==== 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 LIGASE 28-MAY-09 2WJP . COMPND 2 MOLECULE: UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.TOMASIC,N.ZIDAR,R.SINK,A.KOVAC,V.RUPNIK,S.TURK,C.CONTRERAS . 436 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18872.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 303 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 4.8 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 34 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 3 1 0 3 0 2 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 5 5 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 PARALLEL BRIDGES PER LADDER . 1 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 1 0 0 0 1 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 A 0 0 71 0, 0.0 2,-0.5 0, 0.0 96,-0.0 0.000 360.0 360.0 360.0 151.2 3.8 63.4 137.5 2 2 A D + 0 0 111 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.945 360.0 167.7-121.7 111.8 1.3 66.2 137.0 3 3 A Y > + 0 0 9 -2,-0.5 3,-2.1 24,-0.1 -1,-0.1 0.408 29.7 137.5-101.7 2.1 -0.8 66.2 133.8 4 4 A Q T 3 S+ 0 0 104 1,-0.3 25,-0.1 25,-0.1 24,-0.1 -0.225 76.7 4.1 -56.0 129.2 -3.3 68.8 134.9 5 5 A G T 3 S+ 0 0 81 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.407 97.4 137.9 76.5 3.1 -4.1 71.3 132.1 6 6 A K < - 0 0 101 -3,-2.1 2,-0.8 1,-0.0 -1,-0.3 -0.494 57.7-128.5 -80.6 146.8 -2.1 69.5 129.5 7 7 A N - 0 0 51 -2,-0.2 59,-2.7 57,-0.1 60,-1.6 -0.865 37.1-172.3 -87.9 106.6 -3.1 68.8 125.9 8 8 A V E -a 67 0A 1 -2,-0.8 24,-2.1 22,-0.3 2,-0.4 -0.921 11.8-166.0-110.9 133.4 -2.4 65.1 125.7 9 9 A V E -ab 68 32A 0 58,-2.4 60,-3.2 -2,-0.4 2,-0.5 -0.980 5.3-157.7-120.6 127.8 -2.6 63.1 122.4 10 10 A I E -ab 69 33A 2 22,-2.9 24,-2.6 -2,-0.4 2,-0.6 -0.941 5.9-157.2-104.1 124.1 -2.8 59.3 122.4 11 11 A I E +ab 70 34A 3 58,-2.9 60,-2.5 -2,-0.5 24,-0.2 -0.923 63.3 24.7-105.0 115.9 -1.7 57.6 119.2 12 12 A G - 0 0 8 22,-3.0 23,-0.1 -2,-0.6 -1,-0.1 0.380 63.8-150.5 102.9 123.9 -3.0 54.1 118.7 13 13 A L > + 0 0 3 4,-0.1 4,-1.9 3,-0.1 3,-0.2 0.481 45.4 107.3 -96.5-122.9 -6.2 52.6 120.2 14 14 A G H > S- 0 0 13 27,-2.5 4,-2.6 2,-0.2 5,-0.2 -0.194 96.6 -49.3 67.8-175.9 -6.8 48.9 121.1 15 15 A L H > S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.898 143.0 47.7 -60.8 -40.5 -6.8 47.7 124.6 16 16 A T H > S+ 0 0 41 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.953 111.7 48.9 -72.2 -38.1 -3.6 49.5 125.5 17 17 A G H X S+ 0 0 5 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.916 111.1 51.7 -62.1 -44.5 -4.7 52.8 123.9 18 18 A L H X S+ 0 0 16 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.876 105.0 55.3 -61.8 -34.4 -7.9 52.5 125.8 19 19 A S H X S+ 0 0 6 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.872 108.2 49.8 -67.6 -34.3 -6.0 51.9 129.1 20 20 A C H X S+ 0 0 4 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.913 109.7 50.3 -65.6 -44.4 -4.2 55.2 128.3 21 21 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.950 113.1 46.3 -56.6 -49.1 -7.5 57.1 127.7 22 22 A D H X S+ 0 0 88 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.866 107.8 57.8 -64.8 -37.1 -8.9 55.7 131.0 23 23 A F H < S+ 0 0 24 -4,-1.9 4,-0.4 -5,-0.2 -1,-0.2 0.926 112.3 39.8 -58.5 -46.7 -5.7 56.7 132.9 24 24 A F H ><>S+ 0 0 0 -4,-2.0 5,-2.1 1,-0.2 3,-1.2 0.915 113.1 53.6 -72.4 -42.3 -6.0 60.3 131.9 25 25 A L H ><5S+ 0 0 57 -4,-2.6 3,-2.1 1,-0.3 -2,-0.2 0.905 104.2 56.1 -60.2 -38.8 -9.8 60.6 132.3 26 26 A A T 3<5S+ 0 0 91 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.651 107.7 50.6 -68.0 -14.0 -9.5 59.2 135.9 27 27 A R T < 5S- 0 0 76 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.242 125.0-102.9-106.1 11.2 -7.1 62.0 136.6 28 28 A G T < 5S+ 0 0 60 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.837 83.3 123.8 73.4 34.0 -9.5 64.7 135.2 29 29 A V < - 0 0 7 -5,-2.1 -1,-0.2 -25,-0.1 -2,-0.2 -0.995 50.3-150.9-126.7 121.8 -7.6 65.1 131.9 30 30 A T - 0 0 91 -2,-0.4 -22,-0.3 -24,-0.1 2,-0.1 -0.852 19.7-166.4 -94.2 105.7 -9.5 64.6 128.6 31 31 A P - 0 0 1 0, 0.0 20,-0.4 0, 0.0 2,-0.3 -0.367 15.8-126.2 -80.0 170.8 -7.0 63.4 126.0 32 32 A R E -b 9 0A 46 -24,-2.1 -22,-2.9 18,-0.1 2,-0.4 -0.885 22.7-145.4-110.1 153.4 -7.6 63.2 122.2 33 33 A V E +bc 10 52A 2 18,-2.4 20,-2.0 -2,-0.3 2,-0.3 -0.950 17.8 176.3-123.7 133.1 -7.0 60.0 120.3 34 34 A M E +bc 11 53A 0 -24,-2.6 -22,-3.0 -2,-0.4 2,-0.3 -0.980 1.0 175.9-128.1 156.7 -5.7 59.3 116.8 35 35 A D E - c 0 54A 3 18,-1.6 20,-1.3 21,-0.5 21,-1.0 -0.981 33.5-134.6-154.8 138.7 -5.0 56.1 114.9 36 36 A T S S+ 0 0 66 -2,-0.3 2,-0.3 19,-0.2 21,-0.1 0.690 86.0 87.6 -71.9 -16.9 -3.8 55.5 111.3 37 37 A R S S- 0 0 88 1,-0.1 18,-1.1 19,-0.1 19,-0.2 -0.653 79.4-134.3 -79.2 143.3 -6.5 52.7 110.9 38 38 A M S S+ 0 0 132 -2,-0.3 -1,-0.1 1,-0.3 18,-0.1 0.926 100.0 13.4 -65.8 -45.1 -10.0 53.8 109.8 39 39 A T S S- 0 0 114 15,-0.1 -1,-0.3 16,-0.0 3,-0.1 -0.738 87.9-168.3-130.1 81.1 -11.8 51.7 112.4 40 40 A P > - 0 0 6 0, 0.0 3,-1.6 0, 0.0 -5,-0.0 -0.294 36.4 -81.6 -70.4 160.7 -9.2 50.6 114.9 41 41 A P T 3 S+ 0 0 60 0, 0.0 -27,-2.5 0, 0.0 -4,-0.1 -0.315 116.3 23.3 -58.6 138.4 -9.9 48.0 117.6 42 42 A G T >> S+ 0 0 13 -29,-0.2 3,-1.6 -3,-0.1 4,-0.6 0.383 80.2 126.5 85.3 1.0 -11.8 49.4 120.6 43 43 A L G X4 S+ 0 0 31 -3,-1.6 3,-1.5 1,-0.3 -1,-0.0 0.896 71.8 54.5 -56.7 -42.9 -13.2 52.3 118.7 44 44 A D G 34 S+ 0 0 163 1,-0.3 -1,-0.3 -5,-0.1 -5,-0.0 0.638 106.8 53.4 -70.6 -10.5 -16.7 51.4 119.8 45 45 A K G <4 S+ 0 0 158 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.488 80.1 109.2 -97.9 -5.9 -15.5 51.5 123.5 46 46 A L S << S- 0 0 10 -3,-1.5 6,-0.0 -4,-0.6 -28,-0.0 -0.576 81.2-108.5 -73.6 126.4 -14.0 54.9 123.4 47 47 A P > - 0 0 49 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.218 22.5-121.7 -56.8 145.1 -16.2 57.3 125.4 48 48 A E T 3 S+ 0 0 190 1,-0.3 -2,-0.1 -3,-0.0 -3,-0.0 0.803 108.2 63.6 -62.4 -25.2 -18.2 59.7 123.3 49 49 A A T 3 S+ 0 0 87 2,-0.1 2,-0.6 0, 0.0 -1,-0.3 0.621 83.6 89.3 -75.9 -9.3 -16.6 62.7 125.1 50 50 A V S < S- 0 0 1 -3,-2.1 2,-0.2 -18,-0.0 -18,-0.1 -0.792 78.1-134.4 -93.9 117.4 -13.1 61.9 123.8 51 51 A E - 0 0 109 -2,-0.6 -18,-2.4 -20,-0.4 2,-0.3 -0.485 28.6-173.0 -65.6 142.4 -12.4 63.5 120.4 52 52 A R E -c 33 0A 86 -20,-0.2 2,-0.4 -2,-0.2 -18,-0.2 -0.976 21.0-163.2-141.0 154.3 -10.8 61.1 117.9 53 53 A H E -c 34 0A 50 -20,-2.0 -18,-1.6 -2,-0.3 2,-0.3 -0.995 21.3-177.7-136.3 120.7 -9.3 61.2 114.4 54 54 A T E +c 35 0A 41 -2,-0.4 -16,-0.2 -20,-0.2 -18,-0.2 -0.830 51.6 43.4-128.5 159.9 -8.9 58.0 112.5 55 55 A G S S+ 0 0 27 -20,-1.3 2,-0.3 -18,-1.1 -19,-0.2 0.382 117.3 13.9 93.6 -5.4 -7.5 56.9 109.1 56 56 A S S S- 0 0 56 -21,-1.0 -21,-0.5 -19,-0.2 2,-0.2 -0.939 90.7 -83.6-177.5 168.1 -4.3 59.0 109.3 57 57 A L - 0 0 18 -2,-0.3 2,-0.6 -23,-0.1 -3,-0.1 -0.662 37.5-133.5 -85.5 150.6 -2.3 61.0 111.9 58 58 A N > - 0 0 25 -2,-0.2 4,-2.2 1,-0.1 5,-0.1 -0.936 15.7-170.1-109.1 106.3 -3.5 64.6 112.5 59 59 A D H > S+ 0 0 87 -2,-0.6 4,-2.6 2,-0.2 5,-0.2 0.781 85.8 60.7 -67.6 -26.7 -0.5 67.1 112.4 60 60 A E H > S+ 0 0 162 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.952 111.2 41.2 -65.2 -44.6 -2.7 69.9 113.8 61 61 A W H 4 S+ 0 0 31 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.906 115.6 49.2 -67.3 -45.9 -3.3 67.9 116.9 62 62 A L H >< S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.934 111.5 47.4 -61.7 -45.4 0.2 66.5 117.3 63 63 A M H 3< S+ 0 0 94 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.724 111.6 52.7 -76.0 -10.2 1.9 69.9 116.9 64 64 A A T 3< S+ 0 0 51 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.489 90.1 110.4 -89.7 -15.8 -0.5 71.4 119.4 65 65 A A < - 0 0 7 -3,-1.3 -57,-0.2 -4,-0.5 3,-0.1 -0.381 51.0-165.3 -68.6 147.3 0.2 68.7 122.0 66 66 A D S S+ 0 0 84 -59,-2.7 24,-0.6 1,-0.3 2,-0.3 0.616 88.4 19.1 -87.2 -27.5 2.0 69.1 125.4 67 67 A L E -ad 8 90A 5 -60,-1.6 -58,-2.4 22,-0.1 2,-0.5 -0.976 66.3-161.1-148.0 129.6 2.4 65.3 125.7 68 68 A I E -ad 9 91A 0 22,-2.5 24,-2.6 -2,-0.3 2,-0.7 -0.973 5.3-160.1-113.0 128.0 2.2 62.6 123.0 69 69 A V E -ad 10 92A 3 -60,-3.2 -58,-2.9 -2,-0.5 2,-0.5 -0.941 16.7-159.3-111.2 106.4 1.6 59.0 124.2 70 70 A A E -a 11 0A 2 22,-3.0 24,-0.3 -2,-0.7 -58,-0.1 -0.810 12.8-130.7 -98.4 125.4 2.7 56.7 121.4 71 71 A S > - 0 0 18 -60,-2.5 3,-1.6 -2,-0.5 -58,-0.0 -0.338 25.5-119.8 -54.9 149.6 1.5 53.0 121.0 72 72 A P T 3 S+ 0 0 11 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.685 111.6 71.1 -65.1 -11.4 4.4 50.6 120.4 73 73 A G T 3 S+ 0 0 29 2,-0.1 2,-0.4 88,-0.0 -61,-0.1 0.600 85.7 72.7 -85.1 -4.3 2.6 49.9 117.1 74 74 A I S < S- 0 0 24 -3,-1.6 2,-0.2 -63,-0.2 -63,-0.0 -0.894 88.3-116.3-111.4 131.4 3.4 53.3 115.5 75 75 A A > - 0 0 40 -2,-0.4 3,-2.1 1,-0.2 6,-0.2 -0.453 7.8-144.8 -64.4 133.1 7.0 54.0 114.4 76 76 A L T 3 S+ 0 0 55 1,-0.3 -1,-0.2 -2,-0.2 9,-0.2 0.830 102.8 63.1 -63.7 -26.0 8.8 56.8 116.2 77 77 A A T 3 S+ 0 0 85 109,-0.1 -1,-0.3 4,-0.1 -2,-0.1 0.430 70.4 126.0 -76.9 -1.7 10.3 57.5 112.8 78 78 A H S <> S- 0 0 59 -3,-2.1 4,-2.8 1,-0.2 3,-0.5 -0.415 72.6-121.9 -57.8 130.9 6.9 58.3 111.2 79 79 A P H > S+ 0 0 101 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.828 110.7 52.7 -49.3 -38.0 7.5 61.8 109.7 80 80 A S H > S+ 0 0 16 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.910 113.8 41.8 -67.2 -38.6 4.6 63.3 111.8 81 81 A L H > S+ 0 0 1 -3,-0.5 4,-2.1 -6,-0.2 -1,-0.2 0.859 112.7 53.8 -76.2 -36.5 6.1 62.0 115.1 82 82 A S H X S+ 0 0 50 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.902 106.8 52.9 -62.8 -41.4 9.6 62.9 114.1 83 83 A A H X S+ 0 0 43 -4,-2.3 4,-1.4 -5,-0.3 -2,-0.2 0.915 108.6 49.5 -59.6 -43.3 8.4 66.4 113.4 84 84 A A H <>S+ 0 0 0 -4,-1.6 5,-2.3 1,-0.2 -1,-0.2 0.903 110.2 50.3 -63.5 -43.6 6.9 66.7 116.9 85 85 A A H ><5S+ 0 0 50 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.884 107.1 54.6 -58.7 -43.3 10.1 65.4 118.5 86 86 A D H 3<5S+ 0 0 136 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.813 104.3 55.7 -59.2 -33.8 12.1 68.0 116.6 87 87 A A T 3<5S- 0 0 59 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.398 121.5-110.4 -76.3 -0.2 9.8 70.6 118.1 88 88 A G T < 5 + 0 0 67 -3,-1.7 2,-0.5 1,-0.3 -3,-0.2 0.697 62.9 156.3 78.0 21.1 10.7 69.4 121.6 89 89 A I < - 0 0 24 -5,-2.3 -1,-0.3 1,-0.1 2,-0.1 -0.712 48.2-113.5 -84.1 126.8 7.3 67.9 122.2 90 90 A E E -d 67 0A 94 -24,-0.6 -22,-2.5 -2,-0.5 2,-0.4 -0.373 33.0-167.9 -63.6 132.0 7.5 65.2 124.9 91 91 A I E +d 68 0A 37 -24,-0.2 2,-0.3 -2,-0.1 -22,-0.2 -0.987 17.0 154.0-126.2 123.7 6.8 61.6 123.6 92 92 A V E -d 69 0A 3 -24,-2.6 -22,-3.0 -2,-0.4 2,-0.2 -0.819 27.6-135.7-131.0 177.7 6.2 58.7 126.0 93 93 A G > - 0 0 0 72,-0.9 4,-2.0 -2,-0.3 5,-0.2 -0.718 39.5 -85.9-126.1-176.1 4.4 55.3 125.9 94 94 A D H > S+ 0 0 4 -24,-0.3 4,-2.3 -2,-0.2 5,-0.1 0.868 124.3 56.1 -59.4 -37.9 2.1 53.4 128.4 95 95 A I H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.923 106.2 51.1 -64.8 -36.8 5.1 51.8 130.1 96 96 A E H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.938 110.1 49.5 -61.7 -46.6 6.6 55.2 130.9 97 97 A L H < S+ 0 0 0 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.910 112.9 47.9 -57.4 -43.6 3.3 56.4 132.4 98 98 A F H >X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 3,-1.6 0.931 108.0 53.6 -63.3 -47.0 3.1 53.2 134.5 99 99 A C H 3< S+ 0 0 18 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.829 103.7 57.0 -60.0 -34.8 6.7 53.5 135.8 100 100 A R T 3< S+ 0 0 67 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.669 118.6 32.7 -68.0 -23.0 6.1 57.1 137.0 101 101 A E T <4 S+ 0 0 45 -3,-1.6 -2,-0.2 -4,-0.5 -1,-0.2 0.674 85.5 117.1-103.9 -28.5 3.2 55.8 139.1 102 102 A A < - 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0 0 26 -19,-2.7 -17,-0.3 -2,-0.4 -14,-0.1 -0.823 41.4-119.8-134.2 168.3 -0.5 27.9 99.2 385 388 A E S S+ 0 0 127 -2,-0.3 -18,-2.3 -19,-0.2 2,-0.2 0.958 91.9 29.1 -70.2 -50.1 -2.2 31.2 99.9 386 389 A T S > S- 0 0 46 -20,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.709 72.6-120.9-116.4 162.1 -3.6 30.3 103.3 387 390 A M H > S+ 0 0 0 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.885 114.5 56.3 -62.9 -40.2 -2.8 28.1 106.3 388 391 A E H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.930 107.1 49.0 -60.7 -43.9 -6.2 26.3 105.9 389 392 A Q H > S+ 0 0 94 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.898 110.6 50.8 -58.7 -43.7 -5.2 25.4 102.3 390 393 A A H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.911 110.4 49.4 -61.6 -42.0 -1.8 24.1 103.5 391 394 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.904 111.2 48.3 -63.3 -42.7 -3.5 22.0 106.3 392 395 A R H < S+ 0 0 94 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.819 112.3 50.5 -71.6 -25.6 -5.9 20.4 103.8 393 396 A L H < S+ 0 0 53 -4,-1.8 4,-0.3 -5,-0.2 -2,-0.2 0.898 116.5 39.4 -72.1 -42.4 -3.0 19.7 101.4 394 397 A L H >X S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 4,-0.5 0.798 98.7 75.4 -81.3 -29.7 -0.9 18.0 104.1 395 398 A A G >< S+ 0 0 18 -4,-2.2 3,-1.4 1,-0.3 -1,-0.2 0.878 90.1 53.4 -60.9 -41.5 -3.5 16.1 106.0 396 399 A P G 34 S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.759 109.1 54.0 -61.5 -23.0 -4.1 13.3 103.5 397 400 A R G <4 S+ 0 0 88 -3,-1.4 -2,-0.2 -4,-0.3 2,-0.2 0.525 80.4 112.8 -86.2 -12.4 -0.3 12.6 103.5 398 401 A V << - 0 0 26 -3,-1.4 -89,-0.1 -4,-0.5 6,-0.0 -0.485 45.3-172.7 -70.7 132.2 0.1 12.2 107.3 399 402 A Q > - 0 0 113 -2,-0.2 3,-2.3 -64,-0.1 -64,-0.2 -0.891 38.7 -78.1-117.1 161.2 1.1 8.7 108.4 400 403 A P T 3 S+ 0 0 102 0, 0.0 -91,-0.2 0, 0.0 -92,-0.2 -0.280 120.6 33.7 -60.1 137.0 1.3 7.2 111.9 401 404 A G T 3 S+ 0 0 25 -93,-3.1 -67,-2.4 1,-0.4 -68,-0.5 0.151 94.9 120.5 98.2 -15.9 4.6 8.4 113.5 402 405 A D < - 0 0 8 -3,-2.3 -92,-1.5 -69,-0.2 2,-0.4 -0.343 52.3-143.1 -77.0 164.2 4.5 11.8 111.7 403 406 A M E -oq 310 336C 4 -68,-2.2 -66,-3.3 -94,-0.2 2,-0.6 -0.989 1.6-156.1-123.9 134.6 4.4 15.2 113.3 404 407 A V E -oq 311 337C 0 -94,-2.8 -92,-3.1 -2,-0.4 2,-0.5 -0.969 21.7-174.2-105.3 118.1 2.5 18.2 112.0 405 408 A L E -oq 312 338C 0 -68,-2.7 -66,-2.9 -2,-0.6 2,-0.9 -0.952 20.9-163.4-123.7 113.1 4.2 21.4 113.4 406 409 A L E +oq 313 339C 0 -94,-2.7 -92,-2.2 -2,-0.5 -89,-0.2 -0.874 37.6 139.1 -88.9 103.2 2.9 25.0 113.0 407 410 A S + 0 0 0 -68,-1.6 -92,-0.2 -2,-0.9 -89,-0.1 -0.669 25.9 179.1-141.4 80.5 6.0 27.0 113.8 408 411 A P - 0 0 0 0, 0.0 -67,-1.7 0, 0.0 -90,-0.1 0.576 26.1-142.8 -86.3 -10.0 5.7 29.6 111.1 409 412 A A S S+ 0 0 1 -92,-1.4 2,-0.3 -90,-0.3 -91,-0.3 0.514 72.4 80.3 69.3 14.7 8.8 31.9 111.7 410 413 A C S S- 0 0 0 -93,-0.8 -66,-0.2 -69,-0.4 -91,-0.2 -0.930 86.3 -93.2-147.2 156.0 6.6 35.0 110.8 411 414 A A B -S 343 0D 3 -68,-2.6 -68,-2.3 -2,-0.3 3,-0.2 -0.390 26.4-143.1 -67.4 158.5 4.1 37.4 112.2 412 415 A S S >> S+ 0 0 1 -70,-0.2 4,-2.1 1,-0.2 3,-1.8 0.471 71.4 104.9-100.7 -0.6 0.4 36.5 111.5 413 416 A L T 34 + 0 0 76 1,-0.3 -1,-0.2 2,-0.2 -71,-0.0 0.593 66.1 67.0 -74.0 -15.4 -0.8 40.0 110.9 414 417 A D T 34 S+ 0 0 59 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.812 125.6 8.2 -64.2 -33.3 -1.1 39.7 107.1 415 418 A Q T <4 S+ 0 0 63 -3,-1.8 2,-0.3 1,-0.1 -2,-0.2 0.454 126.0 48.9-127.0 -12.8 -4.0 37.2 107.4 416 419 A F S < S- 0 0 22 -4,-2.1 -1,-0.1 1,-0.1 3,-0.1 -0.935 73.8-119.7-129.1 167.3 -5.0 37.0 111.1 417 420 A K S S- 0 0 146 -2,-0.3 2,-0.3 1,-0.2 -4,-0.1 0.857 91.7 -33.5 -70.4 -37.3 -5.8 39.3 114.1 418 421 A N S > S- 0 0 49 -6,-0.1 4,-1.8 1,-0.1 3,-0.4 -0.964 70.4 -82.4-174.0 172.7 -2.8 37.9 116.0 419 422 A F H > S+ 0 0 13 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.810 122.5 61.1 -67.8 -23.5 -0.8 34.7 116.6 420 423 A E H > S+ 0 0 74 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.918 104.6 47.8 -64.5 -44.1 -3.4 33.4 119.1 421 424 A Q H > S+ 0 0 85 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.920 111.5 50.6 -62.9 -45.4 -6.1 33.4 116.4 422 425 A R H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.927 112.5 47.3 -55.3 -44.7 -3.7 31.7 114.0 423 426 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.895 111.3 50.2 -63.8 -44.0 -3.0 29.0 116.7 424 427 A N H X S+ 0 0 101 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.887 110.5 49.6 -64.1 -38.5 -6.7 28.6 117.5 425 428 A E H X S+ 0 0 52 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.933 110.1 51.6 -66.3 -43.1 -7.5 28.1 113.8 426 429 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.906 110.1 49.1 -54.4 -46.9 -4.7 25.5 113.5 427 430 A A H X S+ 0 0 14 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.918 110.0 50.2 -65.2 -41.6 -6.1 23.6 116.5 428 431 A R H X S+ 0 0 123 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.937 114.3 44.9 -58.8 -46.6 -9.7 23.6 115.1 429 432 A L H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.869 109.8 55.3 -69.4 -34.6 -8.4 22.3 111.7 430 433 A A H X S+ 0 0 0 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.908 108.7 48.5 -62.7 -42.8 -6.1 19.7 113.4 431 434 A K H < S+ 0 0 118 -4,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.916 115.0 44.9 -67.2 -38.7 -9.1 18.3 115.3 432 435 A E H >< S+ 0 0 94 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.952 123.0 34.2 -64.7 -50.7 -11.1 18.1 112.1 433 436 A L H 3< S+ 0 0 45 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.573 110.7 64.2 -83.7 -14.3 -8.4 16.6 109.9 434 437 A G T 3< S+ 0 0 10 -4,-1.7 2,-0.3 -5,-0.2 -1,-0.2 0.424 99.2 48.4-100.1 4.1 -6.7 14.4 112.6 435 438 A S < 0 0 60 -3,-0.6 -129,-0.0 -4,-0.4 -128,-0.0 -0.931 360.0 360.0-134.4 160.7 -9.5 12.0 113.4 436 439 A H 0 0 220 -2,-0.3 -1,-0.1 0, 0.0 -4,-0.0 0.751 360.0 360.0 -79.6 360.0 -11.9 9.9 111.3 437 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 438 1441 A X 0 0 159 0, 0.0 -120,-0.1 0, 0.0 -20,-0.0 0.000 360.0 360.0 360.0 360.0 4.1 40.5 116.5