==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE(INTRAMOLECULAR OXIDOREDUCTASE)03-FEB-94 1TPB . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR Z.ZHANG,S.SUGIO,E.A.KOMIVES,K.D.LIU,J.R.KNOWLES,G.A.PETSKO,D . 490 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19413.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 38 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 7 3 4 0 0 0 0 0 6 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 3 5 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 4 1 R 0 0 128 0, 0.0 2,-0.3 0, 0.0 200,-0.1 0.000 360.0 360.0 360.0 123.1 29.6 25.0 -0.3 2 5 1 K - 0 0 108 198,-0.2 32,-0.1 1,-0.1 2,-0.1 -0.507 360.0-107.8 -72.0 130.6 27.9 28.4 -0.0 3 6 1 F E -a 34 0A 15 30,-0.7 32,-3.5 -2,-0.3 2,-0.5 -0.398 39.4-158.2 -56.9 132.2 28.8 30.2 3.2 4 7 1 F E -ab 35 225A 0 220,-2.8 222,-1.2 30,-0.2 2,-0.5 -0.986 15.2-177.2-125.5 125.0 25.8 30.2 5.5 5 8 1 V E -ab 36 226A 0 30,-2.8 32,-1.7 -2,-0.5 2,-0.4 -0.976 4.4-173.3-125.7 116.3 25.2 32.5 8.4 6 9 1 G E -ab 37 227A 1 220,-2.8 222,-3.2 -2,-0.5 2,-0.6 -0.860 11.5-152.4-104.7 135.4 22.1 32.1 10.6 7 10 1 G E -ab 38 228A 1 30,-3.1 32,-4.1 -2,-0.4 2,-0.8 -0.952 5.7-159.8-111.2 124.1 21.1 34.6 13.3 8 11 1 N E -a 39 0A 2 220,-4.1 224,-0.2 -2,-0.6 32,-0.1 -0.839 8.8-175.2-105.2 95.4 19.2 33.1 16.3 9 12 1 W - 0 0 1 30,-1.6 -1,-0.1 -2,-0.8 31,-0.1 0.656 20.3-172.4 -62.9 -19.7 17.4 35.9 18.0 10 13 1 K - 0 0 16 29,-0.3 2,-1.3 1,-0.2 306,-0.2 -0.236 61.9 -20.0 54.7-146.3 16.2 33.5 20.7 11 14 1 M B S+I 315 0B 0 304,-1.9 304,-1.7 310,-0.1 2,-0.3 -0.610 108.8 112.0 -95.7 72.9 13.7 35.1 23.2 12 15 1 N + 0 0 34 -2,-1.3 302,-0.1 302,-0.2 2,-0.1 -0.989 43.6 32.2-144.1 149.7 14.5 38.7 22.4 13 16 1 G - 0 0 23 -2,-0.3 2,-0.3 4,-0.0 220,-0.0 -0.122 43.4-134.8 99.0 172.0 12.9 41.7 20.9 14 17 1 D > - 0 0 64 -2,-0.1 4,-2.7 314,-0.0 5,-0.3 -0.788 48.8 -82.9-148.4 178.5 9.7 43.6 20.2 15 18 1 K H > S+ 0 0 57 -2,-0.3 4,-1.4 2,-0.2 5,-0.1 0.815 125.8 50.3 -62.6 -36.0 8.4 45.2 17.0 16 19 1 K H > S+ 0 0 152 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.965 116.4 38.3 -66.4 -51.5 10.4 48.5 17.6 17 20 1 S H > S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.875 119.9 45.9 -71.0 -40.1 13.8 46.9 18.2 18 21 1 L H X S+ 0 0 2 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.847 108.6 58.8 -69.4 -33.0 13.4 44.1 15.6 19 22 1 G H X S+ 0 0 24 -4,-1.4 4,-2.3 -5,-0.3 -2,-0.2 0.938 109.3 43.3 -56.3 -46.4 12.1 46.8 13.1 20 23 1 E H X S+ 0 0 99 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.902 112.3 51.9 -67.0 -44.2 15.4 48.7 13.5 21 24 1 L H X S+ 0 0 17 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.933 112.8 46.8 -56.7 -46.6 17.5 45.6 13.3 22 25 1 I H X S+ 0 0 3 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.892 108.4 54.2 -63.8 -40.9 15.7 44.7 10.1 23 26 1 H H X S+ 0 0 152 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.930 110.1 49.3 -58.6 -47.4 16.0 48.2 8.7 24 27 1 T H X S+ 0 0 65 -4,-2.9 4,-1.3 1,-0.2 3,-0.4 0.894 112.2 46.9 -57.3 -50.4 19.8 47.9 9.3 25 28 1 L H < S+ 0 0 5 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.836 108.6 53.5 -61.9 -42.3 20.0 44.5 7.6 26 29 1 N H < S+ 0 0 67 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.747 115.6 42.2 -65.8 -26.7 18.0 45.5 4.5 27 30 1 G H < S+ 0 0 70 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.605 93.8 103.1 -92.4 -17.4 20.3 48.5 4.0 28 31 1 A S < S- 0 0 32 -4,-1.3 2,-1.1 -3,-0.2 -3,-0.0 -0.128 78.9-112.6 -65.2 158.9 23.7 46.8 4.7 29 32 1 K - 0 0 189 3,-0.0 2,-0.4 213,-0.0 -1,-0.1 -0.804 45.6-177.1 -96.5 95.2 26.2 45.7 2.1 30 33 1 L - 0 0 44 -2,-1.1 209,-0.1 -5,-0.1 208,-0.0 -0.800 34.0 -97.2 -97.7 139.1 26.0 41.9 2.5 31 34 1 S > - 0 0 13 -2,-0.4 3,-1.5 1,-0.2 -1,-0.1 -0.273 21.6-139.7 -57.5 135.0 28.2 39.5 0.5 32 35 1 A T 3 S+ 0 0 91 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.668 102.2 58.8 -66.2 -17.0 26.4 38.1 -2.5 33 36 1 D T 3 S+ 0 0 111 2,-0.0 -30,-0.7 -31,-0.0 2,-0.5 0.401 87.0 87.1 -97.9 -0.3 28.0 34.8 -1.6 34 37 1 T E < -a 3 0A 13 -3,-1.5 2,-0.6 -32,-0.1 -30,-0.2 -0.923 67.5-142.2-106.2 127.7 26.6 34.4 1.9 35 38 1 E E -a 4 0A 51 -32,-3.5 -30,-2.8 -2,-0.5 2,-0.4 -0.759 25.0-160.7 -85.7 120.4 23.3 32.7 2.5 36 39 1 V E +a 5 0A 9 -2,-0.6 21,-2.7 19,-0.4 2,-0.3 -0.912 16.0 175.1-110.0 136.0 21.6 34.6 5.4 37 40 1 V E -ac 6 57A 2 -32,-1.7 -30,-3.1 -2,-0.4 2,-0.5 -0.998 16.2-152.5-136.9 129.6 18.7 33.3 7.6 38 41 1 C E -ac 7 58A 1 19,-2.8 21,-2.6 -2,-0.3 2,-0.8 -0.947 9.3-147.7-106.3 126.8 17.2 35.1 10.7 39 42 1 G E -ac 8 59A 1 -32,-4.1 -30,-1.6 -2,-0.5 -29,-0.3 -0.845 26.0-172.1 -95.5 100.2 15.6 32.9 13.4 40 43 1 A - 0 0 0 19,-1.5 21,-0.5 -2,-0.8 5,-0.1 -0.619 32.5 -93.6 -99.7 153.7 12.7 34.9 14.9 41 44 1 P > - 0 0 1 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.336 43.4-115.6 -56.7 141.7 10.4 34.4 17.9 42 45 1 S G > S+ 0 0 18 1,-0.3 3,-2.0 2,-0.2 4,-0.5 0.902 115.5 60.6 -47.9 -47.4 7.3 32.6 16.6 43 46 1 I G 3 S+ 0 0 3 1,-0.3 249,-0.3 2,-0.1 -1,-0.3 0.744 111.7 39.5 -53.7 -28.2 5.2 35.6 17.6 44 47 1 Y G <> S+ 0 0 0 -3,-2.2 4,-2.4 1,-0.1 -1,-0.3 0.306 82.9 101.0-108.6 12.2 7.2 37.7 15.2 45 48 1 L H <> S+ 0 0 0 -3,-2.0 4,-2.5 -4,-0.4 5,-0.2 0.881 85.9 46.8 -63.4 -41.6 7.7 35.4 12.2 46 49 1 D H > S+ 0 0 15 -4,-0.5 4,-2.5 243,-0.3 -1,-0.2 0.968 114.6 47.6 -61.6 -50.3 5.0 37.0 10.0 47 50 1 F H > S+ 0 0 21 -4,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.921 113.7 47.5 -54.5 -49.6 6.3 40.5 10.8 48 51 1 A H X S+ 0 0 1 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.904 111.5 48.9 -62.9 -45.6 9.9 39.5 10.1 49 52 1 R H < S+ 0 0 49 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.905 113.1 49.9 -64.0 -35.7 9.1 37.8 6.8 50 53 1 Q H < S+ 0 0 120 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.880 118.8 37.0 -66.3 -39.8 7.0 40.9 5.9 51 54 1 K H < S+ 0 0 112 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.813 97.1 84.2 -85.5 -39.9 9.8 43.3 6.7 52 55 1 L S < S- 0 0 7 -4,-3.0 -29,-0.1 -5,-0.2 -30,-0.0 -0.437 89.0 -98.4 -69.5 143.5 13.1 41.5 5.6 53 56 1 D > - 0 0 56 -31,-0.2 3,-2.3 -2,-0.1 -1,-0.1 -0.221 35.3-115.3 -53.5 147.8 14.3 41.7 2.0 54 57 1 A T 3 S+ 0 0 79 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.704 112.8 70.9 -58.5 -25.3 13.3 38.5 0.1 55 58 1 K T 3 S+ 0 0 164 2,-0.1 2,-0.5 -20,-0.0 -19,-0.4 0.621 89.4 72.4 -67.0 -21.2 17.1 37.7 -0.2 56 59 1 I S < S- 0 0 8 -3,-2.3 -19,-0.2 -21,-0.1 2,-0.1 -0.892 81.0-137.0-103.8 127.6 17.2 36.9 3.5 57 60 1 G E -c 37 0A 16 -21,-2.7 -19,-2.8 -2,-0.5 2,-0.4 -0.399 8.1-139.8 -80.9 159.0 15.5 33.8 4.8 58 61 1 V E -c 38 0A 1 -21,-0.2 28,-1.8 26,-0.2 29,-1.5 -0.970 16.3-168.1-121.0 135.5 13.4 33.4 7.9 59 62 1 A E -cd 39 87A 0 -21,-2.6 -19,-1.5 -2,-0.4 29,-0.3 -0.941 19.1-131.8-124.4 146.6 13.5 30.5 10.2 60 63 1 A E - d 0 88A 0 27,-2.0 29,-2.2 -2,-0.4 3,-0.1 -0.583 20.6-132.7 -81.6 155.2 11.2 29.4 13.1 61 64 1 Q S S- 0 0 5 -21,-0.5 2,-0.3 27,-0.2 31,-0.2 0.390 80.3 -11.3 -90.5 -2.3 13.1 28.5 16.3 62 65 1 N - 0 0 13 28,-0.1 2,-0.3 257,-0.1 -1,-0.2 -0.914 60.0-172.8 177.1 162.4 11.2 25.2 16.8 63 66 1 C - 0 0 0 -2,-0.3 13,-0.2 -3,-0.1 2,-0.2 -0.933 24.9-110.5-162.1 169.3 8.2 23.2 15.6 64 67 1 Y - 0 0 20 11,-2.3 -2,-0.0 -2,-0.3 49,-0.0 -0.420 31.4-108.7-101.0 177.0 6.2 20.0 16.5 65 68 1 K S S+ 0 0 61 -2,-0.2 11,-0.1 11,-0.1 3,-0.0 0.194 90.8 53.9 -99.9 14.4 6.1 16.8 14.5 66 69 1 V S S- 0 0 51 1,-0.0 -2,-0.2 3,-0.0 12,-0.1 -0.922 81.0-118.5-139.1 159.4 2.5 16.7 13.1 67 70 1 P S S- 0 0 60 0, 0.0 2,-0.3 0, 0.0 12,-0.2 0.784 87.3 -10.6 -72.8 -26.7 0.6 19.2 10.9 68 71 1 K S S+ 0 0 145 7,-0.1 2,-0.3 190,-0.1 190,-0.2 -0.979 76.3 97.3-163.6 169.0 -2.2 19.9 13.4 69 72 1 G B S-J 257 0C 19 188,-2.3 188,-1.9 -2,-0.3 2,-1.7 -0.910 73.3 -27.9 144.6-171.8 -3.8 18.7 16.6 70 73 1 A S S+ 0 0 47 -2,-0.3 2,-0.4 186,-0.2 186,-0.1 -0.593 77.4 124.2 -84.6 67.6 -4.2 19.0 20.3 71 74 1 F > - 0 0 44 -2,-1.7 3,-2.0 3,-0.1 2,-0.1 -0.799 50.0-154.3-129.4 79.7 -0.8 20.4 21.2 72 75 1 T T 3 S+ 0 0 0 -2,-0.4 3,-0.1 1,-0.3 -2,-0.1 -0.394 79.6 21.4 -57.0 129.5 -1.5 23.6 23.1 73 76 1 G T 3 S+ 0 0 23 1,-0.3 -1,-0.3 -2,-0.1 2,-0.2 0.213 102.0 107.5 97.3 -13.3 1.5 26.0 22.7 74 77 1 E < - 0 0 12 -3,-2.0 2,-0.3 233,-0.1 -1,-0.3 -0.580 49.2-154.7-103.0 163.3 3.0 24.4 19.5 75 78 1 I - 0 0 12 -2,-0.2 -11,-2.3 -3,-0.1 -7,-0.1 -0.936 14.1-141.4-128.0 153.0 3.4 25.3 15.9 76 79 1 S >> - 0 0 0 -2,-0.3 4,-1.9 -13,-0.2 3,-0.5 -0.738 29.2-106.9-115.4 161.2 3.8 23.1 12.9 77 80 1 P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.850 118.0 61.9 -50.6 -38.1 5.8 23.1 9.7 78 81 1 A H 3> S+ 0 0 39 1,-0.2 4,-1.9 2,-0.2 -10,-0.1 0.921 106.8 43.6 -58.5 -43.9 2.5 23.8 7.8 79 82 1 M H <> S+ 0 0 4 -3,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.864 111.4 54.0 -67.1 -39.7 2.0 27.1 9.7 80 83 1 I H X>S+ 0 0 0 -4,-1.9 5,-1.9 1,-0.2 4,-0.6 0.909 111.4 45.5 -62.7 -43.1 5.6 28.1 9.3 81 84 1 K H ><5S+ 0 0 126 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.893 105.9 62.0 -65.7 -39.2 5.3 27.6 5.5 82 85 1 D H 3<5S+ 0 0 62 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.799 104.1 47.5 -53.1 -39.8 2.0 29.5 5.6 83 86 1 I H 3<5S- 0 0 11 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.537 121.4-106.8 -79.8 -16.9 3.8 32.6 6.8 84 87 1 G T <<5S+ 0 0 39 -3,-1.1 -26,-0.2 -4,-0.6 -3,-0.2 0.563 71.9 140.3 99.2 12.5 6.5 32.3 4.2 85 88 1 A < - 0 0 5 -5,-1.9 -1,-0.3 1,-0.1 -26,-0.2 -0.531 32.6-166.4 -83.6 150.0 9.4 31.2 6.4 86 89 1 A + 0 0 52 -28,-1.8 33,-2.8 -2,-0.2 2,-0.3 0.482 59.1 46.6-119.1 -0.7 11.5 28.5 4.8 87 90 1 W E -de 59 119A 24 -29,-1.5 -27,-2.0 31,-0.2 2,-0.3 -0.895 54.2-159.9-135.6 166.5 13.7 27.0 7.6 88 91 1 V E -de 60 120A 0 31,-1.3 33,-2.5 -2,-0.3 2,-0.5 -0.974 19.0-133.7-145.9 142.6 13.4 25.8 11.2 89 92 1 I E - e 0 121A 3 -29,-2.2 2,-0.4 -2,-0.3 33,-0.2 -0.859 32.3-175.7 -93.7 121.1 16.1 25.4 13.8 90 93 1 L E + e 0 122A 1 31,-2.5 33,-2.2 -2,-0.5 -28,-0.1 -0.962 56.1 16.4-122.6 142.7 15.7 21.9 15.5 91 94 1 G S S+ 0 0 1 -2,-0.4 -1,-0.1 1,-0.2 5,-0.1 0.569 74.0 173.3 76.6 18.0 17.6 20.4 18.4 92 95 1 H >> - 0 0 3 -31,-0.2 4,-2.4 1,-0.1 3,-0.9 -0.165 44.9-110.6 -57.1 149.0 19.1 23.7 19.7 93 96 1 S H 3> S+ 0 0 14 1,-0.3 4,-3.4 2,-0.2 5,-0.4 0.817 117.7 54.3 -47.3 -43.7 20.9 23.2 23.0 94 97 1 E H 3>>S+ 0 0 17 2,-0.2 4,-2.0 3,-0.2 5,-1.6 0.880 108.7 50.1 -67.5 -32.2 18.3 25.1 25.0 95 98 1 R H <45S+ 0 0 8 -3,-0.9 6,-2.3 3,-0.2 -2,-0.2 0.925 117.0 41.6 -68.9 -44.2 15.5 22.8 23.7 96 99 1 R H <5S+ 0 0 23 -4,-2.4 4,-0.4 4,-0.2 -2,-0.2 0.965 127.9 27.1 -66.6 -53.8 17.6 19.8 24.6 97 100 1 H H <5S+ 0 0 75 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.722 130.0 32.6 -91.3 -23.6 18.8 20.9 28.1 98 101 1 V T <5S+ 0 0 71 -4,-2.0 -3,-0.2 -5,-0.4 -2,-0.1 0.833 130.7 30.1 -95.9 -43.9 16.2 23.4 29.3 99 102 1 F S - 0 0 62 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.293 23.9-108.7 -83.9 164.8 15.2 13.9 23.4 103 106 1 D H > S+ 0 0 63 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.874 120.4 57.1 -60.3 -36.7 17.1 12.7 20.3 104 107 1 E H > S+ 0 0 138 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.942 109.6 43.5 -60.3 -47.3 14.1 10.6 19.4 105 108 1 L H > S+ 0 0 31 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.915 113.0 52.1 -64.0 -44.7 11.8 13.6 19.4 106 109 1 I H X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.927 109.0 49.6 -60.2 -43.0 14.3 15.7 17.5 107 110 1 G H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.850 109.9 51.3 -65.7 -32.1 14.7 13.1 14.8 108 111 1 Q H X S+ 0 0 61 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.911 111.1 48.8 -70.8 -41.2 10.8 12.8 14.4 109 112 1 K H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.918 109.4 52.5 -63.3 -43.2 10.6 16.7 14.1 110 113 1 V H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 5,-0.2 0.955 109.1 48.4 -58.5 -48.6 13.4 16.7 11.4 111 114 1 A H X S+ 0 0 37 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.923 114.8 46.1 -59.8 -38.9 11.6 14.1 9.3 112 115 1 H H X S+ 0 0 30 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.948 111.6 49.5 -67.5 -48.2 8.3 15.9 9.5 113 116 1 A H <>S+ 0 0 0 -4,-2.9 5,-2.2 1,-0.2 4,-0.2 0.923 113.8 47.0 -58.9 -39.9 9.8 19.4 8.7 114 117 1 L H ><5S+ 0 0 32 -4,-2.4 3,-1.9 -5,-0.3 -1,-0.2 0.927 109.1 53.3 -70.0 -40.2 11.6 17.9 5.8 115 118 1 A H 3<5S+ 0 0 83 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.825 107.9 53.0 -61.1 -32.7 8.5 16.1 4.5 116 119 1 E T 3<5S- 0 0 59 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.465 123.2-105.9 -81.2 -1.6 6.6 19.4 4.7 117 120 1 G T < 5S+ 0 0 32 -3,-1.9 -3,-0.2 1,-0.3 2,-0.1 0.504 72.6 134.9 92.9 3.2 9.3 21.1 2.5 118 121 1 L < - 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