==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-JUN-07 2V3E . COMPND 2 MOLECULE: GLUCOSYLCERAMIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.BRUMSHTEIN,H.M.GREENBLATT,T.D.BUTTERS,Y.SHAALTIEL, . 996 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 663 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 142 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 54 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 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 0 2 3 2 0 4 3 2 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 4 4 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 PARALLEL BRIDGES PER LADDER . 4 4 3 3 0 5 7 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 0 2 0 0 0 2 2 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 -1 A E 0 0 65 0, 0.0 2,-0.4 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 32.1 12.5 28.7 28.5 2 0 A F - 0 0 144 27,-0.2 27,-0.2 112,-0.0 2,-0.1 -0.979 360.0-121.1-116.1 132.0 9.9 31.2 27.3 3 1 A A + 0 0 51 -2,-0.4 25,-0.2 23,-0.1 23,-0.1 -0.482 34.9 177.2 -59.9 133.2 8.5 31.6 23.7 4 2 A R B -A 27 0A 98 23,-1.6 23,-1.7 -2,-0.1 3,-0.1 -0.978 23.5-127.3-137.4 128.4 9.3 35.1 22.4 5 3 A P - 0 0 95 0, 0.0 2,-0.1 0, 0.0 23,-0.0 -0.286 29.6 -85.8 -77.6 164.5 8.3 35.9 18.9 6 4 A a - 0 0 23 44,-0.1 12,-0.1 42,-0.1 14,-0.1 -0.406 29.8-141.0 -52.0 130.0 10.3 37.4 16.1 7 5 A I - 0 0 77 12,-0.4 12,-2.7 -2,-0.1 -1,-0.1 -0.910 33.8-143.6 -89.8 98.9 10.4 41.2 16.1 8 6 A P E +B 18 0B 82 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.352 24.7 179.6 -74.0 147.1 10.2 41.6 12.4 9 7 A K E -B 17 0B 81 8,-1.8 8,-2.6 -2,-0.0 2,-0.3 -0.949 13.1-152.3-143.6 127.8 12.0 44.2 10.4 10 8 A S - 0 0 71 -2,-0.3 6,-0.1 6,-0.2 347,-0.1 -0.694 14.5-177.7 -89.8 148.2 12.0 44.8 6.6 11 9 A F S S- 0 0 72 4,-0.5 345,-0.1 345,-0.5 -1,-0.1 0.007 70.5 -84.1-127.2 20.7 14.8 46.4 4.7 12 10 A G S S+ 0 0 65 1,-0.3 345,-0.1 3,-0.1 4,-0.1 0.463 96.4 115.8 90.9 3.4 12.9 46.3 1.4 13 11 A Y S S- 0 0 73 343,-0.5 -1,-0.3 2,-0.3 345,-0.1 -0.175 84.8 -77.6 -92.6-166.6 13.8 42.7 0.5 14 12 A S S S+ 0 0 56 -3,-0.1 2,-0.2 -2,-0.1 344,-0.2 0.738 105.9 3.8 -68.4 -24.5 11.5 39.7 0.1 15 13 A S S S- 0 0 6 342,-1.1 -4,-0.5 341,-0.1 -2,-0.3 -0.710 81.5 -86.6-145.8-170.9 11.1 38.9 3.8 16 14 A V - 0 0 29 30,-0.3 2,-0.3 -2,-0.2 -6,-0.2 -0.685 21.8-137.0-106.2 157.2 11.9 40.2 7.3 17 15 A V E -B 9 0B 0 -8,-2.6 -8,-1.8 -2,-0.2 2,-0.6 -0.681 27.0-116.7 -95.9 167.5 14.8 39.8 9.7 18 16 A a E -BC 8 415B 0 397,-2.2 397,-2.6 -2,-0.3 2,-0.4 -0.936 27.5-138.5-107.8 123.6 14.2 39.2 13.4 19 17 A V E + C 0 414B 26 -12,-2.7 -12,-0.4 -2,-0.6 2,-0.3 -0.655 25.3 175.7 -86.9 130.4 15.6 42.0 15.6 20 18 A b E + C 0 413B 0 393,-2.6 393,-2.1 -2,-0.4 5,-0.2 -0.931 3.0 163.9-129.8 154.9 17.4 41.1 18.8 21 19 A N - 0 0 58 3,-2.7 391,-0.2 -2,-0.3 84,-0.1 -0.655 57.0 -58.4-147.2-160.2 19.3 43.3 21.3 22 20 A A S S+ 0 0 28 389,-0.4 3,-0.1 -2,-0.2 82,-0.1 0.688 132.7 25.4 -62.7 -23.1 20.7 43.2 24.9 23 21 A T S S+ 0 0 124 1,-0.2 2,-0.4 79,-0.0 -1,-0.2 0.431 119.7 47.8-125.0 -4.0 17.2 42.4 26.5 24 22 A Y + 0 0 57 -3,-0.1 -3,-2.7 2,-0.0 2,-0.3 -0.977 45.7 150.7-146.3 134.3 15.3 40.7 23.8 25 23 A b - 0 0 6 -2,-0.4 -5,-0.1 -5,-0.2 -19,-0.1 -0.955 48.8-100.6-152.8 142.1 15.7 37.9 21.3 26 24 A D + 0 0 18 -2,-0.3 2,-0.3 -7,-0.2 -20,-0.1 -0.361 53.6 162.7 -57.6 142.1 13.1 35.5 19.7 27 25 A S B -A 4 0A 28 -23,-1.7 -23,-1.6 -25,-0.1 2,-0.2 -0.896 32.3 -94.7-155.3 175.1 13.2 32.0 21.4 28 26 A F - 0 0 39 86,-1.0 24,-0.0 -2,-0.3 23,-0.0 -0.688 30.2-111.9-103.8 154.1 11.3 28.8 21.9 29 27 A D - 0 0 105 -2,-0.2 -27,-0.2 -27,-0.2 -1,-0.1 -0.318 53.6 -85.1 -66.4 164.7 8.9 27.5 24.6 30 28 A P S S- 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -27,-0.1 -0.401 71.8 -48.9 -74.3 151.9 10.2 24.6 26.6 31 29 A P 0 0 116 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.341 360.0 360.0 -48.6 136.7 9.9 21.0 25.4 32 30 A T 0 0 114 -3,-0.1 0, 0.0 0, 0.0 0, 0.0 0.507 360.0 360.0-154.0 360.0 7.3 19.9 24.4 33 ! 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 34 32 A P 0 0 76 0, 0.0 2,-0.3 0, 0.0 462,-0.0 0.000 360.0 360.0 360.0-170.0 4.5 15.4 22.9 35 33 A A > - 0 0 66 1,-0.1 3,-1.1 4,-0.0 462,-0.2 -0.778 360.0-105.4-102.5 144.3 1.6 12.9 22.8 36 34 A L T 3 S+ 0 0 114 -2,-0.3 3,-0.1 1,-0.2 462,-0.1 -0.335 102.4 35.2 -66.6 147.4 1.5 9.7 20.5 37 35 A G T 3 S+ 0 0 42 460,-0.4 21,-2.5 1,-0.3 2,-0.3 0.436 104.7 88.4 84.1 2.9 -0.8 9.8 17.5 38 36 A T E < -F 57 0C 48 -3,-1.1 459,-0.5 19,-0.2 2,-0.3 -0.923 64.0-143.4-126.1 152.6 -0.1 13.5 16.9 39 37 A F E -F 56 0C 3 17,-2.8 17,-1.8 -2,-0.3 2,-0.4 -0.858 8.6-135.6-111.8 152.0 2.6 15.3 14.9 40 38 A S E -FG 55 495C 9 455,-2.9 455,-2.9 -2,-0.3 2,-0.4 -0.878 18.8-166.2 -98.0 140.1 4.5 18.6 15.6 41 39 A R E -FG 54 494C 38 13,-2.8 13,-2.2 -2,-0.4 2,-0.5 -0.999 7.2-164.6-122.9 126.9 5.0 21.0 12.7 42 40 A Y E -FG 53 493C 22 451,-2.7 451,-2.2 -2,-0.4 2,-0.4 -0.967 18.9-168.7-103.8 130.2 7.5 24.0 12.7 43 41 A E E +FG 52 492C 31 9,-2.0 9,-2.8 -2,-0.5 2,-0.4 -0.964 18.3 179.7-128.4 137.4 6.8 26.5 10.0 44 42 A S E - G 0 491C 0 447,-2.4 447,-2.2 -2,-0.4 2,-0.3 -0.996 14.2-174.0-129.7 137.7 8.7 29.4 8.6 45 43 A T E > - G 0 490C 8 4,-1.9 3,-1.5 -2,-0.4 445,-0.2 -0.931 40.0-123.6-131.7 151.6 7.3 31.6 5.7 46 44 A R T 3 S+ 0 0 103 443,-2.1 -30,-0.3 -2,-0.3 -1,-0.1 0.867 113.1 68.0 -53.1 -36.1 8.4 34.4 3.5 47 45 A S T 3 S- 0 0 106 442,-0.3 -1,-0.2 -32,-0.1 443,-0.1 0.651 130.7 -89.0 -66.1 -13.7 5.2 36.2 4.8 48 46 A G S < S+ 0 0 23 -3,-1.5 2,-0.2 1,-0.3 -2,-0.1 0.415 76.9 141.8 128.2 -3.6 7.0 36.2 8.2 49 47 A R - 0 0 111 1,-0.1 -4,-1.9 3,-0.0 2,-0.5 -0.486 34.1-157.3 -67.7 136.9 6.3 33.1 10.2 50 48 A R - 0 0 20 -6,-0.2 -6,-0.2 -2,-0.2 -44,-0.1 -0.879 62.0 -47.7-125.5 96.2 9.5 32.1 12.1 51 49 A M S S- 0 0 6 -2,-0.5 2,-0.3 1,-0.2 -7,-0.2 0.866 80.2-175.7 46.9 45.7 9.7 28.4 13.1 52 50 A E E -F 43 0C 89 -9,-2.8 -9,-2.0 1,-0.1 2,-0.3 -0.598 18.2-128.9 -76.7 133.8 6.1 28.6 14.5 53 51 A L E +F 42 0C 83 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.581 36.2 154.9 -87.9 134.5 4.9 25.4 16.3 54 52 A S E -F 41 0C 41 -13,-2.2 -13,-2.8 -2,-0.3 2,-0.3 -0.912 23.7-143.7-144.8 173.1 1.6 23.7 15.5 55 53 A M E -F 40 0C 94 -2,-0.3 -15,-0.2 -15,-0.2 -17,-0.0 -0.929 13.8-179.5-139.0 160.4 0.3 20.2 15.9 56 54 A G E -F 39 0C 11 -17,-1.8 -17,-2.8 -2,-0.3 2,-0.2 -0.966 30.1 -93.7-153.5 166.8 -2.0 17.8 14.0 57 55 A P E -F 38 0C 74 0, 0.0 426,-0.6 0, 0.0 2,-0.6 -0.567 24.6-135.2 -84.3 151.3 -3.5 14.3 14.1 58 56 A I E -H 482 0C 25 -21,-2.5 2,-0.2 -2,-0.2 424,-0.2 -0.942 28.3-147.4-100.3 115.7 -2.0 11.3 12.4 59 57 A Q E -H 481 0C 71 422,-2.7 422,-2.9 -2,-0.6 -22,-0.0 -0.626 15.2-136.5 -90.5 151.9 -4.9 9.4 10.7 60 58 A A S S+ 0 0 77 -2,-0.2 2,-0.3 420,-0.2 -1,-0.1 0.808 87.7 30.2 -72.5 -32.1 -5.2 5.6 10.2 61 59 A N - 0 0 132 420,-0.1 2,-0.3 419,-0.0 420,-0.1 -0.848 60.5-167.1-128.2 163.6 -6.4 6.0 6.6 62 60 A H + 0 0 43 -2,-0.3 2,-0.3 418,-0.0 411,-0.0 -0.986 5.5 178.6-146.2 139.5 -6.0 8.3 3.6 63 61 A T + 0 0 141 -2,-0.3 2,-0.2 0, 0.0 -2,-0.0 -0.986 34.4 84.6-139.9 146.9 -7.8 8.6 0.3 64 62 A G S S- 0 0 52 -2,-0.3 -2,-0.0 2,-0.1 0, 0.0 -0.720 70.4-107.2 145.2 165.2 -7.3 11.1 -2.5 65 63 A T S S+ 0 0 138 -2,-0.2 3,-0.1 2,-0.0 -1,-0.0 0.119 76.8 118.2-106.8 17.1 -5.1 11.6 -5.6 66 64 A G S S- 0 0 38 1,-0.2 406,-0.1 -3,-0.0 2,-0.1 -0.149 79.7 -62.2 -74.9 175.2 -3.0 14.4 -4.0 67 65 A L E -i 472 0C 6 404,-0.6 406,-2.0 374,-0.1 2,-0.4 -0.395 53.2-166.6 -59.6 129.3 0.7 14.3 -3.4 68 66 A L E -i 473 0C 31 404,-0.2 373,-2.2 -3,-0.1 2,-0.6 -0.993 9.0-161.0-119.5 128.0 1.7 11.5 -1.0 69 67 A L E -iJ 474 440C 6 404,-3.3 406,-3.3 -2,-0.4 2,-0.6 -0.941 14.9-158.0-102.7 116.5 5.2 11.3 0.5 70 68 A T E -iJ 475 439C 34 369,-3.3 369,-2.3 -2,-0.6 406,-0.2 -0.867 8.4-139.0-105.8 119.7 5.9 7.8 1.8 71 69 A L E - J 0 438C 3 404,-3.2 367,-0.3 -2,-0.6 3,-0.1 -0.422 9.4-163.4 -63.3 140.3 8.5 7.2 4.5 72 70 A Q E > + J 0 437C 61 365,-2.7 3,-1.8 3,-0.2 365,-1.5 -0.735 12.1 176.0-124.0 80.3 10.6 4.0 3.9 73 71 A P E 3 S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 379,-0.0 0.698 75.9 58.7 -65.2 -20.9 12.1 3.5 7.4 74 72 A E E 3 S+ 0 0 124 -3,-0.1 2,-1.0 1,-0.1 -3,-0.0 0.565 86.3 86.2 -77.5 -16.8 13.8 0.2 6.4 75 73 A Q E < - 0 0 88 -3,-1.8 362,-1.3 362,-0.1 2,-0.4 -0.801 69.9-173.0 -89.3 98.6 15.8 2.1 3.7 76 74 A K E + J 0 436C 98 -2,-1.0 360,-0.2 360,-0.2 3,-0.1 -0.823 14.6 160.2-106.2 133.1 18.7 3.3 5.7 77 75 A F E - 0 0 68 358,-3.1 -1,-0.1 -2,-0.4 2,-0.1 0.069 47.0 -10.8-120.1-132.7 21.4 5.7 4.5 78 76 A Q E - 0 0 20 295,-0.2 357,-2.5 356,-0.1 2,-0.3 -0.320 54.4-125.3 -76.6 150.3 24.0 8.0 6.3 79 77 A K E - J 0 434C 129 355,-0.2 2,-0.3 297,-0.1 355,-0.2 -0.739 33.2-116.1 -85.9 142.1 24.2 9.0 9.9 80 78 A V - 0 0 4 353,-3.1 352,-3.0 -2,-0.3 353,-0.2 -0.624 24.7-173.9 -85.7 132.7 24.3 12.7 10.6 81 79 A K - 0 0 29 297,-3.6 2,-0.3 -2,-0.3 298,-0.2 0.834 51.6-124.2 -84.1 -46.4 27.4 14.3 12.2 82 80 A G E -o 379 0D 0 296,-1.5 298,-1.8 348,-0.1 2,-0.3 -0.964 19.4 -66.4 143.8-154.6 25.5 17.7 12.4 83 81 A F E +o 380 0D 1 -2,-0.3 36,-2.3 296,-0.2 37,-1.2 -0.960 47.9 114.0-142.9 149.2 25.4 21.4 11.6 84 82 A G E -op 381 120D 0 296,-1.4 298,-3.2 -2,-0.3 2,-0.2 -0.934 37.8-111.7 179.2-154.6 27.1 24.6 12.4 85 83 A G E - p 0 121D 0 35,-1.4 37,-2.2 -2,-0.3 2,-0.5 -0.883 36.3 -70.2-157.4-171.9 29.2 27.6 11.2 86 84 A A E -op 384 122D 0 297,-2.8 299,-2.0 -2,-0.2 2,-1.4 -0.794 15.0-152.0-108.9 130.8 32.6 29.2 11.4 87 85 A M + 0 0 0 35,-2.5 2,-0.1 -2,-0.5 297,-0.1 -0.624 38.9 165.3 -90.4 75.2 34.3 31.1 14.2 88 86 A T > - 0 0 0 -2,-1.4 4,-2.4 35,-0.1 5,-0.2 -0.326 55.0-102.6 -77.9 166.9 36.4 33.4 11.9 89 87 A D H > S+ 0 0 6 41,-0.6 4,-2.4 2,-0.2 42,-0.2 0.900 125.2 52.3 -54.9 -42.1 38.2 36.5 13.2 90 88 A A H > S+ 0 0 0 40,-2.0 4,-2.4 2,-0.2 5,-0.2 0.926 108.9 48.0 -64.8 -44.6 35.4 38.5 11.6 91 89 A A H > S+ 0 0 0 39,-0.2 4,-2.9 2,-0.2 5,-0.2 0.935 112.8 48.5 -59.8 -49.5 32.6 36.6 13.3 92 90 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.900 111.8 49.5 -53.4 -47.8 34.4 36.9 16.7 93 91 A L H X S+ 0 0 60 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.926 113.5 46.3 -61.3 -45.2 34.9 40.7 16.3 94 92 A N H >< S+ 0 0 10 -4,-2.4 3,-0.5 292,-0.2 4,-0.4 0.925 113.7 47.2 -63.3 -48.2 31.2 41.1 15.3 95 93 A I H >< S+ 0 0 0 -4,-2.9 3,-1.5 1,-0.2 -2,-0.2 0.950 113.8 48.7 -57.4 -45.8 29.9 39.0 18.2 96 94 A L H 3< S+ 0 0 60 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.614 96.1 71.5 -76.1 -11.1 32.2 40.8 20.7 97 95 A A T << S+ 0 0 41 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.627 86.4 84.3 -74.4 -19.0 31.1 44.2 19.4 98 96 A L S < S- 0 0 4 -3,-1.5 310,-0.1 -4,-0.4 -77,-0.0 -0.493 97.9 -96.0 -78.5 154.4 27.7 43.6 21.1 99 97 A S >> - 0 0 37 -2,-0.2 4,-2.3 1,-0.1 3,-0.7 -0.397 46.8-103.4 -62.2 149.2 27.2 44.3 24.8 100 98 A P H 3> S+ 0 0 80 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.865 120.6 53.6 -54.7 -37.3 27.7 41.1 26.8 101 99 A P H 3> S+ 0 0 66 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.888 111.9 45.6 -60.9 -37.4 24.0 40.4 27.3 102 100 A A H <> S+ 0 0 0 -3,-0.7 4,-2.0 2,-0.2 5,-0.2 0.866 109.0 57.1 -69.8 -38.2 23.3 40.7 23.5 103 101 A Q H X S+ 0 0 12 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.874 106.3 50.2 -53.0 -45.7 26.4 38.5 22.9 104 102 A N H X S+ 0 0 76 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.883 108.8 50.6 -64.9 -41.5 24.8 35.8 25.1 105 103 A L H X S+ 0 0 47 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.844 112.1 47.9 -65.5 -34.8 21.5 36.0 23.2 106 104 A L H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.951 113.3 46.8 -67.7 -48.7 23.4 35.6 19.9 107 105 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.4 0.919 113.6 49.7 -61.7 -40.4 25.4 32.6 21.3 108 106 A K H X S+ 0 0 73 -4,-2.8 4,-1.9 2,-0.2 9,-0.3 0.894 102.0 61.4 -61.8 -45.0 22.2 31.1 22.6 109 107 A S H < S+ 0 0 6 -4,-2.0 7,-2.6 6,-0.2 -1,-0.2 0.909 119.8 26.9 -45.3 -48.0 20.4 31.5 19.3 110 108 A Y H < S+ 0 0 0 -4,-1.5 8,-3.2 5,-0.2 -2,-0.2 0.926 133.1 27.3 -79.5 -50.8 23.0 29.2 17.7 111 109 A F H < S+ 0 0 1 -4,-2.8 60,-0.4 6,-0.2 61,-0.3 0.568 98.0 84.2-104.8 -14.7 24.3 26.9 20.4 112 110 A S S ><>S- 0 0 9 -4,-1.9 5,-1.9 -5,-0.4 3,-1.4 -0.567 76.8-125.5 -90.8 155.6 21.6 26.5 23.0 113 111 A E T 3 5S+ 0 0 54 56,-0.4 -1,-0.1 1,-0.3 57,-0.1 0.673 117.5 63.8 -65.8 -18.5 18.7 24.0 22.9 114 112 A E T 3 5S+ 0 0 76 -6,-0.1 -86,-1.0 -87,-0.1 -1,-0.3 0.545 114.0 33.1 -82.0 -7.2 16.7 27.2 23.4 115 113 A G T < 5S- 0 0 5 -3,-1.4 -5,-0.2 -7,-0.2 -6,-0.2 0.030 125.9 -54.4-112.5-132.3 18.1 28.3 20.0 116 114 A I T 5 - 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