DSSP OUTPUT
==== Secondary Structure Definition by the program DSSP, CMBI version 3.0.1 ==== DATE=2019-06-21 .
REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 .
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COMPND .
SOURCE .
AUTHOR .
201 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
9216.8 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
98 48.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES .
4 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
15 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
1 0.5 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 .
2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES .
1 0.5 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 .
30 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
7 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
36 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES .
1 0.5 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 1 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX .
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 PARALLEL BRIDGES PER LADDER .
1 1 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 ANTIPARALLEL BRIDGES PER LADDER .
2 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 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 CHAIN AUTHCHAIN
1 1 F 0 0 50 0, 0.0 24,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 141.1 4.0 -2.1 4.7
2 2 G B -a 25 0A 0 22,-0.8 24,-2.9 5,-0.1 5,-0.1 -0.503 360.0-100.5 -90.3 179.2 6.1 -1.1 1.6
3 3 G S S+ 0 0 53 22,-0.2 2,-0.2 -2,-0.2 22,-0.1 0.263 78.8 101.5 -85.0 4.0 5.4 1.7 -0.8
4 4 N S > S- 0 0 91 3,-0.2 2,-1.5 1,-0.1 3,-0.8 -0.628 81.7 -94.3-104.3 161.9 3.8 0.3 -3.9
5 5 S T 3 S- 0 0 111 1,-0.4 21,-0.2 -2,-0.2 3,-0.1 -0.305 84.7 -51.4 -93.7 58.0 0.2 0.4 -4.7
6 6 T T 3 S+ 0 0 47 -2,-1.5 2,-0.5 19,-0.8 -1,-0.4 0.867 98.5 164.7 52.7 61.8 -1.5 -2.8 -3.5
7 7 G E < -B 25 0A 16 18,-2.1 18,-2.5 -3,-0.8 2,-0.6 -0.901 23.1-166.6-109.2 123.4 1.4 -4.0 -5.5
8 8 G E -B 24 0A 27 -2,-0.5 2,-1.4 16,-0.2 16,-0.2 -0.914 31.0-141.4-115.1 135.2 2.2 -7.5 -4.9
9 9 T E -B 23 0A 57 14,-2.5 14,-1.6 -2,-0.6 2,-0.5 -0.794 66.2-149.6 -86.8 97.9 5.3 -9.1 -6.1
10 10 T E +B 22 0A 84 -2,-1.4 2,-0.4 12,-0.2 12,-0.3 -0.802 56.1 142.4-131.7 105.2 2.6 -11.5 -6.6
11 11 G E -B 21 0A 22 10,-2.6 10,-2.3 -2,-0.5 -2,-0.1 -0.910 64.1 -78.2-126.9 107.4 2.1 -15.0 -6.6
12 12 T - 0 0 103 -2,-0.4 -1,-0.3 8,-0.2 9,-0.2 0.186 50.3-143.0 54.0-153.1 -1.2 -16.3 -5.2
13 13 G + 0 0 21 6,-0.1 2,-0.8 7,-0.1 9,-0.0 -0.580 48.5 25.0-167.1-138.1 -1.9 -16.6 -1.4
14 14 I + 0 0 70 -2,-0.2 90,-0.1 3,-0.0 -2,-0.0 -0.658 66.5 110.9 -75.0 106.2 -3.5 -18.6 1.3
15 15 N S S- 0 0 83 -2,-0.8 0, 0.0 88,-0.1 0, 0.0 -0.776 83.4 -83.9-138.1 175.5 -4.1 -22.3 0.6
16 16 P S S+ 0 0 75 0, 0.0 91,-0.1 0, 0.0 31,-0.1 0.816 131.9 34.1 -51.6 -48.6 -2.0 -25.1 2.6
17 17 D S S- 0 0 122 2,-0.1 3,-0.2 1,-0.0 -3,-0.0 0.860 90.8-177.7 -70.1 -34.0 1.2 -25.2 0.4
18 18 Y - 0 0 2 1,-0.2 2,-0.6 30,-0.0 -1,-0.0 0.690 4.5-170.4 63.6 25.2 0.4 -21.6 0.2
19 19 T + 0 0 100 29,-0.1 2,-0.3 1,-0.1 -1,-0.2 -0.341 24.9 162.7 -81.6 111.1 3.2 -21.2 -2.0
20 20 T B -c 48 0B 4 27,-2.2 29,-2.0 -2,-0.6 -8,-0.2 -0.835 47.0-166.4-137.9 159.2 3.3 -17.5 -2.2
21 21 D E + B 0 11A 35 -10,-2.3 -10,-2.6 -2,-0.3 2,-0.7 -0.657 27.4 147.5-153.7 82.9 4.8 -14.3 -2.9
22 22 S E + B 0 10A 3 -12,-0.3 2,-0.8 27,-0.2 -12,-0.2 -0.992 9.7 165.4 -74.9 88.6 3.2 -11.4 -1.6
23 23 S E - B 0 9A 18 -14,-1.6 -14,-2.5 -2,-0.7 2,-0.3 -0.985 43.8-171.4 -88.2 105.7 6.3 -9.9 -1.2
24 24 A E - B 0 8A 0 -2,-0.8 -22,-0.8 -16,-0.2 2,-0.4 -0.760 33.1-164.1-127.1 141.7 3.8 -7.2 -0.9
25 25 F E S-aB 2 7A 25 -18,-2.5 -18,-2.1 2,-0.7 2,-0.9 -0.935 73.6 -9.4-136.5 153.6 3.6 -3.5 -0.7
26 26 A S S- 0 0 9 -24,-2.9 9,-0.9 -2,-0.4 2,-0.2 -0.580 139.6 -19.4 49.2 -96.0 0.8 -1.1 0.4
27 27 L B S-D 34 0C 5 -2,-0.9 -2,-0.7 -23,-0.2 -21,-0.2 -0.722 76.9-107.2-114.9 179.8 -1.6 -4.2 0.4
28 28 K S S- 0 0 23 5,-2.6 2,-0.3 1,-0.4 -3,-0.2 0.936 87.9 -40.6 -56.1 -42.1 -1.0 -7.6 -1.4
29 29 N S S- 0 0 57 4,-0.2 -1,-0.4 3,-0.2 -22,-0.1 -0.766 87.0 -67.3 166.3 149.6 -3.5 -7.2 -4.0
30 30 S S S+ 0 0 80 -2,-0.3 2,-0.6 -24,-0.3 -24,-0.0 -0.120 102.4 24.9 -75.7 170.4 -6.9 -5.7 -3.7
31 31 S S S+ 0 0 116 -3,-0.0 2,-0.4 0, 0.0 -3,-0.1 -0.672 120.8 42.3 56.6-111.1 -9.9 -7.1 -1.7
32 32 K S S+ 0 0 117 -2,-0.6 -3,-0.2 1,-0.1 -4,-0.1 -0.462 95.0 170.5 -72.0 120.2 -8.4 -9.4 0.9
33 33 L + 0 0 33 -2,-0.4 -5,-2.6 -5,-0.1 -4,-0.2 0.997 26.8 114.3 -94.2 -77.1 -5.7 -6.9 1.7
34 34 F B -D 27 0C 13 131,-0.2 2,-0.5 -7,-0.2 -7,-0.2 0.438 44.7-143.2 -64.6 125.8 -3.1 -6.5 4.3
35 35 I - 0 0 0 -9,-0.9 2,-0.7 -33,-0.1 -1,-0.2 -0.672 13.4-143.0 -82.4 130.4 0.7 -6.6 3.2
36 36 C - 0 0 1 -2,-0.5 16,-0.4 1,-0.2 15,-0.2 -0.790 4.0-147.7 -88.5 103.6 2.7 -8.2 5.8
37 37 L S S+ 0 0 25 -2,-0.7 15,-1.7 1,-0.2 2,-0.4 0.798 86.4 10.7 -63.3 -40.9 6.1 -6.2 5.9
38 38 L - 0 0 10 13,-0.2 2,-1.0 12,-0.1 122,-0.7 -0.993 55.5-159.9-125.6 140.9 7.6 -9.5 6.9
39 39 L - 0 0 4 -2,-0.4 2,-1.2 2,-0.1 11,-0.2 -0.799 22.4-169.6 -90.1 90.9 6.4 -13.0 7.0
40 40 I + 0 0 15 -2,-1.0 2,-0.6 10,-0.1 119,-0.1 -0.352 40.5 135.5 -90.0 57.1 9.1 -13.9 9.4
41 41 A - 0 0 0 -2,-1.2 9,-0.3 120,-0.1 2,-0.3 -0.967 63.3-141.3 -72.6 111.7 8.3 -17.4 9.0
42 42 S - 0 0 38 -2,-0.6 2,-0.3 1,-0.1 109,-0.3 -0.833 20.2 -54.6-140.8 138.3 11.9 -17.5 8.8
43 43 S S S+ 0 0 99 -2,-0.3 -1,-0.1 2,-0.1 -3,-0.0 -0.384 104.5 59.8-105.5 104.4 14.1 -19.4 6.7
44 44 G S S+ 0 0 71 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.1 -0.293 95.7 148.3 -96.9 18.0 14.8 -22.8 5.9
45 45 F + 0 0 23 1,-0.1 -2,-0.1 3,-0.0 5,-0.1 -0.067 39.6 179.3 -93.1 149.0 11.5 -21.9 5.1
46 46 C + 0 0 89 -4,-0.1 -1,-0.1 105,-0.1 -3,-0.0 0.931 67.1 45.2 -88.1 -57.8 9.3 -23.0 2.3
47 47 S S S+ 0 0 24 -28,-0.1 -27,-2.2 -31,-0.1 2,-0.5 0.795 102.9 57.1 -81.4 -32.9 5.9 -21.8 1.9
48 48 F B -c 20 0B 3 -29,-0.2 2,-1.5 -7,-0.1 -27,-0.2 -0.807 62.8-150.6-100.1 119.1 6.3 -18.0 2.3
49 49 L - 0 0 102 -29,-2.0 -27,-0.2 -2,-0.5 2,-0.1 -0.817 41.5-167.5 -85.2 84.6 8.7 -16.0 0.2
50 50 M + 0 0 58 -2,-1.5 -12,-0.1 -9,-0.3 -10,-0.1 -0.216 38.9 71.3 -64.2 163.0 9.0 -13.7 3.1
51 51 G + 0 0 17 -15,-0.2 2,-0.4 -14,-0.1 3,-0.3 0.918 15.5 162.8 84.4 79.4 10.5 -10.3 3.1
52 52 C + 0 0 1 -15,-1.7 -1,-0.1 -16,-0.4 -2,-0.0 -0.534 33.7 157.8 -92.5 65.6 9.0 -7.4 1.6
53 53 A - 0 0 16 -2,-0.4 -1,-0.2 -3,-0.1 -15,-0.1 0.887 41.3-145.3 -56.8 -38.1 11.6 -6.2 4.0
54 54 F + 0 0 36 -3,-0.3 2,-0.5 1,-0.2 5,-0.2 0.995 35.2 175.7 78.9 79.8 11.4 -3.2 1.8
55 55 P - 0 0 72 0, 0.0 2,-2.1 0, 0.0 -1,-0.2 -0.838 6.2-177.6-103.9 90.9 14.4 -1.0 0.9
56 56 T S S- 0 0 92 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.290 89.2 -63.0 -88.8 64.3 13.4 1.7 -1.6
57 57 S S S+ 0 0 141 -2,-2.1 -1,-0.3 1,-0.1 -3,-0.0 0.666 138.8 47.0 56.1 34.7 17.0 2.6 -1.5
58 58 A S S+ 0 0 73 2,-0.0 -1,-0.1 0, 0.0 -4,-0.0 0.480 76.8 65.7-145.6 -80.9 15.8 3.3 2.0
59 59 S S S- 0 0 81 -5,-0.2 2,-0.1 1,-0.1 -5,-0.1 0.712 77.1-132.2 -63.7 -40.1 13.9 1.6 4.7
60 60 G - 0 0 31 -6,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.117 11.9 -90.8 93.6 161.2 16.0 -1.5 5.7
61 61 S - 0 0 100 -2,-0.1 2,-0.3 -6,-0.1 -7,-0.1 -0.876 39.7-144.0-118.0 131.8 15.6 -5.1 6.3
62 62 S - 0 0 71 -2,-0.4 -2,-0.0 1,-0.1 -9,-0.0 -0.777 9.0-126.0-109.6 133.9 14.9 -6.4 9.8
63 63 G - 0 0 64 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 -0.042 26.1 -93.3 -83.5-170.5 16.0 -9.5 11.6
64 64 S - 0 0 75 2,-0.0 2,-0.5 95,-0.0 -1,-0.1 -0.784 35.6-160.5-104.3 128.7 14.3 -12.2 13.5
65 65 T + 0 0 65 -2,-0.4 2,-0.4 3,-0.0 93,-0.3 -0.937 19.0 157.6-121.1 114.0 13.8 -12.0 17.2
66 66 T + 0 0 54 -2,-0.5 80,-0.1 1,-0.1 -2,-0.0 -0.911 31.8 107.0-132.0 118.5 13.1 -14.8 19.7
67 67 V S S+ 0 0 95 -2,-0.4 78,-0.2 1,-0.1 -1,-0.1 0.340 90.2 32.4-122.7 -46.9 13.7 -14.8 23.4
68 68 T - 0 0 54 76,-0.1 2,-0.5 -3,-0.1 76,-0.2 -0.909 62.3-178.8-121.0 112.9 10.1 -14.6 24.4
69 69 P - 0 0 0 0, 0.0 74,-2.6 0, 0.0 2,-1.0 -0.872 22.8-143.5-105.3 143.3 7.0 -16.0 22.7
70 70 G E +E 142 0D 1 85,-1.0 2,-0.3 86,-0.6 85,-0.1 -0.815 47.4 148.8 -93.0 103.2 3.6 -15.7 23.9
71 71 T E -E 141 0D 4 70,-2.3 70,-2.3 -2,-1.0 2,-0.6 -0.824 56.5-102.6-132.7 160.9 2.1 -19.1 22.9
72 72 T E -E 140 0D 0 -2,-0.3 68,-0.2 68,-0.2 67,-0.1 -0.773 53.1-111.5 -81.0 130.2 -0.4 -21.6 23.9
73 73 N - 0 0 47 66,-2.2 -1,-0.1 -2,-0.6 10,-0.0 -0.315 33.7-178.8 -57.2 126.0 1.6 -24.3 25.6
74 74 P + 0 0 81 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.868 63.9 88.1 -58.2 -42.2 1.8 -27.7 23.7
75 75 K S S- 0 0 137 2,-0.0 2,-0.3 1,-0.0 -2,-0.0 0.506 100.2 -40.1 -63.0 -39.1 3.8 -29.4 26.3
76 76 G + 0 0 47 3,-0.1 3,-0.1 0, 0.0 -3,-0.0 -0.944 62.1 171.5-166.9 176.4 1.3 -30.8 28.8
77 77 S - 0 0 84 -2,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.964 49.8-143.7-159.1 170.9 -1.9 -29.9 30.4
78 78 P S S+ 0 0 137 0, 0.0 2,-0.6 0, 0.0 3,-0.3 0.111 92.5 99.6 -93.3 -1.5 -4.9 -30.4 32.5
79 79 T + 0 0 25 1,-0.2 -3,-0.1 2,-0.1 0, 0.0 -0.883 11.7 118.2-134.8 94.2 -6.1 -28.2 29.8
80 80 T S S+ 0 0 93 -2,-0.6 -1,-0.2 -3,-0.1 5,-0.2 0.495 103.0 42.6 -84.6 -50.3 -7.9 -28.5 26.6
81 81 T S > S+ 0 0 117 -3,-0.3 4,-2.3 1,-0.2 5,-0.2 0.890 111.6 52.9 -59.4 -37.2 -10.7 -26.3 28.1
82 82 T H > S+ 0 0 58 1,-0.2 4,-1.1 2,-0.2 57,-0.2 0.931 109.0 52.8 -71.9 -37.9 -8.2 -23.9 29.7
83 83 L H > S+ 0 0 13 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.907 112.7 42.6 -51.8 -48.0 -6.6 -23.6 26.2
84 84 P H > S+ 0 0 30 0, 0.0 4,-1.3 0, 0.0 3,-0.4 0.729 102.1 66.8 -76.4 -22.8 -9.9 -22.7 24.5
85 85 G H X S+ 0 0 22 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.807 91.5 69.0 -61.9 -27.7 -10.9 -20.4 27.3
86 86 S H X S+ 0 0 0 -4,-1.1 4,-2.4 -3,-0.4 -1,-0.2 0.877 97.1 46.9 -49.0 -52.0 -8.1 -18.4 26.1
87 87 G H < S+ 0 0 4 -4,-0.5 5,-0.2 -3,-0.4 -1,-0.2 0.830 108.5 54.5 -63.4 -40.2 -9.7 -17.5 22.9
88 88 T H X S+ 0 0 93 -4,-1.3 4,-0.9 2,-0.2 -2,-0.2 0.949 113.7 43.8 -62.9 -43.8 -13.1 -16.6 24.5
89 89 N H X S+ 0 0 82 -4,-2.4 4,-0.7 1,-0.2 3,-0.3 0.913 114.8 49.3 -66.0 -42.5 -11.2 -14.2 26.7
90 90 S H X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 3,-0.4 0.795 99.9 60.5 -68.3 -33.7 -9.1 -12.9 23.9
91 91 P H 4 S+ 0 0 47 0, 0.0 6,-0.3 0, 0.0 3,-0.2 0.825 99.7 62.4 -66.1 -25.7 -11.9 -12.1 21.4
92 92 Y H < S+ 0 0 210 -4,-0.9 -2,-0.2 -3,-0.3 -3,-0.1 0.895 93.0 62.2 -59.6 -39.4 -13.1 -9.8 24.1
93 93 S H < S- 0 0 50 -4,-0.7 -1,-0.2 -3,-0.4 -3,-0.1 0.864 97.2-146.0 -48.3 -48.2 -9.9 -7.9 23.7
94 94 G S < S+ 0 0 32 -4,-0.9 4,-0.1 -3,-0.2 -1,-0.1 0.247 83.5 79.0 87.3 -7.6 -10.9 -7.1 20.1
95 95 N S >> S+ 0 0 13 -5,-0.2 4,-0.9 2,-0.1 3,-0.6 0.810 101.3 45.0 -60.7 -53.4 -7.5 -7.0 18.4
96 96 P H 3> S+ 0 0 0 0, 0.0 4,-0.7 0, 0.0 3,-0.2 0.851 88.3 76.8 -63.0 -38.2 -7.7 -10.9 18.4
97 97 T H 34 S+ 0 0 57 -7,-0.4 3,-0.3 -6,-0.3 -2,-0.1 0.837 111.6 24.2 -55.5 -29.8 -11.1 -12.0 17.3
98 98 N H X4 S+ 0 0 63 -3,-0.6 3,-0.6 1,-0.2 -1,-0.3 0.826 112.9 60.7-111.9 -28.5 -10.4 -11.4 13.7
99 99 G H 3< S+ 0 0 8 -4,-0.9 65,-0.2 1,-0.2 -1,-0.2 0.190 78.6 96.0 -82.1 6.7 -6.7 -11.6 13.2
100 100 V T 3< + 0 0 18 -4,-0.7 -1,-0.2 -3,-0.3 18,-0.1 0.149 52.3 128.9 -87.4 8.3 -6.9 -15.2 14.4
101 101 K < - 0 0 118 -3,-0.6 -3,-0.0 61,-0.2 2,-0.0 -0.617 64.3-116.8 -69.7 121.3 -7.1 -16.2 10.7
102 102 P - 0 0 43 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.286 18.8-160.0 -57.1 139.8 -4.5 -19.0 10.0
103 103 K - 0 0 12 -89,-0.0 -88,-0.1 -2,-0.0 -2,-0.0 0.253 40.2-111.3-109.5 13.6 -1.7 -18.3 7.6
104 104 Q S S+ 0 0 24 -90,-0.1 4,-0.2 1,-0.1 -57,-0.0 -0.022 91.1 95.1 90.3 -23.9 -0.6 -21.9 6.7
105 105 S S S- 0 0 18 1,-0.2 3,-0.1 2,-0.1 -1,-0.1 0.968 113.7 -2.2 -61.5 -47.8 2.9 -22.3 8.3
106 106 C S S+ 0 0 26 47,-0.1 -1,-0.2 1,-0.1 46,-0.1 0.184 99.4 125.4-116.8 7.3 1.8 -23.9 11.6
107 107 F + 0 0 64 -91,-0.1 -2,-0.1 1,-0.0 -1,-0.1 0.651 37.9 94.3 -59.1 -29.4 -1.9 -23.8 10.9
108 108 N + 0 0 136 -4,-0.2 2,-0.3 -3,-0.1 -1,-0.0 -0.519 62.6 86.6 -76.3 108.6 -2.9 -27.4 11.4
109 109 P S S- 0 0 31 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 -0.908 84.4 -49.5-167.1-171.6 -4.1 -27.9 15.0
110 110 D > - 0 0 74 -2,-0.3 4,-1.1 1,-0.1 3,-0.2 -0.722 61.6-136.4 -84.3 128.5 -7.0 -27.7 17.4
111 111 N H > S+ 0 0 103 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.611 77.9 54.8 -88.7 -30.5 -8.5 -24.5 16.9
112 112 V H > S+ 0 0 62 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.955 116.7 43.4 -66.6 -42.9 -9.6 -22.2 19.7
113 113 R H > S+ 0 0 42 1,-0.2 4,-1.7 -3,-0.2 -1,-0.3 0.861 110.6 55.9 -66.7 -33.1 -6.3 -22.3 21.3
114 114 S H X S+ 0 0 5 -4,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.891 103.3 53.8 -62.1 -40.9 -4.6 -21.9 18.0
115 115 H H X S+ 0 0 57 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.891 107.9 52.0 -57.7 -42.2 -6.5 -18.7 17.3
116 116 C H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.864 107.1 52.5 -62.1 -41.8 -5.2 -17.3 20.7
117 117 N H X S+ 0 0 28 -4,-1.7 4,-0.8 1,-0.2 -1,-0.2 0.864 108.4 53.5 -60.3 -40.9 -1.6 -18.2 19.7
118 118 Y H < S+ 0 0 4 -4,-2.0 4,-0.5 1,-0.2 -2,-0.2 0.893 115.7 35.1 -62.3 -46.9 -2.2 -16.3 16.5
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