==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-JUL-09 3IFE . COMPND 2 MOLECULE: PEPTIDASE T; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR G.MINASOV,A.HALAVATY,L.SHUVALOVA,I.DUBROVSKA,J.WINSOR,W.F.AN . 416 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19063.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 26 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 0 0 1 0 0 1 0 1 0 0 0 0 1 2 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 0 1 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 0 PARALLEL BRIDGES PER LADDER . 2 3 3 0 1 0 0 2 0 1 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 0 2 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 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 -5 A Y > 0 0 215 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -21.1 43.0 43.8 22.7 2 -4 A F H > + 0 0 177 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.897 360.0 46.3 -54.2 -49.5 44.8 45.9 20.0 3 -3 A Q H > S+ 0 0 94 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.925 117.1 43.0 -60.8 -48.2 48.4 45.2 21.0 4 -2 A S H > S+ 0 0 43 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.887 112.3 54.3 -68.3 -40.1 47.9 41.4 21.4 5 -1 A N H X S+ 0 0 106 -4,-2.9 4,-2.0 1,-0.2 5,-0.2 0.957 112.1 43.8 -56.6 -52.4 45.8 41.2 18.2 6 0 A A H X S+ 0 0 60 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.909 116.9 46.0 -61.5 -41.1 48.5 42.8 16.2 7 1 A M H X S+ 0 0 10 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.941 112.4 47.6 -72.6 -46.1 51.4 40.8 17.8 8 2 A K H X S+ 0 0 65 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.938 113.5 49.8 -58.3 -45.8 49.7 37.4 17.5 9 3 A E H X S+ 0 0 132 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.929 114.4 43.4 -56.1 -51.5 48.8 37.9 13.9 10 4 A E H X S+ 0 0 34 -4,-1.9 4,-2.6 -5,-0.2 5,-0.3 0.885 111.3 54.0 -67.0 -41.6 52.3 39.1 12.9 11 5 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.931 113.0 42.8 -58.3 -48.2 54.1 36.3 14.9 12 6 A I H X S+ 0 0 25 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.928 113.8 52.0 -66.1 -42.6 52.1 33.6 13.1 13 7 A E H X S+ 0 0 100 -4,-2.5 4,-1.4 -5,-0.2 -2,-0.2 0.945 117.6 36.1 -59.7 -53.0 52.4 35.2 9.7 14 8 A R H X S+ 0 0 19 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.944 117.3 51.4 -67.4 -47.6 56.2 35.6 9.8 15 9 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 5,-0.2 0.920 110.2 48.0 -58.4 -47.9 56.9 32.4 11.7 16 10 A T H X S+ 0 0 24 -4,-2.5 4,-0.9 -5,-0.2 -1,-0.2 0.858 111.4 51.8 -64.5 -34.1 54.8 30.2 9.3 17 11 A R H < S+ 0 0 82 -4,-1.4 3,-0.4 -5,-0.3 4,-0.2 0.949 112.2 46.6 -62.4 -47.1 56.6 31.8 6.3 18 12 A Y H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.882 106.4 54.7 -66.7 -39.4 60.0 31.1 7.8 19 13 A V H 3< S+ 0 0 0 -4,-2.3 78,-0.5 1,-0.3 -1,-0.2 0.790 98.9 64.6 -68.4 -23.6 59.5 27.5 8.8 20 14 A K T 3< S+ 0 0 126 -4,-0.9 2,-0.5 -3,-0.4 76,-0.3 0.529 86.6 85.8 -75.1 -8.0 58.4 26.7 5.2 21 15 A I S < S- 0 0 29 -3,-1.6 2,-0.7 -4,-0.2 16,-0.0 -0.866 84.4-127.5 -95.8 124.9 62.0 27.6 4.0 22 16 A D + 0 0 60 -2,-0.5 19,-0.1 1,-0.2 18,-0.1 -0.615 43.7 156.2 -73.1 110.3 64.5 24.7 4.2 23 17 A T + 0 0 0 -2,-0.7 65,-0.8 71,-0.3 -1,-0.2 0.081 13.9 146.9-124.0 21.4 67.4 26.1 6.1 24 18 A Q B -a 88 0A 54 63,-0.3 13,-0.2 70,-0.1 14,-0.2 -0.361 42.7-133.8 -58.9 137.1 69.0 22.9 7.5 25 19 A S - 0 0 2 63,-1.5 2,-0.3 12,-0.1 -1,-0.1 -0.435 12.9-152.9 -87.9 165.4 72.7 23.3 7.7 26 20 A N > - 0 0 70 -2,-0.1 3,-1.6 3,-0.1 158,-0.1 -0.874 12.2-162.0-146.6 110.3 75.2 20.6 6.5 27 21 A E T 3 S+ 0 0 114 -2,-0.3 -1,-0.1 1,-0.3 157,-0.0 0.713 89.5 70.2 -63.9 -21.7 78.7 20.1 7.9 28 22 A D T 3 S+ 0 0 124 2,-0.0 2,-0.3 6,-0.0 -1,-0.3 0.706 89.7 74.5 -69.7 -19.3 79.7 18.1 4.9 29 23 A S < - 0 0 31 -3,-1.6 5,-0.1 1,-0.1 -3,-0.1 -0.710 65.0-164.8 -90.0 147.5 79.6 21.3 2.9 30 24 A H + 0 0 148 -2,-0.3 2,-0.1 4,-0.1 -1,-0.1 0.240 53.8 105.6-119.9 14.6 82.4 23.8 3.4 31 25 A T S S- 0 0 84 3,-0.2 -2,-0.1 2,-0.1 31,-0.1 -0.426 80.6 -97.5 -81.3 165.2 80.9 26.8 1.9 32 26 A V S S+ 0 0 38 1,-0.2 2,-0.1 29,-0.2 31,-0.1 -0.972 119.7 30.9-129.1 112.4 79.7 29.6 4.2 33 27 A P S S- 0 0 9 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.634 93.5-145.0 -70.0 160.3 76.7 29.3 4.6 34 28 A T S S+ 0 0 6 -2,-0.1 -3,-0.2 -5,-0.1 -2,-0.1 0.704 78.8 36.8 -68.1 -24.4 76.8 25.5 4.2 35 29 A T S >> S- 0 0 26 -12,-0.1 3,-1.1 1,-0.1 4,-0.7 -0.975 74.4-129.1-133.7 146.7 73.4 25.3 2.4 36 30 A P H >> S+ 0 0 102 0, 0.0 4,-2.3 0, 0.0 3,-0.5 0.776 102.6 70.9 -64.5 -28.2 71.6 27.5 -0.1 37 31 A G H 3> S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.842 94.8 55.4 -56.0 -33.5 68.4 27.6 1.9 38 32 A Q H <> S+ 0 0 0 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.860 106.7 49.9 -68.3 -35.2 70.3 29.8 4.4 39 33 A I H S+ 0 0 0 -4,-3.1 5,-1.9 1,-0.2 4,-1.7 0.906 110.8 49.0 -63.5 -40.6 64.2 44.4 7.4 50 44 A K H <5S+ 0 0 109 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.901 110.0 50.5 -66.7 -38.9 64.2 47.1 4.8 51 45 A E H <5S+ 0 0 143 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.863 107.0 54.0 -70.3 -32.3 60.4 47.1 4.6 52 46 A V H <5S- 0 0 10 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.906 122.6-111.5 -63.2 -38.8 60.1 47.4 8.4 53 47 A G T <5 + 0 0 32 -4,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.497 63.0 149.2 120.3 6.9 62.3 50.5 8.1 54 48 A L < - 0 0 10 -5,-1.9 3,-0.2 15,-0.1 15,-0.2 -0.271 34.9-137.7 -65.5 159.0 65.7 49.5 9.6 55 49 A T E S+B 68 0B 60 13,-2.7 13,-2.9 1,-0.2 3,-0.2 -0.604 73.9 36.1-111.9 174.5 68.8 51.0 8.2 56 50 A E E S- 0 0 118 1,-0.2 2,-0.7 -2,-0.2 -1,-0.2 0.875 73.7-179.7 49.1 45.6 72.3 49.8 7.4 57 51 A V E + 0 0 22 -3,-0.2 2,-0.3 10,-0.2 10,-0.2 -0.690 8.4 168.3 -83.5 116.9 70.8 46.5 6.2 58 52 A T E -B 66 0B 71 8,-2.7 8,-2.3 -2,-0.7 2,-0.4 -0.909 31.8-168.1-130.4 155.0 73.6 44.2 5.1 59 53 A M E -B 65 0B 50 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.918 26.8-146.9-140.3 113.0 74.2 40.6 4.1 60 54 A D > - 0 0 62 4,-2.2 3,-1.8 -2,-0.4 -2,-0.0 -0.095 33.3 -92.3 -77.9 176.7 77.9 39.8 3.8 61 55 A D T 3 S+ 0 0 166 1,-0.3 -29,-0.2 2,-0.1 -1,-0.1 0.587 126.1 54.6 -64.7 -13.2 79.6 37.3 1.5 62 56 A N T 3 S- 0 0 53 2,-0.1 -1,-0.3 128,-0.1 128,-0.1 0.252 121.2-103.4-101.4 5.4 79.3 34.6 4.2 63 57 A G S < S+ 0 0 0 -3,-1.8 2,-0.6 1,-0.3 -2,-0.1 0.613 70.4 145.8 84.8 12.2 75.5 35.0 4.6 64 58 A Y - 0 0 4 115,-0.1 -4,-2.2 126,-0.1 2,-0.4 -0.763 34.6-154.3 -85.2 123.0 75.5 37.0 7.9 65 59 A V E +BC 59 178B 1 113,-2.6 113,-2.2 -2,-0.6 2,-0.3 -0.826 17.8 172.6-100.6 131.7 72.7 39.5 8.0 66 60 A M E +BC 58 177B 8 -8,-2.3 -8,-2.7 -2,-0.4 2,-0.3 -0.964 1.7 168.9-136.2 154.0 72.9 42.7 10.1 67 61 A A E - C 0 176B 0 109,-1.8 109,-2.5 -2,-0.3 2,-0.4 -0.986 22.6-126.5-159.0 163.3 70.8 45.8 10.5 68 62 A T E -BC 55 175B 3 -13,-2.9 -13,-2.7 -2,-0.3 107,-0.2 -0.942 4.8-161.5-121.1 134.7 70.3 48.9 12.6 69 63 A L E - C 0 174B 4 105,-3.0 105,-2.3 -2,-0.4 3,-0.1 -0.959 40.6-126.7-104.4 111.2 67.3 50.4 14.4 70 64 A P - 0 0 58 0, 0.0 101,-0.1 0, 0.0 105,-0.0 -0.166 29.1 -88.3 -60.9 151.2 68.5 54.0 14.9 71 65 A A - 0 0 57 1,-0.1 101,-0.2 102,-0.1 2,-0.2 -0.249 31.1-165.6 -56.5 148.8 68.5 55.5 18.4 72 66 A N B +I 171 0C 44 99,-3.4 99,-1.7 -3,-0.1 2,-0.3 -0.705 59.1 74.9-137.7 70.9 65.4 57.3 19.5 73 67 A T S S- 0 0 29 -2,-0.2 4,-0.1 97,-0.2 -2,-0.0 -0.927 71.4-131.9-173.5 157.2 66.6 59.2 22.5 74 68 A D S S+ 0 0 177 -2,-0.3 2,-0.1 2,-0.1 -1,-0.0 0.525 82.9 93.8 -94.7 -8.1 68.7 62.3 23.4 75 69 A K S S- 0 0 86 1,-0.1 2,-0.8 96,-0.0 -2,-0.1 -0.370 85.2-110.9 -83.0 162.8 70.7 60.2 25.9 76 70 A D + 0 0 152 -2,-0.1 -2,-0.1 96,-0.1 -1,-0.1 -0.850 49.0 172.3 -92.0 109.5 74.0 58.4 25.4 77 71 A V - 0 0 15 -2,-0.8 96,-0.4 339,-0.1 336,-0.1 -0.945 36.2-105.3-122.4 140.5 72.9 54.7 25.6 78 72 A P - 0 0 47 0, 0.0 2,-0.4 0, 0.0 94,-0.2 -0.338 39.6-108.7 -62.7 147.9 75.0 51.6 24.9 79 73 A V - 0 0 31 118,-0.1 120,-2.6 93,-0.1 121,-0.9 -0.648 40.6-163.2 -76.0 126.1 74.3 49.9 21.6 80 74 A I E -de 174 200B 4 93,-1.7 95,-2.5 -2,-0.4 2,-0.3 -0.849 1.1-149.8-113.8 150.5 72.6 46.6 22.3 81 75 A G E -de 175 201B 0 119,-1.7 121,-2.1 -2,-0.3 2,-0.4 -0.835 9.4-157.4-120.0 157.4 72.1 43.7 20.0 82 76 A F E -de 176 202B 0 93,-1.8 95,-1.8 -2,-0.3 2,-0.3 -0.998 20.8-168.9-131.1 133.3 69.6 40.9 19.4 83 77 A L E +de 177 203B 1 119,-2.4 121,-2.8 -2,-0.4 2,-0.3 -0.895 15.3 164.2-127.6 150.9 70.7 37.6 17.7 84 78 A A E -d 178 0B 0 93,-1.6 95,-2.0 -2,-0.3 2,-0.3 -0.967 31.4-115.7-155.7 155.1 69.2 34.5 16.1 85 79 A H E -d 179 0B 1 -2,-0.3 68,-0.2 93,-0.2 67,-0.1 -0.771 7.3-148.5-100.9 149.3 70.4 31.8 13.8 86 80 A L + 0 0 0 93,-2.8 2,-0.1 -2,-0.3 -1,-0.1 0.714 69.4 80.1 -80.7 -27.6 69.1 31.0 10.3 87 81 A D - 0 0 0 92,-0.5 2,-0.3 62,-0.1 -63,-0.3 -0.449 63.0-140.2 -94.3 158.1 69.6 27.2 10.2 88 82 A T B -a 24 0A 1 -65,-0.8 -63,-1.5 -2,-0.1 61,-0.1 -0.755 42.0 -71.4-111.0 161.8 67.7 24.2 11.6 89 83 A A > - 0 0 2 59,-0.4 3,-0.6 -2,-0.3 -1,-0.1 -0.024 23.6-139.0 -56.9 147.8 69.1 21.0 13.2 90 84 A T T 3 S+ 0 0 71 93,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.631 90.9 81.5 -79.3 -14.5 70.9 18.3 11.3 91 85 A D T 3 S+ 0 0 103 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.776 103.1 9.2 -62.9 -32.9 69.0 15.6 13.3 92 86 A F S < S- 0 0 63 -3,-0.6 -1,-0.1 296,-0.1 52,-0.1 -0.992 92.7 -77.8-150.8 155.3 65.8 15.6 11.2 93 87 A T - 0 0 56 -2,-0.3 51,-2.4 49,-0.2 -4,-0.1 -0.219 27.6-176.0 -61.4 137.5 64.6 17.1 8.0 94 88 A G + 0 0 1 49,-0.2 3,-0.4 -6,-0.1 2,-0.4 -0.009 49.6 116.9-115.3 21.1 63.5 20.7 7.9 95 89 A K S S- 0 0 119 1,-0.2 -74,-0.1 -73,-0.1 -75,-0.1 -0.799 81.4 -0.6 -97.3 134.1 62.3 20.5 4.3 96 90 A N S S- 0 0 97 -2,-0.4 -1,-0.2 -76,-0.3 -76,-0.1 0.906 81.4-169.2 55.5 46.5 58.7 21.1 3.4 97 91 A V - 0 0 3 -78,-0.5 -1,-0.2 -3,-0.4 48,-0.1 -0.447 10.4-155.9 -64.9 136.0 57.6 21.7 7.0 98 92 A K - 0 0 112 -2,-0.1 44,-0.1 2,-0.0 45,-0.1 -0.798 12.8-154.4-117.2 84.4 53.8 21.8 7.3 99 93 A P - 0 0 29 0, 0.0 2,-0.5 0, 0.0 40,-0.2 -0.337 2.8-153.9 -65.4 141.8 53.1 23.9 10.4 100 94 A Q E -J 138 0D 52 38,-2.5 38,-2.1 2,-0.0 2,-0.6 -0.976 4.6-146.9-117.7 126.3 49.8 23.2 12.2 101 95 A I E -J 137 0D 78 -2,-0.5 2,-0.6 36,-0.2 36,-0.2 -0.854 12.6-172.4 -97.8 120.3 48.1 25.9 14.3 102 96 A H E > -J 136 0D 46 34,-3.1 34,-2.5 -2,-0.6 3,-0.5 -0.901 10.0-164.3-114.9 99.1 46.2 24.6 17.4 103 97 A E T 3 + 0 0 107 -2,-0.6 32,-0.2 32,-0.2 3,-0.1 -0.523 69.2 10.8 -84.4 150.3 44.3 27.4 19.0 104 98 A N T 3 S- 0 0 129 29,-0.4 -1,-0.2 -2,-0.2 31,-0.2 0.905 90.5-148.3 50.0 50.5 42.9 27.2 22.5 105 99 A F < - 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L 0 384D 0 -8,-1.9 -8,-2.9 -254,-0.2 2,-0.3 -0.957 21.9-152.6-151.2 167.1 56.3 22.7 19.0 393 387 A V E -KL 137 383D 0 -256,-1.8 -256,-2.5 -2,-0.3 2,-0.6 -0.998 17.1-128.0-146.7 144.8 56.0 26.3 20.1 394 388 A S E > -K 136 0D 0 -12,-1.6 4,-2.0 -2,-0.3 -258,-0.2 -0.867 8.6-160.3 -94.0 120.9 53.6 28.5 22.1 395 389 A V H > S+ 0 0 2 -260,-2.8 4,-2.1 -2,-0.6 -1,-0.2 0.838 94.7 60.0 -67.2 -32.1 52.6 31.6 20.3 396 390 A D H > S+ 0 0 59 -261,-0.7 4,-1.3 1,-0.2 -1,-0.2 0.924 107.9 44.4 -59.8 -42.7 51.5 33.0 23.6 397 391 A V H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.871 107.5 58.5 -71.9 -35.1 55.1 32.6 24.9 398 392 A M H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.906 104.8 52.4 -57.9 -39.3 56.4 34.1 21.6 399 393 A E H X S+ 0 0 26 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.874 106.9 51.2 -63.9 -40.0 54.4 37.2 22.4 400 394 A K H X S+ 0 0 56 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.880 107.5 54.0 -63.7 -38.8 56.0 37.3 25.9 401 395 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.910 107.5 50.1 -61.9 -43.3 59.5 37.1 24.2 402 396 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.937 109.4 51.5 -58.1 -46.2 58.7 40.1 22.0 403 397 A Q H X S+ 0 0 43 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.870 107.4 53.5 -59.4 -37.8 57.6 42.0 25.1 404 398 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.916 107.3 50.4 -64.5 -43.2 60.9 41.2 26.8 405 399 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.946 112.8 46.9 -59.2 -48.1 62.9 42.5 23.9 406 400 A I H X S+ 0 0 20 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.923 113.1 48.4 -59.5 -46.2 60.9 45.8 23.9 407 401 A E H X S+ 0 0 25 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.880 109.7 52.2 -65.0 -40.4 61.3 46.1 27.7 408 402 A I H X S+ 0 0 1 -4,-2.7 4,-2.0 2,-0.2 5,-0.2 0.949 111.1 48.1 -60.3 -48.0 65.0 45.5 27.6 409 403 A A H X S+ 0 0 1 -4,-2.5 4,-1.4 -5,-0.2 -237,-0.4 0.939 114.7 44.3 -59.0 -48.5 65.4 48.2 24.9 410 404 A R H X S+ 0 0 82 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.918 111.3 55.0 -63.2 -41.3 63.4 50.7 26.9 411 405 A R H X S+ 0 0 46 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.842 102.9 54.1 -62.3 -39.1 65.1 49.9 30.2 412 406 A F H X S+ 0 0 12 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.904 113.0 44.9 -61.0 -39.8 68.6 50.5 28.8 413 407 A E H >< S+ 0 0 24 -4,-1.4 3,-0.6 -243,-0.2 -2,-0.2 0.921 112.1 50.6 -71.7 -41.9 67.5 53.9 27.8 414 408 A E H 3< S+ 0 0 101 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.897 113.6 45.5 -63.6 -39.9 65.6 54.7 31.0 415 409 A Q H 3< 0 0 90 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.567 360.0 360.0 -81.8 -7.9 68.7 53.7 33.1 416 410 A A << 0 0 77 -4,-0.7 -339,-0.1 -3,-0.6 -3,-0.0 -0.321 360.0 360.0 -74.0 360.0 71.2 55.6 31.0