==== 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 26-FEB-09 3GET . COMPND 2 MOLECULE: HISTIDINOL-PHOSPHATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI SUBSP. JEJUNI NCT . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 726 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28030.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 527 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 46 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 251 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 0 0 6 1 5 6 4 1 1 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 4 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 0 PARALLEL BRIDGES PER LADDER . 0 4 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 A G 0 0 91 0, 0.0 2,-0.5 0, 0.0 547,-0.0 0.000 360.0 360.0 360.0-165.9 61.4 50.8 86.8 2 1 A X + 0 0 33 578,-0.1 2,-0.3 547,-0.0 546,-0.2 -0.586 360.0 177.6 -78.0 120.8 58.9 49.4 84.3 3 2 A K - 0 0 95 -2,-0.5 2,-0.2 545,-0.2 3,-0.1 -0.773 10.9-153.5-117.0 164.2 56.8 46.5 85.5 4 3 A F - 0 0 53 -2,-0.3 461,-0.2 1,-0.1 460,-0.1 -0.705 41.6 -57.8-127.1 177.8 54.0 44.6 83.8 5 4 A N > - 0 0 19 459,-2.5 3,-2.0 -2,-0.2 4,-0.3 -0.329 51.6-120.3 -58.3 140.6 51.0 42.6 84.9 6 5 A E G > S+ 0 0 97 1,-0.3 3,-2.1 2,-0.2 4,-0.4 0.813 107.1 69.7 -56.7 -32.3 51.9 39.7 87.1 7 6 A F G > S+ 0 0 64 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.738 85.2 68.3 -61.5 -23.1 50.5 37.1 84.8 8 7 A L G X S+ 0 0 5 -3,-2.0 3,-1.4 1,-0.2 -1,-0.3 0.715 86.9 70.0 -67.0 -21.2 53.3 37.9 82.3 9 8 A N G < S+ 0 0 129 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.2 0.788 93.5 56.1 -62.8 -29.6 55.7 36.3 84.8 10 9 A N G < S+ 0 0 62 -3,-1.2 2,-0.3 -4,-0.4 -1,-0.3 0.483 94.9 87.1 -79.0 -5.0 54.0 32.9 84.1 11 10 A L S < S- 0 0 15 -3,-1.4 2,-0.2 -4,-0.1 603,-0.1 -0.752 79.2-119.8-101.2 146.4 54.9 33.3 80.3 12 11 A S - 0 0 93 -2,-0.3 -2,-0.1 602,-0.1 2,-0.1 -0.585 34.3-100.5 -84.7 142.2 58.1 32.2 78.7 13 12 A N - 0 0 141 -2,-0.2 2,-0.6 1,-0.1 -1,-0.1 -0.396 43.4-148.2 -54.0 130.3 60.3 34.8 76.9 14 13 A Y + 0 0 47 596,-0.4 -1,-0.1 -2,-0.1 -3,-0.0 -0.802 30.5 161.1-123.4 99.2 59.5 34.3 73.2 15 14 A E - 0 0 72 -2,-0.6 414,-0.1 0, 0.0 -2,-0.0 -0.819 33.2-140.7-109.2 88.4 62.1 34.9 70.4 16 15 A P - 0 0 49 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.266 30.5-126.6 -46.0 133.0 61.0 33.2 67.1 17 16 A G - 0 0 60 1,-0.2 412,-0.2 0, 0.0 2,-0.1 -0.108 33.8 -63.4 -80.3 177.5 64.3 31.8 65.6 18 17 A K - 0 0 114 1,-0.1 -1,-0.2 2,-0.1 2,-0.1 -0.369 65.8 -97.5 -63.7 132.8 66.0 32.1 62.3 19 18 A D > - 0 0 50 1,-0.1 4,-2.0 -3,-0.1 3,-0.2 -0.332 25.7-138.6 -55.6 128.4 63.8 30.6 59.5 20 19 A I H > S+ 0 0 71 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.819 101.7 56.2 -58.4 -36.2 65.0 27.1 58.7 21 20 A E H > S+ 0 0 61 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 106.5 50.1 -65.5 -41.1 64.6 27.6 54.9 22 21 A V H > S+ 0 0 57 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.953 111.4 50.0 -60.2 -48.3 67.0 30.6 55.1 23 22 A I H X S+ 0 0 33 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.948 109.9 49.1 -52.2 -56.8 69.4 28.4 57.0 24 23 A A H <>S+ 0 0 0 -4,-2.6 5,-1.5 1,-0.2 4,-0.3 0.835 110.2 51.9 -52.0 -41.4 69.2 25.6 54.4 25 24 A K H ><5S+ 0 0 129 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.908 106.8 52.5 -65.4 -41.1 69.8 28.1 51.6 26 25 A E H 3<5S+ 0 0 118 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.865 103.6 58.8 -62.5 -33.5 72.9 29.4 53.4 27 26 A Y T 3<5S- 0 0 123 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.610 114.9-121.3 -68.4 -11.1 74.1 25.8 53.6 28 27 A G T < 5 - 0 0 61 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.869 41.9-177.0 76.0 38.5 73.9 25.7 49.8 29 28 A V < - 0 0 28 -5,-1.5 3,-0.1 1,-0.1 -1,-0.1 -0.280 33.6-124.7 -67.6 154.4 71.4 22.8 49.4 30 29 A K S S- 0 0 218 1,-0.3 2,-0.3 298,-0.1 -1,-0.1 0.932 89.7 -9.3 -64.1 -45.7 70.5 21.6 45.8 31 30 A E - 0 0 76 297,-0.3 2,-0.5 2,-0.0 -1,-0.3 -0.984 66.6-126.2-153.6 148.7 66.8 22.1 46.5 32 31 A V - 0 0 36 -2,-0.3 2,-0.5 -3,-0.1 298,-0.2 -0.877 21.2-173.5-103.0 121.5 64.5 23.0 49.5 33 32 A I E -a 330 0A 10 296,-3.3 298,-3.1 -2,-0.5 2,-0.6 -0.986 10.5-156.4-119.4 111.4 61.6 20.6 50.2 34 33 A K E +a 331 0A 59 -2,-0.5 298,-0.2 296,-0.2 3,-0.1 -0.875 32.9 147.6-100.5 111.1 59.2 21.9 53.0 35 34 A L + 0 0 3 296,-3.1 311,-2.4 -2,-0.6 298,-0.5 -0.297 49.8 91.0-132.0 42.3 57.2 19.2 54.8 36 35 A A S S+ 0 0 6 296,-0.3 296,-0.1 309,-0.2 -1,-0.1 0.492 76.0 50.3-123.6 -5.1 57.0 20.7 58.3 37 36 A S S S- 0 0 35 -3,-0.1 388,-0.1 2,-0.1 308,-0.1 0.289 95.5-115.1-126.8 13.6 53.9 22.9 58.6 38 37 A N + 0 0 2 1,-0.2 2,-0.1 269,-0.1 269,-0.1 0.784 60.3 156.3 56.3 35.3 50.9 20.8 57.4 39 38 A E - 0 0 27 1,-0.1 -1,-0.2 191,-0.1 188,-0.1 -0.421 55.3 -88.8 -85.5 158.7 50.3 23.1 54.4 40 39 A N > - 0 0 3 186,-0.4 3,-1.8 383,-0.3 -1,-0.1 -0.586 32.1-149.4 -68.3 119.0 48.5 22.0 51.2 41 40 A P T 3 S+ 0 0 32 0, 0.0 308,-0.2 0, 0.0 -1,-0.1 0.721 95.4 57.2 -69.7 -17.6 51.2 20.6 48.9 42 41 A F T 3 S- 0 0 59 1,-0.3 2,-0.3 233,-0.1 -2,-0.1 0.412 105.9-137.9 -87.5 -2.0 49.3 21.7 45.8 43 42 A G < - 0 0 7 -3,-1.8 -1,-0.3 380,-0.1 -3,-0.1 -0.596 51.2 -2.6 90.2-145.7 49.3 25.3 47.0 44 43 A T S S- 0 0 4 376,-0.4 186,-0.2 -2,-0.3 187,-0.1 -0.723 81.8 -99.4 -88.6 138.2 46.4 27.8 47.0 45 44 A P >> - 0 0 0 0, 0.0 4,-2.2 0, 0.0 3,-1.2 -0.344 30.4-125.6 -59.7 135.8 43.2 26.8 45.4 46 45 A P H 3> S+ 0 0 74 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.812 110.1 53.9 -52.0 -36.5 43.0 28.1 41.9 47 46 A K H 3> S+ 0 0 96 1,-0.2 4,-1.9 2,-0.2 222,-0.1 0.805 110.7 48.3 -66.1 -31.3 39.6 29.9 42.5 48 47 A A H <> S+ 0 0 0 -3,-1.2 4,-2.7 2,-0.2 -1,-0.2 0.867 107.1 55.6 -74.0 -37.6 41.2 31.6 45.5 49 48 A I H X S+ 0 0 43 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.950 112.1 42.9 -58.9 -48.9 44.3 32.7 43.5 50 49 A E H X S+ 0 0 96 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.915 111.8 53.4 -65.0 -45.4 42.1 34.4 41.0 51 50 A C H X S+ 0 0 25 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.903 111.5 47.4 -53.1 -45.0 39.9 35.9 43.7 52 51 A L H X S+ 0 0 3 -4,-2.7 4,-0.8 2,-0.2 -2,-0.2 0.909 110.6 50.2 -64.3 -45.6 43.0 37.3 45.4 53 52 A R H >< S+ 0 0 93 -4,-2.4 3,-0.5 1,-0.2 4,-0.3 0.898 113.3 46.9 -63.3 -40.5 44.4 38.7 42.1 54 53 A Q H 3< S+ 0 0 116 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.755 116.7 44.2 -69.9 -27.5 41.1 40.4 41.4 55 54 A N H >< S+ 0 0 32 -4,-1.3 3,-2.0 -5,-0.2 -1,-0.2 0.465 82.1 98.6-102.4 5.1 40.8 41.8 44.9 56 55 A A G X< S+ 0 0 0 -4,-0.8 3,-1.0 -3,-0.5 -1,-0.2 0.810 82.3 55.3 -54.9 -38.5 44.5 43.0 45.1 57 56 A N G 3 S+ 0 0 76 -3,-0.3 350,-0.4 -4,-0.3 -1,-0.3 0.312 101.0 59.6 -81.4 8.8 43.3 46.5 44.3 58 57 A K G X + 0 0 47 -3,-2.0 3,-1.8 348,-0.1 -1,-0.2 0.199 69.1 108.5-113.6 9.5 40.8 46.5 47.2 59 58 A A T < + 0 0 0 -3,-1.0 537,-2.5 1,-0.3 538,-0.9 0.665 69.8 64.6 -65.1 -15.1 43.5 45.9 49.9 60 59 A H T 3 S+ 0 0 25 535,-0.2 2,-0.5 534,-0.2 535,-0.4 0.561 85.5 90.7 -81.1 -13.1 43.0 49.5 51.1 61 60 A L S < S- 0 0 48 -3,-1.8 199,-0.3 534,-0.1 3,-0.1 -0.743 78.3-123.9 -96.3 128.0 39.3 48.9 52.3 62 61 A Y - 0 0 32 -2,-0.5 534,-0.2 1,-0.1 197,-0.1 -0.374 40.2-104.5 -58.6 145.5 38.5 47.8 55.7 63 62 A P - 0 0 8 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.301 34.9 -93.3 -73.7 158.4 36.5 44.6 55.6 64 63 A D > - 0 0 65 1,-0.2 3,-1.2 -3,-0.1 -3,-0.0 -0.631 37.0-151.3 -66.2 110.2 32.7 44.4 56.2 65 64 A D T 3 S+ 0 0 28 -2,-0.7 -1,-0.2 1,-0.3 192,-0.1 0.695 90.9 65.9 -65.1 -20.5 32.8 43.6 59.9 66 65 A S T 3 S- 0 0 40 1,-0.1 -1,-0.3 5,-0.0 5,-0.1 0.825 86.3-157.2 -67.7 -27.9 29.5 41.7 59.8 67 66 A X <> + 0 0 4 -3,-1.2 4,-2.6 1,-0.1 5,-0.2 0.820 32.5 157.7 54.3 37.8 31.4 39.2 57.6 68 67 A I H > + 0 0 80 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.823 59.7 56.2 -66.2 -36.9 28.0 38.2 56.3 69 68 A E H > S+ 0 0 105 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.947 114.6 37.8 -64.3 -47.8 29.2 36.6 53.0 70 69 A L H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.926 116.6 52.1 -71.6 -41.8 31.5 34.1 54.7 71 70 A K H X S+ 0 0 23 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.926 111.1 48.0 -56.8 -46.3 29.2 33.5 57.6 72 71 A S H X S+ 0 0 49 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.864 111.0 51.1 -61.4 -36.2 26.3 32.7 55.2 73 72 A T H X S+ 0 0 35 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.920 113.8 43.8 -69.0 -43.5 28.6 30.4 53.2 74 73 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.929 112.3 53.5 -64.5 -44.8 29.6 28.5 56.3 75 74 A A H X>S+ 0 0 10 -4,-3.1 5,-1.6 -5,-0.2 4,-0.9 0.831 111.7 46.0 -58.3 -39.5 26.0 28.4 57.5 76 75 A Q H <5S+ 0 0 150 -4,-1.8 3,-0.2 3,-0.2 -1,-0.2 0.935 112.1 50.0 -71.5 -46.5 24.9 26.9 54.2 77 76 A K H <5S+ 0 0 97 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.888 123.5 29.9 -57.0 -46.5 27.6 24.4 54.1 78 77 A Y H <5S- 0 0 13 -4,-2.6 132,-0.4 -5,-0.1 -1,-0.2 0.462 104.9-123.5 -94.3 -5.0 27.1 23.1 57.6 79 78 A K T <5 + 0 0 156 -4,-0.9 2,-0.2 -5,-0.3 -3,-0.2 0.933 69.2 120.3 57.9 51.3 23.3 23.8 57.8 80 79 A V < - 0 0 13 -5,-1.6 2,-0.2 -6,-0.2 -1,-0.2 -0.723 65.5 -91.9-124.8-179.2 23.5 26.0 60.9 81 80 A Q > - 0 0 127 -2,-0.2 3,-2.2 -3,-0.1 4,-0.1 -0.611 30.1-114.6 -95.4 155.3 22.4 29.7 61.5 82 81 A N G > S+ 0 0 49 1,-0.3 3,-1.9 -2,-0.2 -1,-0.1 0.815 115.2 65.5 -55.9 -34.1 24.7 32.7 61.1 83 82 A E G 3 S+ 0 0 131 1,-0.3 -1,-0.3 157,-0.0 163,-0.2 0.527 95.2 60.4 -67.4 -8.8 24.3 33.3 64.9 84 83 A N G < S+ 0 0 19 -3,-2.2 157,-2.1 162,-0.1 2,-0.4 0.365 96.2 79.0 -96.4 2.7 26.2 30.0 65.4 85 84 A I E < +B 240 0B 0 -3,-1.9 2,-0.3 155,-0.2 155,-0.2 -0.892 46.4 175.3-121.7 140.3 29.4 31.2 63.6 86 85 A I E -B 239 0B 0 153,-1.8 153,-2.0 -2,-0.4 2,-0.4 -0.980 21.5-141.9-131.3 146.6 32.3 33.4 64.5 87 86 A I E -B 238 0B 0 -2,-0.3 2,-0.3 151,-0.2 151,-0.2 -0.909 21.9-173.9-111.8 132.1 35.4 34.0 62.2 88 87 A G E -B 237 0B 0 149,-2.5 149,-2.4 -2,-0.4 2,-2.0 -0.864 42.4 -96.8-122.2 162.8 38.9 34.2 63.7 89 88 A A S S- 0 0 18 -2,-0.3 4,-0.5 147,-0.2 147,-0.3 -0.610 107.6 -27.3 -75.4 81.0 42.3 35.0 62.5 90 89 A G S >> S- 0 0 0 -2,-2.0 4,-0.7 2,-0.2 3,-0.7 0.004 87.3 -84.1 82.7 160.4 43.0 31.3 62.1 91 90 A S H 3> S+ 0 0 0 145,-0.3 4,-2.0 1,-0.2 3,-0.4 0.772 126.7 75.0 -66.6 -24.6 41.2 28.8 64.3 92 91 A D H 3> S+ 0 0 11 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.877 89.5 53.9 -49.6 -44.3 43.9 29.6 66.8 93 92 A Q H <> S+ 0 0 22 -3,-0.7 4,-2.0 -4,-0.5 -1,-0.2 0.870 105.4 53.7 -64.4 -33.2 42.2 32.9 67.6 94 93 A V H X S+ 0 0 0 -4,-0.7 4,-2.5 -3,-0.4 -2,-0.2 0.886 105.5 53.4 -68.6 -36.6 38.9 31.0 68.3 95 94 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.905 107.9 52.5 -57.1 -43.8 40.8 28.8 70.8 96 95 A E H X S+ 0 0 36 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.918 108.3 49.0 -58.4 -47.4 42.0 32.1 72.4 97 96 A F H X S+ 0 0 16 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.953 111.9 49.8 -57.4 -46.2 38.4 33.3 72.7 98 97 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 5,-0.3 0.937 112.9 45.8 -59.2 -49.0 37.4 30.0 74.2 99 98 A I H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 3,-0.4 0.924 114.6 46.7 -60.5 -49.4 40.2 30.1 76.8 100 99 A H H < S+ 0 0 46 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.746 111.0 53.1 -68.4 -22.2 39.7 33.7 77.8 101 100 A S H < S+ 0 0 0 -4,-1.8 269,-2.5 -3,-0.2 -1,-0.2 0.743 127.5 15.5 -83.2 -25.1 36.0 33.2 78.1 102 101 A K H < S+ 0 0 9 -4,-1.4 2,-0.3 -3,-0.4 -2,-0.2 0.681 104.7 78.4-122.0 -27.5 36.2 30.3 80.5 103 102 A L < + 0 0 2 -4,-3.1 2,-0.3 -5,-0.3 267,-0.1 -0.636 44.4 152.6 -98.8 153.8 39.6 29.7 82.1 104 103 A N > - 0 0 52 -2,-0.3 3,-1.9 23,-0.1 25,-0.3 -0.946 59.1 -76.7-160.0 177.7 41.2 31.5 85.0 105 104 A S T 3 S+ 0 0 90 1,-0.3 22,-0.1 -2,-0.3 -2,-0.0 0.615 123.6 50.8 -62.0 -14.7 43.7 31.1 87.8 106 105 A K T 3 S+ 0 0 188 22,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.317 107.1 51.8-106.7 6.9 41.2 29.0 89.9 107 106 A N < - 0 0 18 -3,-1.9 22,-2.3 20,-0.0 2,-0.3 -0.665 66.3-135.5-132.1-168.6 40.1 26.4 87.4 108 107 A A E -cd 129 154B 0 45,-2.2 47,-2.4 20,-0.2 48,-0.7 -0.885 1.9-141.3-146.0 172.2 41.4 23.9 84.9 109 108 A F E -cd 130 156B 1 20,-2.4 22,-2.7 -2,-0.3 2,-0.4 -0.899 17.3-137.1-136.6 157.4 41.3 22.3 81.4 110 109 A L E +cd 131 157B 0 46,-1.6 48,-2.3 -2,-0.3 2,-0.3 -0.949 27.7 155.3-121.3 140.9 41.7 18.7 80.2 111 110 A Q E -c 132 0B 6 20,-2.0 22,-1.8 -2,-0.4 48,-0.1 -0.953 44.0 -80.1-154.5 169.9 43.6 17.3 77.2 112 111 A A - 0 0 0 46,-0.3 3,-0.4 -2,-0.3 24,-0.2 -0.283 50.7-103.3 -68.1 158.6 45.3 14.2 75.7 113 112 A G S S+ 0 0 13 22,-2.2 2,-0.4 24,-0.3 23,-0.3 0.876 112.2 21.4 -54.1 -41.2 48.8 13.4 76.9 114 113 A V S S+ 0 0 14 22,-2.0 52,-0.3 21,-0.2 -1,-0.3 -0.830 86.4 125.1-136.3 101.7 50.3 14.8 73.6 115 114 A T - 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0 0 1 -40,-2.5 -1,-0.1 -2,-0.1 3,-0.1 -0.716 47.7-178.2 -79.5 118.0 39.4 63.7 52.4 711 347 B G - 0 0 0 -2,-0.7 -62,-0.1 1,-0.3 -306,-0.1 -0.052 35.2 -56.9 -97.5-160.8 38.7 61.8 49.1 712 348 B T > - 0 0 27 -308,-0.2 4,-2.7 1,-0.1 -1,-0.3 -0.270 58.9 -99.8 -73.9 167.8 39.6 62.4 45.5 713 349 B S H > S+ 0 0 71 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.851 126.1 51.3 -61.0 -32.5 38.7 65.7 43.9 714 350 B Y H > S+ 0 0 129 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.908 111.3 46.9 -68.4 -43.9 35.7 63.9 42.2 715 351 B E H > S+ 0 0 39 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.927 112.7 48.8 -63.8 -44.4 34.5 62.5 45.5 716 352 B N H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.857 107.7 54.4 -67.9 -34.7 34.9 65.8 47.4 717 353 B E H X S+ 0 0 112 -4,-1.6 4,-2.4 -5,-0.3 -1,-0.2 0.868 107.0 51.6 -63.7 -39.1 33.0 67.7 44.7 718 354 B K H X S+ 0 0 32 -4,-1.6 4,-2.5 2,-0.2 5,-0.3 0.905 110.2 49.9 -64.7 -41.9 30.0 65.3 45.0 719 355 B F H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 5,-0.4 0.958 112.0 46.0 -58.7 -51.6 30.0 65.8 48.7 720 356 B F H X S+ 0 0 20 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.892 112.9 50.8 -63.1 -39.8 30.0 69.6 48.4 721 357 B T H X S+ 0 0 73 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.953 118.3 36.4 -64.2 -46.3 27.3 69.6 45.7 722 358 B E H X S+ 0 0 62 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.929 117.3 49.6 -74.5 -42.4 25.0 67.4 47.8 723 359 B F H X S+ 0 0 0 -4,-3.1 4,-2.4 -5,-0.3 -1,-0.2 0.834 106.0 57.7 -65.4 -35.1 25.7 68.8 51.2 724 360 B D H X S+ 0 0 42 -4,-1.9 4,-0.7 -5,-0.4 -1,-0.2 0.942 110.4 44.0 -59.1 -44.9 25.2 72.3 49.9 725 361 B K H >< S+ 0 0 55 -4,-1.3 3,-0.9 1,-0.2 -2,-0.2 0.919 112.1 53.2 -66.0 -42.8 21.7 71.3 48.8 726 362 B I H 3< S+ 0 0 24 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.861 105.3 54.8 -60.6 -37.0 21.1 69.5 52.2 727 363 B L H 3< 0 0 23 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.663 360.0 360.0 -74.2 -18.5 22.1 72.6 54.2 728 364 B R << 0 0 232 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.1 0.577 360.0 360.0 -64.2 360.0 19.5 74.9 52.4