==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 04-AUG-09 3IJI . COMPND 2 MOLECULE: MUCONATE CYCLOISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,T.LUKK,J.A.GERLT,S.C.ALMO . 676 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25749.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 446 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 9.5 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 . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 37 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 0 0 5 3 2 2 0 4 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 7 0 6 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 . 6 0 2 0 4 0 0 2 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 . 2 4 0 0 0 0 0 2 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 47 A K 0 0 126 0, 0.0 32,-2.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 119.1 16.1 -3.6 19.7 2 48 A M E +A 32 0A 29 30,-0.2 2,-0.3 61,-0.1 30,-0.2 -0.901 360.0 174.9-108.8 127.5 17.1 -1.1 17.0 3 49 A T E +A 31 0A 84 28,-2.7 28,-2.8 -2,-0.5 2,-0.3 -0.879 4.2 176.3-123.5 157.6 14.8 1.6 15.8 4 50 A F E +A 30 0A 47 -2,-0.3 26,-0.2 26,-0.2 -2,-0.0 -0.991 7.2 177.9-160.6 153.9 15.6 4.4 13.3 5 51 A F E -A 29 0A 76 24,-1.9 24,-2.7 -2,-0.3 2,-0.1 -0.990 37.2 -91.7-160.4 151.4 13.9 7.3 11.4 6 52 A P E +A 28 0A 65 0, 0.0 22,-0.3 0, 0.0 2,-0.2 -0.391 36.3 177.1 -65.8 140.4 14.7 10.1 9.0 7 53 A Y - 0 0 56 20,-3.3 18,-0.0 18,-0.1 21,-0.0 -0.649 18.4-150.2-147.3 82.2 15.6 13.4 10.7 8 54 A E - 0 0 84 -2,-0.2 2,-0.4 18,-0.1 36,-0.0 -0.302 15.4-131.0 -58.9 130.8 16.6 16.1 8.1 9 55 A L E -C 25 0B 0 16,-2.9 16,-2.0 273,-0.1 2,-0.6 -0.692 12.0-145.1 -85.9 134.6 19.1 18.6 9.4 10 56 A K E -C 24 0B 92 -2,-0.4 300,-2.9 14,-0.2 301,-0.5 -0.889 16.2-139.6-101.0 118.5 18.2 22.2 8.9 11 57 A L E -D 309 0C 19 12,-2.3 298,-0.3 -2,-0.6 297,-0.1 -0.564 7.7-136.4 -81.2 141.4 21.3 24.3 8.2 12 58 A R E S+ 0 0 103 296,-2.6 2,-0.3 -2,-0.2 -1,-0.1 0.835 86.4 3.6 -62.9 -33.3 21.6 27.8 9.8 13 59 A H E S- 0 0 140 295,-0.5 9,-0.1 9,-0.1 -1,-0.1 -0.929 100.6 -66.7-146.4 167.2 22.9 29.2 6.5 14 60 A V E - 0 0 97 -2,-0.3 2,-0.5 7,-0.1 9,-0.2 -0.399 53.7-154.0 -58.5 130.0 23.6 28.2 3.0 15 61 A F E -C 22 0B 23 7,-2.9 7,-1.9 -2,-0.1 2,-0.4 -0.948 8.2-160.0-114.8 126.2 26.5 25.7 3.2 16 62 A T E -C 21 0B 51 -2,-0.5 2,-0.5 5,-0.2 5,-0.2 -0.887 18.0-177.2-117.3 137.9 28.9 25.2 0.2 17 63 A V E > S-C 20 0B 20 3,-2.7 3,-2.5 -2,-0.4 2,-0.5 -0.973 75.0 -48.1-126.2 109.2 31.2 22.4 -0.8 18 64 A A T 3 S- 0 0 54 -2,-0.5 136,-0.0 1,-0.3 -2,-0.0 -0.506 125.7 -22.4 64.9-113.6 33.2 23.4 -3.9 19 65 A T T 3 S+ 0 0 143 -2,-0.5 2,-0.6 -3,-0.1 -1,-0.3 0.228 119.2 99.9-110.5 11.1 30.4 24.6 -6.3 20 66 A Y E < -C 17 0B 81 -3,-2.5 -3,-2.7 2,-0.0 2,-0.3 -0.877 49.7-177.0-106.8 111.9 27.6 22.8 -4.5 21 67 A S E +C 16 0B 63 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.780 6.5 167.8-105.9 148.9 25.5 24.7 -2.0 22 68 A R E -C 15 0B 17 -7,-1.9 -7,-2.9 -2,-0.3 -9,-0.1 -0.976 32.3-156.2-154.0 164.2 22.7 23.4 0.2 23 69 A T E S+ 0 0 79 -2,-0.3 -12,-2.3 -9,-0.2 2,-0.3 0.369 80.2 40.1-124.2 -0.9 20.4 24.4 3.1 24 70 A T E -C 10 0B 44 -14,-0.2 -14,-0.2 -9,-0.1 -1,-0.1 -0.950 62.1-149.3-144.0 161.4 19.5 20.9 4.4 25 71 A T E -C 9 0B 0 -16,-2.0 -16,-2.9 -2,-0.3 -18,-0.1 -0.966 22.3-124.0-138.8 120.2 21.2 17.6 5.1 26 72 A P + 0 0 26 0, 0.0 19,-3.1 0, 0.0 2,-0.3 -0.346 42.3 169.1 -59.1 142.1 19.6 14.1 4.9 27 73 A D E - B 0 44A 0 17,-0.2 -20,-3.3 18,-0.0 2,-0.4 -0.991 26.6-152.1-156.7 147.2 20.1 12.3 8.2 28 74 A V E -AB 6 43A 0 15,-2.6 15,-2.4 -2,-0.3 2,-0.4 -0.996 13.1-147.2-127.9 128.7 18.8 9.2 10.0 29 75 A Q E -AB 5 42A 2 -24,-2.7 -24,-1.9 -2,-0.4 2,-0.4 -0.810 16.5-162.2 -97.4 133.7 18.7 8.9 13.7 30 76 A V E -AB 4 41A 2 11,-2.5 11,-3.3 -2,-0.4 2,-0.4 -0.900 9.9-172.1-120.3 145.1 19.3 5.5 15.3 31 77 A E E -AB 3 40A 48 -28,-2.8 -28,-2.7 -2,-0.4 2,-0.5 -0.999 4.7-167.8-136.4 132.8 18.5 4.0 18.7 32 78 A I E -AB 2 39A 7 7,-2.2 7,-2.7 -2,-0.4 2,-0.4 -0.974 11.7-163.1-122.1 117.0 19.5 0.6 20.1 33 79 A E E + B 0 38A 74 -32,-2.9 2,-0.3 -2,-0.5 5,-0.2 -0.830 12.8 171.4-104.0 137.8 17.8 -0.4 23.3 34 80 A Y E > - B 0 37A 71 3,-2.7 3,-2.2 -2,-0.4 -2,-0.0 -0.924 69.9 -25.7-148.1 117.0 19.1 -3.2 25.6 35 81 A E T 3 S- 0 0 150 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.861 127.9 -44.5 46.1 46.2 17.7 -4.0 29.1 36 82 A G T 3 S+ 0 0 70 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.385 116.6 111.0 85.5 -5.3 16.4 -0.5 29.6 37 83 A V E < -B 34 0A 39 -3,-2.2 -3,-2.7 2,-0.0 2,-0.5 -0.863 51.8-155.1-105.9 138.0 19.5 1.3 28.3 38 84 A T E -B 33 0A 38 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.946 4.8-160.6-119.8 130.3 19.5 3.2 25.1 39 85 A G E -B 32 0A 0 -7,-2.7 -7,-2.2 -2,-0.5 2,-0.4 -0.889 15.9-140.8-105.9 135.8 22.4 4.0 22.8 40 86 A Y E +B 31 0A 23 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.833 23.4 174.0-102.4 131.7 22.1 6.8 20.3 41 87 A G E -B 30 0A 0 -11,-3.3 -11,-2.5 -2,-0.4 2,-0.3 -0.828 9.1-162.0-128.8 168.1 23.5 6.7 16.7 42 88 A E E -B 29 0A 0 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.994 12.5-161.2-156.2 144.0 23.4 8.8 13.7 43 89 A A E -B 28 0A 0 -15,-2.4 -15,-2.6 -2,-0.3 2,-0.5 -0.994 13.6-164.9-124.2 129.4 23.9 8.7 9.9 44 90 A S E -B 27 0A 1 -2,-0.4 -17,-0.2 -17,-0.2 7,-0.1 -0.978 1.4-164.7-118.0 130.2 24.5 12.0 8.0 45 91 A M - 0 0 2 -19,-3.1 8,-0.1 -2,-0.5 5,-0.1 -0.651 8.0-167.0-119.4 77.6 24.2 12.0 4.3 46 92 A P > - 0 0 1 0, 0.0 3,-2.6 0, 0.0 5,-0.4 -0.459 34.9-124.6 -58.9 125.6 25.6 15.0 2.4 47 93 A P G > S+ 0 0 58 0, 0.0 3,-1.3 0, 0.0 -22,-0.0 0.789 105.2 58.9 -41.7 -42.1 24.0 14.3 -1.1 48 94 A Y G 3 S+ 0 0 95 1,-0.3 -3,-0.0 2,-0.1 -28,-0.0 0.554 91.7 71.7 -71.8 -4.9 27.3 14.4 -3.0 49 95 A L G < S- 0 0 79 -3,-2.6 -1,-0.3 2,-0.2 3,-0.1 0.345 110.4-110.0 -93.3 7.3 28.7 11.5 -0.9 50 96 A G S < S+ 0 0 68 -3,-1.3 2,-0.2 1,-0.2 -2,-0.1 0.249 80.7 100.9 92.1 -15.6 26.4 8.9 -2.4 51 97 A E - 0 0 21 -5,-0.4 2,-0.3 -7,-0.1 -1,-0.2 -0.677 43.0-177.5-105.2 162.1 24.0 7.9 0.3 52 98 A T > - 0 0 64 -2,-0.2 4,-2.6 1,-0.1 5,-0.3 -0.888 46.1 -93.8-145.2 173.9 20.4 9.0 0.8 53 99 A V H > S+ 0 0 51 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.940 126.6 50.3 -58.5 -44.1 17.5 8.6 3.3 54 100 A E H > S+ 0 0 141 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.937 111.1 46.1 -59.5 -49.9 16.3 5.7 1.1 55 101 A S H > S+ 0 0 28 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 115.8 46.1 -62.4 -41.2 19.7 4.0 1.0 56 102 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.924 113.8 46.9 -68.4 -45.4 20.2 4.3 4.7 57 103 A M H X S+ 0 0 29 -4,-2.8 4,-1.9 -5,-0.3 -2,-0.2 0.919 113.5 49.7 -62.4 -43.0 16.8 3.2 5.7 58 104 A N H < S+ 0 0 79 -4,-2.6 4,-0.4 -5,-0.3 -1,-0.2 0.878 112.4 47.6 -64.5 -37.0 17.0 0.2 3.3 59 105 A F H >X S+ 0 0 3 -4,-2.0 3,-1.9 -5,-0.2 4,-0.6 0.954 110.4 50.7 -68.0 -48.9 20.4 -0.7 4.7 60 106 A L H >< S+ 0 0 1 -4,-2.8 3,-1.0 1,-0.3 -2,-0.2 0.832 102.1 62.1 -58.1 -32.6 19.2 -0.5 8.4 61 107 A K T 3< S+ 0 0 122 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.694 99.7 56.4 -66.9 -17.3 16.2 -2.6 7.6 62 108 A K T <4 S+ 0 0 122 -3,-1.9 2,-0.5 -4,-0.4 -1,-0.2 0.664 86.2 99.5 -86.6 -18.1 18.7 -5.4 6.7 63 109 A V << - 0 0 18 -3,-1.0 2,-0.7 -4,-0.6 -61,-0.1 -0.579 51.0-171.2 -78.3 122.0 20.4 -5.3 10.1 64 110 A N + 0 0 65 -2,-0.5 3,-0.2 1,-0.1 -3,-0.0 -0.891 20.3 156.8-114.4 100.0 19.3 -7.9 12.6 65 111 A L > + 0 0 20 -2,-0.7 3,-1.8 1,-0.2 -1,-0.1 0.580 62.3 80.3 -95.3 -14.0 20.8 -7.2 16.1 66 112 A E T 3 S+ 0 0 128 1,-0.3 -1,-0.2 -64,-0.1 -2,-0.0 0.755 83.7 64.5 -64.5 -22.0 18.1 -9.1 17.9 67 113 A Q T 3 S+ 0 0 111 -3,-0.2 2,-0.6 2,-0.0 -1,-0.3 0.590 90.1 79.3 -76.3 -10.7 20.1 -12.3 17.1 68 114 A F < - 0 0 50 -3,-1.8 -1,-0.0 1,-0.1 -3,-0.0 -0.890 57.2-174.9-102.5 120.6 23.0 -11.0 19.2 69 115 A S S S+ 0 0 106 -2,-0.6 -1,-0.1 1,-0.2 -3,-0.1 0.533 71.9 56.9 -91.2 -7.0 22.5 -11.4 22.9 70 116 A D > - 0 0 56 1,-0.1 3,-1.9 3,-0.1 -1,-0.2 -0.887 57.9-167.9-131.2 102.9 25.6 -9.5 24.0 71 117 A P T 3 S+ 0 0 9 0, 0.0 32,-0.2 0, 0.0 -1,-0.1 0.693 84.8 72.0 -61.0 -17.2 26.1 -5.9 22.9 72 118 A F T 3 S+ 0 0 91 1,-0.2 2,-2.1 2,-0.1 3,-0.3 0.654 71.9 87.7 -73.5 -15.3 29.8 -6.0 24.1 73 119 A Q <> + 0 0 89 -3,-1.9 4,-2.7 1,-0.2 -1,-0.2 -0.349 49.0 152.0 -83.6 62.0 30.7 -8.3 21.1 74 120 A L H > + 0 0 5 -2,-2.1 4,-2.6 1,-0.2 5,-0.3 0.818 64.5 59.1 -61.7 -35.0 31.4 -5.3 18.9 75 121 A E H > S+ 0 0 93 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.969 114.3 36.7 -58.7 -52.6 34.0 -7.1 16.8 76 122 A D H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.914 118.9 49.0 -66.2 -46.6 31.5 -9.8 15.8 77 123 A I H X S+ 0 0 3 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.936 114.8 42.6 -62.2 -48.3 28.5 -7.4 15.5 78 124 A L H X S+ 0 0 24 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.745 110.5 56.4 -73.3 -22.2 30.2 -4.8 13.4 79 125 A S H X S+ 0 0 77 -4,-1.3 4,-1.8 -5,-0.3 -1,-0.2 0.917 110.4 46.6 -70.7 -42.1 31.9 -7.4 11.2 80 126 A Y H X S+ 0 0 49 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.926 111.6 50.6 -62.7 -46.9 28.3 -8.7 10.5 81 127 A V H >< S+ 0 0 2 -4,-2.4 3,-1.1 1,-0.2 4,-0.2 0.913 110.1 49.8 -59.4 -42.7 27.0 -5.2 9.9 82 128 A D H >< S+ 0 0 53 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.865 103.5 60.9 -65.5 -34.0 29.9 -4.5 7.4 83 129 A S H 3< S+ 0 0 86 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.615 84.8 79.2 -69.1 -13.2 29.2 -7.8 5.5 84 130 A L T << S- 0 0 48 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.1 0.675 108.9 -3.1 -70.8 -18.0 25.6 -6.7 4.6 85 131 A S < - 0 0 18 -3,-1.2 -1,-0.1 -4,-0.2 -26,-0.0 -0.982 66.7-111.2-166.2 162.4 26.8 -4.5 1.8 86 132 A P S S- 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.897 99.1 -9.3 -67.5 -42.5 29.9 -3.1 -0.0 87 133 A K + 0 0 157 -3,-0.1 -2,-0.1 1,-0.1 5,-0.1 0.296 65.6 130.0-122.1-112.5 29.5 0.5 1.1 88 134 A D > + 0 0 35 1,-0.1 4,-2.2 3,-0.1 5,-0.2 0.902 35.7 166.5 51.0 44.9 26.7 2.3 2.9 89 135 A T H > + 0 0 20 1,-0.2 4,-2.1 2,-0.2 168,-0.2 0.808 67.8 51.1 -63.5 -31.0 29.4 3.6 5.3 90 136 A A H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.910 110.7 48.3 -72.6 -41.7 27.2 6.3 6.9 91 137 A A H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.913 114.1 47.8 -62.7 -40.5 24.4 3.8 7.6 92 138 A K H X S+ 0 0 4 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.886 107.6 55.7 -67.1 -38.5 27.0 1.5 9.1 93 139 A A H X S+ 0 0 0 -4,-2.1 4,-3.2 1,-0.2 166,-0.3 0.878 101.8 58.0 -61.9 -37.3 28.4 4.3 11.2 94 140 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.903 108.1 45.3 -61.0 -41.0 25.0 5.0 12.7 95 141 A V H X S+ 0 0 0 -4,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.926 113.9 50.3 -67.4 -43.6 24.8 1.4 14.0 96 142 A D H X S+ 0 0 2 -4,-2.3 4,-2.4 161,-0.2 5,-0.2 0.929 110.5 48.8 -59.9 -47.0 28.4 1.6 15.3 97 143 A I H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.932 111.8 48.3 -62.1 -45.1 27.8 4.9 17.1 98 144 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.900 111.7 50.8 -61.9 -40.4 24.6 3.6 18.8 99 145 A L H X S+ 0 0 5 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.890 110.6 48.0 -65.4 -40.1 26.4 0.4 19.9 100 146 A H H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.903 111.1 50.9 -67.6 -38.9 29.3 2.3 21.4 101 147 A D H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.947 113.2 46.5 -62.2 -44.9 27.0 4.6 23.2 102 148 A L H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.942 113.8 46.3 -60.9 -51.9 25.1 1.6 24.5 103 149 A V H X S+ 0 0 4 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.894 112.1 51.5 -60.2 -41.5 28.3 -0.3 25.6 104 150 A G H X>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 4,-1.6 0.890 110.6 48.8 -63.5 -38.5 29.7 2.8 27.2 105 151 A K H <5S+ 0 0 65 -4,-2.1 -2,-0.2 225,-0.2 -1,-0.2 0.883 110.1 51.0 -68.1 -37.5 26.5 3.3 29.2 106 152 A L H <5S+ 0 0 55 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.835 115.9 41.9 -68.2 -32.2 26.6 -0.4 30.2 107 153 A L H <5S- 0 0 96 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.688 108.9-127.0 -85.2 -22.0 30.2 0.0 31.4 108 154 A G T <5S+ 0 0 54 -4,-1.6 -3,-0.2 1,-0.3 -4,-0.1 0.837 71.7 100.9 78.9 33.7 29.5 3.4 33.0 109 155 A A S > -e 331 0D 7 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.477 35.2-115.1 -78.4 155.1 32.9 7.5 28.2 111 157 A W H 3> S+ 0 0 21 220,-2.0 4,-2.8 1,-0.2 6,-0.2 0.816 112.3 62.9 -64.3 -29.0 34.9 6.1 25.3 112 158 A Y H 34>S+ 0 0 19 219,-0.3 5,-3.0 1,-0.2 -1,-0.2 0.892 110.2 43.4 -61.7 -32.6 37.8 8.6 25.7 113 159 A K H X45S+ 0 0 138 -3,-0.7 3,-1.1 3,-0.2 -2,-0.2 0.895 111.7 51.5 -77.0 -42.1 38.3 7.0 29.1 114 160 A I H 3<5S+ 0 0 61 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.878 110.5 50.2 -61.8 -37.5 37.8 3.4 27.9 115 161 A W T 3<5S- 0 0 39 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.524 118.5-115.4 -78.5 -6.9 40.4 4.1 25.2 116 162 A G T < 5 + 0 0 64 -3,-1.1 -3,-0.2 1,-0.2 2,-0.2 0.731 62.8 147.8 81.1 25.6 42.8 5.4 27.8 117 163 A L < - 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0 0 0 -2,-0.3 4,-1.6 1,-0.1 3,-0.2 -0.304 53.8 -90.6 -79.8 176.1 17.8 32.7 23.8 622 331 B S H > S+ 0 0 3 29,-0.3 4,-2.1 1,-0.2 32,-0.4 0.605 119.2 75.6 -66.3 -9.5 21.5 32.9 24.6 623 332 B C H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.999 105.1 29.8 -63.7 -65.4 21.3 36.7 24.3 624 333 B A H > S+ 0 0 0 -3,-0.2 4,-2.2 1,-0.2 5,-0.2 0.854 120.4 55.3 -64.1 -34.9 19.5 37.3 27.6 625 334 B I H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.936 110.1 44.6 -64.9 -45.3 21.1 34.3 29.3 626 335 B S H X S+ 0 0 0 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.875 110.4 56.3 -66.2 -36.1 24.6 35.4 28.5 627 336 B A H >< S+ 0 0 0 -4,-2.0 3,-0.8 -5,-0.2 4,-0.3 0.934 110.7 43.0 -60.4 -47.2 23.7 39.0 29.6 628 337 B A H >< S+ 0 0 2 -4,-2.2 3,-1.5 1,-0.2 4,-0.3 0.865 106.6 62.8 -68.0 -34.8 22.6 37.8 33.0 629 338 B S H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.3 -1,-0.2 0.745 83.7 79.6 -62.5 -22.2 25.6 35.5 33.2 630 339 B Q T << S+ 0 0 0 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.765 102.8 33.8 -59.2 -26.4 27.9 38.6 33.1 631 340 B F T X S+ 0 0 0 -3,-1.5 3,-2.0 -4,-0.3 -1,-0.3 0.327 87.0 105.7-110.4 10.5 27.2 39.3 36.8 632 341 B S G X + 0 0 0 -3,-1.4 3,-1.8 1,-0.3 -2,-0.1 0.755 63.2 74.6 -62.0 -23.2 26.9 35.6 37.9 633 342 B P G 3 S+ 0 0 19 0, 0.0 -1,-0.3 0, 0.0 -178,-0.1 0.723 96.9 52.1 -63.5 -13.2 30.3 35.7 39.6 634 343 B A G < S+ 0 0 21 -3,-2.0 2,-0.2 -180,-0.0 -21,-0.2 0.474 95.3 90.1 -98.2 -3.3 28.6 37.7 42.3 635 344 B V < - 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0 0 24 -3,-0.3 -28,-0.1 -6,-0.2 3,-0.0 -0.418 22.1-163.2 -66.7 143.9 18.5 29.6 19.9 650 359 B R + 0 0 43 -2,-0.1 2,-0.3 23,-0.0 -1,-0.1 0.519 64.1 54.2-105.9 -11.4 20.0 32.3 17.7 651 360 B F - 0 0 12 22,-0.2 2,-0.6 20,-0.0 -29,-0.3 -0.879 63.2-141.7-128.3 158.6 23.3 32.9 19.5 652 361 B K B +H 672 0P 26 20,-2.5 20,-1.9 -2,-0.3 3,-0.1 -0.978 51.9 126.8-115.2 112.7 26.3 31.0 20.9 653 362 B G + 0 0 2 -2,-0.6 18,-0.1 1,-0.5 17,-0.1 -0.101 54.0 13.4-133.6-126.1 27.2 32.5 24.2 654 363 B V - 0 0 7 -32,-0.4 -1,-0.5 -2,-0.1 2,-0.3 -0.260 66.8-159.3 -60.0 145.2 27.7 31.2 27.7 655 364 B E E -X 662 0M 31 7,-1.9 7,-2.8 -3,-0.1 2,-0.6 -0.808 19.2-115.8-124.0 164.2 28.1 27.5 28.0 656 365 B V E +X 661 0M 17 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.914 36.6 173.8-104.3 117.3 27.7 24.9 30.8 657 366 B V E > S-X 660 0M 20 3,-2.7 3,-2.4 -2,-0.6 -330,-0.1 -0.989 72.3 -9.5-127.4 124.9 31.0 23.1 31.6 658 367 B N T 3 S- 0 0 113 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.872 130.2 -59.5 55.8 34.9 31.4 20.7 34.5 659 368 B G T 3 S+ 0 0 1 -175,-0.3 -197,-1.7 1,-0.2 2,-0.4 0.455 114.9 123.0 73.5 2.5 27.9 22.0 35.4 660 369 B K E < S-WX 461 657M 53 -3,-2.4 -3,-2.7 -199,-0.2 -199,-0.3 -0.778 71.2-113.9-103.6 138.5 29.3 25.5 35.7 661 370 B I E - X 0 656M 1 -201,-2.6 2,-0.5 -2,-0.4 -5,-0.2 -0.496 39.0-157.1 -62.9 130.4 28.2 28.6 33.8 662 371 B T E - X 0 655M 19 -7,-2.8 -7,-1.9 -2,-0.2 2,-0.3 -0.934 6.3-154.7-125.4 113.7 31.1 29.5 31.6 663 372 B L - 0 0 3 -2,-0.5 2,-0.1 -207,-0.3 7,-0.1 -0.583 9.9-148.2 -82.8 140.3 31.7 32.9 30.3 664 373 B N - 0 0 22 -2,-0.3 -517,-0.1 6,-0.2 -10,-0.1 -0.330 27.4-106.5 -95.2-175.4 33.8 33.4 27.1 665 374 B D S S+ 0 0 94 -519,-0.3 5,-0.1 -2,-0.1 -518,-0.1 0.294 72.9 127.9 -97.4 9.3 36.0 36.4 26.3 666 375 B L - 0 0 16 4,-0.2 -2,-0.1 1,-0.1 6,-0.0 -0.411 62.6-113.1 -66.4 140.5 33.7 38.0 23.7 667 376 B P S > S+ 0 0 35 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.141 80.9 16.7 -68.9 168.2 32.9 41.7 24.4 668 377 B G B 3 S-v 447 0L 0 -222,-2.2 -220,-1.9 1,-0.2 -230,-0.2 -0.530 138.0 -14.3 72.6-130.6 29.6 43.0 25.5 669 378 B I T 3 S- 0 0 0 -2,-0.3 -1,-0.2 -222,-0.2 -40,-0.1 0.447 99.2-109.6 -87.8 -0.0 27.2 40.3 26.7 670 379 B G < + 0 0 0 -3,-1.5 2,-0.3 1,-0.2 -6,-0.2 0.868 69.1 131.0 79.7 40.2 29.4 37.6 25.2 671 380 B V - 0 0 4 -4,-0.4 2,-0.4 -18,-0.1 -18,-0.2 -0.902 42.2-154.5-127.8 156.2 27.5 36.2 22.3 672 381 B M B H 652 0P 20 -20,-1.9 -20,-2.5 -2,-0.3 -528,-0.1 -0.992 360.0 360.0-123.5 129.8 28.1 35.4 18.6 673 382 B K 0 0 107 -2,-0.4 -22,-0.2 -22,-0.2 -23,-0.0 -0.698 360.0 360.0 -77.1 360.0 25.2 35.4 16.2 674 !* 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 0.0 675 384 A A 0 0 1 0, 0.0 -394,-0.2 0, 0.0 -372,-0.1 0.000 360.0 360.0 360.0 168.5 32.6 20.8 8.6 676 385 A X 0 0 7 -396,-2.0 -395,-0.2 -374,-0.1 -397,-0.0 0.374 360.0 360.0 115.3 360.0 33.0 19.5 5.0 677 !* 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 0.0 678 384 B A 0 0 0 0, 0.0 -60,-0.2 0, 0.0 -38,-0.1 0.000 360.0 360.0 360.0 171.0 14.2 28.6 34.2 679 385 B X 0 0 5 -62,-2.1 -61,-0.2 -40,-0.1 -63,-0.0 0.421 360.0 360.0 113.6 360.0 10.9 29.9 35.7