==== 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 22-FEB-07 2OYK . COMPND 2 MOLECULE: ENDOGLYCOCERAMIDASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS SP.; . AUTHOR M.E.C.CAINES,N.C.J.STRYNADKA . 879 5 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33342.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 580 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 56 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 212 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.2 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 4 1 1 0 0 0 2 2 0 2 1 1 2 2 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 6 4 0 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 PARALLEL BRIDGES PER LADDER . 9 2 2 4 4 0 2 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 2 0 2 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 43 A P 0 0 106 0, 0.0 2,-0.3 0, 0.0 321,-0.1 0.000 360.0 360.0 360.0 155.7 -1.1 61.2 -24.7 2 44 A S - 0 0 50 289,-0.4 291,-0.5 319,-0.2 2,-0.3 -0.763 360.0-154.2-105.2 152.8 -0.6 58.7 -21.8 3 45 A Y - 0 0 20 -2,-0.3 2,-0.1 289,-0.2 10,-0.1 -0.921 20.3-114.6-128.1 148.0 1.6 59.3 -18.7 4 46 A L - 0 0 6 8,-0.4 8,-2.7 -2,-0.3 2,-0.3 -0.500 41.3-144.0 -65.6 150.3 3.6 57.3 -16.1 5 47 A K B -A 11 0A 72 6,-0.2 6,-0.2 -2,-0.1 2,-0.1 -0.912 3.7-132.9-121.6 150.0 2.0 57.8 -12.7 6 48 A D > - 0 0 17 4,-1.8 3,-2.0 -2,-0.3 6,-0.0 -0.287 47.0 -86.4 -83.9-178.9 3.3 58.1 -9.2 7 49 A D T 3 S+ 0 0 133 1,-0.3 -1,-0.0 166,-0.2 -2,-0.0 0.671 129.7 58.3 -67.0 -17.3 1.9 56.2 -6.2 8 50 A D T 3 S- 0 0 84 2,-0.1 377,-0.4 375,-0.0 376,-0.3 0.389 119.7-109.4 -88.1 -0.2 -0.7 58.9 -5.7 9 51 A G < + 0 0 23 -3,-2.0 352,-0.2 1,-0.3 2,-0.2 0.507 68.9 147.5 85.2 6.0 -2.0 58.5 -9.2 10 52 A R - 0 0 28 350,-0.1 -4,-1.8 1,-0.1 2,-0.4 -0.506 52.7-114.7 -77.7 142.8 -0.6 61.8 -10.5 11 53 A S E -AB 5 359A 2 348,-2.3 348,-2.8 350,-0.6 2,-0.4 -0.641 32.8-134.9 -80.5 128.2 0.6 62.1 -14.1 12 54 A L E - B 0 358A 12 -8,-2.7 2,-0.7 -2,-0.4 -8,-0.4 -0.727 16.5-165.1 -95.1 127.7 4.4 62.7 -14.3 13 55 A I - 0 0 4 344,-2.1 2,-0.5 -2,-0.4 311,-0.1 -0.953 25.2-154.5-106.3 110.4 6.0 65.2 -16.5 14 56 A L + 0 0 4 -2,-0.7 311,-2.1 33,-0.1 2,-0.4 -0.788 20.8 170.6-102.2 126.5 9.7 64.0 -16.4 15 57 A R E +f 325 0B 24 -2,-0.5 33,-2.4 309,-0.2 34,-1.3 -0.975 28.0 89.6-138.1 118.3 12.6 66.4 -17.1 16 58 A G E -fg 326 49B 2 309,-2.1 311,-2.6 -2,-0.4 2,-0.3 -0.876 56.3 -74.7-172.8-153.9 16.2 65.6 -16.5 17 59 A F E -fg 327 50B 0 32,-0.8 34,-2.3 309,-0.3 2,-0.5 -0.828 33.2-106.2-126.8 159.8 19.5 64.2 -17.8 18 60 A N E - g 0 51B 0 309,-2.7 312,-2.8 -2,-0.3 311,-0.4 -0.823 43.0-138.0 -77.1 126.2 21.3 61.1 -18.7 19 61 A T E - g 0 52B 0 32,-2.4 34,-1.6 -2,-0.5 14,-0.1 -0.955 59.3 -5.4-135.5 111.5 23.9 60.5 -15.9 20 62 A A > + 0 0 2 -2,-0.4 3,-1.8 32,-0.2 4,-0.3 0.650 21.7 174.8-152.6 160.7 26.4 59.7 -17.0 21 63 A S G > S+ 0 0 35 1,-0.3 3,-1.9 -3,-0.3 4,-0.4 0.818 96.3 71.6 -59.6 -29.9 28.6 58.6 -19.9 22 64 A S G 3> S+ 0 0 19 1,-0.3 4,-0.5 2,-0.2 3,-0.5 0.710 86.1 66.2 -60.1 -21.6 31.5 58.6 -17.4 23 65 A A G <4 S+ 0 0 5 -3,-1.8 3,-0.4 1,-0.2 -1,-0.3 0.745 83.5 76.1 -67.5 -25.6 30.0 55.5 -15.8 24 66 A K T <4 S+ 0 0 46 -3,-1.9 85,-0.3 -4,-0.3 -1,-0.2 0.849 108.2 25.6 -57.2 -40.2 30.7 53.4 -19.0 25 67 A S T 4 S+ 0 0 99 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.2 0.408 90.1 119.3-105.5 -4.7 34.5 53.1 -18.3 26 68 A A >< - 0 0 14 -4,-0.5 3,-2.1 -3,-0.4 -3,-0.0 -0.495 62.3-139.1 -68.7 123.9 34.5 53.4 -14.5 27 69 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.873 105.9 44.9 -49.2 -39.6 35.9 50.2 -13.0 28 70 A D T 3 S- 0 0 69 2,-0.2 45,-0.1 1,-0.0 -2,-0.1 0.372 113.6-119.2 -87.8 3.1 33.3 50.4 -10.2 29 71 A G S < S+ 0 0 1 -3,-2.1 -6,-0.1 1,-0.2 29,-0.1 0.454 71.8 125.7 79.7 2.0 30.5 51.2 -12.7 30 72 A M - 0 0 5 -8,-0.1 -1,-0.2 1,-0.1 -2,-0.2 -0.678 60.3-115.9 -97.6 146.2 29.6 54.5 -11.2 31 73 A P - 0 0 7 0, 0.0 2,-1.8 0, 0.0 -1,-0.1 -0.374 30.4-107.5 -72.6 156.8 29.5 57.9 -12.9 32 74 A Q S S+ 0 0 158 -2,-0.1 2,-0.3 2,-0.0 -10,-0.1 -0.647 83.8 117.0 -79.1 80.1 31.9 60.8 -12.1 33 75 A F - 0 0 20 -2,-1.8 2,-0.2 -14,-0.1 298,-0.0 -0.952 47.3-160.6-158.4 123.5 29.0 62.5 -10.4 34 76 A T > - 0 0 68 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.562 36.2-105.5-107.6 170.5 28.6 63.5 -6.8 35 77 A E H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.869 123.5 55.3 -62.7 -35.9 25.8 64.4 -4.5 36 78 A A H > S+ 0 0 71 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.851 104.0 54.0 -64.2 -35.5 27.0 68.0 -4.6 37 79 A D H > S+ 0 0 42 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.901 109.0 48.4 -63.9 -41.7 26.8 67.8 -8.5 38 80 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.905 108.3 54.1 -64.4 -41.5 23.1 66.7 -8.1 39 81 A A H X S+ 0 0 43 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.894 110.0 48.0 -58.7 -40.0 22.5 69.6 -5.7 40 82 A R H X S+ 0 0 88 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.925 110.4 50.6 -65.6 -47.4 23.8 72.0 -8.3 41 83 A E H X>S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 5,-0.5 0.927 113.9 45.0 -55.3 -47.8 21.7 70.5 -11.1 42 84 A Y H X5S+ 0 0 30 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.909 113.5 49.3 -66.7 -42.7 18.6 70.8 -8.9 43 85 A A H <5S+ 0 0 73 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.859 118.9 38.8 -63.0 -36.5 19.4 74.3 -7.8 44 86 A D H <5S+ 0 0 39 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.768 136.3 10.6 -87.3 -30.5 20.1 75.5 -11.3 45 87 A M H <5S- 0 0 3 -4,-2.3 308,-0.3 -5,-0.2 -3,-0.2 0.500 81.9-131.7-132.7 -9.1 17.4 73.7 -13.3 46 88 A G << + 0 0 0 -4,-1.9 -4,-0.2 -5,-0.5 -3,-0.1 0.796 39.6 179.7 60.2 32.9 14.8 72.0 -11.0 47 89 A T - 0 0 7 -6,-0.4 -31,-0.2 1,-0.1 -1,-0.1 -0.196 22.4-171.9 -65.2 156.4 15.0 68.7 -12.7 48 90 A N + 0 0 5 -33,-2.4 39,-2.4 38,-0.1 2,-0.3 0.221 61.1 57.4-133.6 11.4 12.8 65.7 -11.5 49 91 A F E -gh 16 87B 2 -34,-1.3 -32,-0.8 37,-0.2 2,-0.3 -0.969 51.1-172.0-144.8 151.9 14.1 62.8 -13.6 50 92 A V E -gh 17 88B 1 37,-1.3 39,-2.8 -2,-0.3 2,-0.8 -0.978 20.6-149.0-144.5 138.3 17.3 60.9 -14.4 51 93 A R E -gh 18 89B 0 -34,-2.3 -32,-2.4 -2,-0.3 2,-0.6 -0.946 33.0-159.6 -96.2 103.5 18.1 58.2 -16.9 52 94 A F E -gh 19 90B 1 37,-2.6 39,-2.7 -2,-0.8 2,-0.4 -0.810 10.4-129.4 -96.7 120.9 20.8 56.6 -14.8 53 95 A L E + h 0 91B 3 -34,-1.6 2,-0.2 -2,-0.6 39,-0.2 -0.540 32.8 167.9 -76.5 123.3 23.3 54.4 -16.7 54 96 A I E - h 0 92B 4 37,-3.0 39,-2.3 -2,-0.4 2,-0.4 -0.718 20.9-138.1-116.7 176.2 23.9 50.9 -15.4 55 97 A S >> - 0 0 8 -2,-0.2 4,-2.0 37,-0.2 3,-0.6 -0.998 18.1-138.1-145.1 141.9 25.8 48.1 -17.1 56 98 A W H 3> S+ 0 0 7 37,-0.4 4,-3.1 -2,-0.4 54,-0.2 0.885 107.2 59.5 -60.2 -40.9 25.4 44.4 -17.7 57 99 A R H 34 S+ 0 0 55 52,-2.6 -1,-0.2 1,-0.2 53,-0.1 0.803 109.7 43.2 -59.2 -31.3 29.2 43.9 -17.1 58 100 A S H <4 S+ 0 0 9 -3,-0.6 9,-0.3 51,-0.2 -1,-0.2 0.822 116.5 46.4 -83.4 -34.8 28.8 45.4 -13.6 59 101 A V H < S+ 0 0 0 -4,-2.0 8,-2.1 1,-0.2 -2,-0.2 0.912 128.3 22.8 -69.9 -45.4 25.6 43.5 -12.8 60 102 A E < + 0 0 0 -4,-3.1 -1,-0.2 6,-0.2 6,-0.2 -0.683 64.8 165.5-128.7 73.8 26.8 40.1 -14.0 61 103 A P S S+ 0 0 64 0, 0.0 52,-0.2 0, 0.0 -1,-0.1 0.719 76.9 25.3 -66.7 -22.1 30.6 40.0 -13.9 62 104 A A B > S-N 65 0C 37 3,-0.9 3,-2.6 -3,-0.1 5,-0.0 -0.976 109.3 -76.5-135.6 154.3 30.6 36.2 -14.3 63 105 A P T 3 S- 0 0 73 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.240 116.8 -5.3 -52.8 120.9 28.0 33.9 -15.8 64 106 A G T 3 S+ 0 0 46 1,-0.2 2,-0.6 -4,-0.1 -4,-0.0 0.488 107.5 114.0 74.0 5.2 25.1 33.6 -13.2 65 107 A V B < -N 62 0C 83 -3,-2.6 -3,-0.9 2,-0.0 2,-0.4 -0.944 50.3-161.0-112.5 116.4 27.0 35.6 -10.6 66 108 A Y - 0 0 62 -2,-0.6 2,-1.1 -6,-0.2 -6,-0.2 -0.825 17.3-130.1-102.5 136.5 25.4 39.0 -9.7 67 109 A D > - 0 0 48 -8,-2.1 4,-1.7 -2,-0.4 3,-0.2 -0.721 23.6-179.8 -89.9 100.0 27.4 41.7 -8.0 68 110 A Q H > S+ 0 0 90 -2,-1.1 4,-1.7 1,-0.2 -1,-0.2 0.725 81.5 60.0 -72.2 -21.8 25.4 42.9 -5.0 69 111 A Q H > S+ 0 0 136 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.855 104.3 49.9 -73.0 -35.7 28.1 45.4 -4.0 70 112 A Y H > S+ 0 0 0 -12,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.941 110.3 50.1 -63.0 -46.3 27.7 47.1 -7.4 71 113 A L H X S+ 0 0 1 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.846 105.7 57.0 -62.7 -33.7 23.9 47.1 -6.8 72 114 A D H X S+ 0 0 80 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.908 107.5 48.8 -57.8 -43.3 24.6 48.7 -3.3 73 115 A R H X S+ 0 0 60 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.917 110.9 48.5 -66.5 -43.6 26.5 51.5 -5.1 74 116 A V H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.939 111.3 51.4 -59.2 -45.5 23.6 52.0 -7.6 75 117 A E H X S+ 0 0 77 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.869 106.1 55.3 -59.4 -38.9 21.2 52.1 -4.6 76 118 A D H X S+ 0 0 82 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.934 111.1 43.9 -57.7 -48.9 23.4 54.7 -2.9 77 119 A R H >X S+ 0 0 42 -4,-2.0 4,-1.5 1,-0.2 3,-0.7 0.922 109.4 55.6 -64.7 -44.5 23.2 57.0 -6.0 78 120 A V H 3X S+ 0 0 1 -4,-2.9 4,-2.9 1,-0.3 -1,-0.2 0.885 102.5 59.5 -55.2 -38.4 19.4 56.4 -6.3 79 121 A G H 3X S+ 0 0 33 -4,-2.1 4,-2.4 1,-0.2 -1,-0.3 0.849 99.8 54.8 -58.0 -37.5 19.1 57.6 -2.7 80 122 A W H <>S+ 0 0 1 -4,-1.5 5,-2.5 1,-0.2 3,-1.0 0.916 111.5 53.9 -65.6 -44.3 17.9 61.3 -6.3 82 124 A A H ><5S+ 0 0 43 -4,-2.9 3,-1.7 1,-0.3 -2,-0.2 0.897 103.4 56.6 -57.0 -43.8 15.2 60.1 -3.9 83 125 A E H 3<5S+ 0 0 139 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.709 109.9 45.5 -63.5 -22.7 16.2 62.7 -1.3 84 126 A R T <<5S- 0 0 60 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.169 121.4-103.3-108.1 14.9 15.6 65.5 -3.8 85 127 A G T < 5 + 0 0 35 -3,-1.7 -3,-0.2 1,-0.2 2,-0.2 0.660 69.4 149.3 76.1 20.8 12.3 64.2 -5.1 86 128 A Y < - 0 0 2 -5,-2.5 2,-0.4 -6,-0.1 -37,-0.2 -0.482 41.4-138.0 -81.2 152.8 13.6 62.7 -8.4 87 129 A K E -h 49 0B 53 -39,-2.4 -37,-1.3 -2,-0.2 2,-0.4 -0.900 23.6-143.3-104.8 145.4 12.2 59.7 -10.3 88 130 A V E -hi 50 175B 0 86,-2.8 88,-2.5 -2,-0.4 89,-1.6 -0.901 16.2-166.0-118.3 132.6 14.8 57.3 -11.7 89 131 A M E -hi 51 177B 0 -39,-2.8 -37,-2.6 -2,-0.4 2,-0.5 -0.983 20.7-143.8-110.6 119.2 14.9 55.3 -14.9 90 132 A L E -hi 52 178B 0 87,-2.3 89,-3.1 -2,-0.5 2,-0.6 -0.734 14.9-158.1 -85.2 126.8 17.7 52.7 -14.8 91 133 A D E -hi 53 179B 0 -39,-2.7 -37,-3.0 -2,-0.5 2,-1.5 -0.926 15.0-146.5-112.6 112.2 19.2 52.2 -18.3 92 134 A M E -h 54 0B 2 87,-2.1 90,-1.9 -2,-0.6 2,-0.3 -0.648 39.9-159.5 -75.8 93.6 21.1 49.0 -19.1 93 135 A H + 0 0 5 -39,-2.3 -37,-0.4 -2,-1.5 2,-0.3 -0.561 26.2 157.5 -94.4 140.0 23.5 50.9 -21.3 94 136 A Q - 0 0 12 -2,-0.3 2,-0.3 15,-0.1 15,-0.2 -0.980 17.0-171.4-146.3 149.5 25.8 49.7 -24.1 95 137 A D B S-O 108 0D 9 13,-1.9 13,-2.3 -2,-0.3 3,-0.1 -0.955 84.7 -3.1-136.0 131.8 27.5 51.2 -27.1 96 138 A V S S- 0 0 0 -2,-0.3 2,-2.4 11,-0.2 11,-0.2 0.860 115.3 -85.2 56.8 37.7 29.2 49.0 -29.6 97 139 A Y S S- 0 0 9 10,-0.1 13,-2.9 11,-0.1 2,-0.3 -0.302 95.2 -6.0 73.9 -57.4 28.3 45.9 -27.4 98 140 A S > - 0 0 4 -2,-2.4 3,-1.1 11,-0.3 9,-0.5 -0.990 58.2-112.8-164.2 155.5 31.2 45.9 -24.9 99 141 A G G > S+ 0 0 25 11,-0.5 3,-1.0 -2,-0.3 7,-0.4 0.723 108.8 75.9 -64.2 -21.2 34.5 47.3 -23.9 100 142 A A G 3 + 0 0 36 10,-0.4 -1,-0.2 1,-0.2 -3,-0.1 0.347 64.2 94.2 -75.2 5.3 35.9 43.9 -24.8 101 143 A I G < S+ 0 0 3 -3,-1.1 -1,-0.2 -5,-0.2 -2,-0.1 0.666 94.7 28.6 -74.3 -17.4 35.7 44.6 -28.6 102 144 A T < 0 0 32 -3,-1.0 4,-0.1 -4,-0.1 -1,-0.1 -0.989 360.0 360.0-137.3 148.6 39.4 45.7 -28.6 103 145 A P 0 0 174 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.165 360.0 360.0 -65.7 360.0 42.3 44.7 -26.3 104 ! 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 0.0 105 155 A A 0 0 103 0, 0.0 -6,-0.1 0, 0.0 -5,-0.1 0.000 360.0 360.0 360.0 -72.4 37.8 51.3 -24.3 106 156 A I + 0 0 62 -7,-0.4 -7,-0.1 -8,-0.2 2,-0.1 0.861 360.0 31.1 -94.2 -54.9 35.8 51.9 -27.4 107 157 A G - 0 0 6 -9,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.301 67.0-164.0 -94.2-178.1 32.6 50.1 -26.5 108 158 A N B +O 95 0D 14 -13,-2.3 -13,-1.9 -10,-0.2 2,-0.4 -0.969 45.4 57.7-160.4 153.4 30.8 49.5 -23.2 109 159 A G S S+ 0 0 3 -2,-0.3 -52,-2.6 -85,-0.3 -11,-0.3 -0.743 73.8 71.1 135.5 -84.9 28.1 47.3 -21.8 110 160 A A S S- 0 0 5 -13,-2.9 -11,-0.5 -2,-0.4 -10,-0.4 -0.321 79.6-108.1 -71.5 148.8 28.4 43.5 -21.9 111 161 A P > - 0 0 7 0, 0.0 3,-1.4 0, 0.0 4,-0.2 -0.387 31.1-109.6 -69.4 158.0 30.8 41.6 -19.8 112 162 A A G > S+ 0 0 73 1,-0.3 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82.1 72.6 -63.1 -27.6 8.1 41.1 44.9 577 182 B Y G < S+ 0 0 23 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.819 98.4 44.8 -52.6 -36.3 10.8 43.8 44.8 578 183 B I G < S+ 0 0 100 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.364 83.5 116.8 -98.2 5.2 11.4 43.5 48.6 579 184 B Q S <> S- 0 0 31 -3,-1.4 4,-2.9 -4,-0.2 3,-0.4 -0.457 78.4-111.7 -72.4 146.9 11.5 39.7 48.9 580 185 B P H > S+ 0 0 58 0, 0.0 4,-2.1 0, 0.0 -13,-0.2 0.841 114.9 48.6 -50.4 -43.8 14.9 38.4 50.1 581 186 B G H > S+ 0 0 0 -15,-2.8 4,-2.5 2,-0.2 -14,-0.2 0.902 114.6 44.5 -63.6 -43.3 15.8 36.7 46.7 582 187 B V H > S+ 0 0 0 -3,-0.4 4,-2.5 -16,-0.3 5,-0.2 0.922 111.9 51.9 -69.9 -44.9 14.9 39.8 44.6 583 188 B M H X S+ 0 0 42 -4,-2.9 4,-2.6 1,-0.2 50,-0.4 0.911 113.5 46.4 -55.4 -41.3 16.7 42.2 47.1 584 189 B R H X S+ 0 0 78 -4,-2.1 4,-2.8 -5,-0.3 5,-0.2 0.901 107.2 55.9 -68.4 -42.6 19.8 39.9 46.8 585 190 B A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -24,-0.2 0.918 114.5 41.1 -55.2 -44.7 19.5 39.7 42.9 586 191 B F H X S+ 0 0 3 -4,-2.5 4,-2.7 2,-0.2 6,-0.3 0.910 111.7 54.2 -69.4 -43.8 19.7 43.5 42.9 587 192 B D H <>S+ 0 0 16 -4,-2.6 5,-2.0 -5,-0.2 6,-1.3 0.870 112.0 46.5 -59.4 -35.7 22.4 43.7 45.6 588 193 B N H ><5S+ 0 0 0 -4,-2.8 3,-1.1 -27,-0.3 8,-0.2 0.926 110.4 52.3 -69.9 -44.7 24.5 41.3 43.5 589 194 B F H 3<5S+ 0 0 3 -4,-2.2 11,-0.4 1,-0.3 -2,-0.2 0.917 114.0 41.6 -57.3 -47.5 23.8 43.3 40.3 590 195 B W T 3<5S- 0 0 13 -4,-2.7 -1,-0.3 9,-0.1 -2,-0.2 0.483 112.7-122.8 -76.8 -2.0 25.0 46.6 41.8 591 196 B N T X 5 + 0 0 56 -3,-1.1 3,-0.5 -5,-0.2 -3,-0.2 0.748 68.2 139.9 59.1 29.6 27.8 44.6 43.5 592 197 B T T 3 + 0 0 22 -8,-0.2 3,-1.2 1,-0.1 4,-0.4 -0.409 50.3 149.6-140.0 64.6 29.6 40.2 41.2 597 202 B P T 3> S+ 0 0 69 0, 0.0 4,-0.7 0, 0.0 3,-0.2 0.681 74.1 68.1 -66.2 -15.6 31.6 43.2 39.8 598 203 B E H 3> S+ 0 0 55 1,-0.2 4,-2.5 2,-0.1 5,-0.2 0.705 81.4 74.3 -75.0 -22.3 31.1 41.7 36.3 599 204 B L H <> S+ 0 0 0 -3,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.919 96.0 45.0 -68.4 -45.8 27.3 42.2 36.1 600 205 B V H > S+ 0 0 16 -4,-0.4 4,-2.7 -11,-0.4 -1,-0.2 0.893 112.9 54.9 -61.2 -38.0 27.3 46.0 35.5 601 206 B E H X S+ 0 0 89 -4,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.917 108.1 47.3 -60.6 -45.6 30.2 45.4 32.9 602 207 B H H X S+ 0 0 42 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.937 112.0 51.6 -57.3 -47.8 28.0 42.9 31.0 603 208 B Y H X S+ 0 0 8 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.918 109.7 48.3 -56.3 -48.7 25.1 45.4 31.1 604 209 B A H X S+ 0 0 3 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.898 114.2 45.9 -60.6 -43.2 27.2 48.2 29.7 605 210 B K H X S+ 0 0 97 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.791 107.5 57.0 -74.1 -28.8 28.6 46.0 26.9 606 211 B A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.905 109.1 47.5 -64.0 -41.0 25.1 44.7 26.1 607 212 B W H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.900 107.9 54.9 -63.9 -41.8 24.1 48.3 25.6 608 213 B R H X S+ 0 0 78 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.899 106.1 52.9 -56.8 -41.5 27.2 48.9 23.4 609 214 B A H X S+ 0 0 13 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.910 111.2 45.4 -61.0 -44.0 26.0 45.9 21.3 610 215 B V H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 3,-0.3 0.936 112.9 50.1 -63.6 -47.5 22.6 47.6 20.8 611 216 B A H X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.822 105.4 58.1 -62.7 -32.3 24.2 51.0 20.1 612 217 B D H < S+ 0 0 107 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.2 0.888 110.0 43.5 -65.7 -39.0 26.4 49.4 17.5 613 218 B R H < S+ 0 0 53 -4,-1.4 3,-0.3 -3,-0.3 -2,-0.2 0.862 123.3 35.5 -70.7 -37.6 23.4 48.1 15.6 614 219 B F H >< S+ 0 0 0 -4,-1.9 3,-2.0 1,-0.2 6,-0.2 0.460 83.6 100.5-105.0 0.5 21.4 51.3 15.9 615 220 B A T 3< S+ 0 0 24 -4,-1.6 -1,-0.2 1,-0.3 46,-0.1 0.852 93.2 38.5 -51.3 -41.7 24.1 54.1 15.6 616 221 B D T 3 S+ 0 0 152 -4,-0.3 2,-0.8 -3,-0.3 -1,-0.3 0.180 87.6 114.7 -99.5 16.9 23.3 54.7 12.0 617 222 B N X - 0 0 31 -3,-2.0 3,-1.1 1,-0.1 -3,-0.0 -0.796 53.5-158.3 -91.6 113.1 19.5 54.3 12.3 618 223 B D T 3 S+ 0 0 126 -2,-0.8 -174,-0.1 1,-0.3 -1,-0.1 0.639 87.9 57.2 -71.1 -14.1 17.9 57.7 11.6 619 224 B A T 3 S+ 0 0 5 -95,-0.1 -94,-2.8 -5,-0.0 2,-0.5 0.707 87.7 86.2 -86.1 -22.9 14.7 56.8 13.4 620 225 B V E < +c 525 0I 11 -3,-1.1 -94,-0.2 -6,-0.2 3,-0.1 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-0.997 11.3-157.1-128.4 130.7 15.8 49.7 42.1 631 236 B G > - 0 0 0 -2,-0.4 3,-1.9 1,-0.3 2,-0.3 0.401 16.6-153.0 -93.6 1.6 18.7 49.7 44.5 632 237 B G T 3 S+ 0 0 1 1,-0.3 -1,-0.3 -55,-0.0 -48,-0.1 -0.484 83.7 1.8 61.4-122.2 17.8 46.7 46.7 633 238 B S T 3 S+ 0 0 76 -50,-0.4 2,-0.5 -2,-0.3 -1,-0.3 0.592 127.7 75.3 -72.2 -13.2 19.4 47.3 50.1 634 239 B L < + 0 0 48 -3,-1.9 2,-0.3 4,-0.1 -3,-0.2 -0.903 63.3 169.0 -99.7 128.2 20.6 50.7 48.9 635 240 B Q > + 0 0 75 -2,-0.5 3,-0.6 -5,-0.1 -5,-0.0 -0.995 41.9 4.9-140.7 147.6 17.9 53.5 48.6 636 241 B G T >> S- 0 0 19 -2,-0.3 4,-2.7 1,-0.2 3,-1.5 -0.488 122.3 -17.3 82.2-156.4 18.0 57.2 48.0 637 242 B P H 3>>S+ 0 0 86 0, 0.0 4,-2.3 0, 0.0 5,-0.5 0.830 130.8 66.5 -52.4 -37.5 21.2 59.2 47.3 638 243 B A H <45S+ 0 0 66 -3,-0.6 -2,-0.2 1,-0.2 -4,-0.1 0.854 116.0 29.9 -50.7 -36.4 23.3 56.3 48.6 639 244 B F H <4>S+ 0 0 0 -3,-1.5 5,-2.2 3,-0.2 6,-0.4 0.918 123.1 45.4 -86.8 -55.0 22.0 54.4 45.6 640 245 B E H <>S+ 0 0 2 -4,-2.7 5,-1.3 1,-0.3 42,-0.5 0.873 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79.7 101.3-112.1 -21.5 24.9 61.2 18.4 662 267 B T S S- 0 0 7 1,-0.1 2,-0.2 -51,-0.1 -40,-0.2 -0.470 76.6-112.2 -69.8 137.9 22.0 59.2 20.1 663 268 B W E -d 622 0I 17 -42,-2.4 -40,-2.5 -2,-0.1 2,-0.7 -0.536 22.4-140.9 -70.3 134.5 20.8 60.8 23.3 664 269 B V E -de 623 694I 0 29,-2.4 31,-2.2 -2,-0.2 2,-0.5 -0.898 19.2-156.3 -97.9 116.7 21.6 58.7 26.4 665 270 B b E -de 624 695I 0 -42,-3.5 -40,-2.2 -2,-0.7 2,-0.4 -0.842 7.9-166.3-103.0 131.4 18.6 58.9 28.7 666 271 B V E - e 0 696I 0 29,-2.5 31,-2.4 -2,-0.5 -39,-0.0 -0.905 3.8-153.8-120.0 142.7 18.9 58.3 32.5 667 272 B A - 0 0 4 -2,-0.4 3,-0.1 -41,-0.2 2,-0.1 -0.815 15.0-125.6-111.8 152.0 16.2 57.7 35.1 668 273 B P - 0 0 3 0, 0.0 2,-0.1 0, 0.0 31,-0.1 -0.341 55.0 -71.4 -77.1 174.2 16.2 58.3 38.8 669 274 B Q - 0 0 13 1,-0.1 4,-0.3 -41,-0.1 -39,-0.2 -0.439 47.6-138.9 -60.6 144.6 15.4 55.5 41.1 670 275 B A S > S+ 0 0 10 -41,-1.8 4,-3.1 3,-0.2 5,-0.4 0.938 76.2 84.6 -77.8 -49.4 11.7 54.7 40.7 671 276 B I T 4 S- 0 0 87 -42,-0.4 2,-1.4 1,-0.2 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