==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, HYDROLASE 08-OCT-12 4HGO . COMPND 2 MOLECULE: ACYLNEURAMINATE CYTIDYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR K.D.DAUGHTRY,K.N.ALLEN . 651 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25108.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 442 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 21 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.8 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 6 0 2 4 0 10 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 12 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 0 0 PARALLEL BRIDGES PER LADDER . 0 4 0 3 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 . 0 2 0 5 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 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 0 139 0, 0.0 3,-0.1 0, 0.0 115,-0.1 0.000 360.0 360.0 360.0 134.5 59.9 24.1 14.9 2 2 A K - 0 0 100 1,-0.1 2,-0.4 113,-0.1 95,-0.0 -0.221 360.0 -73.7 -77.5 172.1 60.2 27.2 12.6 3 3 A E - 0 0 122 2,-0.0 2,-0.5 -2,-0.0 -1,-0.1 -0.553 49.4-166.6 -72.6 124.4 59.0 30.7 13.5 4 4 A I + 0 0 10 -2,-0.4 94,-0.2 1,-0.1 3,-0.1 -0.945 19.5 170.8-115.6 131.3 55.3 31.0 13.3 5 5 A K S S+ 0 0 87 92,-3.3 2,-0.3 -2,-0.5 93,-0.2 0.455 70.9 30.5-116.0 -8.2 53.5 34.4 13.4 6 6 A L E -a 98 0A 0 91,-1.2 93,-2.3 42,-0.1 2,-0.6 -0.948 60.3-155.5-152.8 132.9 50.0 33.3 12.6 7 7 A I E -ab 99 50A 0 42,-2.3 44,-2.8 -2,-0.3 2,-0.3 -0.950 19.0-173.2-109.3 119.9 48.0 30.2 13.3 8 8 A L E -ab 100 51A 0 91,-3.0 93,-1.4 -2,-0.6 2,-0.4 -0.840 3.4-171.0-110.9 154.1 45.1 29.6 10.8 9 9 A T E -ab 101 52A 0 42,-2.0 44,-2.9 -2,-0.3 93,-0.2 -0.996 22.2-139.4-153.0 138.7 42.5 26.9 11.1 10 10 A D - 0 0 7 91,-2.4 44,-0.2 -2,-0.4 5,-0.1 -0.340 19.9-148.4 -74.7 168.5 39.6 25.2 9.3 11 11 A I >>> + 0 0 0 42,-0.3 4,-2.6 1,-0.2 3,-2.1 0.778 69.2 64.2-106.5 -70.7 36.5 24.3 11.3 12 12 A D T 345S+ 0 0 9 1,-0.3 91,-0.3 2,-0.2 -1,-0.2 -0.378 116.1 13.3 -67.4 127.2 34.6 21.2 10.2 13 13 A G T 345S+ 0 0 3 -2,-0.2 -1,-0.3 1,-0.1 126,-0.3 0.344 133.2 50.8 88.7 -5.3 36.7 18.0 10.5 14 14 A V T <45S+ 0 0 0 -3,-2.1 126,-2.2 125,-0.2 129,-0.5 0.610 120.7 24.4-121.9 -63.9 39.2 19.9 12.7 15 15 A W T <5S+ 0 0 1 -4,-2.6 18,-0.4 124,-0.2 2,-0.3 0.614 139.0 30.0 -77.1 -14.4 37.3 21.7 15.5 16 16 A T S - G 0 347B 21 -18,-0.4 3,-1.8 314,-0.2 4,-0.5 -0.980 4.2-145.5-122.7 122.0 35.4 20.6 22.1 34 34 A T G >> S+ 0 0 17 312,-2.6 3,-1.3 -2,-0.5 4,-0.5 0.774 96.6 73.7 -54.3 -25.1 36.3 22.8 25.0 35 35 A S G >4 S+ 0 0 17 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.866 86.9 61.0 -58.5 -38.0 39.8 21.3 24.8 36 36 A D G X> S+ 0 0 1 -3,-1.8 3,-1.2 1,-0.3 4,-1.0 0.740 86.6 73.4 -66.1 -21.3 40.5 23.3 21.6 37 37 A S H <> S+ 0 0 41 -3,-1.3 4,-2.2 -4,-0.5 3,-0.3 0.842 88.5 62.4 -60.1 -27.2 40.0 26.6 23.6 38 38 A A H S+ 0 0 0 -3,-1.2 4,-2.1 -4,-0.4 -1,-0.2 0.918 106.0 42.2 -59.3 -45.2 44.8 26.1 21.6 40 40 A I H X S+ 0 0 7 -4,-1.0 4,-3.0 -3,-0.3 5,-0.3 0.934 111.4 56.3 -66.3 -45.6 43.8 29.7 21.6 41 41 A F H X S+ 0 0 87 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.915 111.4 42.7 -50.3 -50.4 45.1 30.2 25.2 42 42 A W H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.895 113.0 51.9 -66.5 -45.6 48.5 29.0 24.2 43 43 A A H ><>S+ 0 0 0 -4,-2.1 5,-2.6 2,-0.2 3,-0.8 0.981 114.0 43.3 -52.3 -59.4 48.6 30.9 21.0 44 44 A H H ><5S+ 0 0 72 -4,-3.0 3,-1.6 1,-0.3 -2,-0.2 0.850 108.4 60.2 -59.5 -35.0 47.7 34.2 22.8 45 45 A N H 3<5S+ 0 0 76 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.878 109.6 42.5 -56.2 -39.8 50.2 33.2 25.6 46 46 A K T <<5S- 0 0 89 -4,-1.9 -1,-0.3 -3,-0.8 -2,-0.2 0.201 121.5-108.2 -94.4 15.9 52.9 33.3 23.0 47 47 A G T < 5S+ 0 0 63 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.732 72.7 141.0 69.9 24.7 51.6 36.5 21.3 48 48 A I < - 0 0 22 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.884 46.1-135.0-108.4 124.2 50.4 34.6 18.2 49 49 A P - 0 0 31 0, 0.0 -42,-2.3 0, 0.0 2,-0.4 -0.326 15.8-143.9 -69.0 151.7 47.1 35.6 16.5 50 50 A V E -b 7 0A 0 19,-0.2 22,-2.0 -44,-0.2 21,-0.9 -0.971 13.7-169.7-119.9 136.1 44.6 32.9 15.4 51 51 A G E -bc 8 72A 0 -44,-2.8 -42,-2.0 -2,-0.4 2,-0.5 -0.971 11.5-147.1-123.8 144.5 42.4 33.0 12.4 52 52 A I E -bc 9 73A 0 20,-2.5 22,-2.4 -2,-0.4 2,-0.5 -0.910 11.6-173.7-103.1 127.6 39.5 30.8 11.2 53 53 A L E + c 0 74A 0 -44,-2.9 2,-0.4 -2,-0.5 -42,-0.3 -0.984 14.5 167.2-118.4 121.6 38.9 30.1 7.6 54 54 A T - 0 0 1 20,-2.4 23,-2.3 -2,-0.5 22,-0.3 -0.991 38.0-150.9-134.7 145.5 35.8 28.2 6.7 55 55 A G S S+ 0 0 32 -2,-0.4 -1,-0.1 21,-0.3 2,-0.1 0.761 85.6 73.6 -79.0 -27.2 33.9 27.4 3.5 56 56 A E S S- 0 0 48 20,-0.1 20,-2.2 19,-0.1 2,-0.3 -0.357 71.2-150.6 -76.6 163.9 30.6 27.2 5.5 57 57 A K + 0 0 168 18,-0.2 2,-0.3 19,-0.1 3,-0.1 -0.877 31.5 148.4-138.9 108.2 28.9 30.3 7.0 58 58 A T > - 0 0 11 -2,-0.3 4,-1.5 1,-0.1 5,-0.1 -0.955 56.8-127.4-137.3 158.4 26.9 29.9 10.2 59 59 A E H > S+ 0 0 74 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.818 109.4 68.3 -69.8 -31.1 25.9 31.7 13.3 60 60 A I H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.930 104.5 38.1 -45.3 -59.1 27.3 28.6 15.1 61 61 A V H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.848 113.4 57.2 -69.5 -36.4 30.9 29.4 14.1 62 62 A R H X S+ 0 0 90 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.961 111.6 41.6 -59.7 -50.2 30.5 33.2 14.5 63 63 A R H X S+ 0 0 46 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.896 115.1 51.3 -65.3 -38.7 29.4 32.7 18.1 64 64 A R H X S+ 0 0 3 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.941 110.1 48.8 -63.4 -46.7 32.1 30.1 18.8 65 65 A A H <>S+ 0 0 6 -4,-3.1 5,-2.5 1,-0.2 4,-0.3 0.886 112.4 49.9 -59.3 -38.3 34.8 32.3 17.4 66 66 A E H ><5S+ 0 0 117 -4,-2.0 3,-1.5 -5,-0.2 -2,-0.2 0.944 108.1 51.1 -67.6 -49.2 33.5 35.2 19.5 67 67 A K H 3<5S+ 0 0 79 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.846 114.5 44.8 -51.9 -39.2 33.5 33.1 22.8 68 68 A L T 3<5S- 0 0 18 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.423 108.4-125.7 -91.1 1.3 37.1 32.0 22.1 69 69 A K T < 5 - 0 0 153 -3,-1.5 -3,-0.2 -4,-0.3 -19,-0.2 0.876 37.4-173.0 57.9 39.3 38.2 35.5 21.2 70 70 A V < - 0 0 21 -5,-2.5 -1,-0.2 -6,-0.1 -19,-0.1 -0.421 21.6-137.5 -65.1 142.3 39.6 34.3 17.9 71 71 A D S S+ 0 0 72 -21,-0.9 2,-0.4 1,-0.2 -20,-0.2 0.851 81.0 23.4 -76.7 -37.3 41.5 37.2 16.2 72 72 A Y E -c 51 0A 74 -22,-2.0 -20,-2.5 2,-0.0 2,-0.4 -0.995 61.9-171.7-134.2 136.9 40.3 36.7 12.6 73 73 A L E +c 52 0A 57 -2,-0.4 2,-0.4 -22,-0.2 -20,-0.2 -0.988 5.9 175.3-127.7 123.2 37.2 35.1 11.3 74 74 A F E +c 53 0A 75 -22,-2.4 -20,-2.4 -2,-0.4 2,-0.3 -0.980 8.8 178.1-126.9 120.2 36.5 34.4 7.6 75 75 A Q + 0 0 44 -2,-0.4 -18,-0.2 -22,-0.2 -20,-0.2 -0.807 60.7 30.5-117.1 160.0 33.4 32.5 6.6 76 76 A G S S+ 0 0 39 -20,-2.2 2,-0.3 -22,-0.3 -21,-0.3 0.727 77.7 170.9 66.6 23.1 32.0 31.5 3.2 77 77 A V - 0 0 22 -23,-2.3 -1,-0.2 -21,-0.3 3,-0.2 -0.510 21.0-179.5 -71.5 124.2 35.5 31.3 1.8 78 78 A V S S+ 0 0 143 -2,-0.3 2,-0.5 1,-0.3 -1,-0.2 0.786 79.8 36.4 -89.3 -32.3 35.7 29.8 -1.7 79 79 A D > - 0 0 64 1,-0.2 4,-2.2 2,-0.0 -1,-0.3 -0.847 63.7-178.0-127.4 91.7 39.5 30.1 -2.0 80 80 A K H > S+ 0 0 13 -2,-0.5 4,-2.4 26,-0.5 5,-0.2 0.875 84.4 55.7 -61.1 -38.5 41.3 29.4 1.3 81 81 A L H > S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.919 110.0 45.6 -58.6 -45.0 44.7 30.0 -0.2 82 82 A S H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.892 111.1 53.0 -65.2 -39.9 43.6 33.5 -1.4 83 83 A A H X S+ 0 0 20 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.908 110.6 46.7 -64.7 -41.4 42.0 34.3 1.9 84 84 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.908 111.3 52.0 -66.9 -41.5 45.2 33.4 3.8 85 85 A E H X S+ 0 0 82 -4,-2.2 4,-3.1 -5,-0.2 -2,-0.2 0.936 111.0 48.4 -56.8 -46.0 47.3 35.5 1.4 86 86 A E H X S+ 0 0 113 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.900 113.7 44.2 -66.2 -44.6 45.1 38.5 1.9 87 87 A L H X S+ 0 0 9 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.946 116.3 48.9 -60.8 -47.3 45.1 38.3 5.7 88 88 A C H X>S+ 0 0 2 -4,-2.8 5,-2.7 1,-0.2 4,-1.3 0.884 107.2 54.2 -63.2 -39.8 48.8 37.7 5.6 89 89 A N H <5S+ 0 0 120 -4,-3.1 3,-0.4 1,-0.2 -1,-0.2 0.911 107.4 51.8 -61.9 -40.4 49.4 40.6 3.3 90 90 A E H <5S+ 0 0 165 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.843 114.4 43.0 -59.2 -36.5 47.6 42.8 5.7 91 91 A L H <5S- 0 0 62 -4,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.590 111.3-114.2 -91.6 -10.7 49.8 41.7 8.6 92 92 A G T <5 + 0 0 63 -4,-1.3 2,-0.3 -3,-0.4 -3,-0.2 0.740 69.1 146.2 82.2 26.2 53.2 41.7 6.8 93 93 A I < - 0 0 23 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.3 -0.759 45.3-138.0-109.2 139.8 53.3 38.0 7.1 94 94 A N > - 0 0 102 -2,-0.3 3,-2.1 1,-0.1 -89,-0.2 -0.706 23.5-123.8 -87.7 142.7 54.8 35.3 4.8 95 95 A L G > S+ 0 0 32 -2,-0.3 20,-1.8 1,-0.3 3,-1.4 0.797 114.4 63.0 -54.6 -25.4 52.9 32.0 4.2 96 96 A E G 3 S+ 0 0 101 18,-0.3 -1,-0.3 1,-0.3 18,-0.1 0.742 98.2 55.6 -71.2 -20.5 56.1 30.3 5.5 97 97 A Q G < S+ 0 0 33 -3,-2.1 -92,-3.3 -93,-0.1 -91,-1.2 0.203 95.7 93.3 -94.0 15.3 55.5 32.0 8.8 98 98 A V E < -a 6 0A 0 -3,-1.4 18,-1.8 -94,-0.2 17,-1.0 -0.891 58.6-157.1-113.8 138.2 52.0 30.4 9.0 99 99 A A E -ad 7 116A 0 -93,-2.3 -91,-3.0 -2,-0.4 2,-0.4 -0.977 21.9-178.8-108.4 124.8 50.8 27.2 10.6 100 100 A Y E -ad 8 117A 0 16,-2.5 18,-2.4 -2,-0.5 2,-0.4 -0.980 14.2-165.4-130.0 136.3 47.5 25.9 9.1 101 101 A I E +ad 9 118A 0 -93,-1.4 -91,-2.4 -2,-0.4 2,-0.3 -0.979 23.1 146.3-123.1 126.6 45.4 22.9 9.9 102 102 A G - 0 0 0 16,-1.7 21,-0.1 -2,-0.4 -89,-0.1 -0.909 32.1-152.7-150.3 174.1 42.6 21.6 7.6 103 103 A D + 0 0 16 -2,-0.3 2,-0.3 -91,-0.3 24,-0.2 0.409 61.4 46.5-138.8 -0.8 41.1 18.2 6.7 104 104 A D S >> S- 0 0 20 19,-0.1 3,-2.8 23,-0.1 4,-0.7 -0.838 90.0 -75.2-145.3 179.5 39.7 18.1 3.2 105 105 A L G >4 S+ 0 0 24 1,-0.3 3,-1.5 -2,-0.3 4,-0.4 0.846 120.7 57.0 -41.4 -50.1 40.0 18.9 -0.5 106 106 A N G 34 S+ 0 0 119 1,-0.3 -26,-0.5 2,-0.1 -1,-0.3 0.556 106.1 50.8 -64.7 -9.6 39.3 22.6 -0.1 107 107 A D G <> S+ 0 0 1 -3,-2.8 4,-2.7 2,-0.1 -1,-0.3 0.559 85.4 89.8-100.9 -14.3 42.3 23.0 2.3 108 108 A A H > S+ 0 0 1 -4,-0.2 3,-1.7 1,-0.2 4,-1.3 0.936 109.7 56.8 -64.2 -45.5 46.8 26.2 1.4 111 111 A L H 3< S+ 0 0 3 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.865 105.2 51.7 -53.9 -40.0 48.3 23.2 3.2 112 112 A K T 3< S+ 0 0 112 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.648 112.8 46.3 -72.8 -12.2 51.0 22.8 0.6 113 113 A R T <4 S+ 0 0 111 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.619 91.3 91.4-107.3 -17.9 52.0 26.5 0.9 114 114 A V S < S- 0 0 12 -4,-1.3 -18,-0.3 -3,-0.3 3,-0.2 -0.347 78.8-119.2 -82.0 160.8 52.2 27.1 4.6 115 115 A G S S+ 0 0 3 -20,-1.8 2,-0.4 -17,-1.0 -16,-0.2 0.840 104.5 20.1 -68.1 -35.0 55.3 26.8 6.8 116 116 A I E S-d 99 0A 5 -18,-1.8 -16,-2.5 -115,-0.1 2,-0.4 -0.950 72.8-169.2-137.2 120.6 53.6 24.1 8.9 117 117 A A E -d 100 0A 0 -2,-0.4 15,-2.7 -3,-0.2 16,-0.9 -0.898 4.9-172.2-107.0 135.9 50.7 22.1 7.7 118 118 A G E -d 101 0A 0 -18,-2.4 -16,-1.7 -2,-0.4 16,-0.1 -0.969 5.1-177.1-126.7 143.1 48.6 19.9 10.1 119 119 A V - 0 0 2 14,-0.4 16,-0.4 -2,-0.4 -16,-0.2 -0.988 30.1-113.6-140.0 128.5 45.9 17.5 9.2 120 120 A P > - 0 0 0 0, 0.0 3,-1.6 0, 0.0 18,-0.2 -0.123 27.6-114.0 -59.0 157.0 43.8 15.5 11.8 121 121 A A T 3 S+ 0 0 30 16,-2.6 17,-0.2 1,-0.3 16,-0.1 0.713 113.4 64.8 -65.8 -17.2 44.2 11.7 11.8 122 122 A S T 3 S+ 0 0 31 15,-0.3 -1,-0.3 -109,-0.2 16,-0.1 0.530 81.5 106.9 -81.1 -7.4 40.6 11.4 10.6 123 123 A A S < S- 0 0 6 -3,-1.6 -19,-0.1 1,-0.1 5,-0.1 -0.317 83.0 -85.1 -80.8 156.4 41.2 13.0 7.3 124 124 A P >> - 0 0 24 0, 0.0 4,-2.5 0, 0.0 3,-1.4 -0.236 41.3-115.1 -56.5 146.2 41.3 11.3 3.9 125 125 A F H 3> S+ 0 0 109 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.830 114.2 61.8 -53.5 -38.6 44.7 9.9 3.1 126 126 A Y H 34 S+ 0 0 24 1,-0.2 -1,-0.3 2,-0.2 -22,-0.1 0.806 113.3 36.4 -57.1 -33.9 45.2 12.3 0.2 127 127 A I H X4 S+ 0 0 0 -3,-1.4 3,-2.2 -24,-0.2 4,-0.4 0.870 111.0 57.9 -87.5 -42.9 45.0 15.2 2.6 128 128 A R H >< S+ 0 0 105 -4,-2.5 3,-1.2 1,-0.3 -2,-0.2 0.804 96.9 63.5 -65.0 -27.6 46.8 13.7 5.6 129 129 A R T 3< S+ 0 0 135 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.1 0.594 94.4 63.3 -71.8 -7.5 49.9 13.1 3.5 130 130 A L T < S+ 0 0 26 -3,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.657 78.0 108.1 -86.5 -16.6 50.2 16.9 3.1 131 131 A S < - 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0 0 42 -3,-1.1 2,-0.3 -4,-0.5 -3,-0.2 0.866 36.7-171.6 65.1 37.9 18.0 -17.4 18.1 645 154 D I < + 0 0 21 -5,-2.3 2,-0.2 -6,-0.2 -1,-0.2 -0.461 12.0 173.0 -65.4 124.2 17.7 -15.4 14.9 646 155 D N > - 0 0 77 -2,-0.3 4,-1.3 -356,-0.0 3,-0.4 -0.670 48.9 -84.6-127.1-178.1 20.0 -17.0 12.3 647 156 D L H > S+ 0 0 39 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.860 124.1 58.6 -59.9 -38.9 20.7 -16.7 8.6 648 157 D E H > S+ 0 0 122 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.897 105.0 51.3 -58.6 -42.5 17.8 -18.9 7.6 649 158 D D H > S+ 0 0 29 -3,-0.4 4,-1.8 2,-0.2 -1,-0.3 0.841 111.1 48.8 -57.2 -38.1 15.5 -16.5 9.4 650 159 D F H X S+ 0 0 6 -4,-1.3 4,-0.7 2,-0.2 -2,-0.2 0.931 110.0 49.8 -71.6 -44.2 17.1 -13.7 7.4 651 160 D I H >< S+ 0 0 100 -4,-3.1 3,-1.2 1,-0.2 -2,-0.2 0.952 110.6 51.7 -58.9 -48.8 16.7 -15.5 4.1 652 161 D A H 3< S+ 0 0 85 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.889 108.2 49.1 -53.0 -47.2 13.0 -16.1 4.9 653 162 D V H 3< 0 0 51 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.561 360.0 360.0 -76.8 -4.5 12.1 -12.5 5.7 654 163 D I << 0 0 53 -3,-1.2 -2,-0.2 -4,-0.7 -3,-0.2 0.753 360.0 360.0-112.3 360.0 13.8 -11.3 2.5