 2,-0.4 -2,-0.5 5,-0.2 -0.779 18.1 176.2 -84.1 129.7 48.6 108.8 34.8 19 764 A N E > -B 22 0B 95 3,-4.0 3,-2.1 -2,-0.5 2,-0.2 -0.841 64.0 -60.8-134.0 96.0 49.9 112.0 36.2 20 765 A G T 3 S- 0 0 41 -2,-0.4 950,-0.2 1,-0.3 -1,-0.1 -0.494 118.4 -21.8 61.0-128.2 53.2 113.0 34.5 21 766 A N T 3 S+ 0 0 151 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.563 126.4 93.4 -84.0 -8.3 55.5 110.1 35.3 22 767 A D E < -B 19 0B 99 -3,-2.1 -3,-4.0 14,-0.0 2,-0.4 -0.610 58.9-159.7 -86.9 146.5 53.4 109.2 38.3 23 768 A W E -B 18 0B 51 -2,-0.2 13,-2.3 -5,-0.2 14,-0.7 -0.992 5.5-166.0-123.7 134.0 50.6 106.7 38.4 24 769 A I E -BD 17 35B 45 -7,-2.8 -7,-3.2 -2,-0.4 2,-0.5 -0.966 6.6-157.1-120.3 132.0 47.8 106.7 41.0 25 770 A Y E -BD 16 34B 18 9,-2.6 9,-1.7 -2,-0.4 2,-0.5 -0.946 6.1-157.2-107.8 123.2 45.4 103.9 41.7 26 771 A F E -BD 15 33B 6 -11,-3.0 -11,-1.9 -2,-0.5 -12,-0.8 -0.890 28.8-121.4-100.3 121.1 42.1 104.8 43.4 27 772 A D > - 0 0 54 5,-2.2 -13,-1.2 -2,-0.5 4,-0.9 0.044 8.2-115.7 -75.1 173.1 40.7 101.8 45.1 28 773 A K T 4 S+ 0 0 113 -15,-0.3 -1,-0.1 2,-0.2 -15,-0.1 0.843 105.5 46.9 -72.6 -39.0 37.4 99.9 44.7 29 774 A D T 4 S- 0 0 130 1,-0.1 -1,-0.1 3,-0.1 -16,-0.0 0.936 136.6 -4.6 -77.5 -47.6 35.8 100.5 48.2 30 775 A T T 4 S- 0 0 78 2,-0.1 -2,-0.2 -18,-0.0 -1,-0.1 0.361 86.9-116.3-126.5 3.6 36.4 104.2 48.8 31 776 A G < + 0 0 1 -4,-0.9 -28,-0.4 1,-0.2 2,-0.2 0.670 53.9 164.6 65.3 18.0 38.4 105.5 45.8 32 777 A A - 0 0 31 -6,-0.2 -5,-2.2 -30,-0.1 -1,-0.2 -0.539 33.7-126.1 -70.1 135.1 41.3 106.4 48.1 33 778 A G E +D 26 0B 28 -32,-3.1 2,-0.3 -7,-0.2 -7,-0.2 -0.455 31.5 173.0 -86.7 146.5 44.5 106.9 46.0 34 779 A T E -D 25 0B 70 -9,-1.7 -9,-2.6 -2,-0.2 2,-0.6 -0.967 49.5 -82.1-143.9 158.2 47.8 105.2 46.4 35 780 A N E > -D 24 0B 61 -2,-0.3 3,-1.8 -11,-0.2 4,-0.4 -0.498 40.3-154.0 -61.1 109.8 51.0 105.2 44.3 36 781 A A G > S+ 0 0 0 -13,-2.3 3,-1.0 -2,-0.6 921,-0.5 0.814 90.4 60.7 -58.5 -29.1 50.1 102.5 41.6 37 782 A L G 3 S+ 0 0 75 -14,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.660 101.9 51.4 -77.6 -13.5 53.7 101.7 41.1 38 783 A K G < S+ 0 0 154 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.382 75.5 126.2-105.4 4.5 54.2 100.6 44.7 39 784 A L < - 0 0 29 -3,-1.0 2,-0.4 -4,-0.4 920,-0.1 -0.423 46.7-159.3 -58.6 132.6 51.2 98.2 44.8 40 785 A Q - 0 0 135 918,-0.1 918,-0.2 -2,-0.1 2,-0.1 -0.931 20.6-105.8-127.0 144.7 52.6 94.9 46.0 41 786 A F - 0 0 19 -2,-0.4 2,-0.8 916,-0.3 918,-0.1 -0.445 41.4-112.5 -64.2 137.6 51.5 91.3 45.7 42 787 A D > - 0 0 104 916,-0.2 3,-2.8 1,-0.2 -1,-0.1 -0.667 20.6-152.6 -75.3 107.7 50.1 90.0 49.1 43 788 A K T 3 S+ 0 0 176 -2,-0.8 -1,-0.2 1,-0.3 856,-0.1 0.700 94.8 55.7 -53.4 -23.7 52.6 87.4 50.2 44 789 A G T 3 S+ 0 0 57 2,-0.1 -1,-0.3 -3,-0.0 -2,-0.1 0.369 79.5 131.3 -94.9 5.2 49.8 85.7 52.1 45 790 A T < - 0 0 18 -3,-2.8 852,-0.4 876,-0.0 2,-0.3 -0.282 35.2-171.7 -57.7 136.9 47.6 85.3 49.1 46 791 A I - 0 0 38 850,-0.1 876,-2.2 3,-0.0 877,-0.2 -0.969 23.4-106.3-129.0 154.0 46.1 81.9 48.4 47 792 A S B > -G 921 0C 2 -2,-0.3 4,-2.7 874,-0.3 874,-0.3 -0.298 25.8-115.6 -73.4 157.3 44.1 80.5 45.5 48 793 A A H > S+ 0 0 25 872,-2.9 4,-2.3 1,-0.2 5,-0.1 0.871 120.2 53.3 -52.8 -41.4 40.4 79.9 45.4 49 794 A D H > S+ 0 0 100 871,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.928 109.0 48.2 -63.0 -41.1 41.2 76.2 45.0 50 795 A E H > S+ 0 0 39 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.930 109.3 52.5 -65.6 -44.1 43.5 76.3 48.0 51 796 A Q H X S+ 0 0 47 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.926 109.2 52.2 -53.2 -47.4 40.7 78.1 50.1 52 797 A Y H X S+ 0 0 25 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.941 110.8 44.7 -57.2 -51.6 38.4 75.3 49.1 53 798 A R H < S+ 0 0 63 -4,-2.3 4,-0.3 1,-0.2 3,-0.2 0.901 115.8 47.4 -64.5 -41.9 40.7 72.5 50.2 54 799 A R H >< S+ 0 0 77 -4,-2.9 3,-1.3 1,-0.2 28,-0.4 0.860 103.7 60.8 -64.6 -36.6 41.5 74.2 53.5 55 800 A G H 3< S+ 0 0 1 -4,-2.8 28,-2.7 1,-0.3 27,-0.8 0.881 105.6 51.0 -58.3 -32.6 37.9 75.0 54.2 56 801 A N T 3< S+ 0 0 18 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.466 83.3 106.9 -88.2 -7.2 37.3 71.2 54.2 57 802 A E S < S- 0 0 10 -3,-1.3 25,-2.0 -4,-0.3 26,-0.3 -0.414 86.9 -86.4 -69.2 155.5 40.1 70.1 56.6 58 803 A A B -H 81 0D 4 829,-2.2 -1,-0.1 23,-0.2 3,-0.1 -0.340 30.3-129.8 -61.5 141.9 38.9 69.0 60.1 59 804 A Y S S- 0 0 114 21,-4.6 2,-0.3 1,-0.2 -1,-0.1 0.856 79.0 -36.9 -62.3 -39.1 38.5 71.9 62.5 60 805 A S - 0 0 23 20,-0.4 -1,-0.2 2,-0.1 20,-0.2 -0.934 58.1 -98.6-166.7-177.3 40.6 70.0 65.0 61 806 A Y S S+ 0 0 71 -2,-0.3 5,-0.1 -3,-0.1 -2,-0.0 0.198 71.8 135.5-100.7 12.1 41.3 66.5 66.4 62 807 A D >> - 0 0 88 1,-0.1 4,-1.6 3,-0.0 3,-0.6 -0.302 69.5-121.3 -55.0 144.1 39.0 66.9 69.4 63 808 A D T 34 S+ 0 0 112 1,-0.3 3,-0.2 2,-0.2 -1,-0.1 0.903 119.4 55.0 -50.5 -44.7 36.7 64.1 70.2 64 809 A K T 34 S+ 0 0 121 1,-0.2 -1,-0.3 3,-0.1 3,-0.2 0.834 106.0 53.6 -57.4 -30.1 34.0 66.9 69.7 65 810 A S T <4 S+ 0 0 2 -3,-0.6 15,-2.1 1,-0.2 2,-0.5 0.873 112.7 32.9 -75.3 -41.0 35.3 67.5 66.2 66 811 A I B < S-I 79 0E 0 -4,-1.6 13,-0.2 13,-0.2 -1,-0.2 -0.947 79.6-126.0-131.7 113.5 35.3 64.1 64.6 67 812 A E + 0 0 64 11,-2.3 7,-0.3 -2,-0.5 2,-0.3 -0.318 50.9 148.0 -55.6 129.5 32.8 61.4 65.3 68 813 A N - 0 0 35 5,-0.1 2,-0.4 -5,-0.1 5,-0.2 -0.916 47.3-130.6-155.6 171.8 34.7 58.3 66.3 69 814 A V B > S-K 72 0F 21 3,-1.8 3,-2.4 -2,-0.3 703,-0.1 -0.964 97.4 -17.1-136.0 115.3 34.7 55.1 68.4 70 815 A N T 3 S- 0 0 47 -2,-0.4 808,-0.2 1,-0.3 806,-0.1 0.805 130.5 -55.5 52.2 29.9 37.9 54.6 70.4 71 816 A G T 3 S+ 0 0 0 1,-0.3 804,-1.2 806,-0.2 -1,-0.3 0.198 112.5 124.5 91.6 -10.9 39.4 57.2 68.1 72 817 A Y B < -K 69 0F 0 -3,-2.4 -3,-1.8 802,-0.2 -1,-0.3 -0.532 54.6-134.1 -81.4 151.4 38.5 55.3 65.0 73 818 A L - 0 0 0 800,-0.5 792,-2.3 792,-0.3 2,-0.3 -0.643 18.1-162.2-100.0 152.6 36.4 56.7 62.1 74 819 A T B > -L 864 0G 9 -7,-0.3 3,-2.3 790,-0.3 790,-0.2 -0.849 38.9 -99.9-127.1 170.6 33.5 54.9 60.4 75 820 A A T 3 S+ 0 0 3 788,-1.3 28,-0.3 1,-0.3 789,-0.1 0.768 125.3 55.2 -60.5 -21.3 31.7 55.4 57.1 76 821 A D T 3 S+ 0 0 42 787,-0.2 -1,-0.3 26,-0.1 -9,-0.1 0.423 80.9 129.5 -90.6 1.9 29.0 57.2 59.2 77 822 A T < - 0 0 3 -3,-2.3 25,-2.6 24,-0.1 26,-0.4 -0.325 36.5-171.0 -61.5 130.6 31.5 59.7 60.7 78 823 A W E - J 0 101E 8 23,-0.3 -11,-2.3 24,-0.1 2,-0.3 -0.859 10.6-175.8-111.9 158.1 30.6 63.4 60.4 79 824 A Y E -IJ 66 100E 0 21,-3.0 21,-3.0 -2,-0.3 -13,-0.2 -0.944 31.8 -99.5-148.0 163.9 33.1 66.0 61.4 80 825 A R - 0 0 27 -15,-2.1 -21,-4.6 -2,-0.3 -20,-0.4 -0.835 35.4-152.4 -92.0 105.8 33.6 69.7 61.8 81 826 A P B -H 58 0D 2 0, 0.0 -23,-0.2 0, 0.0 -25,-0.2 -0.253 25.7-116.3 -67.7 166.1 35.3 71.3 58.8 82 827 A K S S+ 0 0 63 -25,-2.0 12,-2.2 -27,-0.8 2,-0.3 0.881 100.2 16.6 -67.6 -43.9 37.3 74.5 59.4 83 828 A Q E S-M 93 0H 46 -28,-2.7 2,-0.4 -26,-0.3 10,-0.2 -0.933 73.0-137.7-127.1 165.4 34.9 76.4 57.2 84 829 A I E -M 92 0H 11 8,-2.3 2,-3.3 -2,-0.3 8,-2.6 -0.942 26.6-120.8-124.6 132.0 31.4 75.7 55.9 85 830 A L E > -M 91 0H 7 -2,-0.4 3,-2.7 6,-0.2 6,-0.3 -0.361 40.9-138.6 -71.2 66.9 30.6 76.6 52.2 86 831 A K E >> S-M 90 0H 105 -2,-3.3 3,-3.2 4,-1.6 4,-3.2 0.038 73.9 -17.4 -35.4 118.4 27.8 78.9 53.4 87 832 A D T 34 S- 0 0 68 68,-0.5 -1,-0.3 1,-0.3 69,-0.2 0.802 118.6 -69.9 51.5 33.6 24.7 78.5 51.1 88 833 A G T <4 S+ 0 0 10 -3,-2.7 -1,-0.3 63,-0.1 -2,-0.2 0.468 136.1 65.4 65.2 0.5 27.0 76.8 48.6 89 834 A T T <4 S+ 0 0 95 -3,-3.2 2,-0.6 -4,-0.2 -2,-0.2 0.691 85.7 53.8-124.4 -27.0 28.6 80.2 48.1 90 835 A T E < -M 86 0H 77 -4,-3.2 -4,-1.6 -5,-0.1 2,-0.4 -0.903 65.6-136.9-130.3 113.1 30.4 81.8 51.0 91 836 A W E +M 85 0H 29 -2,-0.6 2,-0.4 -6,-0.3 -6,-0.2 -0.466 36.8 173.0 -63.3 116.0 33.2 80.2 53.0 92 837 A T E -M 84 0H 59 -8,-2.6 -8,-2.3 -2,-0.4 -6,-0.1 -0.991 40.5 -90.2-136.0 131.7 32.5 80.9 56.6 93 838 A D E -M 83 0H 118 -2,-0.4 -10,-0.3 -10,-0.2 -11,-0.1 -0.002 51.6-115.0 -34.9 122.3 34.1 79.8 59.9 94 839 A S - 0 0 9 -12,-2.2 2,-0.3 -13,-0.1 -1,-0.1 -0.238 20.1-136.0 -63.7 151.7 32.3 76.6 61.1 95 840 A K > - 0 0 131 1,-0.0 3,-1.5 4,-0.0 -1,-0.1 -0.680 31.1-106.6 -96.4 164.7 30.3 76.6 64.3 96 841 A E T 3 S+ 0 0 107 1,-0.3 -2,-0.1 -2,-0.3 -1,-0.0 0.780 123.6 52.4 -67.3 -20.4 30.7 73.6 66.6 97 842 A T T 3 S+ 0 0 104 1,-0.2 2,-2.1 2,-0.0 -1,-0.3 0.553 79.6 99.9 -87.9 -7.5 27.2 72.4 65.5 98 843 A D < + 0 0 24 -3,-1.5 -1,-0.2 -17,-0.1 2,-0.1 -0.340 54.2 169.0 -77.7 51.0 28.2 72.6 61.8 99 844 A M - 0 0 25 -2,-2.1 -19,-0.2 -19,-0.2 -33,-0.1 -0.421 12.3-168.9 -68.0 137.1 28.9 68.8 61.5 100 845 A R E -J 79 0E 10 -21,-3.0 -21,-3.0 -2,-0.1 2,-0.2 -0.958 28.0-102.9-131.1 146.4 29.4 67.6 57.9 101 846 A P E > -J 78 0E 2 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.546 21.5-136.1 -72.7 141.0 29.5 64.0 56.6 102 847 A I G >> S+ 0 0 0 -25,-2.6 3,-1.9 1,-0.3 4,-1.5 0.854 103.9 66.7 -62.4 -28.8 33.1 62.8 55.8 103 848 A L G 34 S+ 0 0 2 -26,-0.4 -1,-0.3 -28,-0.3 -25,-0.1 0.521 85.3 71.1 -71.1 -4.2 31.7 61.3 52.6 104 849 A M G <4 S+ 0 0 3 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.718 118.7 16.3 -79.4 -20.4 30.9 64.8 51.4 105 850 A V T <4 S+ 0 0 8 -3,-1.9 2,-0.3 -4,-0.4 -2,-0.2 0.462 125.2 47.5-131.2 -1.4 34.6 65.4 51.0 106 851 A W < + 0 0 13 -4,-1.5 -1,-0.2 780,-0.0 3,-0.0 -0.998 48.8 177.9-145.0 143.3 36.3 61.9 51.0 107 852 A W - 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0 0 71 0, 0.0 3,-1.8 0, 0.0 -2,-0.1 -0.181 39.2-130.8 -52.6 137.7 20.5 67.5 37.7 129 874 A A T 3 S+ 0 0 91 1,-0.3 -3,-0.0 -4,-0.1 -8,-0.0 0.730 105.7 57.4 -62.4 -22.0 18.3 64.6 37.0 130 875 A S T 3 S+ 0 0 114 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.343 76.1 118.1 -96.6 4.0 19.5 64.5 33.4 131 876 A L S < S- 0 0 28 -3,-1.8 3,-0.1 1,-0.1 2,-0.1 -0.523 71.1-112.7 -73.1 138.6 23.2 64.2 34.2 132 877 A P - 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.420 38.0 -95.8 -69.5 145.4 24.7 60.9 32.7 133 878 A S - 0 0 88 1,-0.1 2,-0.4 -2,-0.1 -18,-0.1 -0.235 37.2-119.6 -52.9 149.1 25.8 58.3 35.2 134 879 A F - 0 0 16 -20,-0.3 2,-0.3 -3,-0.1 -16,-0.1 -0.823 29.5-152.2 -93.2 132.9 29.5 58.3 36.1 135 880 A S > - 0 0 74 -2,-0.4 3,-3.1 1,-0.1 -21,-0.0 -0.722 33.9-100.3-106.0 156.4 31.3 55.1 35.3 136 881 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 -2,-0.3 -25,-0.1 0.693 124.5 65.7 -44.7 -18.3 34.3 53.5 36.9 137 882 A D T 3 S+ 0 0 141 -26,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.169 76.5 135.9 -91.8 17.4 36.1 55.1 33.9 138 883 A A < - 0 0 20 -3,-3.1 -24,-0.1 1,-0.1 2,-0.1 -0.446 59.9-115.6 -69.3 134.8 35.2 58.5 35.2 139 884 A D > - 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0 0 1 -2,-0.3 3,-2.2 1,-0.2 -65,-0.2 -0.435 39.8-138.4 -60.1 121.4 32.5 26.6 79.6 287 1032 A V T >> S+ 0 0 2 -67,-2.7 3,-1.5 1,-0.3 4,-0.9 0.598 92.2 87.9 -68.6 -8.5 31.4 23.5 81.5 288 1033 A D H >> S+ 0 0 0 -68,-0.3 4,-2.4 1,-0.3 3,-0.5 0.831 76.5 70.3 -50.0 -35.4 33.2 24.9 84.6 289 1034 A L H <> S+ 0 0 0 -3,-2.2 4,-2.4 1,-0.2 -1,-0.3 0.833 90.4 55.9 -57.9 -31.0 29.9 26.7 85.2 290 1035 A L H <> S+ 0 0 4 -3,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.894 110.6 45.7 -69.7 -33.6 28.2 23.4 86.2 291 1036 A S H < + 0 0 90 -4,-1.6 3,-2.0 -5,-0.4 4,-0.4 0.868 40.1 174.5 57.9 41.9 24.3 20.3 101.5 303 1048 A M G > + 0 0 2 -6,-0.7 3,-0.5 1,-0.3 7,-0.4 0.771 68.9 54.5 -50.1 -38.0 22.9 18.7 98.3 304 1049 A E G 3 S+ 0 0 43 1,-0.2 343,-0.4 5,-0.1 339,-0.3 0.489 86.4 84.1 -82.1 0.4 25.1 15.7 98.5 305 1050 A Q G < S- 0 0 92 -3,-2.0 338,-2.5 1,-0.2 2,-0.3 0.885 104.1 -28.8 -72.8 -41.6 24.2 14.6 102.0 306 1051 A S <> - 0 0 8 -3,-0.5 4,-2.5 -4,-0.4 5,-0.2 -0.972 60.9 -96.1-167.5 165.5 21.0 12.6 101.3 307 1052 A D H > S+ 0 0 4 334,-0.5 4,-2.7 332,-0.5 333,-0.2 0.886 123.2 56.8 -64.5 -35.9 18.0 12.3 99.0 308 1053 A A H 4 S+ 0 0 9 331,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.892 110.8 44.0 -63.7 -36.1 16.0 14.5 101.4 309 1054 A S H >4 S+ 0 0 17 330,-0.3 3,-0.9 2,-0.2 -2,-0.2 0.953 117.1 42.7 -71.0 -49.1 18.6 17.2 101.1 310 1055 A A H >< S+ 0 0 0 -4,-2.5 3,-2.2 -7,-0.4 -2,-0.2 0.912 107.7 59.7 -65.9 -39.7 19.1 17.1 97.3 311 1056 A N T 3< S+ 0 0 9 -4,-2.7 3,-0.4 1,-0.3 -1,-0.2 0.626 89.1 72.3 -74.7 -9.0 15.4 16.8 96.4 312 1057 A K T < S+ 0 0 126 -3,-0.9 -1,-0.3 -4,-0.4 2,-0.2 0.545 104.9 40.6 -73.4 -9.3 14.6 20.1 98.1 313 1058 A H S < S- 0 0 28 -3,-2.2 2,-0.5 -4,-0.2 -1,-0.3 -0.668 77.0-169.3-143.2 79.2 16.3 21.9 95.2 314 1059 A I - 0 0 0 -3,-0.4 2,-0.3 -2,-0.2 -39,-0.1 -0.646 12.1-178.9 -74.7 121.5 15.5 20.2 91.9 315 1060 A N - 0 0 0 -2,-0.5 21,-2.8 -39,-0.2 2,-0.3 -0.883 6.3-162.5-120.6 150.6 17.8 21.6 89.2 316 1061 A I E -uv 278 336J 0 -39,-2.6 -37,-2.3 -2,-0.3 2,-0.4 -0.927 9.1-136.9-132.7 158.1 17.8 20.7 85.5 317 1062 A L E -u 279 0J 0 19,-2.5 2,-1.3 -2,-0.3 21,-0.2 -0.937 11.3-146.5-112.0 140.5 20.2 21.1 82.5 318 1063 A E + 0 0 15 -39,-2.9 -36,-1.5 -2,-0.4 2,-0.7 -0.640 48.7 150.8 -93.5 78.4 19.5 22.1 79.0 319 1064 A D + 0 0 2 -2,-1.3 19,-0.3 -37,-0.2 21,-0.2 -0.888 20.2 173.3-117.3 98.0 22.2 19.7 77.8 320 1065 A W + 0 0 83 -2,-0.7 -1,-0.1 17,-0.1 2,-0.1 0.734 45.5 103.0 -76.4 -28.9 21.5 18.4 74.3 321 1066 A G > - 0 0 25 1,-0.1 3,-1.7 2,-0.1 19,-0.1 -0.376 67.6-140.4 -66.8 134.2 24.8 16.5 73.7 322 1067 A W T 3 S+ 0 0 108 1,-0.3 4,-0.3 2,-0.2 -1,-0.1 0.682 100.9 57.5 -73.2 -14.1 24.4 12.7 74.1 323 1068 A D T 3> S+ 0 0 114 1,-0.2 4,-1.0 2,-0.1 3,-0.3 0.549 87.1 83.4 -85.2 -6.7 27.8 12.4 75.8 324 1069 A D H <> S+ 0 0 6 -3,-1.7 4,-3.0 1,-0.2 5,-0.3 0.871 76.3 63.5 -67.4 -39.4 26.7 14.9 78.6 325 1070 A P H > S+ 0 0 8 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.890 101.7 51.4 -53.1 -44.5 24.9 12.4 80.9 326 1071 A A H > S+ 0 0 65 -3,-0.3 4,-2.0 -4,-0.3 -2,-0.2 0.877 113.3 45.4 -58.4 -41.6 28.0 10.4 81.7 327 1072 A Y H X S+ 0 0 29 -4,-1.0 4,-2.0 -3,-0.3 -1,-0.2 0.929 111.0 52.0 -69.3 -44.2 29.9 13.7 82.6 328 1073 A V H <>S+ 0 0 2 -4,-3.0 5,-3.1 1,-0.2 4,-0.3 0.908 111.6 48.1 -59.3 -40.7 27.0 15.0 84.7 329 1074 A N H ><5S+ 0 0 73 -4,-2.6 3,-1.5 -5,-0.3 -1,-0.2 0.921 108.4 54.4 -65.5 -42.0 26.9 11.8 86.6 330 1075 A K H 3<5S+ 0 0 162 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.852 107.6 49.4 -63.5 -33.2 30.7 11.9 87.1 331 1076 A I T 3<5S- 0 0 15 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.417 131.2 -90.2 -91.4 7.0 30.6 15.3 88.6 332 1077 A G T < 5 - 0 0 1 -3,-1.5 316,-2.5 -4,-0.3 317,-0.3 0.651 50.9 -90.2 105.8 18.5 27.8 14.3 91.0 333 1078 A N < + 0 0 1 -5,-3.1 316,-1.2 314,-0.2 -4,-0.1 0.912 62.4 164.3 44.9 52.5 24.5 15.0 89.2 334 1079 A P S S+ 0 0 5 0, 0.0 2,-0.3 0, 0.0 -19,-0.1 0.785 73.6 21.6 -70.2 -27.5 24.3 18.5 90.6 335 1080 A Q S S- 0 0 0 -7,-0.1 -19,-0.3 -21,-0.1 2,-0.3 -0.990 100.5-102.6-135.8 140.0 21.6 19.4 88.0 336 1081 A L B -v 316 0J 0 -21,-2.8 -19,-2.5 -2,-0.3 47,-0.2 -0.446 29.9-135.3 -68.9 127.7 19.6 16.7 86.3 337 1082 A T E -w 383 0J 0 45,-0.7 47,-2.3 -2,-0.3 2,-0.1 -0.398 21.3-120.0 -63.4 150.9 20.6 15.8 82.7 338 1083 A M E -w 384 0J 4 -19,-0.3 2,-0.6 -21,-0.2 47,-0.2 -0.469 18.7-125.2 -75.0 168.3 17.7 15.4 80.2 339 1084 A D > + 0 0 2 45,-1.4 4,-2.1 -2,-0.1 47,-0.2 -0.746 36.7 168.6-113.9 82.5 17.4 12.1 78.5 340 1085 A D H > S+ 0 0 17 -2,-0.6 4,-2.2 -21,-0.2 5,-0.2 0.760 73.6 61.5 -68.8 -26.3 17.5 13.0 74.9 341 1086 A R H > S+ 0 0 65 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.951 108.7 44.6 -57.1 -48.8 17.8 9.4 73.7 342 1087 A L H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.915 110.6 50.8 -68.4 -43.6 14.5 8.7 75.3 343 1088 A R H X S+ 0 0 20 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.938 111.6 50.0 -60.6 -43.8 12.7 11.9 74.0 344 1089 A N H X S+ 0 0 41 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.855 104.3 58.4 -61.6 -34.8 13.9 11.0 70.5 345 1090 A A H X S+ 0 0 0 -4,-1.8 4,-1.1 21,-0.3 -1,-0.2 0.901 108.9 45.4 -58.4 -40.7 12.6 7.4 71.0 346 1091 A I H >X>S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-1.9 0.925 112.4 51.2 -67.8 -42.7 9.2 8.9 71.6 347 1092 A M H 3<5S+ 0 0 22 -4,-2.6 5,-0.4 1,-0.2 -2,-0.2 0.855 113.0 46.1 -59.0 -39.3 9.6 11.2 68.6 348 1093 A D H 3<5S+ 0 0 46 -4,-2.4 10,-3.4 -5,-0.2 -1,-0.2 0.673 124.7 28.0 -82.5 -17.5 10.6 8.3 66.3 349 1094 A T H <<5S+ 0 0 0 -4,-1.1 -2,-0.2 -3,-0.5 -3,-0.2 0.645 135.0 12.9-120.6 -23.5 7.8 5.9 67.4 350 1095 A L T <5S+ 0 0 0 -4,-2.6 -3,-0.2 -5,-0.2 267,-0.1 0.681 115.6 57.3-120.5 -42.7 4.8 8.0 68.5 351 1096 A S S > - 0 0 21 1,-0.1 3,-2.8 -2,-0.1 4,-1.7 -0.266 50.3 -95.7 -71.4 161.8 2.8 10.7 61.1 354 1099 A P T 34 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.846 127.2 50.1 -51.6 -35.4 1.5 7.2 60.5 355 1100 A D T 34 S+ 0 0 133 1,-0.2 -2,-0.1 3,-0.0 -3,-0.0 0.440 114.1 46.2 -84.3 4.4 3.9 6.7 57.6 356 1101 A K T <4 S+ 0 0 146 -3,-2.8 -1,-0.2 2,-0.1 -5,-0.1 0.680 80.9 108.3-111.7 -29.6 6.8 7.9 59.7 357 1102 A N < - 0 0 25 -4,-1.7 -8,-0.3 180,-0.1 2,-0.1 -0.269 54.5-147.6 -66.5 135.9 6.6 6.1 63.0 358 1103 A Q - 0 0 93 -10,-3.4 -1,-0.1 1,-0.2 -6,-0.1 -0.387 39.0 -61.2 -92.1 174.0 9.1 3.3 63.7 359 1104 A A > - 0 0 66 1,-0.1 3,-1.1 -2,-0.1 -1,-0.2 -0.217 46.9-127.5 -56.3 142.3 8.8 0.1 65.8 360 1105 A L T > S+ 0 0 1 144,-0.3 3,-1.9 1,-0.3 4,-0.4 0.566 91.5 91.5 -74.3 -9.5 8.0 0.8 69.4 361 1106 A N T >> S+ 0 0 78 1,-0.3 3,-2.0 2,-0.2 4,-1.0 0.819 71.9 71.9 -55.6 -33.9 10.9 -1.3 70.7 362 1107 A K H <> S+ 0 0 48 -3,-1.1 4,-2.7 1,-0.3 -1,-0.3 0.751 86.2 65.1 -50.3 -33.0 13.1 1.8 70.7 363 1108 A L H <4 S+ 0 0 1 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.744 102.5 50.2 -61.9 -25.5 11.1 3.1 73.7 364 1109 A I H <4 S+ 0 0 14 -3,-2.0 7,-2.0 -4,-0.4 8,-0.3 0.858 125.9 18.7 -81.5 -34.6 12.5 0.2 75.7 365 1110 A T H < S+ 0 0 87 -4,-1.0 2,-1.6 5,-0.2 -2,-0.2 0.675 98.4 84.6-115.0 -26.8 16.2 0.5 74.9 366 1111 A Q S < S+ 0 0 45 -4,-2.7 -21,-0.3 -5,-0.2 2,-0.3 -0.597 81.6 72.1 -88.9 83.8 17.0 4.0 73.6 367 1112 A S S S- 0 0 15 -2,-1.6 -27,-0.0 -26,-0.1 -28,-0.0 -0.971 97.8 -91.0-175.3 165.6 17.4 5.7 76.9 368 1113 A L S S+ 0 0 38 -2,-0.3 2,-0.4 1,-0.1 13,-0.4 0.646 116.5 52.2 -63.9 -18.2 19.7 6.1 79.9 369 1114 A V S S- 0 0 4 11,-0.1 2,-0.7 83,-0.1 -1,-0.1 -0.982 75.7-143.4-126.6 132.0 17.5 3.3 81.3 370 1115 A N - 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