==== 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 04-AUG-12 4GG2 . 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. . 533 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19210.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 360 67.5 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 . 65 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 29.5 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 0 186 0, 0.0 2,-0.1 0, 0.0 460,-0.0 0.000 360.0 360.0 360.0 120.0 1.6 -22.8 -21.6 2 34 A D + 0 0 57 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.522 360.0 169.1-147.3 70.6 -1.6 -22.3 -23.6 3 35 A N - 0 0 80 -2,-0.1 2,-0.3 518,-0.1 518,-0.1 -0.538 15.3-169.2 -91.8 154.7 -2.8 -18.7 -24.1 4 36 A H E +A 520 0A 40 516,-0.5 516,-2.9 -2,-0.2 2,-0.4 -0.909 11.5 175.5-142.9 103.6 -5.6 -17.5 -26.4 5 37 A V E -A 519 0A 74 -2,-0.3 2,-0.4 514,-0.2 514,-0.3 -0.965 7.6-168.1-121.1 127.7 -5.8 -13.7 -26.9 6 38 A Y E -A 518 0A 37 512,-2.9 512,-2.9 -2,-0.4 4,-0.1 -0.939 20.2-150.0-124.3 140.8 -8.3 -12.1 -29.3 7 39 A T S S+ 0 0 107 -2,-0.4 -1,-0.1 526,-0.4 3,-0.1 0.808 93.7 19.1 -77.0 -30.4 -8.5 -8.6 -30.6 8 40 A R S S- 0 0 117 1,-0.3 2,-0.3 510,-0.1 347,-0.3 0.820 121.2 -17.6-112.1 -44.1 -12.2 -8.4 -31.1 9 41 A A - 0 0 0 509,-0.1 524,-1.9 345,-0.1 -1,-0.3 -0.994 48.5-158.5-168.1 156.5 -14.2 -11.0 -29.1 10 42 A A E -GH 351 532B 0 341,-1.9 341,-2.6 -2,-0.3 2,-0.4 -0.999 9.7-160.2-151.0 151.8 -14.1 -14.3 -27.3 11 43 A V E -GH 350 531B 0 520,-3.2 520,-2.2 -2,-0.3 2,-0.6 -0.996 8.1-167.2-128.3 123.8 -16.0 -17.3 -26.0 12 44 A A E +G 349 0B 0 337,-3.2 337,-2.0 -2,-0.4 2,-0.2 -0.865 23.8 156.2-114.6 98.6 -14.7 -19.5 -23.3 13 45 A A - 0 0 0 -2,-0.6 516,-0.3 516,-0.4 335,-0.1 -0.659 54.2-107.8-112.5 170.9 -16.8 -22.7 -23.0 14 46 A D S S+ 0 0 3 -2,-0.2 2,-0.3 514,-0.2 127,-0.2 0.293 104.2 49.0 -89.9 9.0 -15.8 -26.1 -21.6 15 47 A A S > S- 0 0 10 514,-0.2 4,-2.4 1,-0.1 3,-0.5 -0.958 76.5-137.1-145.0 134.3 -15.6 -27.7 -25.1 16 48 A K H > S+ 0 0 113 511,-0.4 4,-2.9 -2,-0.3 5,-0.2 0.908 105.0 54.8 -55.5 -47.9 -13.7 -26.3 -28.0 17 49 A Q H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.879 109.8 47.4 -55.0 -40.1 -16.5 -27.1 -30.5 18 50 A a H > S+ 0 0 0 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.901 109.6 53.0 -72.6 -35.9 -19.0 -25.2 -28.4 19 51 A S H X S+ 0 0 0 -4,-2.4 4,-2.7 510,-0.3 -2,-0.2 0.945 110.9 47.8 -59.4 -45.6 -16.6 -22.2 -28.1 20 52 A K H X S+ 0 0 81 -4,-2.9 4,-3.2 2,-0.2 5,-0.2 0.930 109.6 52.1 -62.4 -44.3 -16.3 -22.2 -31.8 21 53 A I H X S+ 0 0 11 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.922 113.0 45.0 -57.7 -43.9 -20.1 -22.4 -32.2 22 54 A G H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.926 112.4 52.3 -63.2 -42.4 -20.4 -19.4 -29.9 23 55 A R H X S+ 0 0 35 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.922 107.5 51.2 -62.4 -42.2 -17.6 -17.6 -31.7 24 56 A D H X S+ 0 0 55 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.875 105.5 55.6 -65.9 -34.4 -19.3 -18.1 -35.1 25 57 A A H <>S+ 0 0 0 -4,-1.7 5,-2.7 -5,-0.2 -1,-0.2 0.941 110.0 46.5 -62.2 -42.5 -22.5 -16.7 -33.8 26 58 A L H ><5S+ 0 0 7 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.942 110.7 52.2 -61.1 -46.4 -20.6 -13.6 -32.8 27 59 A R H 3<5S+ 0 0 129 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.824 104.8 56.5 -64.0 -30.7 -18.9 -13.4 -36.1 28 60 A D T 3<5S- 0 0 97 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.244 132.7 -87.7 -83.3 13.8 -22.3 -13.7 -37.9 29 61 A G T < 5S+ 0 0 52 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.494 77.7 150.2 96.9 2.8 -23.6 -10.6 -36.1 30 62 A G < - 0 0 10 -5,-2.7 -1,-0.2 -6,-0.2 87,-0.1 -0.284 45.0-117.1 -67.2 152.4 -25.0 -12.2 -32.9 31 63 A S > - 0 0 21 85,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.305 36.7 -99.1 -68.3 166.5 -25.1 -10.5 -29.5 32 64 A A H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.884 128.9 54.3 -54.5 -38.7 -23.2 -11.9 -26.6 33 65 A V H > S+ 0 0 2 83,-0.3 4,-3.0 2,-0.2 5,-0.2 0.928 105.7 51.1 -63.9 -43.2 -26.5 -13.5 -25.5 34 66 A D H > S+ 0 0 0 82,-0.4 4,-2.7 1,-0.2 5,-0.2 0.943 112.5 46.8 -55.6 -48.8 -26.9 -15.2 -29.0 35 67 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.931 111.9 50.4 -61.6 -45.2 -23.4 -16.6 -28.7 36 68 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.934 112.1 47.0 -59.8 -48.3 -24.0 -17.8 -25.1 37 69 A I H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.938 112.5 49.2 -60.1 -44.0 -27.3 -19.5 -26.1 38 70 A A H X S+ 0 0 0 -4,-2.7 4,-1.2 -5,-0.2 -1,-0.2 0.921 115.3 44.8 -63.8 -39.7 -25.7 -21.2 -29.2 39 71 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.910 110.2 53.8 -70.5 -41.7 -22.8 -22.4 -27.1 40 72 A L H X S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.902 105.3 54.5 -59.7 -42.4 -25.0 -23.6 -24.2 41 73 A L H < S+ 0 0 0 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.870 111.3 46.2 -58.7 -37.0 -27.1 -25.7 -26.6 42 74 A a H >X S+ 0 0 0 -4,-1.2 4,-2.7 -3,-0.2 3,-1.4 0.883 108.2 53.7 -73.8 -42.7 -23.8 -27.4 -27.7 43 75 A V H 3X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.3 7,-0.2 0.871 99.8 63.6 -61.8 -32.6 -22.5 -27.9 -24.2 44 76 A G H 3< S+ 0 0 3 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.754 111.9 37.7 -63.0 -20.9 -25.7 -29.7 -23.4 45 77 A L H X4 S+ 0 0 0 -3,-1.4 3,-1.2 -4,-0.3 -2,-0.2 0.908 121.8 38.8 -89.2 -56.4 -24.6 -32.2 -26.0 46 78 A M H 3< S+ 0 0 23 -4,-2.7 93,-0.4 1,-0.3 96,-0.2 0.770 132.2 27.5 -75.9 -28.8 -20.9 -32.5 -25.5 47 79 A N T >X S+ 0 0 7 -4,-2.7 3,-2.3 -5,-0.3 4,-0.9 -0.397 77.4 153.6-120.5 57.8 -21.0 -32.3 -21.7 48 80 A A T <4 + 0 0 9 -3,-1.2 -2,-0.1 1,-0.3 -1,-0.1 0.633 64.0 66.7 -62.0 -17.1 -24.5 -33.8 -21.4 49 81 A H T 34 S+ 0 0 4 1,-0.1 319,-2.3 -3,-0.1 320,-0.6 0.713 106.9 40.5 -72.5 -16.8 -23.7 -35.1 -17.9 50 82 A S T <4 S- 0 0 2 -3,-2.3 314,-1.4 1,-0.3 315,-0.4 0.722 121.7 -9.2-113.9 -21.4 -23.4 -31.5 -16.5 51 83 A M < + 0 0 3 -4,-0.9 -1,-0.3 312,-0.3 2,-0.3 -0.980 61.4 129.3-169.0 167.6 -26.2 -29.4 -18.1 52 84 A G > - 0 0 9 -2,-0.3 3,-2.1 4,-0.1 53,-0.2 -0.958 68.3 -51.9 159.1-174.7 -28.9 -29.2 -20.7 53 85 A I T 3 S+ 0 0 4 1,-0.3 53,-0.4 -2,-0.3 52,-0.2 0.582 123.1 64.4 -71.6 -6.0 -32.5 -28.4 -21.6 54 86 A G T 3 S+ 0 0 1 326,-0.3 328,-2.2 51,-0.1 -1,-0.3 0.293 106.6 49.5 -92.3 8.8 -33.7 -30.7 -18.8 55 87 A G S < S- 0 0 0 -3,-2.1 50,-2.0 326,-0.2 49,-1.5 -0.146 81.7-106.0-121.5-145.4 -32.1 -28.3 -16.2 56 88 A G E -I 363 0B 0 307,-2.1 307,-2.6 48,-0.2 19,-0.3 -0.965 24.2-166.0-149.8 164.0 -31.9 -24.6 -15.3 57 89 A L E -IJ 362 74B 0 17,-1.5 17,-2.4 -2,-0.3 2,-0.4 -0.959 16.8-141.4-150.4 168.2 -29.5 -21.6 -15.5 58 90 A F E -IJ 361 73B 1 303,-2.3 303,-1.9 -2,-0.3 2,-0.4 -0.987 16.6-163.6-126.9 140.0 -28.6 -18.2 -14.5 59 91 A L E -IJ 360 72B 0 13,-1.9 13,-3.0 -2,-0.4 2,-0.5 -0.993 8.1-158.0-122.5 135.0 -27.1 -15.6 -16.8 60 92 A T E -IJ 359 71B 0 299,-3.3 299,-2.8 -2,-0.4 2,-0.4 -0.966 22.9-168.9-106.0 124.5 -25.3 -12.4 -15.7 61 93 A I E -IJ 358 70B 8 9,-3.3 9,-2.8 -2,-0.5 2,-0.5 -0.968 13.3-166.2-127.2 129.2 -25.4 -9.9 -18.6 62 94 A Y E -IJ 357 69B 2 295,-2.8 295,-2.2 -2,-0.4 2,-0.7 -0.964 7.5-156.3-118.2 124.5 -23.6 -6.7 -19.0 63 95 A N E >> - J 0 68B 51 5,-2.8 4,-1.5 -2,-0.5 5,-0.9 -0.873 2.7-161.4 -99.8 115.2 -24.6 -4.1 -21.7 64 96 A S T 45S+ 0 0 26 -2,-0.7 -1,-0.1 1,-0.2 5,-0.1 0.665 86.3 55.6 -76.2 -16.0 -21.6 -1.9 -22.5 65 97 A T T 45S+ 0 0 117 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.939 121.2 26.2 -76.8 -53.9 -23.7 0.8 -24.1 66 98 A T T 45S- 0 0 84 2,-0.2 -2,-0.2 1,-0.0 -1,-0.1 0.605 99.1-135.6 -80.7 -11.1 -26.0 1.5 -21.1 67 99 A R T <5 + 0 0 144 -4,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.823 59.0 136.9 51.7 36.0 -23.3 0.2 -18.7 68 100 A K E < -J 63 0B 73 -5,-0.9 -5,-2.8 163,-0.0 2,-0.4 -0.907 42.6-153.3-112.5 141.0 -26.0 -1.7 -16.9 69 101 A A E +J 62 0B 7 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.839 16.0 177.5-103.5 147.2 -25.8 -5.3 -15.6 70 102 A E E -J 61 0B 15 -9,-2.8 -9,-3.3 -2,-0.4 2,-0.4 -0.943 18.9-138.0-140.1 164.9 -28.7 -7.6 -15.2 71 103 A V E -JK 60 229B 1 158,-2.4 158,-3.2 -2,-0.3 2,-0.6 -0.973 5.8-151.9-122.7 139.5 -29.3 -11.2 -14.2 72 104 A I E -JK 59 228B 0 -13,-3.0 -13,-1.9 -2,-0.4 2,-0.7 -0.963 11.3-155.7-110.6 118.5 -31.7 -13.7 -15.7 73 105 A N E +JK 58 227B 4 154,-3.2 154,-2.8 -2,-0.6 -15,-0.2 -0.844 32.4 149.0 -96.1 110.7 -33.0 -16.3 -13.2 74 106 A A E +J 57 0B 0 -17,-2.4 -17,-1.5 -2,-0.7 30,-0.3 -0.153 23.6 142.5-133.3 35.0 -34.0 -19.5 -15.0 75 107 A R - 0 0 0 -19,-0.3 -19,-0.1 1,-0.1 27,-0.1 -0.471 58.9 -93.5 -72.6 148.3 -33.2 -22.0 -12.2 76 108 A E - 0 0 0 -2,-0.1 2,-0.3 25,-0.1 -1,-0.1 -0.186 39.6-146.6 -61.9 162.7 -35.6 -25.0 -11.8 77 109 A V B -M 102 0C 27 25,-0.8 25,-2.4 335,-0.2 335,-0.2 -0.926 23.7 -95.9-137.3 143.8 -38.4 -24.7 -9.2 78 110 A A - 0 0 1 333,-2.5 332,-2.1 330,-0.3 23,-0.1 -0.415 50.8-107.9 -60.6 134.2 -40.1 -27.3 -7.0 79 111 A P > - 0 0 1 0, 0.0 3,-2.1 0, 0.0 331,-0.2 -0.226 29.3-104.2 -64.0 162.2 -43.3 -28.6 -8.6 80 112 A R T 3 S+ 0 0 115 1,-0.3 136,-0.1 329,-0.2 -2,-0.1 0.734 120.6 51.1 -59.5 -28.2 -46.7 -27.6 -7.3 81 113 A L T 3 S+ 0 0 79 134,-0.3 -1,-0.3 327,-0.1 2,-0.1 0.335 86.5 114.5 -93.2 5.3 -47.2 -30.9 -5.5 82 114 A A < - 0 0 5 -3,-2.1 2,-0.3 326,-0.1 3,-0.0 -0.388 43.3-175.6 -72.9 155.3 -43.8 -30.9 -3.8 83 115 A F > - 0 0 108 325,-0.2 3,-1.8 -2,-0.1 4,-0.2 -0.986 37.8-104.6-152.1 161.6 -43.6 -30.7 -0.0 84 116 A A T 3 S+ 0 0 22 -2,-0.3 3,-0.4 1,-0.3 323,-0.3 0.803 116.7 41.3 -56.6 -37.2 -40.9 -30.3 2.7 85 117 A T T 3 S+ 0 0 83 1,-0.2 -1,-0.3 305,-0.1 305,-0.1 0.122 77.7 113.8-100.8 23.7 -41.1 -34.0 3.9 86 118 A M S < S+ 0 0 12 -3,-1.8 2,-0.4 321,-0.1 -1,-0.2 0.711 71.1 55.9 -72.0 -19.0 -41.3 -35.6 0.5 87 119 A F + 0 0 0 -3,-0.4 305,-0.3 -4,-0.2 3,-0.1 -0.920 49.4 177.6-116.5 141.2 -37.9 -37.3 0.8 88 120 A N S S+ 0 0 104 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.404 72.7 27.1-120.5 -0.4 -36.7 -39.7 3.5 89 121 A S S > S- 0 0 47 1,-0.1 4,-1.3 304,-0.1 -1,-0.2 -0.976 77.0-113.6-152.5 165.8 -33.3 -40.4 2.1 90 122 A S H > S+ 0 0 35 -2,-0.3 4,-0.8 1,-0.2 3,-0.3 0.890 114.3 58.2 -65.7 -44.5 -30.6 -39.0 -0.1 91 123 A E H >> S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 3,-0.7 0.877 105.4 52.3 -55.0 -39.2 -31.1 -41.6 -2.8 92 124 A Q H 34 S+ 0 0 78 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.872 109.8 47.3 -64.0 -39.0 -34.7 -40.5 -3.0 93 125 A S H 3< S+ 0 0 5 -4,-1.3 293,-0.3 -3,-0.3 -1,-0.2 0.573 120.6 40.1 -77.7 -7.4 -33.8 -36.8 -3.5 94 126 A Q H << S+ 0 0 60 -4,-0.8 2,-0.4 -3,-0.7 -2,-0.2 0.702 107.6 49.0-116.1 -29.6 -31.2 -37.8 -6.1 95 127 A K S < S+ 0 0 99 -4,-2.0 3,-0.2 -5,-0.2 4,-0.2 -0.923 91.0 13.0-122.8 140.3 -32.4 -40.5 -8.5 96 128 A G S > S- 0 0 18 274,-2.3 3,-1.3 -2,-0.4 4,-0.2 -0.134 98.5 -52.2 90.8 177.1 -35.7 -41.0 -10.4 97 129 A G G > S+ 0 0 1 115,-2.7 3,-1.7 1,-0.3 118,-0.4 0.767 125.2 63.8 -66.3 -30.2 -38.5 -38.7 -11.3 98 130 A L G 3 S+ 0 0 52 114,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.777 97.8 59.9 -66.6 -21.6 -39.3 -37.5 -7.8 99 131 A S G < S+ 0 0 0 -3,-1.3 286,-1.6 -4,-0.2 2,-0.4 0.528 85.9 105.4 -81.7 -3.8 -35.9 -35.9 -7.8 100 132 A V < - 0 0 2 -3,-1.7 115,-0.2 -4,-0.2 2,-0.2 -0.635 53.1-162.8 -86.4 129.3 -36.8 -33.8 -10.8 101 133 A A - 0 0 0 -2,-0.4 281,-0.2 281,-0.1 -23,-0.2 -0.683 43.3 -79.5 -99.3 162.8 -37.5 -30.1 -10.6 102 134 A V B -M 77 0C 0 -25,-2.4 -25,-0.8 -2,-0.2 -1,-0.1 -0.424 54.2-120.0 -64.8 115.1 -39.4 -28.1 -13.3 103 135 A P + 0 0 0 0, 0.0 -47,-0.2 0, 0.0 4,-0.1 -0.307 32.5 178.3 -63.2 134.7 -36.7 -27.3 -16.0 104 136 A G > + 0 0 0 -49,-1.5 4,-2.2 -30,-0.3 -48,-0.2 0.441 50.6 101.5-109.6 -4.7 -36.1 -23.6 -16.6 105 137 A E H > S+ 0 0 0 -50,-2.0 4,-2.2 1,-0.2 3,-0.2 0.890 82.4 41.6 -54.1 -56.9 -33.4 -23.8 -19.3 106 138 A I H > S+ 0 0 0 -53,-0.4 4,-2.5 1,-0.3 -1,-0.2 0.863 114.9 52.4 -64.9 -35.7 -35.3 -23.1 -22.5 107 139 A R H > S+ 0 0 33 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.849 106.8 53.1 -69.1 -34.5 -37.4 -20.4 -20.9 108 140 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 -3,-0.2 -2,-0.2 0.923 109.2 49.5 -60.6 -45.0 -34.2 -18.7 -19.7 109 141 A Y H X S+ 0 0 1 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.918 111.1 51.2 -62.4 -42.1 -32.9 -18.8 -23.3 110 142 A E H X S+ 0 0 50 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.939 111.0 44.7 -59.5 -51.9 -36.2 -17.3 -24.5 111 143 A L H X S+ 0 0 34 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.931 115.8 47.9 -62.3 -41.5 -36.2 -14.4 -22.1 112 144 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.930 114.5 45.8 -66.7 -41.4 -32.6 -13.7 -22.8 113 145 A H H X S+ 0 0 35 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.864 109.6 55.4 -70.3 -36.1 -33.1 -13.9 -26.5 114 146 A Q H < S+ 0 0 132 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.902 116.7 36.3 -58.0 -42.5 -36.2 -11.7 -26.3 115 147 A R H < S+ 0 0 100 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.713 138.5 11.2 -87.2 -22.8 -34.3 -9.0 -24.5 116 148 A H H < S+ 0 0 27 -4,-1.9 -82,-0.4 -5,-0.2 -83,-0.3 0.313 86.9 128.3-141.6 5.9 -30.9 -9.2 -26.3 117 149 A G < + 0 0 16 -4,-2.4 -85,-0.1 -5,-0.2 4,-0.0 -0.374 18.5 166.8 -73.8 149.1 -31.1 -11.4 -29.3 118 150 A R + 0 0 181 -87,-0.1 -1,-0.1 1,-0.1 -88,-0.1 0.551 63.9 64.7-122.1 -45.8 -29.9 -10.4 -32.8 119 151 A L S S- 0 0 21 1,-0.1 -1,-0.1 -88,-0.1 5,-0.1 -0.434 98.2 -91.7 -75.2 152.8 -29.8 -13.7 -34.7 120 152 A P >> - 0 0 87 0, 0.0 4,-0.9 0, 0.0 3,-0.9 -0.377 35.1-115.3 -59.0 143.4 -33.0 -15.7 -35.3 121 153 A W H >> S+ 0 0 39 1,-0.2 3,-1.0 2,-0.2 4,-0.7 0.870 114.3 52.9 -42.5 -51.9 -34.0 -18.3 -32.7 122 154 A A H >> S+ 0 0 47 1,-0.3 4,-1.5 67,-0.2 3,-0.8 0.827 99.5 62.7 -61.4 -32.0 -33.5 -21.2 -35.1 123 155 A R H <4 S+ 0 0 56 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.827 96.7 59.4 -62.9 -30.9 -30.0 -20.1 -36.1 124 156 A L H << S+ 0 0 0 -3,-1.0 4,-0.3 -4,-0.9 -1,-0.3 0.809 111.0 40.7 -68.0 -29.3 -29.0 -20.6 -32.5 125 157 A F H XX S+ 0 0 0 -3,-0.8 4,-2.2 -4,-0.7 3,-0.8 0.740 92.5 85.0 -87.6 -27.9 -30.0 -24.3 -32.7 126 158 A Q H 3X S+ 0 0 96 -4,-1.5 4,-2.2 1,-0.3 5,-0.2 0.865 88.6 48.1 -52.7 -49.3 -28.7 -25.3 -36.2 127 159 A P H 3> S+ 0 0 25 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.852 114.5 46.7 -62.5 -33.9 -25.1 -26.1 -35.4 128 160 A S H <> S+ 0 0 0 -3,-0.8 4,-3.2 -4,-0.3 5,-0.2 0.861 106.9 56.8 -77.2 -34.6 -26.1 -28.3 -32.4 129 161 A I H X S+ 0 0 15 -4,-2.2 4,-1.4 1,-0.2 5,-0.2 0.967 112.0 44.6 -56.7 -48.4 -28.8 -30.2 -34.4 130 162 A Q H X S+ 0 0 102 -4,-2.2 4,-3.4 1,-0.2 3,-0.4 0.929 112.4 50.6 -61.3 -47.4 -26.1 -31.1 -36.8 131 163 A L H X S+ 0 0 9 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.902 107.6 52.2 -59.9 -46.0 -23.6 -32.0 -34.2 132 164 A A H < S+ 0 0 0 -4,-3.2 46,-2.3 2,-0.2 -1,-0.2 0.798 117.5 39.9 -61.8 -29.6 -26.1 -34.3 -32.3 133 165 A R H < S+ 0 0 110 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.905 118.0 44.2 -84.1 -48.7 -26.8 -36.1 -35.6 134 166 A Q H < S- 0 0 122 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.906 106.6-144.0 -60.5 -41.2 -23.3 -36.3 -37.0 135 167 A G < - 0 0 3 -4,-2.8 42,-0.2 -5,-0.4 -1,-0.1 -0.284 9.7-131.9 95.2 172.1 -22.0 -37.3 -33.6 136 168 A F E -N 176 0D 4 40,-1.7 40,-3.3 -4,-0.1 2,-0.2 -0.982 25.4 -89.3-158.7 153.9 -18.8 -36.3 -32.0 137 169 A P E -N 175 0D 71 0, 0.0 2,-0.3 0, 0.0 38,-0.2 -0.540 51.9-104.2 -69.0 137.8 -15.9 -37.9 -30.1 138 170 A V - 0 0 2 36,-2.6 35,-2.3 33,-0.4 36,-0.1 -0.452 41.7-135.9 -64.7 123.3 -16.4 -38.1 -26.4 139 171 A G > - 0 0 31 -93,-0.4 4,-2.5 -2,-0.3 5,-0.2 -0.093 23.2 -95.1 -76.8 176.7 -14.3 -35.5 -24.6 140 172 A K H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.923 119.6 44.4 -58.9 -50.6 -12.2 -35.7 -21.5 141 173 A G H > S+ 0 0 11 385,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.924 115.2 45.8 -65.3 -47.1 -14.8 -34.5 -19.0 142 174 A L H > S+ 0 0 0 -96,-0.2 4,-2.9 384,-0.2 -1,-0.2 0.917 110.5 55.0 -65.1 -40.8 -17.7 -36.5 -20.3 143 175 A A H X S+ 0 0 12 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.922 109.5 46.4 -57.7 -43.6 -15.6 -39.6 -20.5 144 176 A A H X S+ 0 0 58 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.859 112.3 50.7 -69.2 -33.0 -14.6 -39.3 -16.8 145 177 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.917 108.7 51.9 -69.4 -41.2 -18.2 -38.7 -15.9 146 178 A L H < S+ 0 0 0 -4,-2.9 -2,-0.2 2,-0.2 7,-0.2 0.937 112.6 45.6 -56.6 -47.0 -19.2 -41.8 -17.8 147 179 A E H >< S+ 0 0 99 -4,-2.4 3,-1.6 1,-0.2 4,-0.3 0.942 109.7 54.6 -62.4 -48.2 -16.6 -43.9 -16.0 148 180 A N H 3< S+ 0 0 97 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.855 121.7 29.6 -53.0 -36.7 -17.6 -42.4 -12.6 149 181 A K T 3X S+ 0 0 63 -4,-1.9 4,-2.6 1,-0.1 -1,-0.3 0.072 81.5 123.5-113.5 24.1 -21.2 -43.4 -13.2 150 182 A R H <> S+ 0 0 109 -3,-1.6 4,-3.2 1,-0.2 5,-0.3 0.880 71.9 54.8 -57.9 -40.2 -20.7 -46.5 -15.4 151 183 A T H > S+ 0 0 91 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.955 113.0 39.9 -58.3 -53.8 -22.6 -48.8 -13.1 152 184 A V H > S+ 0 0 31 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.913 118.0 49.7 -62.9 -41.1 -25.8 -46.7 -13.1 153 185 A I H >< S+ 0 0 2 -4,-2.6 3,-0.5 1,-0.2 7,-0.4 0.924 111.2 47.7 -65.3 -46.0 -25.5 -46.0 -16.8 154 186 A E H 3< S+ 0 0 61 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.761 111.7 50.7 -69.7 -23.1 -24.9 -49.6 -17.8 155 187 A Q H 3< S+ 0 0 123 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.668 100.3 67.7 -90.0 -16.5 -27.9 -50.8 -15.6 156 188 A Q XX - 0 0 66 -4,-1.1 4,-2.2 -3,-0.5 3,-1.1 -0.878 68.2-163.9-105.9 102.1 -30.4 -48.3 -17.1 157 189 A P H 3> S+ 0 0 83 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.742 84.7 61.8 -63.6 -26.7 -31.0 -49.1 -20.7 158 190 A V H 34 S+ 0 0 28 2,-0.2 4,-0.3 1,-0.2 5,-0.1 0.853 113.4 38.9 -66.4 -31.5 -32.6 -45.8 -21.7 159 191 A L H X> S+ 0 0 0 -3,-1.1 4,-2.8 -6,-0.2 3,-1.1 0.843 113.5 53.7 -78.4 -38.1 -29.3 -44.2 -20.8 160 192 A b H 3X S+ 0 0 21 -4,-2.2 4,-1.7 -7,-0.4 -2,-0.2 0.837 91.8 78.0 -65.3 -28.8 -27.2 -47.1 -22.2 161 193 A E H 3< S+ 0 0 122 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.849 118.0 8.9 -42.2 -44.6 -29.2 -46.5 -25.4 162 194 A V H <4 S+ 0 0 15 -3,-1.1 15,-0.3 -4,-0.3 -2,-0.2 0.685 128.8 54.5-113.4 -28.1 -26.9 -43.5 -26.1 163 195 A F H < S+ 0 0 6 -4,-2.8 7,-2.4 -10,-0.1 2,-0.3 0.469 100.3 66.2 -96.8 -0.2 -24.1 -43.5 -23.6 164 196 A b E < -O 169 0E 20 -4,-1.7 2,-0.4 5,-0.3 5,-0.3 -0.803 57.1-155.1-116.7 157.4 -22.9 -47.1 -24.2 165 197 A R E > S-O 168 0E 145 3,-3.2 3,-1.4 -2,-0.3 -4,-0.0 -0.981 90.1 -13.1-123.6 118.4 -21.2 -49.0 -27.0 166 198 A D T 3 S- 0 0 134 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.936 130.7 -51.1 56.0 53.2 -21.9 -52.7 -26.7 167 199 A R T 3 S+ 0 0 64 -7,-0.1 2,-0.3 1,-0.1 -1,-0.3 0.329 122.5 95.1 74.6 -6.9 -23.3 -52.5 -23.2 168 200 A K E < S-O 165 0E 125 -3,-1.4 -3,-3.2 -8,-0.1 -1,-0.1 -0.907 84.7 -93.5-119.0 146.0 -20.3 -50.6 -21.8 169 201 A V E -O 164 0E 13 -2,-0.3 -5,-0.3 -5,-0.3 -6,-0.1 -0.183 47.2 -99.9 -59.4 144.4 -19.9 -46.8 -21.4 170 202 A L - 0 0 8 -7,-2.4 2,-0.3 1,-0.1 -1,-0.1 -0.264 37.9-140.8 -55.0 149.2 -18.3 -44.9 -24.3 171 203 A R > - 0 0 89 1,-0.1 3,-1.8 -3,-0.1 -33,-0.4 -0.725 35.9 -71.0-110.9 161.1 -14.7 -44.0 -23.8 172 204 A E T 3 S+ 0 0 124 -2,-0.3 -33,-0.2 1,-0.2 -1,-0.1 -0.232 122.6 23.3 -47.2 136.3 -12.9 -40.8 -24.7 173 205 A G T 3 S+ 0 0 51 -35,-2.3 -1,-0.2 1,-0.3 -34,-0.1 -0.084 94.4 117.3 92.9 -34.7 -12.5 -40.6 -28.5 174 206 A E S < S- 0 0 60 -3,-1.8 -36,-2.6 -37,-0.2 -1,-0.3 -0.363 74.0 -99.2 -69.2 149.8 -15.4 -42.9 -29.2 175 207 A R E -N 137 0D 136 -38,-0.2 2,-0.5 -3,-0.1 -1,-0.1 -0.477 32.6-164.3 -78.1 131.3 -18.4 -41.3 -31.1 176 208 A L E -N 136 0D 0 -40,-3.3 -40,-1.7 -2,-0.2 2,-0.4 -0.970 7.1-175.6-113.9 128.2 -21.5 -40.2 -29.3 177 209 A T - 0 0 52 -2,-0.5 -44,-0.2 -15,-0.3 -45,-0.1 -0.961 12.1-167.9-121.0 141.2 -24.6 -39.5 -31.3 178 210 A L > + 0 0 8 -46,-2.3 4,-1.8 -2,-0.4 -44,-0.1 -0.667 16.7 165.3-128.8 75.4 -27.9 -38.1 -29.8 179 211 A P H > S+ 0 0 54 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.810 73.6 49.3 -72.3 -31.9 -30.6 -38.5 -32.4 180 212 A Q H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.906 111.4 48.7 -69.8 -39.0 -33.6 -38.0 -30.3 181 213 A L H > S+ 0 0 17 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.861 106.6 58.3 -71.9 -31.2 -32.3 -34.8 -28.7 182 214 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.940 108.1 45.4 -59.3 -47.0 -31.4 -33.6 -32.2 183 215 A D H X S+ 0 0 86 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.912 113.7 50.1 -61.6 -42.7 -35.1 -34.0 -33.2 184 216 A T H X S+ 0 0 6 -4,-2.4 4,-2.7 193,-0.4 -2,-0.2 0.944 109.3 50.3 -64.2 -47.0 -36.2 -32.2 -30.0 185 217 A Y H X S+ 0 0 1 -4,-3.5 4,-2.9 1,-0.2 -1,-0.2 0.897 110.3 52.2 -55.2 -39.6 -33.7 -29.3 -30.6 186 218 A E H X S+ 0 0 73 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.934 108.1 49.4 -64.7 -45.7 -35.2 -29.1 -34.2 187 219 A T H X S+ 0 0 35 -4,-2.6 4,-3.3 1,-0.2 5,-0.5 0.920 112.6 48.4 -55.8 -45.0 -38.7 -28.9 -32.8 188 220 A L H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.930 109.9 52.0 -63.6 -44.2 -37.6 -26.2 -30.4 189 221 A A H < S+ 0 0 12 -4,-2.9 -67,-0.2 -5,-0.2 -1,-0.2 0.909 120.5 33.7 -54.7 -45.0 -35.8 -24.3 -33.2 190 222 A I H < S+ 0 0 124 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.896 128.5 31.4 -84.3 -43.3 -39.0 -24.3 -35.3 191 223 A E H < S- 0 0 105 -4,-3.3 3,-0.3 -5,-0.2 -3,-0.2 0.617 103.6-134.6 -92.2 -11.6 -41.9 -24.1 -32.9 192 224 A G >< - 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