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 .
229 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
16608.3 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
100 43.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES .
0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
10 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES .
1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES .
1 0.4 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 .
2 0.9 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 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
11 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
37 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES .
6 2.6 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 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX .
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 0 PARALLEL BRIDGES PER LADDER .
1 0 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER .
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 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 D 0 0 144 0, 0.0 3,-0.1 0, 0.0 51,-0.0 0.000 360.0 360.0 360.0-171.2 -8.5 -25.6 32.8
2 2 P - 0 0 117 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.459 360.0-102.9 -73.4 151.8 -11.5 -26.8 34.5
3 3 P - 0 0 115 0, 0.0 2,-0.2 0, 0.0 47,-0.0 -0.501 31.9-132.5 -75.3 146.1 -14.5 -24.6 34.3
4 4 D - 0 0 124 -2,-0.2 2,-1.4 2,-0.1 0, 0.0 -0.510 22.2-112.3 -90.8 164.9 -15.4 -22.5 37.3
5 5 K S S+ 0 0 152 -2,-0.2 2,-0.3 2,-0.1 -1,-0.0 -0.482 82.9 103.6 -94.3 66.5 -18.9 -22.4 38.7
6 6 L S S- 0 0 83 -2,-1.4 2,-0.5 119,-0.0 -2,-0.1 -0.953 74.4-111.5-142.4 160.3 -19.3 -18.8 37.7
7 7 F + 0 0 39 -2,-0.3 119,-0.3 217,-0.0 2,-0.3 -0.833 39.6 174.9 -93.0 129.7 -21.0 -16.7 35.0
8 8 T - 0 0 51 -2,-0.5 2,-0.3 116,-0.1 38,-0.2 -0.781 42.2 -67.5-126.8 170.8 -18.6 -15.1 32.7
9 9 V + 0 0 18 36,-2.5 65,-0.1 -2,-0.3 3,-0.1 -0.454 42.4 170.3 -77.8 123.8 -19.2 -13.0 29.6
10 10 H - 0 0 108 1,-0.3 2,-0.3 -2,-0.3 -1,-0.2 0.728 64.2 -23.7 -88.2 -38.7 -20.7 -14.7 26.6
11 11 G - 0 0 29 61,-0.2 2,-0.4 2,-0.0 -1,-0.3 -0.982 32.0-149.8-176.3 151.1 -21.5 -11.7 24.4
12 12 L - 0 0 35 -2,-0.3 102,-0.0 -3,-0.1 83,-0.0 -0.976 37.1-175.6-125.4 115.6 -22.2 -8.0 24.1
13 13 W - 0 0 110 -2,-0.4 2,-0.3 85,-0.0 83,-0.1 -0.940 30.0-138.8-126.6 129.4 -24.4 -7.6 21.1
14 14 P - 0 0 25 0, 0.0 2,-0.3 0, 0.0 85,-0.1 -0.661 46.2-177.7 -69.9 136.7 -25.7 -4.6 19.3
15 15 S - 0 0 65 -2,-0.3 2,-0.4 6,-0.2 6,-0.1 -0.896 31.9-137.1-143.6 165.3 -29.2 -5.8 18.6
16 16 N - 0 0 90 -2,-0.3 3,-0.1 3,-0.2 5,-0.0 -0.960 16.1-140.7-121.5 140.9 -32.5 -5.0 17.0
17 17 D S S+ 0 0 167 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.902 92.6 35.1 -66.6 -40.5 -35.9 -5.7 18.6
18 18 V S S+ 0 0 131 2,-0.1 -1,-0.2 -3,-0.1 2,-0.0 -0.939 115.6 7.1-118.9 139.8 -37.4 -6.7 15.3
19 19 G S S- 0 0 54 -2,-0.4 -3,-0.2 -3,-0.1 2,-0.0 -0.206 106.0 -37.0 86.4 177.5 -35.6 -8.5 12.6
20 20 D - 0 0 151 1,-0.1 -2,-0.1 -5,-0.1 3,-0.1 -0.313 66.9-107.7 -74.2 159.0 -32.1 -9.9 12.8
21 21 D - 0 0 52 1,-0.1 -6,-0.2 -6,-0.1 -1,-0.1 -0.329 43.3 -89.8 -78.9 166.9 -29.4 -8.1 14.6
22 22 P - 0 0 43 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.460 48.0-170.2 -75.2 153.9 -26.7 -6.4 12.8
23 23 I - 0 0 90 1,-0.1 72,-0.2 -2,-0.1 71,-0.1 -0.988 53.5 -4.6-150.1 140.9 -23.6 -8.4 12.0
24 24 Y S S- 0 0 137 70,-1.9 70,-0.2 -2,-0.3 -1,-0.1 0.910 78.1-176.4 49.0 57.1 -20.1 -7.8 10.7
25 25 a - 0 0 44 69,-0.4 -1,-0.1 68,-0.3 72,-0.1 -0.409 38.1 -71.7 -84.7 165.7 -20.7 -4.1 10.0
26 26 K - 0 0 185 -2,-0.1 -1,-0.2 1,-0.1 2,-0.1 -0.300 53.5-131.9 -59.1 131.1 -18.2 -1.9 8.3
27 27 N - 0 0 54 1,-0.1 3,-0.1 -3,-0.1 -1,-0.1 -0.354 13.9-160.7 -83.0 162.9 -15.3 -1.1 10.7
28 28 K S S+ 0 0 109 1,-0.5 2,-0.3 77,-0.2 -1,-0.1 0.780 71.6 6.6-107.7 -60.1 -14.0 2.4 11.3
29 29 T - 0 0 57 76,-0.3 2,-0.5 2,-0.0 -1,-0.5 -0.788 65.1-134.1-123.1 165.4 -10.6 1.9 12.7
30 30 I - 0 0 129 -2,-0.3 2,-0.8 -3,-0.1 3,-0.1 -0.978 9.6-159.4-120.8 121.1 -8.4 -1.1 13.2
31 31 K - 0 0 74 -2,-0.5 3,-0.1 1,-0.2 -2,-0.0 -0.883 7.9-156.4 -99.2 114.4 -6.7 -1.5 16.5
32 32 S + 0 0 99 -2,-0.8 2,-0.3 1,-0.1 -1,-0.2 0.930 68.0 6.5 -57.8 -47.3 -3.9 -3.9 15.8
33 33 Q - 0 0 143 -3,-0.1 2,-0.2 35,-0.1 -1,-0.1 -0.923 61.9-125.7-143.5 164.5 -3.6 -5.0 19.4
34 34 Q - 0 0 16 -2,-0.3 2,-0.3 35,-0.1 74,-0.0 -0.554 40.3-104.4 -92.7 161.6 -5.0 -4.9 22.8
35 35 I > - 0 0 96 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.651 24.5-122.1 -90.5 149.2 -2.9 -4.0 25.8
36 36 G H > S+ 0 0 35 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.868 111.8 55.8 -60.1 -39.0 -1.8 -6.7 28.2
37 37 N H > S+ 0 0 129 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.934 107.5 50.1 -61.5 -40.2 -3.5 -5.2 31.1
38 38 L H > S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 3,-0.4 0.940 109.8 50.4 -61.9 -43.1 -6.7 -5.3 29.3
39 39 T H X S+ 0 0 4 -4,-2.1 4,-2.6 1,-0.3 -1,-0.2 0.844 102.7 60.4 -66.4 -32.4 -6.2 -8.9 28.4
40 40 A H X S+ 0 0 51 -4,-2.3 4,-1.1 1,-0.2 -1,-0.3 0.918 107.6 45.5 -60.4 -40.9 -5.5 -9.8 31.9
41 41 Q H X S+ 0 0 76 -4,-1.6 4,-2.8 -3,-0.4 3,-0.5 0.922 111.4 52.6 -67.5 -41.5 -8.9 -8.6 32.8
42 42 L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.3 -2,-0.2 0.849 99.5 62.6 -61.6 -36.9 -10.5 -10.4 29.9
43 43 I H < S+ 0 0 34 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.918 114.2 34.8 -59.3 -40.0 -8.8 -13.7 30.9
44 44 I H < S+ 0 0 124 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.954 133.5 25.8 -73.6 -54.0 -10.9 -13.4 34.1
45 45 I H < S+ 0 0 8 -4,-2.8 -36,-2.5 1,-0.2 -3,-0.2 0.834 133.4 33.5 -75.1 -45.8 -14.1 -11.9 32.8
46 46 W S < S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.3 -3,-0.2 0.056 76.3 160.3 -92.3 1.2 -13.9 -13.0 29.2
47 47 P - 0 0 22 0, 0.0 2,-1.0 0, 0.0 3,-0.1 -0.044 43.1-131.3 -49.9 139.9 -12.3 -16.4 29.1
48 48 N - 0 0 10 4,-0.5 6,-0.2 3,-0.2 -2,-0.1 -0.866 27.3-156.9 -82.2 110.8 -12.7 -18.7 26.2
49 49 V S S+ 0 0 84 -2,-1.0 3,-0.3 1,-0.2 -1,-0.2 0.942 82.3 42.4 -61.3 -50.0 -13.6 -21.6 28.3
50 50 L S S+ 0 0 153 1,-0.3 2,-0.7 -3,-0.1 -1,-0.2 0.974 129.1 25.2 -64.9 -53.2 -12.7 -24.3 25.9
51 51 D - 0 0 47 1,-0.2 -1,-0.3 2,-0.0 -3,-0.2 -0.922 63.9-170.3-113.5 110.5 -9.5 -22.9 24.7
52 52 R + 0 0 54 -2,-0.7 -4,-0.5 -3,-0.3 -1,-0.2 0.943 19.3 176.1 -59.0 -46.2 -8.1 -20.6 27.3
53 53 N + 0 0 0 1,-0.2 13,-0.5 -3,-0.1 -1,-0.2 0.374 58.3 95.4 59.4 -2.4 -5.8 -19.7 24.5
54 54 L S S+ 0 0 41 -6,-0.2 -1,-0.2 1,-0.1 10,-0.1 0.890 99.5 37.9 -67.9 -40.1 -4.3 -17.1 26.7
55 55 T S S- 0 0 95 10,-0.1 -1,-0.1 7,-0.1 3,-0.1 0.935 108.3-161.2 -66.0 -47.9 -2.2 -20.1 27.0
56 56 Q - 0 0 18 1,-0.1 2,-1.2 6,-0.1 -2,-0.1 0.453 29.2 -97.6 67.3 137.5 -2.6 -20.8 23.3
57 57 F S S+ 0 0 183 2,-0.1 2,-0.3 -4,-0.0 -1,-0.1 -0.751 70.2 137.6 -94.1 102.4 -1.8 -24.3 22.3
58 58 I - 0 0 93 -2,-1.2 2,-1.0 2,-0.2 4,-0.0 -0.982 55.4-132.5-139.3 150.6 1.7 -24.1 21.1
59 59 D S S+ 0 0 162 -2,-0.3 -2,-0.1 3,-0.0 3,-0.0 -0.541 83.7 53.4-101.6 68.9 4.6 -26.4 21.6
60 60 C S S- 0 0 65 -2,-1.0 -2,-0.2 0, 0.0 3,-0.1 -0.919 100.8 -45.6-169.4-169.3 7.1 -23.7 22.5
61 61 P S S- 0 0 109 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.345 84.2 -68.5 -71.4 163.4 7.6 -20.8 24.8
62 62 R - 0 0 240 1,-0.2 3,-0.1 -3,-0.0 -6,-0.1 -0.333 50.7-169.2 -56.8 113.8 4.7 -18.4 25.2
63 63 S - 0 0 79 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.997 50.8 -76.7 -65.5 -65.7 4.6 -16.8 21.9
64 64 S - 0 0 87 -9,-0.1 -1,-0.3 -10,-0.1 2,-0.1 -0.921 59.8 -54.0-175.0-173.0 2.2 -14.1 22.9
65 65 F - 0 0 98 -2,-0.3 -11,-0.1 1,-0.1 -10,-0.1 -0.432 45.2-119.2 -77.6 157.5 -1.5 -13.6 23.7
66 66 K + 0 0 31 -13,-0.5 -1,-0.1 -2,-0.1 23,-0.1 0.659 60.0 171.4 -65.8 -14.1 -3.9 -14.6 21.1
67 67 G + 0 0 26 9,-0.4 9,-0.2 10,-0.1 10,-0.1 0.557 11.2 125.5 0.5 123.4 -4.6 -10.8 21.4
68 68 S - 0 0 11 7,-0.1 7,-0.3 8,-0.1 9,-0.1 -0.901 62.7 -57.3-170.6-176.5 -7.0 -9.5 18.7
69 69 P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 22,-0.3 -0.203 51.6-166.6 -70.2 169.7 -10.2 -7.6 18.6
70 70 F - 0 0 0 21,-0.2 41,-0.2 37,-0.2 19,-0.1 -0.946 19.6-179.1-154.4 164.1 -13.3 -8.8 20.4
71 71 H + 0 0 0 17,-0.3 24,-0.5 -2,-0.3 25,-0.1 -0.143 67.3 75.1-172.9 67.3 -17.0 -8.2 20.5
72 72 C S S- 0 0 0 -61,-0.2 -61,-0.2 23,-0.1 -2,-0.1 0.174 139.4 -55.4-123.7-122.5 -19.1 -10.1 22.8
73 73 P S S- 0 0 7 0, 0.0 41,-0.6 0, 0.0 42,-0.2 0.806 109.0 -61.0 -89.6 -13.9 -17.6 -7.9 25.5
74 74 T + 0 0 0 -65,-0.1 2,-0.2 40,-0.1 -3,-0.1 -0.908 56.9 86.0 167.8 172.5 -13.7 -8.8 24.6
75 75 N - 0 0 0 -7,-0.3 17,-0.2 -2,-0.2 -7,-0.1 -0.697 51.6 -14.1 135.2-163.2 -10.1 -10.3 24.0
76 76 H - 0 0 0 -9,-0.2 -9,-0.4 -2,-0.2 -8,-0.1 0.746 68.2 -86.2 -50.1-148.1 -7.5 -12.1 21.7
77 77 I - 0 0 61 11,-0.3 12,-0.8 -24,-0.1 13,-0.6 0.874 52.4-174.3 -92.5 -49.7 -7.8 -13.9 18.4
78 78 L - 0 0 4 8,-0.3 2,-0.4 9,-0.2 3,-0.1 0.527 26.8-131.2 47.0 150.8 -8.6 -17.4 19.3
79 79 Y + 0 0 125 7,-0.2 7,-0.3 1,-0.1 -1,-0.2 -0.829 32.8 167.9-120.6 86.8 -8.9 -20.2 16.8
80 80 D - 0 0 91 5,-1.2 2,-0.2 -2,-0.4 -1,-0.1 0.966 68.3 -48.2 -65.9 -46.4 -12.2 -21.7 17.8
81 81 R S > S- 0 0 184 4,-0.4 4,-1.1 1,-0.3 -1,-0.2 -0.803 80.4 -51.9-161.9-161.8 -12.1 -23.7 14.6
82 82 T T >4 S+ 0 0 87 -2,-0.2 3,-0.9 1,-0.2 -1,-0.3 0.048 100.7 72.9 -74.3-167.3 -11.5 -23.3 10.9
83 83 D T 34 S- 0 0 118 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.802 128.9 -75.7 64.4 27.2 -13.4 -20.6 9.0
84 84 H T 34 S+ 0 0 167 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.900 78.6 176.3 53.2 42.7 -11.1 -18.2 10.8
85 85 V << + 0 0 38 -4,-1.1 -5,-1.2 -3,-0.9 -4,-0.4 -0.672 5.2 172.2 -83.1 133.4 -13.1 -18.6 13.9
86 86 G > - 0 0 2 -2,-0.4 4,-1.5 -7,-0.3 5,-0.4 -0.988 27.3-152.0-139.7 129.3 -11.7 -16.7 16.8
87 87 F H > S+ 0 0 30 -2,-0.4 4,-1.5 3,-0.2 -16,-0.3 0.999 98.7 29.4 -63.3 -59.4 -13.3 -16.4 20.1
88 88 W H > S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 3,-0.4 0.976 128.1 39.7 -65.6 -55.2 -11.8 -13.1 20.9
89 89 N H >> S+ 0 0 32 -12,-0.8 4,-1.9 1,-0.2 3,-0.7 0.914 112.6 55.0 -65.1 -42.0 -11.3 -11.7 17.5
90 90 R H 3X S+ 0 0 69 -4,-1.5 4,-3.3 -13,-0.6 5,-0.4 0.823 99.2 61.8 -64.4 -32.0 -14.5 -12.8 16.0
91 91 Q H 3X>S+ 0 0 26 -4,-1.5 4,-2.5 -3,-0.4 5,-1.4 0.921 106.4 45.9 -58.4 -41.9 -16.5 -11.2 18.7
92 92 W H <<>S+ 0 0 3 -4,-1.1 5,-1.9 -3,-0.7 6,-0.2 0.963 116.1 43.4 -66.6 -49.1 -15.2 -7.8 17.6
93 93 N H <5S+ 0 0 35 -4,-1.9 -68,-0.3 3,-0.2 -1,-0.2 0.919 121.7 39.3 -64.4 -45.1 -15.7 -8.3 14.0
94 94 K H <5S+ 0 0 50 -4,-3.3 -70,-1.9 -5,-0.2 -69,-0.4 0.982 135.6 7.3 -69.7 -60.1 -19.1 -9.9 14.4
95 95 H T ><5S+ 0 0 21 -4,-2.5 3,-1.3 -24,-0.5 4,-0.3 0.891 120.9 56.0 -91.4 -43.6 -20.7 -7.9 17.1
96 96 G G >>4S+ 0 0 5 -3,-1.9 5,-0.7 -4,-0.3 -1,-0.2 0.717 79.5 113.3 -70.4 -27.0 -21.8 -0.7 18.1
100 100 K B <<5 +A 103 0A 78 -3,-0.6 3,-0.2 -4,-0.6 5,-0.2 -0.189 68.1 36.7 -58.1 142.5 -19.9 2.0 16.3
101 101 A T 5S+ 0 0 83 1,-0.9 -1,-0.3 3,-0.2 -2,-0.1 -0.528 120.4 61.6 104.7 -50.1 -21.5 5.3 15.7
102 102 P T 5S- 0 0 87 0, 0.0 -1,-0.9 0, 0.0 -3,-0.1 -0.048 125.2 -55.9 -79.9-160.5 -23.0 4.7 19.0
103 103 T B 5S+A 100 0A 91 -3,-0.2 2,-1.2 1,-0.1 -3,-0.1 0.737 111.5 87.2 -56.0 -35.8 -20.9 4.3 22.1
104 104 I < + 0 0 13 -5,-0.7 -3,-0.2 1,-0.2 -1,-0.1 -0.539 52.1 172.0 -78.0 102.4 -18.7 1.5 21.0
105 105 K - 0 0 149 -2,-1.2 -76,-0.3 -5,-0.2 2,-0.2 0.926 55.4 -19.8 -72.1 -50.3 -15.9 3.5 19.4
106 106 D S > S- 0 0 18 -78,-0.1 4,-2.8 -79,-0.1 5,-0.2 -0.852 75.0 -78.4-151.9-176.6 -13.3 0.7 18.7
107 107 E H > S+ 0 0 2 -2,-0.2 4,-1.6 2,-0.2 -37,-0.2 0.888 126.3 42.0 -59.3 -48.4 -12.1 -2.8 19.5
108 108 M H > S+ 0 0 32 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.933 113.9 53.7 -66.8 -42.8 -10.3 -1.8 22.7
109 109 H H > S+ 0 0 50 1,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.904 105.8 51.5 -62.4 -41.6 -13.1 0.5 23.8
110 110 Y H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.3 0.925 107.9 52.6 -68.1 -32.9 -15.6 -2.1 23.4
111 111 F H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.939 109.8 49.7 -53.0 -49.0 -13.5 -4.4 25.6
112 112 K H X S+ 0 0 99 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.879 105.7 58.2 -61.7 -36.0 -13.4 -1.7 28.2
113 113 T H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.904 104.4 49.3 -62.2 -41.5 -17.1 -1.4 27.9
114 114 V H X S+ 0 0 3 -4,-1.9 4,-3.0 -41,-0.6 -1,-0.2 0.944 110.9 51.0 -59.4 -50.5 -17.7 -5.0 28.9
115 115 I H X>S+ 0 0 9 -4,-1.9 4,-3.1 1,-0.3 5,-0.6 0.904 108.0 50.2 -59.3 -43.6 -15.5 -4.7 31.8
116 116 K I <>S+ 0 0 77 -4,-2.5 5,-2.6 1,-0.2 6,-0.3 0.935 112.9 48.2 -62.5 -39.4 -17.1 -1.7 33.1
117 117 M I <5S+ 0 0 42 -4,-2.2 6,-1.7 3,-0.2 -2,-0.2 0.952 117.5 40.6 -61.8 -49.7 -20.5 -3.4 32.8
118 118 Y I <5S+ 0 0 27 -4,-3.0 6,-1.6 5,-0.2 5,-0.2 0.940 130.9 20.1 -67.2 -55.4 -19.3 -6.5 34.5
119 119 I I ><5S+ 0 0 90 -4,-3.1 3,-0.6 3,-0.2 -3,-0.2 0.966 130.5 32.4 -83.2 -59.8 -17.2 -5.0 37.3
120 120 T I 3 > - 0 0 14 -6,-1.6 4,-1.7 -7,-0.2 3,-0.6 -0.273 52.3-149.3 -46.7 115.7 -21.6 -10.0 37.2
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