==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-AUG-12 4GDX . COMPND 2 MOLECULE: GAMMA-GLUTAMYLTRANSPEPTIDASE 1 HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.B.WEST,Y.CHEN,S.WICKHAM,A.HEROUX,K.CAHILL,M.H.HANIGAN,B.H. . 532 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19399.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 21 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 2 3 2 1 2 1 0 3 2 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 3 2 2 2 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 . 2 1 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 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 33 A P 0 0 175 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.7 1.7 -22.4 -21.6 2 34 A D + 0 0 56 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.457 360.0 165.7-145.6 64.1 -1.6 -22.3 -23.4 3 35 A N - 0 0 95 517,-0.1 2,-0.3 515,-0.0 517,-0.1 -0.541 17.5-169.4 -88.0 152.1 -2.7 -18.6 -24.0 4 36 A H E +A 519 0A 45 515,-0.5 515,-2.9 -2,-0.2 2,-0.4 -0.886 9.4 176.8-144.2 103.6 -5.5 -17.3 -26.3 5 37 A V E -A 518 0A 79 -2,-0.3 2,-0.4 513,-0.2 513,-0.2 -0.940 7.1-167.0-121.7 131.0 -5.8 -13.5 -27.0 6 38 A Y E -A 517 0A 34 511,-2.4 511,-2.9 -2,-0.4 4,-0.0 -0.939 19.1-150.6-126.4 132.3 -8.3 -12.0 -29.3 7 39 A T S S+ 0 0 110 -2,-0.4 -1,-0.1 525,-0.3 3,-0.1 0.789 93.2 15.5 -72.0 -25.9 -8.4 -8.4 -30.7 8 40 A R S S- 0 0 94 1,-0.4 2,-0.3 509,-0.1 346,-0.2 0.817 121.8 -10.1-117.1 -49.2 -12.1 -8.2 -31.1 9 41 A A - 0 0 0 508,-0.1 523,-1.9 344,-0.1 -1,-0.4 -0.983 49.9-163.6-158.6 160.6 -14.2 -10.9 -29.3 10 42 A A E -GH 350 531B 0 340,-2.3 340,-2.6 -2,-0.3 2,-0.4 -0.998 10.5-161.6-156.6 146.8 -14.0 -14.1 -27.3 11 43 A V E -GH 349 530B 0 519,-2.9 519,-2.0 -2,-0.3 2,-0.7 -0.996 7.0-167.4-128.9 123.2 -16.0 -17.1 -26.0 12 44 A A E +G 348 0B 0 336,-3.1 336,-2.0 -2,-0.4 2,-0.2 -0.880 24.5 156.8-112.2 96.5 -14.6 -19.3 -23.3 13 45 A A - 0 0 0 -2,-0.7 515,-0.2 515,-0.4 334,-0.1 -0.685 53.6-107.0-110.1 171.8 -16.8 -22.4 -23.1 14 46 A D S S+ 0 0 3 -2,-0.2 2,-0.3 513,-0.2 127,-0.2 0.268 104.0 46.4 -89.2 10.7 -15.8 -25.8 -21.6 15 47 A A S > S- 0 0 12 513,-0.2 4,-2.2 512,-0.1 3,-0.5 -0.949 78.3-134.4-148.3 132.8 -15.5 -27.5 -25.0 16 48 A K H > S+ 0 0 124 510,-0.4 4,-2.7 -2,-0.3 5,-0.2 0.884 104.7 55.2 -56.8 -40.4 -13.7 -26.1 -28.0 17 49 A Q H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.906 109.9 47.7 -62.9 -37.3 -16.5 -26.9 -30.5 18 50 A a H > S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.892 109.5 51.8 -71.6 -38.4 -18.9 -25.0 -28.4 19 51 A S H X S+ 0 0 0 -4,-2.2 4,-2.6 509,-0.3 -2,-0.2 0.929 110.7 50.2 -58.7 -42.4 -16.6 -22.0 -28.0 20 52 A K H X S+ 0 0 78 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.922 108.1 51.9 -62.7 -41.1 -16.3 -22.0 -31.8 21 53 A I H X S+ 0 0 8 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.918 112.0 46.4 -62.1 -43.1 -20.0 -22.1 -32.2 22 54 A G H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.931 112.4 50.7 -62.2 -44.0 -20.3 -19.1 -29.9 23 55 A R H X S+ 0 0 46 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.910 108.3 51.6 -62.2 -42.0 -17.6 -17.3 -31.8 24 56 A D H X S+ 0 0 64 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.878 106.4 54.9 -64.8 -36.0 -19.2 -17.9 -35.2 25 57 A A H <>S+ 0 0 0 -4,-1.8 5,-2.8 -5,-0.2 -1,-0.2 0.936 109.6 46.9 -60.3 -44.2 -22.4 -16.5 -33.8 26 58 A L H ><5S+ 0 0 6 -4,-2.0 3,-1.9 1,-0.2 -2,-0.2 0.925 111.1 51.1 -60.9 -45.6 -20.5 -13.3 -32.9 27 59 A R H 3<5S+ 0 0 128 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.855 104.7 58.2 -63.2 -33.6 -18.8 -13.1 -36.2 28 60 A D T 3<5S- 0 0 98 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.348 131.7 -92.5 -79.1 7.8 -22.2 -13.5 -37.9 29 61 A G T < 5S+ 0 0 51 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.530 76.6 148.8 96.3 9.7 -23.4 -10.3 -36.1 30 62 A G < - 0 0 10 -5,-2.8 -1,-0.2 -6,-0.2 2,-0.1 -0.310 45.9-114.6 -73.6 159.0 -24.9 -11.9 -33.0 31 63 A S > - 0 0 22 85,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.332 35.2 -98.3 -78.9 171.7 -25.0 -10.3 -29.6 32 64 A A H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.875 128.6 52.8 -56.8 -37.8 -23.1 -11.7 -26.7 33 65 A V H > S+ 0 0 2 83,-0.3 4,-2.9 2,-0.2 5,-0.2 0.931 106.4 51.2 -63.9 -47.1 -26.4 -13.2 -25.6 34 66 A D H > S+ 0 0 0 82,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.929 112.7 47.0 -52.9 -46.2 -26.9 -14.9 -29.0 35 67 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.896 111.0 51.2 -65.1 -40.5 -23.4 -16.3 -28.7 36 68 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.928 111.8 47.0 -64.6 -44.9 -24.0 -17.5 -25.2 37 69 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.929 112.3 48.9 -64.1 -45.9 -27.2 -19.3 -26.1 38 70 A A H X S+ 0 0 0 -4,-2.6 4,-1.4 -5,-0.2 -2,-0.2 0.936 115.0 45.4 -60.3 -43.1 -25.7 -21.0 -29.2 39 71 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.904 110.6 53.6 -66.9 -40.5 -22.7 -22.1 -27.1 40 72 A L H X S+ 0 0 1 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.889 104.8 54.0 -60.2 -42.5 -24.9 -23.3 -24.2 41 73 A L H < S+ 0 0 0 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.901 111.4 47.2 -58.8 -38.0 -27.0 -25.4 -26.6 42 74 A a H >X S+ 0 0 0 -4,-1.4 4,-2.7 -5,-0.2 3,-1.5 0.890 107.6 53.8 -70.0 -42.0 -23.8 -27.1 -27.7 43 75 A V H 3X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.3 7,-0.2 0.881 98.9 64.6 -63.4 -31.6 -22.5 -27.6 -24.2 44 76 A G H 3< S+ 0 0 3 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.702 112.3 36.1 -62.4 -21.6 -25.7 -29.4 -23.4 45 77 A L H X4 S+ 0 0 0 -3,-1.5 3,-1.2 -4,-0.3 -2,-0.2 0.850 121.5 41.0 -88.6 -55.1 -24.6 -32.0 -25.9 46 78 A M H 3< S+ 0 0 26 -4,-2.7 93,-0.4 1,-0.3 96,-0.3 0.811 132.6 25.3 -74.0 -29.9 -20.8 -32.2 -25.4 47 79 A N T >X S+ 0 0 6 -4,-2.8 3,-2.5 -5,-0.3 4,-0.9 -0.424 76.8 154.7-123.2 56.9 -21.0 -32.0 -21.7 48 80 A A T <4 + 0 0 9 -3,-1.2 -2,-0.1 1,-0.3 -1,-0.1 0.652 67.0 65.3 -63.3 -16.1 -24.5 -33.4 -21.3 49 81 A H T 34 S+ 0 0 4 1,-0.1 318,-1.9 -3,-0.1 319,-0.6 0.683 106.4 44.7 -74.2 -14.2 -23.7 -34.7 -17.8 50 82 A S T <4 S- 0 0 3 -3,-2.5 313,-1.3 1,-0.3 314,-0.4 0.728 121.5 -20.4-103.7 -35.6 -23.3 -31.0 -16.7 51 83 A M < + 0 0 2 -4,-0.9 -1,-0.3 311,-0.3 2,-0.3 -0.965 61.9 136.9-170.1 166.9 -26.2 -29.0 -18.1 52 84 A G > - 0 0 8 -2,-0.3 3,-2.0 4,-0.1 53,-0.2 -0.966 67.5 -51.7 161.0-169.7 -28.8 -28.9 -20.8 53 85 A I T 3 S+ 0 0 5 1,-0.3 53,-0.4 -2,-0.3 52,-0.1 0.593 123.6 64.8 -76.0 -4.4 -32.4 -28.1 -21.6 54 86 A G T 3 S+ 0 0 1 325,-0.4 327,-2.2 51,-0.1 -1,-0.3 0.307 106.3 45.9 -90.0 6.8 -33.6 -30.3 -18.8 55 87 A G S < S- 0 0 0 -3,-2.0 50,-1.9 325,-0.2 49,-1.5 -0.079 82.0-108.5-122.2-144.1 -32.0 -28.0 -16.2 56 88 A G E -I 362 0B 0 306,-2.1 306,-2.7 48,-0.2 19,-0.3 -0.972 22.8-164.9-154.9 168.4 -31.8 -24.3 -15.4 57 89 A L E -IJ 361 74B 0 17,-1.5 17,-2.2 -2,-0.3 2,-0.4 -0.951 17.0-135.2-151.2 164.9 -29.4 -21.4 -15.5 58 90 A F E -IJ 360 73B 1 302,-2.4 302,-2.0 -2,-0.3 2,-0.4 -0.977 18.4-161.3-120.6 142.2 -28.5 -17.9 -14.5 59 91 A L E -IJ 359 72B 0 13,-2.0 13,-2.7 -2,-0.4 2,-0.5 -0.990 6.5-161.0-120.3 130.0 -27.1 -15.3 -16.9 60 92 A T E -IJ 358 71B 0 298,-3.0 298,-2.8 -2,-0.4 2,-0.4 -0.959 22.6-172.0-103.4 126.2 -25.2 -12.1 -15.8 61 93 A I E -IJ 357 70B 8 9,-2.9 9,-2.6 -2,-0.5 2,-0.5 -0.980 14.4-164.3-130.0 132.1 -25.3 -9.7 -18.7 62 94 A Y E -IJ 356 69B 2 294,-2.8 294,-2.1 -2,-0.4 2,-0.6 -0.975 7.5-155.4-119.8 125.9 -23.6 -6.4 -19.2 63 95 A N E >> - J 0 68B 48 5,-2.6 4,-1.7 -2,-0.5 5,-1.0 -0.889 3.5-160.8 -99.3 113.8 -24.5 -3.8 -21.9 64 96 A S T 45S+ 0 0 27 -2,-0.6 -1,-0.1 2,-0.2 5,-0.1 0.667 87.0 56.5 -72.8 -16.6 -21.5 -1.7 -22.7 65 97 A T T 45S+ 0 0 116 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.943 119.7 27.1 -76.9 -53.8 -23.7 1.0 -24.3 66 98 A T T 45S- 0 0 79 2,-0.2 -2,-0.2 1,-0.0 -1,-0.1 0.665 99.6-134.8 -78.7 -17.3 -26.0 1.7 -21.3 67 99 A R T <5 + 0 0 150 -4,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.831 61.1 133.1 59.2 36.3 -23.2 0.5 -18.8 68 100 A K E < -J 63 0B 148 -5,-1.0 -5,-2.6 2,-0.0 2,-0.3 -0.926 44.8-153.1-117.6 143.1 -25.8 -1.5 -17.0 69 101 A A E +J 62 0B 9 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.829 15.0 179.0-106.8 149.6 -25.7 -5.0 -15.8 70 102 A E E -J 61 0B 21 -9,-2.6 -9,-2.9 -2,-0.3 2,-0.4 -0.939 18.6-136.7-140.1 164.3 -28.7 -7.3 -15.3 71 103 A V E -JK 60 229B 1 158,-2.3 158,-3.2 -2,-0.3 2,-0.6 -0.974 5.8-153.4-121.9 137.7 -29.3 -10.9 -14.2 72 104 A I E -JK 59 228B 0 -13,-2.7 -13,-2.0 -2,-0.4 2,-0.7 -0.967 11.8-155.6-109.5 119.0 -31.7 -13.4 -15.8 73 105 A N E +JK 58 227B 4 154,-2.9 154,-2.9 -2,-0.6 -15,-0.2 -0.849 31.8 150.6 -96.3 111.4 -32.9 -16.0 -13.3 74 106 A A E +J 57 0B 0 -17,-2.2 -17,-1.5 -2,-0.7 30,-0.3 -0.182 23.4 142.2-133.5 39.6 -34.0 -19.2 -15.0 75 107 A R - 0 0 0 -19,-0.3 -19,-0.1 1,-0.1 27,-0.1 -0.492 59.1 -94.3 -75.6 149.5 -33.2 -21.7 -12.3 76 108 A E - 0 0 0 -2,-0.2 2,-0.3 25,-0.1 -1,-0.1 -0.219 38.3-144.9 -61.9 154.8 -35.6 -24.6 -11.8 77 109 A V B -M 102 0C 28 25,-0.9 25,-2.8 334,-0.2 334,-0.2 -0.906 24.2 -97.7-121.4 153.0 -38.4 -24.3 -9.2 78 110 A A - 0 0 1 332,-2.7 331,-2.0 -2,-0.3 23,-0.1 -0.425 51.7-105.6 -62.5 136.7 -40.0 -26.9 -7.0 79 111 A P > - 0 0 2 0, 0.0 3,-1.7 0, 0.0 330,-0.2 -0.201 28.8-104.9 -62.9 164.3 -43.3 -28.2 -8.6 80 112 A R T 3 S+ 0 0 121 1,-0.3 136,-0.1 328,-0.2 -2,-0.1 0.776 121.2 51.4 -60.2 -29.1 -46.7 -27.1 -7.3 81 113 A L T 3 S+ 0 0 79 134,-0.3 -1,-0.3 2,-0.0 135,-0.1 0.465 86.8 111.5 -90.3 -3.3 -47.2 -30.5 -5.6 82 114 A A < - 0 0 4 -3,-1.7 2,-0.3 325,-0.1 -4,-0.0 -0.272 44.7-174.2 -67.4 158.2 -43.8 -30.5 -3.8 83 115 A F > - 0 0 106 324,-0.2 3,-2.0 1,-0.1 4,-0.2 -0.987 37.5-102.9-156.3 161.5 -43.6 -30.2 -0.0 84 116 A A T 3 S+ 0 0 23 -2,-0.3 3,-0.3 322,-0.3 322,-0.3 0.782 117.4 40.6 -59.4 -33.8 -40.9 -29.8 2.7 85 117 A T T 3 S+ 0 0 80 1,-0.2 -1,-0.3 304,-0.1 304,-0.1 0.107 77.2 115.4-104.6 25.5 -41.0 -33.5 3.9 86 118 A M S < S+ 0 0 14 -3,-2.0 2,-0.4 320,-0.1 -1,-0.2 0.704 70.9 54.4 -70.7 -19.7 -41.3 -35.2 0.5 87 119 A F + 0 0 1 -3,-0.3 304,-0.4 -4,-0.2 3,-0.1 -0.946 48.7 177.7-117.4 139.7 -37.9 -36.9 0.8 88 120 A N S S+ 0 0 97 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.401 73.0 32.5-115.2 -0.1 -36.6 -39.2 3.6 89 121 A S S > S- 0 0 45 1,-0.1 4,-1.4 303,-0.1 3,-0.5 -0.990 77.7-116.5-153.6 152.2 -33.2 -40.1 2.1 90 122 A S H > S+ 0 0 51 -2,-0.3 4,-0.6 1,-0.2 3,-0.4 0.895 115.7 56.8 -53.5 -43.8 -30.5 -38.5 -0.0 91 123 A E H >> S+ 0 0 108 1,-0.2 4,-1.7 2,-0.2 3,-1.1 0.879 103.1 53.3 -57.2 -40.6 -31.1 -41.1 -2.7 92 124 A Q H 34 S+ 0 0 83 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.856 110.8 47.4 -64.0 -32.4 -34.8 -40.2 -2.9 93 125 A S H 3< S+ 0 0 5 -4,-1.4 -1,-0.3 -3,-0.4 292,-0.2 0.519 118.1 41.4 -85.5 -5.3 -33.9 -36.6 -3.5 94 126 A Q H << S+ 0 0 49 -3,-1.1 2,-0.4 -4,-0.6 -2,-0.2 0.599 107.4 49.7-118.0 -20.4 -31.2 -37.4 -6.1 95 127 A K S < S+ 0 0 71 -4,-1.7 3,-0.2 -5,-0.1 -1,-0.2 -0.973 90.2 13.2-131.8 140.1 -32.5 -40.1 -8.4 96 128 A G S > S- 0 0 17 273,-2.4 3,-1.5 -2,-0.4 4,-0.3 -0.164 98.8 -50.7 93.1 176.1 -35.7 -40.6 -10.4 97 129 A G G > S+ 0 0 1 115,-2.5 3,-1.6 1,-0.3 118,-0.4 0.792 126.0 63.2 -60.9 -32.2 -38.6 -38.3 -11.3 98 130 A L G 3 S+ 0 0 51 114,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.737 96.6 60.2 -67.6 -19.8 -39.3 -37.0 -7.8 99 131 A S G < S+ 0 0 0 -3,-1.5 285,-2.0 270,-0.1 286,-0.4 0.543 84.9 105.7 -82.9 -5.8 -35.8 -35.4 -7.8 100 132 A V < - 0 0 2 -3,-1.6 115,-0.2 -4,-0.3 2,-0.2 -0.606 53.1-162.7 -83.6 126.0 -36.8 -33.3 -10.9 101 133 A A - 0 0 0 -2,-0.4 280,-0.2 -23,-0.1 -23,-0.2 -0.632 44.1 -79.8 -95.6 164.0 -37.5 -29.6 -10.5 102 134 A V B -M 77 0C 0 -25,-2.8 -25,-0.9 -2,-0.2 -1,-0.1 -0.494 54.6-117.3 -68.7 122.2 -39.3 -27.7 -13.3 103 135 A P + 0 0 0 0, 0.0 -47,-0.2 0, 0.0 4,-0.1 -0.311 34.1 177.1 -65.2 137.3 -36.7 -26.9 -16.0 104 136 A G > + 0 0 0 -49,-1.5 4,-2.5 -30,-0.3 -48,-0.2 0.487 50.5 100.5-109.6 -9.2 -36.1 -23.2 -16.7 105 137 A E H > S+ 0 0 0 -50,-1.9 4,-2.3 1,-0.2 5,-0.2 0.888 84.1 42.2 -51.7 -54.9 -33.4 -23.4 -19.3 106 138 A I H > S+ 0 0 0 -53,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.869 114.2 51.5 -68.0 -35.8 -35.4 -22.7 -22.5 107 139 A R H > S+ 0 0 38 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.906 109.2 53.2 -62.7 -40.4 -37.4 -19.9 -20.9 108 140 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.929 109.4 46.8 -59.9 -46.7 -34.2 -18.4 -19.8 109 141 A Y H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.919 112.5 52.3 -60.9 -42.2 -32.8 -18.5 -23.3 110 142 A E H X S+ 0 0 44 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.944 111.2 44.2 -60.4 -50.7 -36.1 -17.0 -24.6 111 143 A L H X S+ 0 0 31 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.920 115.0 48.8 -62.8 -44.7 -36.1 -14.1 -22.2 112 144 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.917 113.8 46.6 -60.6 -42.3 -32.4 -13.3 -22.8 113 145 A H H X S+ 0 0 35 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.872 109.2 54.2 -72.1 -35.1 -33.0 -13.5 -26.6 114 146 A Q H < S+ 0 0 131 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.906 117.5 37.3 -60.7 -39.4 -36.1 -11.3 -26.4 115 147 A R H < S+ 0 0 101 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.784 138.8 10.8 -84.1 -28.5 -34.1 -8.6 -24.6 116 148 A H H < S+ 0 0 25 -4,-2.1 -82,-0.4 -5,-0.2 -83,-0.3 0.327 87.9 127.3-136.6 7.0 -30.8 -8.9 -26.3 117 149 A G < + 0 0 17 -4,-2.4 -85,-0.1 -5,-0.2 4,-0.0 -0.369 17.6 164.6 -75.7 149.1 -31.0 -11.1 -29.4 118 150 A R + 0 0 182 -87,-0.1 -1,-0.1 1,-0.1 -88,-0.1 0.552 64.1 64.1-123.4 -42.8 -29.8 -10.1 -32.9 119 151 A L S S- 0 0 23 1,-0.1 -1,-0.1 -88,-0.1 2,-0.1 -0.461 99.0 -91.1 -79.0 153.6 -29.7 -13.4 -34.7 120 152 A P >> - 0 0 89 0, 0.0 4,-0.9 0, 0.0 3,-0.8 -0.398 34.2-116.6 -63.2 146.7 -32.9 -15.4 -35.3 121 153 A W H >> S+ 0 0 38 1,-0.2 3,-1.1 2,-0.2 4,-0.7 0.887 113.6 53.8 -46.2 -50.4 -33.8 -17.9 -32.7 122 154 A A H >> S+ 0 0 46 1,-0.3 4,-1.4 67,-0.2 3,-1.1 0.858 98.7 62.9 -60.9 -33.2 -33.5 -20.9 -35.1 123 155 A R H <4 S+ 0 0 54 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.819 96.2 61.0 -58.8 -31.7 -29.9 -19.8 -36.1 124 156 A L H << S+ 0 0 0 -3,-1.1 4,-0.3 -4,-0.9 -1,-0.3 0.774 110.2 39.7 -67.6 -28.8 -28.9 -20.4 -32.4 125 157 A F H XX S+ 0 0 0 -3,-1.1 4,-2.2 -4,-0.7 3,-0.6 0.722 92.8 85.7 -89.3 -29.0 -29.8 -24.1 -32.6 126 158 A Q H 3X S+ 0 0 87 -4,-1.4 4,-2.1 1,-0.3 5,-0.2 0.859 89.1 47.3 -50.3 -50.8 -28.6 -24.9 -36.1 127 159 A P H 3> S+ 0 0 24 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.877 114.4 47.8 -61.0 -37.6 -25.0 -25.8 -35.3 128 160 A S H <> S+ 0 0 0 -3,-0.6 4,-2.7 -4,-0.3 -2,-0.2 0.831 106.3 56.6 -72.8 -34.0 -26.0 -28.0 -32.4 129 161 A I H X S+ 0 0 15 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.954 111.6 44.8 -60.6 -45.8 -28.7 -29.8 -34.4 130 162 A Q H X S+ 0 0 99 -4,-2.1 4,-3.3 -5,-0.2 5,-0.3 0.940 113.3 49.7 -60.2 -47.7 -26.0 -30.8 -36.9 131 163 A L H X S+ 0 0 11 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.888 108.3 52.2 -60.9 -40.6 -23.5 -31.7 -34.1 132 164 A A H < S+ 0 0 0 -4,-2.7 46,-2.2 2,-0.2 -1,-0.2 0.866 116.7 40.4 -65.9 -32.5 -26.0 -33.9 -32.4 133 165 A R H < S+ 0 0 112 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.893 117.7 45.3 -82.7 -43.2 -26.7 -35.8 -35.6 134 166 A Q H < S- 0 0 129 -4,-3.3 -2,-0.2 -5,-0.2 -3,-0.2 0.834 104.5-143.9 -65.8 -35.8 -23.1 -36.0 -36.9 135 167 A G < - 0 0 4 -4,-2.4 42,-0.2 -5,-0.3 -1,-0.1 -0.150 9.8-133.0 85.3 167.9 -21.9 -37.0 -33.5 136 168 A F E -N 176 0D 5 40,-1.6 40,-2.8 -4,-0.1 2,-0.2 -0.988 25.8 -87.2-155.7 154.0 -18.6 -36.0 -31.9 137 169 A P E -N 175 0D 78 0, 0.0 38,-0.2 0, 0.0 2,-0.2 -0.511 51.6-107.6 -66.3 132.7 -15.7 -37.6 -30.0 138 170 A V - 0 0 2 36,-2.5 35,-2.6 33,-0.4 36,-0.1 -0.436 41.4-138.3 -60.1 124.8 -16.4 -37.8 -26.3 139 171 A G > - 0 0 34 -93,-0.4 4,-2.4 -2,-0.2 5,-0.2 -0.173 24.7 -91.2 -81.0 177.9 -14.2 -35.3 -24.5 140 172 A K H > S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 386,-0.2 0.900 120.5 46.5 -56.6 -46.2 -12.2 -35.5 -21.4 141 173 A G H > S+ 0 0 10 384,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.938 114.7 43.4 -67.5 -49.1 -14.9 -34.2 -19.0 142 174 A L H > S+ 0 0 0 -96,-0.3 4,-2.9 383,-0.2 5,-0.2 0.908 111.7 56.8 -66.2 -37.7 -17.8 -36.3 -20.3 143 175 A A H X S+ 0 0 13 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.926 108.8 44.9 -59.8 -44.4 -15.5 -39.3 -20.4 144 176 A A H X S+ 0 0 58 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.867 112.9 51.2 -69.2 -35.0 -14.6 -39.0 -16.7 145 177 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.911 109.1 50.9 -67.0 -41.3 -18.2 -38.4 -15.8 146 178 A L H < S+ 0 0 0 -4,-2.9 -2,-0.2 2,-0.2 7,-0.2 0.911 112.0 47.1 -61.1 -42.4 -19.3 -41.5 -17.7 147 179 A E H >< S+ 0 0 96 -4,-2.0 3,-1.6 -5,-0.2 4,-0.3 0.937 110.2 53.2 -62.7 -46.8 -16.6 -43.6 -15.9 148 180 A N H 3< S+ 0 0 98 -4,-2.6 3,-0.2 1,-0.3 -1,-0.2 0.869 120.8 31.5 -55.8 -39.8 -17.7 -42.2 -12.6 149 181 A K T 3X S+ 0 0 65 -4,-2.0 4,-2.5 1,-0.2 -1,-0.3 -0.019 81.2 125.6-109.6 28.1 -21.3 -43.1 -13.1 150 182 A R H <> S+ 0 0 106 -3,-1.6 4,-2.8 1,-0.2 5,-0.2 0.866 70.9 53.1 -60.7 -37.2 -20.7 -46.2 -15.2 151 183 A T H > S+ 0 0 90 -4,-0.3 4,-1.7 -3,-0.2 -1,-0.2 0.966 112.5 41.2 -63.9 -54.6 -22.7 -48.5 -13.0 152 184 A V H > S+ 0 0 22 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.896 118.4 48.4 -62.7 -39.4 -25.9 -46.4 -13.0 153 185 A I H >< S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.2 7,-0.5 0.937 111.0 48.2 -64.2 -49.5 -25.6 -45.7 -16.7 154 186 A E H 3< S+ 0 0 55 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.789 112.2 50.3 -66.4 -24.8 -24.9 -49.3 -17.8 155 187 A Q H 3< S+ 0 0 129 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.626 98.4 72.9 -89.9 -12.1 -27.9 -50.5 -15.7 156 188 A Q XX - 0 0 65 -3,-0.8 4,-2.6 -4,-0.8 3,-1.4 -0.854 66.3-163.2-105.4 101.3 -30.3 -47.9 -17.2 157 189 A P H 3> S+ 0 0 90 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.805 87.5 57.8 -55.6 -35.1 -31.2 -48.9 -20.8 158 190 A V H 34 S+ 0 0 33 1,-0.2 4,-0.3 2,-0.2 -5,-0.1 0.836 114.1 39.9 -68.1 -27.9 -32.6 -45.5 -21.7 159 191 A L H X> S+ 0 0 0 -3,-1.4 4,-2.7 -6,-0.2 3,-1.5 0.889 113.0 52.9 -82.1 -43.9 -29.2 -43.9 -20.8 160 192 A b H 3X S+ 0 0 20 -4,-2.6 4,-1.6 -7,-0.5 -2,-0.2 0.813 92.4 77.4 -63.0 -26.9 -27.1 -46.7 -22.2 161 193 A E H 3< S+ 0 0 128 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.824 117.7 11.3 -48.8 -37.7 -29.0 -46.2 -25.5 162 194 A V H <4 S+ 0 0 15 -3,-1.5 15,-0.3 -4,-0.3 -2,-0.2 0.695 129.2 52.2-113.9 -27.5 -26.9 -43.1 -26.1 163 195 A F H < S+ 0 0 6 -4,-2.7 7,-2.5 -10,-0.1 2,-0.3 0.404 101.6 66.3 -99.6 5.4 -24.1 -43.2 -23.6 164 196 A b E < -O 169 0E 19 -4,-1.6 2,-0.4 5,-0.3 5,-0.3 -0.851 57.0-155.2-124.4 155.5 -22.8 -46.7 -24.2 165 197 A R E > S-O 168 0E 126 3,-2.8 3,-1.5 -2,-0.3 -4,-0.0 -0.993 90.5 -11.5-124.1 120.3 -21.1 -48.7 -27.0 166 198 A D T 3 S- 0 0 125 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.913 130.7 -53.2 54.1 47.8 -21.8 -52.4 -26.7 167 199 A R T 3 S+ 0 0 98 -7,-0.2 2,-0.3 1,-0.1 -1,-0.3 0.349 120.7 94.6 77.5 -3.2 -23.3 -52.1 -23.2 168 200 A K E < S-O 165 0E 112 -3,-1.5 -3,-2.8 -8,-0.1 -1,-0.1 -0.919 86.2 -90.1-119.3 147.2 -20.3 -50.2 -21.7 169 201 A V E -O 164 0E 6 -2,-0.3 -5,-0.3 -5,-0.3 -1,-0.1 -0.151 50.1 -98.4 -55.5 144.2 -20.0 -46.5 -21.3 170 202 A L - 0 0 8 -7,-2.5 2,-0.2 1,-0.1 -1,-0.1 -0.318 38.8-139.3 -56.4 144.7 -18.3 -44.6 -24.1 171 203 A R > - 0 0 133 1,-0.1 3,-2.4 -3,-0.1 -33,-0.4 -0.664 37.2 -68.9-103.9 163.1 -14.7 -43.8 -23.6 172 204 A E T 3 S+ 0 0 125 1,-0.3 -33,-0.2 -2,-0.2 -1,-0.1 -0.222 122.6 20.4 -49.8 135.1 -12.8 -40.7 -24.5 173 205 A G T 3 S+ 0 0 51 -35,-2.6 -1,-0.3 1,-0.3 2,-0.1 0.092 93.1 121.8 89.6 -21.9 -12.5 -40.3 -28.3 174 206 A E S < S- 0 0 38 -3,-2.4 -36,-2.5 -37,-0.1 -1,-0.3 -0.434 72.1 -99.0 -76.3 150.2 -15.5 -42.6 -29.1 175 207 A R E -N 137 0D 151 -38,-0.2 2,-0.5 -2,-0.1 -1,-0.1 -0.516 34.4-165.7 -78.7 130.5 -18.3 -41.1 -31.1 176 208 A L E -N 136 0D 1 -40,-2.8 -40,-1.6 -2,-0.3 2,-0.4 -0.969 5.3-173.9-111.7 128.1 -21.4 -39.9 -29.2 177 209 A T - 0 0 52 -2,-0.5 -44,-0.2 -15,-0.3 -45,-0.1 -0.954 12.5-167.6-118.3 146.4 -24.6 -39.1 -31.2 178 210 A L > + 0 0 10 -46,-2.2 4,-1.9 -2,-0.4 5,-0.1 -0.660 20.3 161.4-131.5 69.6 -27.8 -37.6 -29.7 179 211 A P H > S+ 0 0 53 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.818 72.3 50.0 -70.1 -32.7 -30.4 -38.1 -32.4 180 212 A Q H > S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.932 112.4 47.6 -70.9 -45.6 -33.5 -37.7 -30.3 181 213 A L H > S+ 0 0 16 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.853 106.1 58.9 -63.2 -32.8 -32.2 -34.5 -28.8 182 214 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.941 107.4 47.0 -58.2 -45.3 -31.3 -33.2 -32.2 183 215 A D H X S+ 0 0 84 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.923 112.0 50.2 -60.3 -48.3 -35.0 -33.6 -33.2 184 216 A T H X S+ 0 0 7 -4,-2.4 4,-2.6 192,-0.4 -2,-0.2 0.920 109.5 50.5 -58.7 -45.1 -36.1 -31.8 -30.0 185 217 A Y H X S+ 0 0 1 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.895 109.4 52.1 -59.2 -39.4 -33.7 -28.9 -30.7 186 218 A E H X S+ 0 0 73 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.932 108.8 49.8 -64.2 -42.2 -35.1 -28.7 -34.2 187 219 A T H X S+ 0 0 38 -4,-2.5 4,-3.0 1,-0.2 5,-0.4 0.914 112.4 47.4 -61.6 -43.1 -38.6 -28.5 -32.8 188 220 A L H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.902 110.3 53.3 -64.0 -39.4 -37.5 -25.8 -30.4 189 221 A A H < S+ 0 0 12 -4,-2.5 -67,-0.2 -5,-0.2 -2,-0.2 0.901 119.8 32.3 -60.1 -43.2 -35.8 -23.9 -33.2 190 222 A I H < S+ 0 0 125 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.871 129.5 32.6 -84.8 -41.7 -38.9 -23.9 -35.4 191 223 A E H < S- 0 0 101 -4,-3.0 3,-0.3 -5,-0.2 -3,-0.2 0.581 102.9-133.8 -96.7 -13.8 -41.8 -23.7 -32.8 192 224 A G >< - 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