==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-DEC-09 3L05 . COMPND 2 MOLECULE: N-ACETYLORNITHINE CARBAMOYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; . AUTHOR D.SHI,X.YU,N.M.ALLEWELL,M.TUCHMAN . 332 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14122.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 20 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 2 3 0 0 0 1 0 1 2 0 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 1 2 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 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 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 3 A L 0 0 136 0, 0.0 2,-0.4 0, 0.0 135,-0.1 0.000 360.0 360.0 360.0 125.3 81.3 49.4 79.4 2 4 A K + 0 0 95 329,-0.2 2,-0.2 135,-0.0 136,-0.0 -0.696 360.0 176.0 -90.1 135.9 84.5 51.2 80.4 3 5 A H - 0 0 30 -2,-0.4 136,-0.2 134,-0.2 2,-0.1 -0.604 33.9-126.7-122.9-176.2 87.8 49.3 80.7 4 6 A F B +a 139 0A 0 134,-2.4 136,-2.3 -2,-0.2 144,-0.1 -0.618 57.4 132.4-134.8 69.8 91.4 50.2 81.4 5 7 A L S S+ 0 0 30 1,-0.3 2,-0.3 134,-0.2 137,-0.1 0.887 77.5 1.3 -85.7 -46.0 93.1 48.5 78.6 6 8 A N > - 0 0 16 -3,-0.1 3,-0.7 141,-0.1 -1,-0.3 -0.985 57.3-131.5-143.6 151.1 95.3 51.5 77.6 7 9 A T G > S+ 0 0 0 -2,-0.3 3,-1.7 1,-0.2 8,-0.1 0.809 107.5 67.6 -70.5 -27.4 95.8 55.1 78.8 8 10 A Q G 3 S+ 0 0 35 1,-0.3 -1,-0.2 -3,-0.0 4,-0.1 0.784 91.0 61.4 -62.3 -28.4 95.4 56.2 75.2 9 11 A D G < S+ 0 0 86 -3,-0.7 2,-0.3 2,-0.1 -1,-0.3 0.571 98.5 75.7 -74.1 -9.9 91.7 55.2 75.3 10 12 A W S < S- 0 0 19 -3,-1.7 2,-0.1 -4,-0.2 -6,-0.0 -0.790 83.8-116.1-108.4 149.9 91.2 57.7 78.1 11 13 A S > - 0 0 52 -2,-0.3 4,-2.5 1,-0.1 3,-0.3 -0.382 30.8-111.7 -76.1 157.7 90.9 61.5 77.9 12 14 A R H > S+ 0 0 81 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.763 118.6 56.7 -61.3 -23.6 93.6 63.7 79.6 13 15 A A H > S+ 0 0 68 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.897 108.2 44.1 -75.4 -40.6 90.9 64.7 82.1 14 16 A E H > S+ 0 0 77 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.917 113.5 51.1 -70.0 -43.1 90.1 61.2 83.2 15 17 A L H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.947 112.4 47.3 -57.1 -48.9 93.8 60.3 83.4 16 18 A D H X S+ 0 0 58 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.861 109.5 52.5 -60.8 -39.0 94.4 63.4 85.5 17 19 A A H X S+ 0 0 61 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.892 109.0 52.9 -65.3 -36.0 91.4 62.5 87.7 18 20 A L H X S+ 0 0 7 -4,-2.5 4,-2.0 1,-0.2 3,-0.3 0.969 106.8 48.7 -62.1 -55.8 93.0 59.1 88.1 19 21 A L H X S+ 0 0 7 -4,-2.4 4,-2.2 1,-0.3 -1,-0.2 0.796 112.9 50.3 -55.8 -30.5 96.4 60.4 89.3 20 22 A T H X S+ 0 0 91 -4,-1.6 4,-1.6 2,-0.2 -1,-0.3 0.863 108.4 49.9 -76.5 -36.8 94.6 62.6 91.7 21 23 A Q H X S+ 0 0 61 -4,-2.0 4,-2.1 -3,-0.3 -2,-0.2 0.796 111.9 51.6 -69.8 -26.1 92.5 59.8 93.1 22 24 A A H X S+ 0 0 0 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.931 107.1 49.9 -73.4 -47.5 95.8 57.9 93.4 23 25 A A H < S+ 0 0 39 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.812 113.5 49.8 -57.9 -32.0 97.5 60.8 95.3 24 26 A L H >X S+ 0 0 75 -4,-1.6 3,-1.3 1,-0.2 4,-1.3 0.888 106.9 50.8 -74.6 -45.7 94.4 60.7 97.5 25 27 A F H 3< S+ 0 0 6 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.645 103.9 62.8 -68.0 -14.7 94.5 56.9 98.1 26 28 A K T 3< S+ 0 0 60 -4,-1.1 3,-0.3 1,-0.2 -1,-0.3 0.659 105.8 43.5 -83.3 -17.8 98.1 57.4 99.1 27 29 A R T <4 S+ 0 0 209 -3,-1.3 2,-0.3 1,-0.3 -2,-0.2 0.665 129.2 27.3 -96.8 -24.2 97.1 59.6 102.0 28 30 A N < + 0 0 98 -4,-1.3 -1,-0.3 1,-0.1 -2,-0.1 -0.775 68.7 175.7-138.5 87.7 94.3 57.3 103.1 29 31 A K + 0 0 113 -2,-0.3 2,-0.3 -3,-0.3 -1,-0.1 0.889 61.1 72.7 -65.3 -38.1 95.1 53.8 102.0 30 32 A L + 0 0 127 31,-0.1 2,-0.3 2,-0.0 31,-0.2 -0.566 60.1 133.1 -83.0 139.5 92.0 52.2 103.7 31 33 A G - 0 0 27 29,-2.3 3,-0.1 -2,-0.3 -2,-0.0 -0.916 53.7-122.8-162.0-174.1 88.6 52.7 102.1 32 34 A S > + 0 0 80 -2,-0.3 3,-1.9 30,-0.1 29,-0.1 0.075 64.8 121.1-133.3 25.2 85.4 50.8 101.1 33 35 A E T 3 S+ 0 0 89 1,-0.3 29,-0.1 30,-0.0 -1,-0.1 0.744 92.1 34.8 -60.0 -21.2 85.1 51.7 97.4 34 36 A L T > S+ 0 0 5 27,-2.0 3,-2.7 24,-0.1 -1,-0.3 0.091 82.7 157.1-119.7 19.3 85.3 47.9 96.9 35 37 A K T < S- 0 0 148 -3,-1.9 28,-0.2 1,-0.3 27,-0.1 -0.237 79.8 -1.6 -51.2 125.9 83.5 46.7 100.0 36 38 A G T 3 S+ 0 0 71 26,-1.8 -1,-0.3 1,-0.2 27,-0.2 0.397 112.0 118.4 72.3 -3.9 82.1 43.2 99.3 37 39 A K < - 0 0 91 -3,-2.7 27,-1.0 24,-0.2 2,-0.3 -0.398 44.4-164.0 -89.4 169.3 83.5 43.4 95.7 38 40 A S E -b 64 0A 26 25,-0.3 67,-2.2 -2,-0.1 68,-0.8 -0.981 10.9-150.8-152.4 161.4 86.2 41.2 94.1 39 41 A I E -bc 65 106A 2 25,-1.8 27,-2.7 -2,-0.3 2,-0.7 -0.999 14.4-138.7-138.2 135.3 88.6 41.0 91.2 40 42 A A E -bc 66 107A 1 66,-2.3 68,-2.3 -2,-0.4 2,-0.9 -0.863 16.9-157.0 -96.9 115.7 89.9 38.0 89.3 41 43 A L E -bc 67 108A 0 25,-2.2 27,-2.8 -2,-0.7 2,-0.8 -0.820 9.1-164.8 -95.4 101.7 93.6 38.5 88.6 42 44 A V E -bc 68 109A 3 66,-3.2 68,-2.6 -2,-0.9 2,-0.6 -0.779 6.0-173.1 -93.6 110.2 94.5 36.3 85.6 43 45 A F E + c 0 110A 7 25,-2.8 68,-0.2 -2,-0.8 4,-0.1 -0.887 21.9 172.2-106.9 120.7 98.2 35.8 85.1 44 46 A F S S+ 0 0 57 66,-2.8 67,-0.1 -2,-0.6 -1,-0.1 0.326 78.2 33.5-102.0 7.6 99.6 34.0 82.1 45 47 A N S S- 0 0 44 65,-0.2 65,-0.0 1,-0.1 0, 0.0 -0.952 100.5 -72.3-151.1 165.8 103.1 35.0 83.1 46 48 A P + 0 0 106 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.098 49.3 172.2 -60.4 163.3 105.1 35.6 86.4 47 49 A S + 0 0 35 -4,-0.1 -4,-0.0 3,-0.1 63,-0.0 -0.882 23.8 163.6-173.5 139.3 104.6 38.7 88.5 48 50 A M S > S+ 0 0 105 -2,-0.3 4,-2.3 3,-0.1 5,-0.2 0.635 84.9 36.1-121.5 -65.2 105.6 40.1 91.9 49 51 A R H > S+ 0 0 55 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.928 122.2 44.4 -58.6 -51.1 104.8 43.8 92.0 50 52 A T H > S+ 0 0 3 2,-0.2 4,-1.8 1,-0.2 5,-0.3 0.973 114.4 47.6 -60.6 -56.8 101.6 43.6 90.1 51 53 A R H > S+ 0 0 88 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.896 117.0 43.9 -52.0 -45.6 100.2 40.5 91.8 52 54 A T H X S+ 0 0 61 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.905 112.1 49.1 -71.2 -43.0 101.0 42.0 95.3 53 55 A S H X S+ 0 0 11 -4,-2.8 4,-1.2 -5,-0.2 -1,-0.2 0.761 114.3 46.5 -71.1 -22.6 99.7 45.5 94.8 54 56 A F H X S+ 0 0 0 -4,-1.8 4,-3.0 -5,-0.2 5,-0.3 0.933 112.4 48.1 -80.9 -49.5 96.4 44.4 93.3 55 57 A E H X S+ 0 0 81 -4,-1.9 4,-1.4 -5,-0.3 10,-0.3 0.858 118.7 41.9 -58.1 -35.9 95.7 41.8 96.0 56 58 A L H X S+ 0 0 74 -4,-2.0 4,-3.2 2,-0.2 -1,-0.2 0.823 112.2 54.1 -79.9 -32.9 96.6 44.3 98.6 57 59 A G H X S+ 0 0 0 -4,-1.2 4,-0.9 -5,-0.2 6,-0.2 0.902 108.9 48.5 -66.5 -41.6 94.7 47.1 96.9 58 60 A A H <>S+ 0 0 1 -4,-3.0 5,-2.2 2,-0.2 3,-0.5 0.918 115.0 46.2 -63.9 -43.5 91.6 45.0 96.8 59 61 A F H ><5S+ 0 0 141 -4,-1.4 3,-2.3 -5,-0.3 -2,-0.2 0.961 107.9 54.7 -63.1 -52.9 92.0 44.2 100.4 60 62 A Q H 3<5S+ 0 0 11 -4,-3.2 -29,-2.3 1,-0.3 -1,-0.2 0.678 110.7 48.5 -56.0 -18.7 92.7 47.8 101.5 61 63 A L T 3<5S- 0 0 0 -4,-0.9 -27,-2.0 -3,-0.5 -1,-0.3 0.166 122.4 -99.2-108.6 15.8 89.4 48.8 99.8 62 64 A G T < 5S+ 0 0 36 -3,-2.3 -26,-1.8 1,-0.2 -3,-0.2 0.394 90.8 103.9 85.9 -5.3 87.1 46.1 101.3 63 65 A G < - 0 0 11 -5,-2.2 2,-0.3 -28,-0.2 -25,-0.3 -0.074 62.7-125.2 -93.4-161.0 87.2 43.9 98.3 64 66 A H E -b 38 0A 121 -27,-1.0 -25,-1.8 -30,-0.1 2,-0.4 -0.960 8.3-144.7-154.1 130.5 88.9 40.6 97.6 65 67 A A E -b 39 0A 10 -10,-0.3 2,-0.6 -2,-0.3 -25,-0.2 -0.783 5.3-159.6 -98.6 139.2 91.3 39.4 94.8 66 68 A V E -b 40 0A 59 -27,-2.7 -25,-2.2 -2,-0.4 2,-0.5 -0.969 15.2-148.4-115.9 112.2 91.2 35.9 93.5 67 69 A V E -b 41 0A 29 -2,-0.6 2,-0.4 -27,-0.2 -25,-0.2 -0.716 17.6-176.1 -87.4 123.8 94.5 35.1 91.7 68 70 A L E -b 42 0A 46 -27,-2.8 -25,-2.8 -2,-0.5 -2,-0.0 -0.931 14.7-168.8-119.9 142.9 94.3 32.6 88.8 69 71 A Q >>> - 0 0 61 -2,-0.4 3,-2.4 -27,-0.2 4,-1.4 -0.765 20.9-141.4-130.4 87.3 97.1 31.2 86.7 70 72 A P B 345S+e 74 0B 19 0, 0.0 5,-0.2 0, 0.0 -2,-0.0 -0.199 89.8 22.8 -49.4 128.0 95.7 29.4 83.6 71 73 A G T 345S+ 0 0 52 3,-2.8 4,-0.1 1,-0.1 -27,-0.1 -0.134 124.1 53.9 105.5 -37.0 97.9 26.3 83.1 72 74 A K T <45S- 0 0 166 -3,-2.4 -1,-0.1 3,-0.1 3,-0.0 0.911 135.4 -13.5 -91.9 -67.0 99.1 26.1 86.7 73 75 A D T <5S+ 0 0 95 -4,-1.4 2,-0.1 2,-0.1 -5,-0.1 0.812 128.2 56.9-104.5 -44.3 95.9 26.0 88.8 74 76 A A B > -f 78 0C 25 -2,-0.3 4,-2.4 -15,-0.2 3,-1.7 -0.733 23.1-124.5-103.7 146.4 87.4 29.1 75.5 93 95 A I H 3> S+ 0 0 0 -15,-2.6 4,-2.9 -2,-0.3 5,-0.4 0.805 109.5 67.6 -54.6 -29.4 87.7 32.7 76.6 94 96 A A H 3> S+ 0 0 17 -16,-0.3 4,-0.7 2,-0.2 -1,-0.3 0.842 110.0 33.9 -61.1 -34.4 84.1 33.2 75.6 95 97 A E H <> S+ 0 0 87 -3,-1.7 4,-2.8 2,-0.1 -2,-0.2 0.900 118.3 52.3 -84.6 -47.8 83.0 30.9 78.4 96 98 A V H X S+ 0 0 13 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.893 109.6 48.1 -56.3 -46.2 85.7 31.9 80.9 97 99 A A H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.899 114.8 45.6 -65.1 -39.1 85.0 35.6 80.6 98 100 A R H < S+ 0 0 132 -4,-0.7 4,-0.3 -5,-0.4 -2,-0.2 0.879 113.2 50.5 -71.2 -37.0 81.3 35.1 81.1 99 101 A V H >X S+ 0 0 65 -4,-2.8 3,-2.3 1,-0.2 4,-0.8 0.963 111.4 46.7 -64.5 -51.5 81.8 32.7 84.0 100 102 A L H >X S+ 0 0 17 -4,-2.8 4,-2.9 1,-0.3 3,-1.0 0.869 103.3 66.0 -57.8 -34.5 84.2 35.1 85.8 101 103 A G H 3< S+ 0 0 14 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.654 101.3 49.2 -62.3 -13.7 81.6 37.8 85.0 102 104 A R H <4 S+ 0 0 205 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.620 118.6 36.6 -98.4 -18.1 79.2 35.9 87.4 103 105 A Y H << S+ 0 0 179 -3,-1.0 -2,-0.2 -4,-0.8 -3,-0.1 0.867 117.0 38.5 -99.5 -50.1 81.7 35.6 90.2 104 106 A V < - 0 0 10 -4,-2.9 -65,-0.2 -5,-0.1 3,-0.1 -0.452 57.5-143.1-104.3 174.6 83.7 38.8 90.2 105 107 A D S S+ 0 0 55 -67,-2.2 2,-0.3 1,-0.3 -66,-0.2 0.507 88.5 26.6-107.4 -13.4 83.2 42.5 89.6 106 108 A L E -c 39 0A 2 -68,-0.8 -66,-2.3 30,-0.2 2,-0.5 -0.989 63.7-152.3-152.2 143.6 86.5 43.2 87.8 107 109 A I E -cd 40 138A 0 30,-2.3 32,-2.9 -2,-0.3 2,-0.4 -0.961 8.0-169.9-125.4 118.7 88.9 41.2 85.7 108 110 A G E -cd 41 139A 0 -68,-2.3 -66,-3.2 -2,-0.5 2,-0.4 -0.843 10.7-166.5-103.0 139.6 92.6 41.9 85.5 109 111 A V E -cd 42 140A 0 30,-2.6 32,-3.2 -2,-0.4 2,-0.5 -0.987 14.1-171.1-133.9 140.3 94.7 40.1 82.9 110 112 A R E +c 43 0A 20 -68,-2.6 -66,-2.8 -2,-0.4 2,-0.2 -0.985 19.2 154.9-126.8 118.4 98.4 39.7 82.3 111 113 A A - 0 0 13 31,-1.9 16,-0.2 -2,-0.5 15,-0.1 -0.723 22.9-159.5-152.1 97.3 99.6 38.0 79.1 112 114 A F - 0 0 51 -2,-0.2 32,-0.1 1,-0.1 31,-0.0 -0.293 38.8 -91.3 -67.6 156.7 103.0 38.7 77.5 113 115 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 70,-0.1 -0.091 25.7-124.5 -63.1 171.4 103.5 37.9 73.8 114 116 A K - 0 0 152 3,-0.2 4,-0.1 -3,-0.1 -2,-0.0 0.536 32.1-135.3 -93.7 -10.9 104.7 34.5 72.8 115 117 A F S S+ 0 0 50 2,-0.1 144,-1.0 1,-0.1 146,-0.2 0.619 79.2 103.1 65.5 16.9 107.6 36.0 70.8 116 118 A V S S+ 0 0 108 1,-0.3 2,-0.2 142,-0.1 -1,-0.1 0.723 93.1 4.7 -98.7 -25.7 107.0 33.7 67.8 117 119 A D >> - 0 0 73 1,-0.1 4,-2.7 142,-0.0 3,-1.1 -0.718 53.8-162.0-163.7 105.5 105.3 36.2 65.5 118 120 A W H 3> S+ 0 0 19 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.842 93.7 66.2 -57.9 -34.7 104.9 39.9 66.3 119 121 A S H 34 S+ 0 0 83 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.896 112.8 35.0 -55.4 -36.6 102.2 40.1 63.6 120 122 A K H X4 S+ 0 0 143 -3,-1.1 3,-1.0 2,-0.1 5,-0.4 0.898 117.1 50.7 -84.5 -42.6 100.2 37.9 65.9 121 123 A D H >< S+ 0 0 17 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.849 104.1 59.9 -64.5 -32.9 101.4 39.2 69.3 122 124 A R T 3< S+ 0 0 66 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.1 0.656 86.6 73.9 -72.6 -13.4 100.6 42.8 68.4 123 125 A E T < S- 0 0 102 -3,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.713 94.9-140.9 -71.7 -15.7 97.0 42.1 67.8 124 126 A D <> + 0 0 15 -3,-1.4 4,-1.7 -4,-0.3 5,-0.2 0.961 33.5 172.6 55.5 55.9 96.7 41.9 71.6 125 127 A Q H > + 0 0 69 -5,-0.4 4,-3.3 2,-0.2 5,-0.2 0.934 64.6 50.6 -61.7 -55.4 94.3 39.0 71.4 126 128 A V H > S+ 0 0 27 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.931 114.3 42.6 -52.4 -54.7 94.0 37.9 75.0 127 129 A L H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.920 116.6 48.9 -60.2 -44.2 93.2 41.4 76.4 128 130 A K H X S+ 0 0 93 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.899 110.7 51.8 -62.3 -41.6 90.8 42.1 73.5 129 131 A S H >X S+ 0 0 12 -4,-3.3 4,-2.5 2,-0.2 3,-0.6 0.975 110.4 46.1 -59.8 -57.8 89.1 38.8 74.1 130 132 A F H 3X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.908 112.6 52.2 -51.0 -44.9 88.5 39.4 77.8 131 133 A A H 3< S+ 0 0 19 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.842 113.2 44.7 -62.0 -33.1 87.3 42.9 77.0 132 134 A K H << S+ 0 0 133 -4,-1.8 -2,-0.2 -3,-0.6 -1,-0.2 0.929 121.0 33.9 -77.5 -48.6 84.8 41.5 74.4 133 135 A Y H < S+ 0 0 54 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.668 98.4 92.7 -85.1 -17.2 83.3 38.6 76.3 134 136 A S < - 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0 0 2 -5,-1.7 31,-2.1 -32,-0.2 2,-1.2 -0.440 62.0 -97.3 -99.4 177.6 107.6 66.1 77.7 200 202 A D E - i 0 230D 37 -31,-3.0 -29,-0.4 29,-0.2 2,-0.2 -0.620 49.6-164.3 -96.8 74.5 110.6 66.1 75.4 201 203 A V E - i 0 231D 1 29,-1.4 31,-1.1 -2,-1.2 2,-0.5 -0.355 14.7-175.3 -67.5 130.4 110.8 62.4 74.6 202 204 A T E -hi 172 232D 14 -31,-1.6 2,-1.5 29,-0.2 -29,-0.9 -0.974 16.1-150.4-126.4 113.1 113.9 60.9 73.0 203 205 A L E -hi 173 233D 0 29,-2.5 31,-1.6 -2,-0.5 2,-0.4 -0.679 19.9-169.7 -86.5 88.8 113.7 57.2 72.2 204 206 A L E +hi 174 234D 0 -31,-1.8 -29,-2.3 -2,-1.5 31,-0.2 -0.667 20.8 144.9 -81.5 128.0 117.3 56.2 72.6 205 207 A C - 0 0 0 29,-1.8 6,-0.1 -2,-0.4 -2,-0.0 -0.970 54.4-102.5-155.1 162.8 118.1 52.7 71.3 206 208 A P S S- 0 0 6 0, 0.0 -1,-0.2 0, 0.0 62,-0.0 0.980 91.3 -1.5 -55.6 -78.5 120.9 50.9 69.5 207 209 A T S > S- 0 0 31 1,-0.1 3,-4.5 4,-0.0 4,-0.3 -0.810 76.9 -99.7-118.1 158.3 119.9 50.6 65.8 208 210 A P G > S+ 0 0 87 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.743 119.9 72.7 -43.6 -22.5 116.8 51.6 63.8 209 211 A D G 3 S+ 0 0 63 1,-0.3 46,-0.3 45,-0.1 48,-0.2 0.775 91.3 56.3 -64.3 -25.9 115.9 47.9 64.2 210 212 A Y G < S+ 0 0 1 -3,-4.5 -1,-0.3 44,-0.2 2,-0.1 0.384 77.0 120.6 -88.8 3.0 115.1 48.7 67.9 211 213 A I S < S- 0 0 52 -3,-1.5 44,-0.3 -4,-0.3 3,-0.1 -0.459 71.1-104.1 -68.7 139.1 112.6 51.4 67.2 212 214 A L - 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0 0 26 -26,-1.7 4,-2.2 -2,-0.3 5,-0.3 -0.652 28.3-109.3 -95.1 155.9 124.7 49.5 87.6 303 305 A D H > S+ 0 0 67 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.918 119.7 55.0 -45.5 -47.8 124.8 49.1 91.4 304 306 A A H > S+ 0 0 34 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.955 107.9 45.2 -51.0 -62.4 125.8 52.7 91.7 305 307 A V H 4 S+ 0 0 4 1,-0.2 -1,-0.2 -29,-0.2 -2,-0.2 0.839 114.5 49.4 -53.1 -39.1 122.9 54.1 89.7 306 308 A M H < S+ 0 0 25 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.905 114.0 44.6 -68.9 -41.5 120.4 51.9 91.6 307 309 A D H < S+ 0 0 111 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.566 92.8 114.2 -78.4 -7.1 121.8 52.9 95.0 308 310 A S S >< S- 0 0 34 -4,-1.0 3,-2.3 -5,-0.2 -19,-0.1 -0.356 76.5-127.9 -64.9 138.5 121.8 56.5 93.7 309 311 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.563 108.0 66.6 -65.8 -1.9 119.4 58.9 95.5 310 312 A N T 3 S+ 0 0 45 -5,-0.2 -21,-2.6 -22,-0.1 2,-0.9 0.411 74.4 100.8 -96.5 -0.1 118.2 59.8 92.1 311 313 A C B < +k 289 0D 21 -3,-2.3 3,-0.4 -23,-0.2 -21,-0.2 -0.776 44.8 178.0 -87.9 107.2 116.7 56.4 91.4 312 314 A I > + 0 0 13 -23,-2.1 4,-2.3 -2,-0.9 3,-0.2 0.096 43.5 117.6 -96.9 25.4 113.0 56.7 92.0 313 315 A A H > S+ 0 0 0 -24,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.905 73.2 48.9 -56.9 -48.4 112.3 53.1 91.1 314 316 A I H > S+ 0 0 117 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.825 111.7 49.8 -65.9 -30.2 111.0 52.0 94.5 315 317 A D H > S+ 0 0 79 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.906 110.4 49.9 -73.1 -40.9 108.6 55.0 94.6 316 318 A E H X S+ 0 0 0 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.945 112.7 48.3 -60.2 -46.7 107.3 54.2 91.1 317 319 A A H >X S+ 0 0 17 -4,-2.6 3,-1.7 1,-0.2 4,-0.6 0.939 109.9 51.0 -58.6 -50.7 106.8 50.6 92.2 318 320 A E H >X S+ 0 0 85 -4,-2.4 3,-1.1 1,-0.3 4,-0.7 0.846 102.5 61.4 -57.8 -33.9 105.0 51.6 95.4 319 321 A N H 3X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.3 5,-0.3 0.683 84.3 77.0 -68.4 -15.9 102.7 53.9 93.3 320 322 A R H