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 .
221 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
11950.8 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
121 54.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES .
5 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
23 10.4 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 .
1 0.5 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 .
17 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
9 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
46 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES .
5 2.3 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 1 1 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX .
1 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 PARALLEL BRIDGES PER LADDER .
2 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER .
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 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 7 0, 0.0 187,-2.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -47.9 -5.2 -10.0 -0.1
2 2 W E -AB 31 187A 18 29,-2.0 29,-3.4 185,-0.2 2,-0.6 -0.909 360.0-176.3-108.6 125.9 -6.8 -13.0 1.4
3 3 R E -AB 30 186A 9 183,-2.4 183,-2.7 -2,-0.5 2,-0.4 -0.963 9.8-169.0-119.9 118.3 -7.8 -12.8 5.0
4 4 K E -AB 29 185A 58 25,-2.4 24,-2.9 -2,-0.6 25,-1.9 -0.879 7.7-168.7-115.4 141.6 -9.2 -16.0 6.3
5 5 Q E -AB 27 184A 8 179,-2.8 179,-2.1 -2,-0.4 2,-0.3 -0.929 13.1-145.8-121.6 147.3 -11.0 -16.6 9.6
6 6 W E -AB 26 183A 6 20,-3.3 20,-2.1 -2,-0.3 2,-0.7 -0.878 15.3-124.0-122.7 149.8 -11.7 -20.0 11.1
7 7 Y E > -A 25 0A 5 175,-2.7 4,-2.9 -2,-0.3 18,-0.2 -0.793 22.3-152.3 -89.4 115.4 -14.6 -21.4 13.1
8 8 K H > S+ 0 0 15 16,-2.4 4,-2.5 -2,-0.7 5,-0.2 0.902 90.4 51.9 -61.0 -44.3 -12.9 -22.9 16.1
9 9 H H > S+ 0 0 48 13,-0.6 4,-1.3 1,-0.2 -1,-0.2 0.943 114.6 41.7 -59.8 -48.7 -15.5 -25.5 16.8
10 10 G H > S+ 0 0 3 171,-0.2 4,-1.8 1,-0.2 3,-0.3 0.924 113.0 54.0 -65.7 -42.1 -15.4 -26.8 13.3
11 11 S H < S+ 0 0 6 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.863 101.5 58.1 -64.1 -34.0 -11.7 -26.7 13.1
12 12 C H < S+ 0 0 37 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.927 106.5 50.8 -63.0 -37.6 -11.2 -28.7 16.2
13 13 A H < S+ 0 0 47 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.921 108.5 51.2 -64.0 -43.5 -13.2 -31.4 14.6
14 14 S S < S+ 0 0 32 -4,-1.8 -2,-0.2 160,-0.0 -1,-0.1 0.988 111.2 40.9 -66.0 -61.5 -11.1 -31.4 11.4
15 15 P S S- 0 0 45 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.380 86.9-114.6 -82.0 169.9 -7.6 -31.7 12.8
16 16 A + 0 0 105 -2,-0.1 -4,-0.0 2,-0.0 -2,-0.0 0.856 60.7 152.9 -63.4 -39.4 -6.5 -33.9 15.7
17 17 L - 0 0 36 1,-0.1 54,-0.1 -6,-0.1 53,-0.0 0.625 41.3-148.2 -5.4 122.1 -5.6 -30.7 17.8
18 18 P + 0 0 111 0, 0.0 -1,-0.1 0, 0.0 53,-0.1 0.538 61.8 107.5 -75.1 -13.3 -5.9 -31.2 21.4
19 19 N - 0 0 30 51,-0.3 2,-0.6 1,-0.1 51,-0.0 -0.405 69.6-126.6 -75.7 148.2 -7.0 -27.7 22.3
20 20 Q - 0 0 151 -2,-0.1 2,-0.1 51,-0.0 -1,-0.1 -0.858 33.9-163.9 -94.4 120.2 -10.5 -27.1 23.5
21 21 K - 0 0 47 -2,-0.6 2,-0.2 -13,-0.1 49,-0.0 -0.383 9.8-135.4-100.9 173.5 -12.0 -24.3 21.3
22 22 H - 0 0 98 2,-0.1 2,-1.6 -2,-0.1 -13,-0.6 -0.670 37.9 -87.5-120.6 178.6 -15.0 -22.1 21.6
23 23 Y S S+ 0 0 51 -2,-0.2 2,-0.3 -15,-0.2 -16,-0.1 -0.587 86.1 104.3 -92.9 81.7 -17.6 -21.1 19.1
24 24 F - 0 0 57 -2,-1.6 -16,-2.4 -18,-0.1 2,-0.6 -0.988 66.8-122.9-149.4 155.1 -16.0 -18.1 17.5
25 25 E E +A 7 0A 1 -2,-0.3 104,-0.4 -18,-0.2 -18,-0.2 -0.905 36.1 174.2-103.9 130.4 -14.2 -17.4 14.3
26 26 T E -A 6 0A 5 -20,-2.1 -20,-3.3 -2,-0.6 2,-0.2 -0.741 41.0 -66.4-125.8 173.6 -10.7 -16.1 14.7
27 27 V E +A 5 0A 7 37,-1.7 -22,-0.3 -22,-0.3 3,-0.1 -0.417 39.0 174.0 -72.5 122.1 -8.0 -15.3 12.3
28 28 I E - 0 0A 31 -24,-2.9 2,-0.3 1,-0.4 -23,-0.2 0.855 65.0 -32.6 -83.1 -49.5 -6.4 -18.2 10.4
29 29 R E -A 4 0A 47 -25,-1.9 -25,-2.4 2,-0.0 2,-0.4 -0.992 34.9-137.1-166.0 164.3 -4.2 -16.1 8.2
30 30 M E -A 3 0A 0 -2,-0.3 2,-0.5 -27,-0.2 -27,-0.2 -0.983 36.3-166.7-126.2 114.4 -3.5 -13.0 6.3
31 31 F E -A 2 0A 41 -29,-3.4 -29,-2.0 -2,-0.4 2,-0.6 -0.893 24.4-145.4-117.1 135.6 -2.0 -13.9 2.9
32 32 L + 0 0 11 -2,-0.5 2,-0.3 56,-0.3 10,-0.3 -0.801 45.6 160.7 -78.5 128.7 -0.2 -11.8 0.4
33 33 A - 0 0 4 -2,-0.6 2,-0.6 8,-0.2 3,-0.2 -1.000 42.2-141.2-153.7 152.5 -1.4 -13.5 -2.7
34 34 E + 0 0 62 6,-0.4 4,-0.2 -2,-0.3 -2,-0.0 -0.912 17.3 174.8-118.0 108.3 -1.8 -13.0 -6.4
35 35 K > + 0 0 25 -2,-0.6 3,-1.5 2,-0.1 -1,-0.2 0.936 58.6 92.3 -70.3 -42.1 -4.9 -14.4 -7.8
36 36 Q T 3 S- 0 0 128 1,-0.3 3,-0.0 -3,-0.2 -2,-0.0 -0.302 113.9 -29.6 -66.1 124.4 -4.2 -13.0 -11.1
37 37 N T 3 S+ 0 0 136 1,-0.1 2,-0.5 -2,-0.1 -1,-0.3 0.648 114.6 107.9 48.4 23.0 -2.3 -15.3 -13.4
38 38 V < + 0 0 34 -3,-1.5 -1,-0.1 1,-0.2 -4,-0.1 -0.927 41.0 176.6-136.8 117.9 -0.7 -16.8 -10.5
39 39 S S S+ 0 0 105 -2,-0.5 -1,-0.2 2,-0.1 -2,-0.1 0.875 75.3 67.8 -73.0 -39.9 -1.5 -20.3 -9.3
40 40 R S S- 0 0 202 -3,-0.1 -6,-0.4 -7,-0.0 2,-0.3 -0.229 77.0-139.3 -77.9 164.4 1.2 -19.9 -6.7
41 41 I - 0 0 72 -8,-0.1 -8,-0.2 -2,-0.0 2,-0.1 -0.917 31.8 -99.0-120.9 149.9 1.2 -17.5 -3.8
42 42 L + 0 0 80 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.2 -0.428 53.9 168.5 -69.0 146.4 4.2 -15.6 -2.7
43 43 S + 0 0 58 1,-0.1 45,-0.2 47,-0.1 44,-0.1 -0.992 44.5 17.1-157.3 155.3 5.9 -17.2 0.2
44 44 M - 0 0 134 43,-1.2 43,-0.2 -2,-0.3 2,-0.1 0.910 69.7-175.8 51.3 50.4 9.1 -17.2 2.3
45 45 A - 0 0 33 42,-0.6 -1,-0.1 41,-0.4 2,-0.1 -0.488 38.1 -96.0 -73.3 150.3 10.1 -13.8 1.1
46 46 T - 0 0 132 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.490 43.8-121.7 -69.0 140.0 13.5 -12.8 2.4
47 47 I - 0 0 75 1,-0.2 -1,-0.1 -2,-0.1 55,-0.1 -0.628 21.5-167.3 -86.7 129.4 13.0 -10.6 5.5
48 48 E + 0 0 161 -2,-0.3 2,-0.2 53,-0.2 -1,-0.2 0.921 69.3 37.5 -78.4 -46.8 14.4 -7.2 5.5
49 49 P - 0 0 39 0, 0.0 2,-0.4 0, 0.0 54,-0.1 -0.544 61.7-144.3-105.4 170.5 14.0 -6.5 9.2
50 50 E + 0 0 186 -2,-0.2 2,-0.3 52,-0.0 52,-0.0 -0.990 31.6 165.9-124.0 134.4 14.2 -8.1 12.5
51 51 G - 0 0 41 -2,-0.4 2,-0.3 53,-0.0 52,-0.0 -0.994 28.9-135.2-150.3 155.6 11.7 -7.1 15.2
52 52 K - 0 0 196 -2,-0.3 2,-0.2 51,-0.0 52,-0.1 -0.840 28.0-117.4-110.0 147.5 10.4 -8.2 18.5
53 53 N - 0 0 55 -2,-0.3 2,-0.2 1,-0.1 3,-0.0 -0.523 24.5-120.7 -80.9 150.1 6.7 -8.2 19.5
54 54 R > - 0 0 151 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.527 22.3-120.1 -81.6 157.6 5.4 -6.0 22.3
55 55 T H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.901 113.6 56.9 -64.4 -38.1 3.8 -7.9 25.1
56 56 L H > S+ 0 0 92 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.918 105.8 49.5 -61.8 -42.7 0.6 -6.0 24.4
57 57 L H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.936 109.8 50.0 -64.0 -44.2 0.5 -7.2 20.8
58 58 E H X S+ 0 0 71 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.876 107.3 55.7 -62.6 -36.3 1.0 -10.8 21.7
59 59 I H X S+ 0 0 101 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.938 110.1 44.5 -62.4 -43.8 -1.7 -10.6 24.3
60 60 Q H X S+ 0 0 32 -4,-2.0 4,-2.6 1,-0.2 3,-0.4 0.916 110.3 56.9 -64.8 -39.2 -4.1 -9.4 21.6
61 61 N H X>S+ 0 0 23 -4,-2.6 4,-1.8 1,-0.2 5,-0.7 0.833 96.2 64.0 -59.8 -35.9 -2.8 -12.0 19.3
62 62 A H X5S+ 0 0 25 -4,-2.1 4,-0.8 3,-0.2 -1,-0.2 0.948 112.0 34.9 -59.1 -45.9 -3.7 -14.7 21.8
63 63 I H <5S+ 0 0 103 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.978 130.8 29.3 -71.7 -54.0 -7.4 -13.9 21.4
64 64 R H <5S+ 0 0 4 -4,-2.6 -37,-1.7 1,-0.2 -3,-0.2 0.956 123.4 47.2 -71.1 -48.3 -7.6 -12.9 17.8
65 65 A H <5S- 0 0 24 -4,-1.8 2,-0.3 -5,-0.3 5,-0.2 0.616 128.5 -4.2 -69.1 -26.1 -4.8 -15.1 16.4
66 66 G << - 0 0 0 -4,-0.8 3,-0.2 -5,-0.7 -39,-0.1 -0.959 65.6-111.4-152.6 174.0 -5.8 -18.2 18.2
67 67 T S S- 0 0 19 -2,-0.3 -1,-0.2 2,-0.3 3,-0.1 0.910 115.9 -49.0 -62.6 -41.7 -8.4 -19.4 20.7
68 68 N S S- 0 0 43 1,-0.6 2,-0.3 3,-0.3 -3,-0.1 0.128 124.1 -29.5-134.5 -65.9 -4.9 -19.4 22.0
69 69 N - 0 0 8 2,-0.8 -1,-0.6 -3,-0.2 -2,-0.3 -0.867 64.3-110.4-141.8 163.5 -3.7 -21.2 18.9
70 70 M S S+ 0 0 69 -2,-0.3 -51,-0.3 -5,-0.2 3,-0.1 0.869 118.8 46.7 -63.7 -32.4 -5.8 -23.6 16.9
71 71 I S S- 0 0 36 1,-0.3 -2,-0.8 4,-0.1 -3,-0.3 -0.313 129.2 -54.1 -94.5 175.7 -3.4 -26.0 18.4
72 72 P - 0 0 25 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.242 42.1-126.5 -60.9 151.5 -2.8 -25.7 22.1
73 73 K S > S+ 0 0 102 1,-0.3 4,-0.9 -4,-0.2 -3,-0.1 0.880 115.8 59.7 -60.7 -35.2 -1.7 -22.3 23.5
74 74 L T 4 S+ 0 0 143 2,-0.1 2,-0.4 3,-0.1 -1,-0.3 0.914 82.3 92.3 -59.7 -40.2 1.1 -24.3 24.9
75 75 K T 4 S- 0 0 110 1,-0.2 5,-0.1 -3,-0.1 -4,-0.1 -0.472 117.4 -76.4 -63.6 117.2 2.0 -25.3 21.5
76 76 C T > + 0 0 50 -2,-0.4 4,-3.3 1,-0.2 -1,-0.2 0.291 59.9 176.0 -19.3 83.6 4.5 -22.5 20.7
77 77 Q H X S+ 0 0 40 -4,-0.9 4,-2.9 2,-0.2 5,-0.2 0.899 83.5 52.2 -64.6 -39.6 2.1 -19.8 20.1
78 78 K H > S+ 0 0 162 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.954 111.8 44.7 -61.2 -46.7 5.0 -17.5 19.8
79 79 V H > S+ 0 0 80 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.919 111.5 54.0 -64.2 -40.2 6.5 -19.9 17.2
80 80 N H X S+ 0 0 31 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.915 109.0 47.5 -61.7 -42.2 3.2 -20.2 15.5
81 81 G H X S+ 0 0 26 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.928 110.7 53.3 -63.3 -39.5 2.9 -16.5 15.2
82 82 M H X S+ 0 0 120 -4,-2.4 4,-3.5 1,-0.2 -2,-0.2 0.923 106.1 53.0 -61.3 -41.6 6.5 -16.4 13.9
83 83 T H X S+ 0 0 45 -4,-2.8 4,-2.7 1,-0.2 5,-0.4 0.918 107.9 49.2 -64.0 -41.6 5.7 -19.0 11.3
84 84 E H X>S+ 0 0 31 -4,-2.0 5,-1.7 1,-0.2 4,-1.7 0.938 114.3 47.9 -61.9 -41.2 2.7 -17.1 9.9
85 85 L H <>S+ 0 0 13 -4,-2.3 5,-2.2 3,-0.2 6,-0.2 0.967 112.9 46.9 -61.1 -52.2 5.0 -14.0 9.8
86 86 V H <5S+ 0 0 47 -4,-3.5 -41,-0.4 3,-0.2 -2,-0.2 0.946 121.1 33.2 -63.0 -51.0 7.8 -15.7 8.1
87 87 E H <5S+ 0 0 66 -4,-2.7 -43,-1.2 -5,-0.2 -42,-0.6 0.996 137.7 10.3 -71.3 -58.2 6.0 -17.5 5.4
88 88 V T >X5S+ 0 0 5 -4,-1.7 3,-1.4 -5,-0.4 4,-0.5 0.947 121.8 53.2 -86.8 -48.9 3.1 -15.1 4.6
89 89 T G >44 S- 0 0 62 -54,-0.1 4,-2.6 -10,-0.1 -1,-0.2 -0.819 83.9 -53.0-159.7-164.1 7.6 -5.8 9.3
103 103 T H > S+ 0 0 15 1,-0.2 4,-1.9 -2,-0.2 5,-0.2 0.896 125.9 43.8 -56.9 -51.2 6.4 -8.3 11.8
104 104 V H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.934 113.9 52.3 -63.5 -42.1 4.7 -5.9 14.2
105 105 H H 4 S+ 0 0 68 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.875 105.4 54.4 -63.3 -36.9 3.2 -4.1 11.4
106 106 G H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.964 112.0 44.2 -62.3 -44.9 1.7 -7.2 9.9
107 107 L H X S+ 0 0 12 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.876 108.0 58.7 -66.3 -38.8 0.0 -8.1 13.1
108 108 W H X S+ 0 0 68 -4,-2.7 4,-2.8 1,-0.3 5,-0.2 0.975 107.0 46.1 -61.5 -52.4 -1.2 -4.5 13.7
109 109 P H > S+ 0 0 11 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.832 107.7 58.4 -57.5 -26.8 -3.1 -4.5 10.5
110 110 S H X S+ 0 0 2 -4,-1.3 4,-2.7 -5,-0.2 5,-0.2 0.958 110.6 42.3 -62.5 -46.7 -4.5 -7.9 11.3
111 111 T H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.862 110.7 56.9 -65.9 -35.1 -5.9 -6.5 14.5
112 112 K H < S+ 0 0 47 -4,-2.8 11,-1.5 -5,-0.2 4,-0.3 0.952 110.7 45.5 -60.0 -44.3 -7.0 -3.4 12.6
113 113 V H < S+ 0 0 13 -4,-2.6 13,-1.8 -5,-0.2 10,-0.4 0.986 125.1 28.4 -61.0 -61.2 -9.0 -5.7 10.3
114 114 G H < S- 0 0 2 -4,-2.7 13,-1.1 12,-0.2 12,-0.3 0.952 133.0 -58.0 -69.4 -52.0 -10.6 -7.9 12.9
115 115 R < - 0 0 57 -4,-2.4 -1,-0.2 -5,-0.2 -3,-0.2 -0.553 48.4-165.3 167.9 122.4 -10.8 -5.5 15.8
116 116 D - 0 0 4 -4,-0.3 2,-0.8 -2,-0.2 6,-0.1 -0.982 27.0-125.1-127.5 124.5 -8.1 -3.6 17.6
117 117 P S S+ 0 0 73 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.602 72.3 89.8 -68.9 113.1 -8.8 -2.0 20.9
118 118 E S S- 0 0 95 -2,-0.8 4,-0.1 1,-0.1 -2,-0.1 -0.899 91.7 -88.8 173.8 167.3 -7.8 1.6 20.3
119 119 Y S S+ 0 0 226 -2,-0.3 2,-0.7 2,-0.1 -1,-0.1 0.949 110.8 82.3 -61.8 -45.3 -9.4 4.8 19.2
120 120 C S S- 0 0 75 -3,-0.1 -4,-0.2 1,-0.1 -1,-0.0 -0.479 93.2-135.4 -61.2 109.8 -8.4 3.9 15.7
121 121 K - 0 0 129 -2,-0.7 2,-0.2 1,-0.1 -2,-0.1 -0.209 6.0-113.0 -71.6 157.5 -11.4 1.7 15.3
122 122 T - 0 0 4 -4,-0.1 2,-1.9 -6,-0.1 -9,-0.2 -0.509 49.3 -88.8 -82.0 159.8 -11.4 -1.8 13.7
123 123 K S S- 0 0 76 -11,-1.5 -1,-0.1 -10,-0.4 -11,-0.0 -0.519 80.8 -59.8 -83.2 88.3 -13.2 -1.9 10.5
124 124 R S S- 0 0 108 -2,-1.9 -1,-0.2 1,-0.2 -9,-0.1 0.835 101.1 -64.0 46.0 45.6 -16.7 -2.7 11.6
125 125 Y - 0 0 88 -13,-0.2 -11,-0.2 1,-0.1 6,-0.2 0.954 50.6-154.5 37.6 101.7 -15.3 -5.9 13.1
126 126 R + 0 0 12 -13,-1.8 -12,-0.2 -12,-0.3 -1,-0.1 0.770 62.5 121.7 -66.5 -21.8 -14.0 -7.8 10.2
127 127 K >> - 0 0 5 -13,-1.1 4,-1.7 -14,-0.2 3,-0.6 -0.195 65.1-145.7 -47.0 123.4 -14.6 -10.6 12.6
128 128 I H 3> S+ 0 0 0 1,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.789 95.0 71.5 -63.3 -31.0 -17.0 -12.9 10.9
129 129 Q H 34 S+ 0 0 55 -104,-0.4 -1,-0.3 1,-0.2 5,-0.1 0.926 105.0 37.1 -55.2 -46.5 -18.4 -13.5 14.3
130 130 R H <> S+ 0 0 97 -3,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.911 113.5 60.7 -70.0 -37.2 -19.9 -10.1 14.4
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