==== 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 TRANSFERASE 25-JUL-05 2AFB . COMPND 2 MOLECULE: 2-KETO-3-DEOXYGLUCONATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 655 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25292.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 451 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 10.4 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 . 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 . 36 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 29.3 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 2 0 0 0 4 0 0 3 3 0 1 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 6 4 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 . 4 0 1 3 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 1 0 1 1 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 -4 A H 0 0 153 0, 0.0 2,-0.3 0, 0.0 321,-0.0 0.000 360.0 360.0 360.0 174.0 66.9 1.8 3.2 2 -3 A H - 0 0 156 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.907 360.0-108.1-118.8 145.5 69.6 0.4 5.7 3 -2 A H - 0 0 88 -2,-0.3 2,-0.5 2,-0.0 49,-0.2 -0.430 33.0-149.7 -56.9 140.6 72.3 1.9 8.0 4 -1 A H - 0 0 56 47,-2.7 2,-2.8 2,-0.1 49,-0.4 -0.947 7.7-146.3-119.4 113.5 75.7 1.2 6.5 5 0 A H + 0 0 142 -2,-0.5 2,-0.5 47,-0.2 47,-0.1 -0.409 48.5 142.9 -77.6 66.3 78.5 0.8 9.1 6 1 A X - 0 0 27 -2,-2.8 47,-2.2 45,-0.1 2,-0.4 -0.972 49.5-130.6-106.3 124.0 81.1 2.3 6.8 7 2 A K E +ab 53 132A 28 124,-0.5 126,-3.3 -2,-0.5 127,-0.9 -0.593 29.5 177.7 -85.1 123.3 83.5 4.5 8.6 8 3 A V E -ab 54 134A 0 45,-3.0 47,-2.9 -2,-0.4 2,-0.4 -0.998 8.5-162.1-125.7 139.0 84.1 7.9 7.2 9 4 A V E +ab 55 135A 0 125,-2.3 127,-2.4 -2,-0.4 2,-0.3 -0.940 8.8 179.3-124.9 135.9 86.3 10.6 8.6 10 5 A T E -ab 56 136A 0 45,-2.0 47,-3.2 -2,-0.4 2,-0.4 -0.934 9.9-157.9-131.3 158.8 86.5 14.4 8.0 11 6 A F E +a 57 0A 0 125,-1.3 127,-0.4 -2,-0.3 2,-0.3 -0.997 36.5 75.0-143.3 133.1 88.7 17.0 9.6 12 7 A G S S- 0 0 0 45,-1.8 2,-0.4 -2,-0.4 47,-0.3 -0.970 70.4 -35.5 166.9-149.7 88.6 20.7 10.1 13 8 A E - 0 0 4 -2,-0.3 2,-0.4 45,-0.1 28,-0.4 -0.898 33.5-163.0-109.0 133.0 87.0 23.5 12.1 14 9 A I - 0 0 2 -2,-0.4 77,-0.5 45,-0.3 2,-0.3 -0.925 18.9-168.1-109.2 134.8 83.5 23.8 13.5 15 10 A X E -J 37 0B 10 22,-3.0 22,-2.5 -2,-0.4 2,-0.4 -0.887 28.8-107.3-121.1 153.1 82.4 27.3 14.5 16 11 A L E -Jk 36 92B 0 75,-2.6 77,-2.6 -2,-0.3 2,-0.5 -0.684 37.9-150.0 -68.8 126.8 79.6 28.9 16.4 17 12 A R E -Jk 35 93B 9 18,-3.3 18,-1.4 -2,-0.4 2,-0.5 -0.907 12.4-170.7-108.9 128.9 77.4 30.6 13.9 18 13 A L E +Jk 34 94B 0 75,-2.6 77,-2.6 -2,-0.5 16,-0.2 -0.965 12.3 169.4-121.1 113.3 75.5 33.8 14.9 19 14 A S E -J 33 0B 4 14,-2.2 14,-3.2 -2,-0.5 77,-0.2 -0.993 32.5-123.4-128.9 133.8 72.8 35.1 12.5 20 15 A P - 0 0 4 0, 0.0 3,-0.4 0, 0.0 77,-0.3 -0.449 37.2-111.3 -68.1 154.0 70.2 37.7 13.0 21 16 A P S > S+ 0 0 21 0, 0.0 3,-1.8 0, 0.0 10,-0.1 -0.438 85.9 14.9 -77.8 152.1 66.6 36.6 12.3 22 17 A D T 3 S- 0 0 148 1,-0.3 3,-0.1 -2,-0.1 0, 0.0 0.751 127.9 -58.5 64.5 35.8 64.4 37.7 9.5 23 18 A H T 3 S+ 0 0 95 -3,-0.4 -1,-0.3 1,-0.2 76,-0.1 0.608 92.0 154.8 65.4 16.0 67.0 39.3 7.2 24 19 A K < - 0 0 68 -3,-1.8 73,-0.3 1,-0.1 -1,-0.2 -0.326 41.5-123.7 -64.0 145.8 68.0 41.7 10.0 25 20 A R >> - 0 0 99 71,-0.1 3,-1.0 -3,-0.1 4,-0.7 -0.587 24.4-109.0 -86.9 158.0 71.5 43.2 9.9 26 21 A I G >4 S+ 0 0 1 1,-0.3 3,-1.1 -2,-0.2 -1,-0.1 0.910 115.6 59.7 -52.6 -43.9 73.8 42.8 12.8 27 22 A F G 34 S+ 0 0 112 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.743 110.6 40.0 -57.4 -32.4 73.5 46.5 13.6 28 23 A Q G <4 S+ 0 0 111 -3,-1.0 2,-0.3 2,-0.0 -1,-0.3 0.534 91.1 107.8 -98.4 -5.9 69.8 46.3 14.2 29 24 A T << - 0 0 11 -3,-1.1 3,-0.1 -4,-0.7 -3,-0.0 -0.566 44.4-168.5 -95.0 138.7 69.3 43.0 16.0 30 25 A D S S+ 0 0 113 -2,-0.3 331,-2.8 1,-0.1 2,-0.3 0.366 81.5 25.2 -87.3 -5.1 68.4 42.3 19.6 31 26 A S E - L 0 360B 18 329,-0.3 2,-0.4 -10,-0.1 329,-0.2 -0.990 62.0-140.6-154.1 166.7 69.3 38.6 19.1 32 27 A F E - L 0 359B 0 327,-2.3 327,-2.5 -2,-0.3 2,-0.2 -1.000 22.5-129.1-128.4 129.8 71.2 36.0 17.1 33 28 A D E -JL 19 358B 68 -14,-3.2 -14,-2.2 -2,-0.4 2,-0.4 -0.561 33.7-139.1 -65.0 139.9 70.0 32.6 16.0 34 29 A V E +J 18 0B 15 323,-2.4 2,-0.3 -2,-0.2 -16,-0.2 -0.901 36.5 139.3-115.4 133.0 72.6 30.0 17.1 35 30 A T E -J 17 0B 22 -18,-1.4 -18,-3.3 -2,-0.4 2,-0.4 -0.934 38.1-123.7-155.5 178.1 73.9 27.0 15.3 36 31 A Y E +J 16 0B 10 -2,-0.3 2,-0.3 -20,-0.2 279,-0.3 -0.995 40.7 132.1-130.4 133.3 77.2 25.3 14.7 37 32 A G E +J 15 0B 0 -22,-2.5 -22,-3.0 -2,-0.4 2,-0.2 -0.990 20.5 172.5-165.4-174.5 79.0 24.5 11.4 38 33 A G > - 0 0 4 -2,-0.3 4,-3.0 -24,-0.2 5,-0.3 -0.809 50.6 -89.4 165.5 151.4 82.0 24.4 9.1 39 34 A A H > S+ 0 0 12 1,-0.2 4,-1.5 -2,-0.2 -1,-0.1 0.871 124.3 33.4 -48.3 -58.2 82.8 22.9 5.7 40 35 A E H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.844 117.3 55.3 -73.6 -28.7 84.1 19.5 6.8 41 36 A A H > S+ 0 0 0 -28,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.914 106.0 52.6 -65.2 -40.4 81.7 19.3 9.8 42 37 A N H X S+ 0 0 6 -4,-3.0 4,-1.9 1,-0.2 275,-0.3 0.871 107.7 51.6 -64.1 -36.0 78.8 19.8 7.4 43 38 A V H X S+ 0 0 0 -4,-1.5 4,-2.6 -5,-0.3 -1,-0.2 0.934 109.1 49.9 -65.2 -46.4 80.1 16.9 5.2 44 39 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.908 109.1 52.2 -59.1 -39.7 80.2 14.6 8.2 45 40 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.876 108.7 50.9 -69.3 -35.1 76.7 15.7 9.1 46 41 A F H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.963 111.0 47.2 -61.5 -54.4 75.5 14.8 5.6 47 42 A L H <>S+ 0 0 0 -4,-2.6 5,-1.9 1,-0.2 4,-0.3 0.890 112.7 49.7 -58.5 -38.8 77.1 11.4 5.7 48 43 A A H ><5S+ 0 0 13 -4,-2.6 3,-1.7 -5,-0.2 -1,-0.2 0.925 107.4 54.6 -64.1 -41.2 75.6 10.8 9.2 49 44 A Q H 3<5S+ 0 0 60 -4,-2.2 272,-0.2 1,-0.3 -2,-0.2 0.826 105.6 54.1 -62.2 -31.7 72.1 11.9 7.9 50 45 A X T 3<5S- 0 0 4 -4,-2.1 -1,-0.3 270,-0.1 -2,-0.2 0.525 125.2-102.7 -78.2 -9.8 72.5 9.2 5.1 51 46 A G T < 5S+ 0 0 16 -3,-1.7 -47,-2.7 -4,-0.3 -3,-0.2 0.734 77.7 125.9 100.0 20.7 73.2 6.5 7.7 52 47 A L S S- 0 0 30 -2,-1.7 4,-2.3 371,-0.0 5,-0.2 -0.911 91.7 -89.2-147.8 170.6 83.6 25.4 27.7 64 59 A P H > S+ 0 0 14 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.760 124.2 56.1 -57.3 -28.3 79.9 25.3 27.1 65 60 A L H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.933 109.4 45.7 -71.1 -42.8 80.3 26.4 23.5 66 61 A G H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.901 113.2 50.7 -59.8 -42.8 82.6 23.5 22.7 67 62 A D H X S+ 0 0 66 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.916 111.3 48.7 -58.6 -44.2 80.1 21.2 24.6 68 63 A A H X S+ 0 0 6 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.916 109.6 51.2 -65.4 -44.2 77.2 22.6 22.5 69 64 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.930 112.8 46.5 -58.7 -44.3 79.1 22.2 19.1 70 65 A A H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.866 112.4 49.3 -64.8 -40.0 79.8 18.6 20.0 71 66 A G H X S+ 0 0 17 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.881 108.7 53.7 -72.8 -30.8 76.3 18.0 21.1 72 67 A H H X S+ 0 0 31 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.909 109.0 49.3 -65.3 -42.5 75.0 19.5 17.8 73 68 A L H <>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 3,-0.3 0.925 112.3 47.6 -60.4 -47.7 77.2 17.1 15.9 74 69 A R H ><5S+ 0 0 124 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.884 103.4 61.0 -63.0 -38.9 75.9 14.1 17.9 75 70 A K H 3<5S+ 0 0 169 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.893 105.9 48.3 -54.8 -41.3 72.3 15.2 17.5 76 71 A F T 3<5S- 0 0 25 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.411 127.8-100.6 -81.2 1.7 72.7 14.8 13.7 77 72 A G T < 5S+ 0 0 36 -3,-1.9 -23,-0.3 1,-0.3 2,-0.2 0.447 73.9 143.8 98.9 1.2 74.4 11.4 14.2 78 73 A V < - 0 0 3 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.3 -0.557 50.1-126.3 -77.1 135.5 78.0 12.4 13.8 79 74 A K B -c 55 0A 70 -25,-3.1 -23,-1.6 -2,-0.2 3,-0.3 -0.701 18.8-166.9 -84.6 135.0 80.4 10.5 16.1 80 75 A T > + 0 0 24 -2,-0.3 3,-1.9 1,-0.2 -1,-0.1 0.179 49.9 117.9-112.2 16.1 82.6 12.8 18.3 81 76 A D T 3 S+ 0 0 112 1,-0.3 -1,-0.2 -24,-0.0 -24,-0.1 0.762 77.5 46.2 -56.6 -34.9 85.1 10.2 19.5 82 77 A Y T 3 S+ 0 0 47 -26,-0.3 2,-0.8 -3,-0.3 -24,-0.6 0.155 77.8 122.1-102.4 17.6 88.0 11.9 17.9 83 78 A I E < -q 58 0C 19 -3,-1.9 -24,-0.2 -26,-0.2 2,-0.2 -0.723 55.3-144.7 -78.9 116.3 87.3 15.4 19.0 84 79 A A E -q 59 0C 19 -26,-2.8 -24,-2.1 -2,-0.8 2,-0.4 -0.536 12.0-144.4 -73.0 145.4 90.3 16.7 20.9 85 80 A R E +q 60 0C 86 -26,-0.2 2,-0.3 -2,-0.2 -26,-0.0 -0.955 48.0 74.6-118.7 135.3 89.5 19.0 23.8 86 81 A G + 0 0 17 -26,-2.1 3,-0.1 -2,-0.4 28,-0.1 -0.939 41.4 86.2 153.4-177.8 91.6 22.0 24.9 87 82 A G S S- 0 0 40 -2,-0.3 -25,-0.4 1,-0.1 27,-0.1 -0.139 75.4 -77.7 77.3-172.1 92.6 25.5 24.0 88 83 A N S S+ 0 0 126 24,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.729 89.2 3.2-104.2 -32.6 91.0 28.8 24.8 89 84 A R - 0 0 16 23,-0.3 25,-2.5 -3,-0.1 2,-0.3 -0.977 58.9-113.8-153.0 159.8 88.0 29.5 22.6 90 85 A I - 0 0 4 -2,-0.3 2,-0.1 23,-0.2 -75,-0.1 -0.742 42.5-109.9 -88.7 143.6 85.7 28.3 19.9 91 86 A G - 0 0 0 -77,-0.5 -75,-2.6 -2,-0.3 2,-0.3 -0.454 37.4-160.6 -70.7 152.8 85.8 30.1 16.6 92 87 A I E -kM 16 109B 0 17,-1.8 17,-3.0 -77,-0.2 2,-0.4 -0.983 14.5-168.5-134.3 146.6 82.8 32.2 15.6 93 88 A Y E -kM 17 108B 12 -77,-2.6 -75,-2.6 -2,-0.3 2,-0.5 -0.998 12.6-148.0-135.4 144.1 81.2 33.7 12.6 94 89 A F E -kM 18 107B 1 13,-2.5 13,-2.3 -2,-0.4 2,-0.5 -0.882 18.9-164.3-100.7 133.1 78.4 36.2 12.3 95 90 A L E - M 0 106B 4 -77,-2.6 2,-0.6 -2,-0.5 11,-0.2 -0.977 14.4-163.8-126.8 124.8 76.2 35.8 9.3 96 91 A E E - M 0 105B 2 9,-3.2 9,-2.3 -2,-0.5 2,-0.6 -0.935 23.5-139.4 -99.3 118.8 73.8 38.3 7.8 97 92 A I - 0 0 34 -2,-0.6 7,-0.1 -77,-0.3 5,-0.0 -0.700 24.5-145.4 -83.8 120.4 71.5 36.4 5.4 98 93 A G - 0 0 3 -2,-0.6 2,-0.3 148,-0.1 6,-0.2 -0.058 10.0-152.3 -82.3-178.1 71.0 38.6 2.4 99 94 A A B > -R 102 0D 30 3,-1.5 3,-2.9 4,-0.1 148,-0.0 -0.969 53.8 -35.1-157.7 138.0 68.1 39.2 0.1 100 95 A S T 3 S- 0 0 52 -2,-0.3 146,-2.6 1,-0.3 147,-0.1 -0.179 132.0 -1.9 50.9-126.1 67.7 40.2 -3.5 101 96 A Q T 3 S+ 0 0 169 144,-0.2 -1,-0.3 145,-0.1 -3,-0.0 0.548 118.2 87.1 -73.8 -8.2 70.5 42.7 -4.4 102 97 A R B < S-R 99 0D 73 -3,-2.9 -3,-1.5 -5,-0.0 3,-0.1 -0.832 76.0-143.6 -91.5 107.9 71.9 42.7 -0.8 103 98 A P - 0 0 92 0, 0.0 -4,-0.1 0, 0.0 -2,-0.1 -0.216 23.6 -94.5 -68.3 161.2 74.4 39.9 -0.5 104 99 A S - 0 0 55 -6,-0.2 2,-0.4 -7,-0.1 -7,-0.2 -0.384 44.4-150.9 -62.4 148.4 74.9 37.7 2.6 105 100 A K E -M 96 0B 90 -9,-2.3 -9,-3.2 -3,-0.1 2,-0.5 -0.994 9.0-160.4-133.9 134.9 77.7 39.1 4.7 106 101 A V E -M 95 0B 54 -2,-0.4 2,-0.5 -11,-0.2 -11,-0.2 -0.975 6.2-167.8-115.3 129.6 80.0 37.2 7.0 107 102 A V E -M 94 0B 18 -13,-2.3 -13,-2.5 -2,-0.5 2,-0.3 -0.964 22.5-148.8-106.5 112.7 82.0 38.7 9.8 108 103 A Y E +M 93 0B 104 -2,-0.5 -15,-0.2 -15,-0.2 3,-0.1 -0.594 28.4 169.8 -83.2 145.0 84.6 36.1 10.9 109 104 A D E +M 92 0B 12 -17,-3.0 -17,-1.8 -2,-0.3 -1,-0.1 -0.525 41.1 118.5-144.4 60.2 85.9 35.8 14.5 110 105 A R > + 0 0 32 -19,-0.3 3,-1.4 3,-0.1 6,-0.2 0.530 34.2 121.5-108.7 -11.7 87.8 32.5 14.2 111 106 A A T 3 S+ 0 0 58 1,-0.2 34,-0.1 -19,-0.1 -19,-0.1 -0.184 77.8 15.0 -62.8 142.5 91.3 33.6 15.0 112 107 A H T 3 S+ 0 0 76 1,-0.2 -24,-0.3 2,-0.0 -23,-0.3 0.647 87.9 157.8 70.2 18.2 93.1 31.9 18.0 113 108 A S <> - 0 0 1 -3,-1.4 4,-1.6 -25,-0.1 -23,-0.2 -0.275 57.9-105.4 -64.8 158.4 90.5 29.1 18.1 114 109 A A T 4 S+ 0 0 2 -25,-2.5 -54,-0.2 1,-0.2 3,-0.1 0.868 122.3 47.2 -56.8 -40.8 91.4 25.9 19.8 115 110 A I T >4 S+ 0 0 3 -56,-0.5 3,-1.8 1,-0.2 -1,-0.2 0.905 106.0 58.4 -69.4 -38.0 91.7 24.1 16.4 116 111 A S T 34 S+ 0 0 12 1,-0.3 31,-0.4 -6,-0.2 30,-0.3 0.847 112.9 40.5 -58.9 -32.9 93.8 27.0 14.9 117 112 A E T 3< S+ 0 0 91 -4,-1.6 -1,-0.3 28,-0.1 -2,-0.2 0.167 89.0 136.2-100.5 10.3 96.3 26.4 17.7 118 113 A A < - 0 0 1 -3,-1.8 29,-0.4 -5,-0.2 2,-0.3 -0.273 45.3-138.1 -63.9 149.3 96.1 22.6 17.6 119 114 A K > - 0 0 84 1,-0.1 3,-1.9 27,-0.1 4,-0.3 -0.729 21.8-112.9-106.5 155.8 99.3 20.6 17.8 120 115 A R G > S+ 0 0 110 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.868 115.9 59.8 -57.5 -33.7 100.3 17.5 15.8 121 116 A E G 3 S+ 0 0 100 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.591 84.1 80.4 -74.0 -10.0 100.2 15.4 18.9 122 117 A D G < S+ 0 0 55 -3,-1.9 2,-0.4 1,-0.1 -1,-0.3 0.677 92.6 55.2 -67.1 -15.9 96.5 16.2 19.5 123 118 A F < - 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0 0 25 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.0 -0.427 36.3-110.1 -61.0 140.6 74.4 65.6 48.0 622 295 B D > - 0 0 106 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.229 36.8-101.9 -64.9 158.7 75.1 65.1 51.7 623 296 B S H > S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.905 121.5 47.1 -58.7 -41.3 76.8 61.8 52.5 624 297 B Q H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.908 112.9 47.8 -69.7 -38.7 73.7 60.1 53.8 625 298 B K H > S+ 0 0 92 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.899 109.3 57.1 -63.5 -35.4 71.6 61.2 50.8 626 299 B K H X S+ 0 0 15 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.909 109.0 44.4 -62.5 -44.9 74.5 60.0 48.6 627 300 B A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.897 115.3 46.8 -64.8 -44.3 74.3 56.5 50.1 628 301 B E H X S+ 0 0 47 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.923 114.2 47.5 -66.9 -44.6 70.5 56.3 49.9 629 302 B F H X S+ 0 0 4 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.913 114.8 45.6 -61.2 -46.2 70.5 57.6 46.3 630 303 B A H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.844 113.6 49.5 -69.1 -35.8 73.2 55.2 45.2 631 304 B A H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.915 112.9 47.0 -63.8 -45.8 71.6 52.2 47.0 632 305 B A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.933 113.2 48.6 -65.1 -45.1 68.3 53.0 45.4 633 306 B A H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.927 115.3 43.3 -60.1 -49.3 69.8 53.4 41.9 634 307 B S H X S+ 0 0 0 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.857 111.0 54.8 -71.2 -33.4 71.8 50.2 42.1 635 308 B C H >< S+ 0 0 13 -4,-2.8 3,-0.9 1,-0.2 4,-0.4 0.965 108.5 50.9 -56.0 -49.8 68.8 48.3 43.6 636 309 B L H >< S+ 0 0 34 -4,-2.7 3,-2.1 1,-0.3 4,-0.3 0.864 99.5 62.9 -58.6 -38.7 66.8 49.4 40.6 637 310 B K H >< S+ 0 0 0 -4,-1.7 3,-2.0 1,-0.3 -1,-0.3 0.873 92.0 65.8 -54.8 -37.2 69.4 48.2 38.1 638 311 B H T << S+ 0 0 0 -4,-1.1 -38,-2.8 -3,-0.9 -37,-2.5 0.689 100.2 53.1 -56.0 -21.3 68.8 44.6 39.4 639 312 B T T < S+ 0 0 63 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.2 0.452 95.3 81.3 -92.1 -3.7 65.3 44.9 37.9 640 313 B I S < S- 0 0 25 -3,-2.0 -40,-0.0 -39,-0.4 -39,-0.0 -0.909 80.2-123.3-116.9 118.4 66.4 46.0 34.4 641 314 B P S S+ 0 0 97 0, 0.0 3,-0.2 0, 0.0 2,-0.1 -0.263 75.1 19.9 -56.6 141.5 67.5 43.5 31.7 642 315 B G S S- 0 0 10 1,-0.1 -2,-0.1 -280,-0.1 -278,-0.1 -0.436 99.2 -67.2 92.9-166.8 71.0 44.1 30.3 643 316 B D S S+ 0 0 3 -280,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.666 104.0 69.4-100.5 -24.2 74.1 46.1 31.5 644 317 B F S S- 0 0 5 -3,-0.2 2,-0.1 -281,-0.1 -274,-0.1 -0.770 78.7-120.0 -99.5 142.0 72.9 49.7 31.4 645 318 B V - 0 0 3 -2,-0.3 2,-0.4 -276,-0.3 -269,-0.1 -0.468 10.8-157.7 -67.6 149.8 70.2 51.4 33.6 646 319 B V + 0 0 83 -2,-0.1 2,-0.3 2,-0.1 -273,-0.1 -0.930 48.3 132.3-123.5 99.1 67.1 52.8 32.0 647 320 B L - 0 0 13 -2,-0.4 2,-0.3 -274,-0.1 -2,-0.0 -0.989 47.7-144.3-153.2 149.5 66.2 55.3 34.8 648 321 B S > - 0 0 45 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.801 32.2-116.6-109.5 157.1 65.3 58.8 35.6 649 322 B I H > S+ 0 0 52 -2,-0.3 4,-2.6 -273,-0.2 5,-0.2 0.900 117.2 56.3 -56.4 -44.8 66.3 60.9 38.6 650 323 B E H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.939 105.7 51.1 -56.6 -46.7 62.6 61.0 39.7 651 324 B E H > S+ 0 0 108 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.920 112.1 46.0 -55.3 -46.6 62.4 57.2 39.7 652 325 B I H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.919 113.0 49.5 -63.6 -44.2 65.6 56.8 41.9 653 326 B E H X S+ 0 0 80 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.802 104.4 59.8 -67.4 -29.2 64.4 59.4 44.3 654 327 B K H < S+ 0 0 161 -4,-2.0 4,-0.3 -5,-0.2 -1,-0.2 0.900 110.4 40.9 -64.5 -46.8 61.0 57.8 44.6 655 328 B L H >< S+ 0 0 56 -4,-1.5 3,-2.0 2,-0.2 -2,-0.2 0.934 113.1 54.3 -63.9 -49.7 62.5 54.6 45.9 656 329 B A H 3< S+ 0 0 24 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.863 98.9 63.4 -57.9 -36.0 65.0 56.4 48.1 657 330 B S T 3< 0 0 98 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.605 360.0 360.0 -67.1 -10.7 62.3 58.3 49.8 658 331 B G < 0 0 89 -3,-2.0 -65,-0.1 -4,-0.3 -3,-0.1 -0.112 360.0 360.0 -91.4 360.0 60.7 55.0 51.3