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 .
461 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
20425.2 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
260 56.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES .
29 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES .
15 3.3 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 .
1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES .
2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES .
1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES .
1 0.2 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 .
37 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES .
29 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES .
127 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES .
8 1.7 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 1 1 1 1 3 1 0 0 1 0 2 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX .
1 1 1 1 0 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 PARALLEL BRIDGES PER LADDER .
3 0 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 ANTIPARALLEL BRIDGES PER LADDER .
1 0 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 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 A 0 0 102 0, 0.0 4,-0.1 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 159.6 33.8 28.1 50.2
2 2 A + 0 0 46 24,-0.2 2,-0.1 2,-0.1 149,-0.0 0.856 360.0 78.7 -63.3 -37.3 31.0 27.8 47.5
3 3 F S S- 0 0 120 23,-0.2 2,-0.1 1,-0.1 23,-0.1 -0.411 94.5-103.2 -61.9 150.5 30.3 31.1 49.1
4 4 M - 0 0 37 21,-0.2 -1,-0.1 1,-0.1 357,-0.1 -0.399 17.4-158.5 -80.1 145.3 32.3 34.1 48.1
5 5 K S S- 0 0 159 354,-0.2 2,-0.2 1,-0.2 -1,-0.1 0.795 85.9 -41.3 -64.6 -52.7 35.1 36.0 49.5
6 6 P + 0 0 20 0, 0.0 -1,-0.2 0, 0.0 353,-0.1 -0.552 67.3 136.8 173.0 116.3 33.9 38.8 47.1
7 7 V S >>S+ 0 0 6 -2,-0.2 4,-2.6 16,-0.1 5,-1.1 0.240 92.5 87.4 -80.3 -35.3 32.6 39.6 43.8
8 8 I H >5S+ 0 0 79 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.792 101.4 6.4 5.5-117.6 30.7 41.5 46.6
9 9 E H >5S+ 0 0 148 1,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.870 133.2 52.4 -62.5 -26.9 32.5 44.9 47.4
10 10 D H >5S+ 0 0 46 2,-0.3 4,-1.4 1,-0.3 -1,-0.2 0.934 112.5 31.9 -95.8 -50.6 35.0 44.6 44.7
11 11 V H X5S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -1,-0.3 0.770 117.0 64.7 -78.5 -16.9 33.4 44.0 41.4
12 12 D H X< S+ 0 0 143 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.922 112.8 45.6 -59.1 -49.0 32.8 49.0 43.0
14 14 L H 3< S+ 0 0 106 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.767 98.5 73.4 -71.2 -28.9 34.2 48.7 39.5
15 15 L H 3< S- 0 0 7 -4,-2.1 2,-1.6 1,-0.2 -1,-0.3 0.766 88.2-153.8 -55.1 -25.9 30.6 48.2 38.3
16 16 A S << S+ 0 0 71 -3,-1.3 2,-0.4 -4,-0.6 -1,-0.2 -0.329 79.3 49.6 85.4 -55.2 30.1 51.9 38.9
17 17 T S S- 0 0 74 -2,-1.6 3,-0.1 -3,-0.1 2,-0.0 -0.943 96.3-120.8-110.4 129.8 26.4 51.2 39.4
18 18 G - 0 0 53 -2,-0.4 2,-0.1 1,-0.1 -6,-0.0 -0.356 39.4 -88.1 -72.8 162.0 25.5 48.4 41.8
19 19 V - 0 0 32 2,-0.1 -1,-0.1 1,-0.1 65,-0.1 -0.408 18.3-144.3 -72.3 141.8 23.4 45.5 40.4
20 20 D S S+ 0 0 91 -2,-0.1 29,-1.3 -3,-0.1 2,-0.3 0.338 90.0 51.1 -83.9 7.7 19.6 45.6 40.4
21 21 V E S-A 48 0A 10 27,-0.2 2,-0.4 28,-0.1 27,-0.3 -0.955 96.2-101.3-142.8 160.3 19.7 41.9 41.1
22 22 T E -A 47 0A 44 25,-2.7 25,-2.4 -2,-0.3 2,-0.2 -0.707 37.0-163.3-100.2 129.9 21.5 39.8 43.8
23 23 I E -A 46 0A 34 -2,-0.4 2,-0.4 23,-0.2 23,-0.2 -0.676 8.1-169.4-118.8 149.4 24.7 38.0 42.7
24 24 Y - 0 0 68 21,-1.5 2,-0.3 -2,-0.2 20,-0.2 -0.999 2.6-166.6-135.7 143.7 26.8 35.0 44.3
25 25 N + 0 0 0 -2,-0.4 2,-0.3 19,-0.1 -21,-0.2 -0.912 33.7 95.0-122.4 153.8 30.2 33.7 43.4
26 26 G - 0 0 0 -2,-0.3 2,-0.3 14,-0.3 -24,-0.2 -0.965 61.9 -61.7 165.5-146.7 31.8 30.5 44.5
27 27 Q - 0 0 16 -2,-0.3 2,-0.3 -26,-0.1 13,-0.1 -0.835 25.9-151.6-130.8 161.9 32.4 27.0 43.5
28 28 L - 0 0 2 -2,-0.3 2,-0.5 11,-0.1 11,-0.4 -0.901 25.7-122.8-129.4 160.3 30.3 23.9 42.8
29 29 D + 0 0 92 -2,-0.3 2,-0.3 8,-0.1 8,-0.1 -0.819 37.8 154.3-124.4 99.5 31.5 20.5 43.3
30 30 V - 0 0 8 -2,-0.5 2,-0.4 6,-0.2 -2,-0.1 -0.767 33.3-147.1 -66.4 150.9 31.9 17.3 41.2
31 31 I + 0 0 149 -2,-0.3 4,-0.1 1,-0.1 -2,-0.0 -0.992 33.5 168.5-118.4 137.1 34.6 15.2 42.7
32 32 C - 0 0 55 -2,-0.4 -1,-0.1 108,-0.0 5,-0.0 0.819 65.7 -24.1-114.8-120.9 36.1 13.6 39.8
33 33 S S S- 0 0 101 93,-0.1 96,-0.0 3,-0.1 91,-0.0 0.092 116.0 -85.9 -80.1 10.4 39.0 11.6 38.9
34 34 T S S+ 0 0 101 2,-0.1 -4,-0.0 91,-0.0 0, 0.0 -0.091 106.8 118.9 125.3 -16.4 39.4 13.9 42.1
35 35 S - 0 0 6 1,-0.2 2,-0.4 89,-0.1 92,-0.1 0.782 60.2-147.8 -62.9 -40.9 40.5 16.9 40.1
36 36 G + 0 0 10 88,-0.2 -6,-0.2 89,-0.1 88,-0.2 -0.992 31.5 26.0 128.1-130.7 37.7 19.3 41.1
37 37 T B -B 123 0B 16 86,-0.8 86,-0.7 -2,-0.4 -8,-0.1 -0.519 20.4-171.5-133.5 137.4 35.6 22.1 40.1
38 38 E + 0 0 17 -10,-0.4 77,-0.3 -2,-0.2 2,-0.3 0.558 52.3 107.7-113.5 -6.7 34.0 23.8 37.1
39 39 A + 0 0 0 -11,-0.4 5,-0.1 1,-0.1 -2,-0.1 -0.578 39.1 152.8 -73.7 131.7 32.4 27.1 38.2
40 40 W + 0 0 0 -2,-0.3 2,-0.4 1,-0.2 -14,-0.3 0.449 41.8 3.4-117.1-101.0 34.4 30.3 37.1
41 41 V S S- 0 0 4 1,-0.2 -1,-0.2 2,-0.2 71,-0.1 -0.777 120.1 -24.5-129.7 115.7 33.4 33.8 36.3
42 42 H S S+ 0 0 2 -2,-0.4 70,-0.3 1,-0.2 -1,-0.2 0.673 110.3 123.2 69.4 1.1 30.0 35.8 36.6
43 43 K + 0 0 0 68,-0.1 -2,-0.2 -17,-0.1 -1,-0.2 0.259 41.2 76.9-104.1 0.3 29.4 32.1 36.2
44 44 L S S- 0 0 1 -20,-0.2 68,-0.4 1,-0.2 -19,-0.1 -0.303 93.4 -57.2 -98.8-173.0 27.3 31.3 39.1
45 45 R + 0 0 16 -2,-0.1 -21,-1.5 66,-0.1 2,-0.3 -0.304 52.6 173.7 -61.4 147.5 23.6 31.8 40.2
46 46 W E -A 23 0A 2 -23,-0.2 2,-0.4 -3,-0.1 -23,-0.2 -0.863 7.5-168.8-169.5 112.2 22.4 35.3 40.2
47 47 E E -A 22 0A 18 -25,-2.4 -25,-2.7 -2,-0.3 5,-0.1 -0.966 29.9 -86.6-140.9 145.0 18.7 36.5 40.8
48 48 G E > -A 21 0A 17 -2,-0.4 4,-0.6 4,-0.3 -27,-0.2 0.050 21.2-149.3 -45.1 130.3 16.5 39.4 40.5
49 49 L T 4 S+ 0 0 106 -29,-1.3 2,-0.2 1,-0.2 -1,-0.2 -0.047 88.5 64.6 -99.5 25.5 16.5 41.7 43.5
50 50 E T 4 S- 0 0 160 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.754 132.0 -38.0-142.1 121.1 13.0 42.5 42.6
51 51 E T >4 S- 0 0 137 -2,-0.2 3,-0.5 1,-0.1 -2,-0.1 0.935 73.5-172.3 44.0 60.0 10.4 39.7 42.7
52 52 F T 3< + 0 0 90 -4,-0.6 -4,-0.3 1,-0.2 3,-0.1 0.761 62.9 20.9 -65.8 -29.3 13.0 37.3 41.4
53 53 K T 3 S+ 0 0 73 1,-0.1 -1,-0.2 -5,-0.1 -2,-0.1 -0.418 75.8 95.1-154.5 95.7 10.7 34.4 41.0
54 54 K < + 0 0 149 -3,-0.5 -1,-0.1 -2,-0.1 -2,-0.1 -0.232 57.4 113.0-101.7 21.9 7.1 34.3 40.6
55 55 M > + 0 0 62 1,-0.1 3,-1.1 -3,-0.1 -2,-0.1 0.905 46.7 173.5 -60.4 -37.0 7.9 34.3 36.9
56 56 E T 3 S+ 0 0 148 1,-0.3 -1,-0.1 2,-0.1 -3,-0.0 0.607 75.1 20.8 71.9 12.8 6.4 30.9 37.5
57 57 R T 3 S+ 0 0 54 102,-0.1 -1,-0.3 346,-0.0 -2,-0.1 0.140 104.3 74.9 164.4 -73.2 6.7 30.6 33.6
58 58 E S < S- 0 0 41 -3,-1.1 2,-0.1 1,-0.1 -2,-0.1 0.933 90.8-146.7 -62.0 -54.9 9.2 33.0 32.1
59 59 P - 0 0 6 0, 0.0 50,-1.3 0, 0.0 2,-0.4 -0.417 17.2 -81.3 148.0 170.7 12.2 31.0 33.3
60 60 L E -cd 109 160C 0 99,-2.3 101,-2.1 48,-0.2 2,-0.4 -0.996 47.6-158.3-115.8 125.7 15.7 30.1 34.5
61 61 F E - d 0 161C 2 48,-2.1 2,-0.5 -2,-0.4 101,-0.1 -0.741 11.6-163.5-115.9 124.0 18.0 30.1 31.6
62 62 C E - d 0 162C 8 99,-2.0 101,-2.7 -2,-0.4 2,-0.4 -0.961 8.3-170.0-116.6 138.8 21.3 28.3 31.3
63 63 E E -ed 112 163C 5 48,-3.5 50,-2.2 -2,-0.5 2,-0.4 -0.984 4.5-177.7-125.7 129.2 23.8 29.4 28.6
64 64 S E -ed 113 164C 7 99,-1.6 101,-0.8 -2,-0.4 2,-0.5 -0.967 11.2-158.2-123.6 135.7 27.0 27.5 27.7
65 65 D E + d 0 165C 2 48,-0.9 6,-0.5 -2,-0.4 2,-0.4 -0.987 17.4 167.7-115.6 121.1 29.6 28.5 25.0
66 66 R E - d 0 166C 0 99,-1.5 101,-2.6 -2,-0.5 2,-0.8 -0.949 40.0-129.0-130.5 105.1 31.8 25.7 23.6
67 67 A S > S- 0 0 1 -2,-0.4 3,-1.0 1,-0.4 2,-0.5 -0.594 72.5 -64.9 -83.0 107.3 33.5 27.2 20.5
68 68 T T 3 S+ 0 0 4 -2,-0.8 -1,-0.4 1,-0.3 98,-0.1 0.010 140.7 10.2 -17.2 9.6 32.5 24.4 18.5
69 69 R T 3 S- 0 0 3 -2,-0.5 2,-0.4 1,-0.1 -1,-0.3 0.326 130.2 -4.4-128.5 -91.6 34.9 23.3 21.2
70 70 G < + 0 0 0 -3,-1.0 2,-0.3 -4,-0.4 -4,-0.2 -0.955 68.0 127.1-138.6 149.8 36.0 25.5 24.1
71 71 F - 0 0 15 -6,-0.5 2,-0.9 43,-0.5 -6,-0.3 -0.997 52.4 -71.8-176.8 146.3 35.5 28.9 25.1
72 72 T > + 0 0 3 299,-1.0 4,-0.6 -2,-0.3 3,-0.4 -0.654 28.4 172.9 -75.5 111.2 34.5 32.1 27.1
73 73 K H >> S+ 0 0 0 -2,-0.9 4,-2.6 1,-0.2 3,-0.5 0.728 80.1 70.5 -80.0 -20.4 30.9 32.3 27.5
74 74 S H 3> S+ 0 0 1 1,-0.3 4,-3.7 2,-0.2 5,-0.3 0.792 90.8 62.6 -57.6 -29.7 31.6 35.2 29.7
75 75 Y H 3> S+ 0 0 4 -3,-0.4 4,-3.0 2,-0.2 5,-0.4 0.912 101.3 49.0 -64.8 -43.5 32.6 36.8 26.4
76 76 K H S+ 0 0 18 -4,-0.6 5,-2.3 -3,-0.5 4,-1.5 0.940 119.1 42.2 -61.8 -46.2 29.0 36.4 25.2
77 77 N H <5S+ 0 0 0 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.951 120.5 36.5 -60.8 -45.9 27.9 37.9 28.5
78 78 L H <5S+ 0 0 0 -4,-3.7 -3,-0.2 1,-0.2 -2,-0.2 0.804 117.1 51.0 -88.2 -33.3 30.3 40.7 28.9
79 79 H H <5S- 0 0 27 -4,-3.0 -1,-0.2 -5,-0.3 -3,-0.2 0.845 139.0 -35.8 -81.4 -34.4 30.6 41.7 25.2
80 80 F T <5S+ 0 0 31 -4,-1.5 2,-1.4 -5,-0.4 -3,-0.2 0.394 123.4 67.1-148.7 -35.2 26.9 42.0 24.6
81 81 Y S - 0 0 45 -2,-0.4 3,-1.0 -18,-0.3 -1,-0.0 -0.848 2.9-151.8 -96.7 123.0 22.2 47.2 27.9
101 101 H T 3 S+ 0 0 142 -2,-0.6 -1,-0.2 1,-0.2 -2,-0.0 0.804 86.8 50.2 -60.5 -35.5 18.5 47.7 27.3
102 102 Y T 3 S+ 0 0 104 4,-0.0 -1,-0.2 3,-0.0 2,-0.2 -0.035 71.7 150.6-102.3 31.3 17.6 44.1 26.0
103 103 K X - 0 0 23 -3,-1.0 3,-1.8 1,-0.1 4,-0.3 -0.446 45.0-141.0 -62.6 130.8 19.3 42.0 28.6
104 104 S G >> S+ 0 0 11 1,-0.3 3,-3.0 2,-0.2 4,-2.5 0.894 102.9 65.6 -59.8 -42.7 17.6 38.6 29.1
105 105 P G 34 S+ 0 0 12 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.462 82.0 81.5 -57.2 -1.5 18.1 38.8 32.8
106 106 Y G <4 S+ 0 0 157 -3,-1.8 -2,-0.2 1,-0.1 -3,-0.1 0.910 118.1 6.8 -60.9 -43.4 15.8 41.7 32.3
107 107 R T <4 S+ 0 0 64 -3,-3.0 2,-0.3 -4,-0.3 -3,-0.1 0.459 133.3 43.6-113.8 -8.3 13.2 39.0 32.4
108 108 V S < S- 0 0 8 -4,-2.5 2,-0.9 -5,-0.1 -48,-0.2 -0.909 76.2-110.0-137.7 162.4 15.1 35.8 33.4
109 109 E B -c 60 0C 9 -50,-1.3 -48,-2.1 -2,-0.3 -62,-0.1 -0.830 42.7-156.2 -91.7 102.3 17.8 34.4 35.6
110 110 N - 0 0 4 -2,-0.9 2,-0.5 -50,-0.2 -48,-0.2 -0.676 10.1-162.2 -84.2 124.7 20.8 33.7 33.3
111 111 P - 0 0 1 0, 0.0 -48,-3.5 0, 0.0 2,-0.6 -0.891 2.3-165.5 -99.9 131.0 23.6 31.1 34.0
112 112 S E -e 63 0C 0 -2,-0.5 -48,-0.2 -68,-0.4 -71,-0.1 -0.878 12.1-166.7-115.7 102.5 26.8 31.4 32.0
113 113 K E -e 64 0C 4 -50,-2.2 -48,-0.9 -2,-0.6 -74,-0.1 -0.684 18.9-151.4 -94.9 132.0 28.8 28.3 32.4
114 114 P - 0 0 1 0, 0.0 -43,-0.5 0, 0.0 -49,-0.2 0.951 42.6-144.3 -54.4 -60.3 32.5 27.9 31.3
115 115 W > + 0 0 4 -77,-0.3 4,-0.9 1,-0.2 2,-0.5 -0.180 43.4 8.1 83.0-164.8 32.6 24.1 30.5
116 116 P T 4 S- 0 0 10 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.013 106.8 -43.6 -48.1 -41.0 34.5 21.0 30.5
117 117 I T 4 S+ 0 0 32 -2,-0.5 6,-0.2 -3,-0.1 3,-0.1 -0.714 114.2 1.9-179.9 110.4 37.7 21.6 32.5
118 118 I T 4 + 0 0 5 4,-0.4 2,-0.4 1,-0.4 258,-0.1 0.876 68.6 153.2 59.9 44.0 40.1 24.4 32.4
119 119 L S >< S- 0 0 0 -4,-0.9 2,-3.2 -81,-0.1 3,-1.0 -0.805 82.4 -35.8 -62.4 133.4 38.4 26.5 30.0
120 120 W T 3 S- 0 0 8 250,-0.5 252,-0.1 -2,-0.4 251,-0.1 -0.081 138.0 -3.7 61.4 -66.6 39.7 30.0 31.1
121 121 L T 3 S+ 0 0 1 -2,-3.2 2,-0.4 248,-0.1 -1,-0.2 0.191 105.8 88.0-150.0 22.2 39.8 29.6 34.9
122 122 Q < + 0 0 2 -3,-1.0 -4,-0.4 -7,-0.1 2,-0.3 -0.942 45.7 117.3-142.4 138.9 38.6 26.2 36.2
123 123 G B -B 37 0B 8 -86,-0.7 -86,-0.8 -2,-0.4 4,-0.1 -0.922 44.1 -72.3-177.7-157.4 40.3 23.0 36.7
124 124 G - 0 0 12 -2,-0.3 3,-0.3 -88,-0.2 -88,-0.2 -0.699 34.5-118.8-117.4 163.0 41.6 20.1 38.7
125 125 P S S+ 0 0 109 0, 0.0 2,-0.6 0, 0.0 3,-0.1 0.779 122.5 57.2 -56.5 -25.3 44.2 19.3 41.2
126 126 G + 0 0 22 1,-0.2 3,-0.4 3,-0.0 -91,-0.1 -0.730 68.5 177.8-107.9 75.4 44.9 17.0 38.1
127 127 A + 0 0 53 -2,-0.6 -1,-0.2 -3,-0.3 -10,-0.0 0.813 66.4 81.4 -62.8 -42.6 45.4 19.5 35.1
128 128 S S S+ 0 0 125 -3,-0.1 -1,-0.2 -4,-0.0 -2,-0.0 0.791 71.1 72.8 39.0-120.5 46.0 16.4 33.1
129 129 G + 0 0 27 -3,-0.4 2,-0.2 -96,-0.0 -5,-0.0 0.390 31.2 138.6 -80.9 170.2 43.1 14.5 31.9
130 130 V + 0 0 66 249,-0.0 2,-0.3 -14,-0.0 -13,-0.0 -0.780 22.0 98.3-161.7 158.2 40.0 14.1 29.6
131 131 G + 0 0 18 -2,-0.2 5,-0.3 2,-0.1 6,-0.1 -0.952 39.0 87.0 169.0-140.0 38.0 11.8 27.5
132 132 I S >> S- 0 0 155 -2,-0.3 4,-1.3 3,-0.1 3,-0.9 0.842 81.7-164.9 45.0 41.8 35.3 9.4 26.4
133 133 G H 3> + 0 0 12 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.445 55.6 40.3 -78.7 -42.5 34.4 12.8 25.7
134 134 N H 3> S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.937 120.1 43.6 -63.0 -45.9 30.7 13.5 25.0
135 135 F H <> S+ 0 0 115 -3,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.907 114.6 47.2 -65.9 -42.8 29.4 11.1 27.6
136 136 Q H < S+ 0 0 85 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.882 112.0 52.0 -67.8 -36.4 31.7 12.1 30.4
137 137 E H X S+ 0 0 6 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.913 108.5 51.5 -64.0 -40.7 31.1 15.8 29.7
138 138 V H X S+ 0 0 10 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.924 112.0 45.0 -62.5 -45.9 27.4 15.2 29.9
139 139 G H X S+ 0 0 30 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.916 112.9 51.8 -64.7 -43.7 27.6 13.5 33.2
140 140 P H > S+ 0 0 42 0, 0.0 4,-2.4 0, 0.0 -2,-0.2 0.900 111.3 46.0 -61.0 -42.1 30.0 16.1 34.5
141 141 L H X S+ 0 0 5 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.896 113.8 51.7 -66.4 -38.9 27.6 19.0 33.5
142 142 D H X S+ 0 0 18 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.928 110.2 45.4 -61.1 -45.8 24.8 17.0 35.0
143 143 T H < S+ 0 0 52 -4,-3.1 -2,-0.2 2,-0.2 5,-0.2 0.899 112.8 51.9 -63.9 -41.6 26.6 16.5 38.2
144 144 F H X S+ 0 0 3 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.875 107.7 53.7 -56.8 -41.1 27.6 20.3 38.2
145 145 L H X S+ 0 0 6 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.892 106.6 52.9 -63.4 -39.9 23.9 21.1 37.7
146 146 K H X S+ 0 0 84 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.897 109.1 47.1 -62.0 -40.9 23.0 19.0 40.8
147 147 P H > S+ 0 0 24 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.825 107.5 57.7 -74.8 -26.0 25.5 20.9 42.9
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149 149 N H X S+ 0 0 13 -4,-1.8 4,-3.3 2,-0.2 -1,-0.2 0.888 111.3 51.2 -59.6 -46.8 20.7 23.0 42.8
150 150 S H < S+ 0 0 74 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.889 116.6 41.6 -59.1 -43.2 22.2 22.1 46.2
151 151 K H < S+ 0 0 29 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.876 123.8 35.8 -72.0 -41.7 23.9 25.5 46.3
152 152 N H < S+ 0 0 10 -4,-3.8 2,-1.4 -5,-0.2 -3,-0.2 0.997 72.9 164.8 -61.9 -65.9 21.0 27.5 45.1
153 153 Q >< + 0 0 106 -4,-3.3 3,-1.0 -5,-0.2 4,-0.2 -0.431 66.9 67.9 62.4 -46.3 18.4 25.4 46.7
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155 155 L G > S+ 0 0 7 1,-0.2 3,-0.6 -6,-0.1 -1,-0.2 0.211 73.5 102.9 -91.1 16.3 15.8 27.6 42.3
156 156 N G < S+ 0 0 28 -3,-1.0 35,-0.6 1,-0.2 -1,-0.2 0.872 85.0 46.0 -60.2 -37.1 15.1 24.0 42.3
157 157 Q G < S+ 0 0 111 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.1 0.519 86.4 110.0 -86.1 -6.6 11.5 24.6 41.4
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169 169 G H 3> S+ 0 0 0 -3,-0.3 4,-1.4 -103,-0.2 -1,-0.2 0.991 103.8 28.5 -52.9 -59.2 24.8 21.5 20.0
170 170 K H <> S+ 0 0 1 -3,-0.6 4,-1.6 1,-0.2 5,-0.2 0.860 123.5 52.2 -68.2 -41.2 26.1 18.1 21.1
171 171 I H X S+ 0 0 2 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.820 107.3 52.3 -67.3 -32.2 26.5 19.0 24.8
172 172 A H X S+ 0 0 0 -4,-3.3 4,-1.9 2,-0.2 -1,-0.2 0.925 109.9 44.2 -74.0 -44.8 22.9 20.3 25.2
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176 176 G H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.883 101.7 56.4 -61.3 -40.5 19.2 17.0 28.4
177 177 L H X S+ 0 0 66 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.914 109.3 45.9 -60.4 -45.3 18.6 13.3 28.1
178 178 S H X S+ 0 0 25 -4,-1.4 4,-1.1 1,-0.2 3,-0.3 0.886 109.8 54.1 -64.8 -40.0 20.2 12.8 31.5
179 179 V H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.836 102.2 58.8 -64.9 -33.8 18.3 15.7 33.0
180 180 I H X S+ 0 0 4 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.853 97.9 59.3 -61.0 -37.4 15.0 14.2 31.9
181 181 D H X S+ 0 0 88 -4,-1.2 4,-1.5 -3,-0.3 -1,-0.2 0.872 104.6 51.2 -54.7 -42.9 15.7 11.1 33.8
182 182 A H X S+ 0 0 4 -4,-1.1 4,-1.5 1,-0.2 6,-0.7 0.921 112.3 44.6 -61.0 -46.8 15.9 13.2 37.0
183 183 V H < S+ 0 0 5 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.846 107.3 59.6 -69.6 -34.3 12.6 14.9 36.4
184 184 Q H < S+ 0 0 101 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.898 110.7 40.7 -58.3 -44.8 10.8 11.6 35.4
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186 186 G S < S+ 0 0 27 -4,-1.5 -3,-0.1 -5,-0.2 -1,-0.1 0.042 72.3 100.6 74.3 -18.7 10.8 13.1 40.6
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188 188 L S S- 0 0 82 -6,-0.7 -1,-0.2 -7,-0.2 -5,-0.2 0.773 91.5-155.3 -77.6 -27.8 15.7 14.3 41.9
189 189 K + 0 0 129 -7,-0.6 2,-0.5 1,-0.2 -6,-0.1 0.935 38.6 145.4 54.6 42.5 13.4 17.3 41.6
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205 205 R H > S+ 0 0 104 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.932 112.7 42.6 -69.8 -49.5 27.2 15.6 7.4
206 206 S H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.905 117.1 51.4 -60.6 -42.4 24.3 17.9 6.7
207 207 L H X S+ 0 0 1 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.925 111.0 44.9 -59.4 -51.0 26.5 20.8 7.9
208 208 S H X S+ 0 0 3 -4,-2.3 4,-1.3 -5,-0.2 -2,-0.2 0.905 117.2 46.0 -60.8 -43.4 29.6 19.9 5.5
209 209 D H X S+ 0 0 5 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.877 112.6 46.7 -72.0 -39.6 27.3 19.3 2.5
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211 211 E H X S+ 0 0 5 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.898 100.8 51.0 -53.2 -48.6 28.1 24.5 3.4
212 212 D H X S+ 0 0 3 -4,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.935 114.1 45.7 -56.8 -44.7 29.6 23.7 -0.1
213 213 V H X S+ 0 0 54 -4,-1.4 4,-1.8 1,-0.2 5,-0.3 0.888 109.5 53.6 -64.2 -40.8 26.3 24.7 -1.6
214 214 E H X S+ 0 0 21 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.814 106.5 56.2 -64.6 -26.1 26.1 27.9 0.6
215 215 G H X>S+ 0 0 5 -4,-1.8 5,-3.5 -5,-0.2 4,-1.2 0.954 108.7 42.4 -70.8 -48.8 29.5 28.9 -0.8
216 216 D H <5S+ 0 0 33 -4,-1.6 -2,-0.2 3,-0.3 -1,-0.2 0.906 117.2 45.9 -63.4 -44.7 28.7 28.7 -4.5
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218 218 D H <5S- 0 0 87 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.716 122.2-124.1 -78.4 -16.2 26.9 33.1 -1.9
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223 223 G H > S+ 0 0 67 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.845 125.5 53.9 -57.3 -39.6 31.0 28.2 -12.0
224 224 V H > S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.930 113.7 40.9 -62.3 -47.1 34.3 26.4 -12.9
225 225 I H > S+ 0 0 48 -3,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.910 117.7 48.3 -67.3 -42.3 34.9 25.2 -9.3
226 226 K H X S+ 0 0 20 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.875 110.5 53.1 -64.8 -37.2 31.2 24.4 -8.9
227 227 K H X S+ 0 0 139 -4,-2.8 4,-2.7 -5,-0.3 -2,-0.2 0.938 111.7 43.4 -65.1 -47.0 31.3 22.5 -12.3
228 228 K H X S+ 0 0 96 -4,-2.2 4,-3.2 2,-0.2 -1,-0.2 0.880 113.0 53.5 -64.3 -38.3 34.2 20.3 -11.3
229 229 L H <>S+ 0 0 1 -4,-2.3 5,-0.5 2,-0.2 -2,-0.2 0.912 110.6 45.9 -62.6 -44.9 32.6 19.7 -7.9
230 230 K H X5S+ 0 0 114 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.910 116.7 46.5 -63.7 -43.1 29.4 18.6 -9.5
231 231 I H <5S+ 0 0 114 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.883 123.0 31.4 -65.6 -41.0 31.4 16.4 -11.9
232 232 I T <5S+ 0 0 46 -4,-3.2 -3,-0.2 -5,-0.1 -2,-0.2 0.907 131.2 24.8 -83.4 -46.4 33.7 14.9 -9.4
233 233 P T 45S+ 0 0 4 0, 0.0 7,-2.4 0, 0.0 2,-0.4 0.459 107.3 75.1 -98.1 -7.1 31.7 14.6 -6.1
234 234 N B << +H 239 0D 30 -4,-1.0 5,-0.2 -5,-0.5 4,-0.0 -0.891 41.8 166.9-117.7 141.2 28.1 14.6 -7.2
235 235 D S S+ 0 0 134 3,-1.7 -1,-0.1 -2,-0.4 4,-0.1 0.714 76.8 1.2-114.6 -39.6 26.4 11.6 -8.8
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239 239 G B -H 234 0D 13 -2,-0.4 2,-1.0 -5,-0.2 -5,-0.3 -0.922 13.7-138.7-116.2 139.6 26.9 15.4 -3.7
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247 247 T H > S+ 0 0 113 -2,-0.4 4,-1.8 1,-0.2 5,-0.1 0.920 100.1 33.7 -59.1 -53.6 41.4 12.2 -5.4
248 248 A H > S+ 0 0 50 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.885 116.6 57.4 -67.4 -35.1 40.4 15.3 -7.6
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257 257 Y H X S+ 0 0 27 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.924 111.6 48.0 -61.6 -46.2 38.5 24.8 2.7
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260 260 I H <5S+ 0 0 9 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.903 124.6 27.4 -73.0 -42.2 36.3 29.6 3.3
261 261 L H <5S+ 0 0 11 -4,-2.5 6,-0.4 -5,-0.2 -3,-0.2 0.960 131.6 13.4 -78.0 -52.0 38.6 29.7 6.3
262 262 C T <5S+ 0 0 6 -4,-1.5 -3,-0.2 -5,-0.3 -2,-0.1 0.271 83.4 99.0-131.2 -8.0 41.8 31.5 5.6
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271 271 E T 3 S+ 0 0 112 142,-0.1 -1,-0.2 63,-0.1 2,-0.2 0.550 96.5 79.9 -72.2 -11.5 29.7 40.3 5.2
272 272 T S < S- 0 0 8 -3,-0.8 -6,-0.5 -6,-0.2 -3,-0.1 -0.645 82.9-103.4-119.5 149.8 32.3 41.5 7.8
273 273 K - 0 0 141 -2,-0.2 2,-0.3 -8,-0.1 54,-0.1 -0.448 37.2-123.1 -68.7 142.9 36.0 42.4 7.9
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275 275 V S S+ 0 0 11 -2,-0.3 54,-0.5 1,-0.2 55,-0.3 -0.908 90.2 0.4-111.1 124.8 40.2 41.1 12.3
276 276 R S S- 0 0 114 -2,-0.6 -1,-0.2 1,-0.2 52,-0.1 -0.042 99.0-148.5 69.7 -14.8 43.9 40.8 12.0
277 277 K + 0 0 123 1,-0.1 2,-0.4 -13,-0.1 -1,-0.2 0.735 24.6 179.3 55.3 69.8 43.3 39.2 8.8
278 278 I - 0 0 39 2,-0.2 -14,-0.8 -3,-0.1 -1,-0.1 -0.870 30.3-139.2-110.0 154.9 45.7 36.5 7.6
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415 415 P S S+ 0 0 18 0, 0.0 3,-0.3 0, 0.0 -147,-0.2 0.410 80.8 59.8 -72.2 1.7 29.1 30.3 6.9
416 416 E S S+ 0 0 9 1,-0.9 2,-0.6 -149,-0.2 -205,-0.1 0.949 123.0 9.3-105.8 -78.0 29.8 27.7 9.6
417 417 D S S- 0 0 9 -218,-0.1 -1,-0.9 -149,-0.1 2,-0.3 -0.967 97.1-164.0 -78.8 123.8 26.8 26.4 11.0
418 418 F > - 0 0 8 -2,-0.6 4,-1.6 -3,-0.3 5,-0.2 -0.773 26.1-118.8-105.7 158.0 24.6 28.2 8.2
419 419 V H > S+ 0 0 12 -7,-0.5 4,-3.0 -8,-0.3 -1,-0.1 0.868 109.7 55.8 -61.2 -38.9 20.9 28.6 8.5
420 420 F H 4 S+ 0 0 100 2,-0.2 5,-0.3 1,-0.2 -1,-0.2 0.879 105.4 50.5 -63.4 -42.0 20.1 26.6 5.4
421 421 S H > S+ 0 0 3 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.928 117.7 39.6 -61.1 -45.7 21.9 23.4 6.6
422 422 W H X S+ 0 0 3 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.884 112.1 54.7 -75.3 -38.7 20.2 23.5 9.9
423 423 G H X S+ 0 0 11 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.922 110.5 47.1 -63.1 -40.3 16.8 24.5 8.6
424 424 P H > S+ 0 0 37 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.863 110.1 57.0 -69.5 -30.4 16.7 21.5 6.1
425 425 L H >X S+ 0 0 20 -4,-1.4 4,-0.9 -5,-0.3 3,-0.8 0.962 106.4 45.6 -61.7 -47.2 17.8 19.4 9.0
426 426 L H 3<>S+ 0 0 4 -4,-2.2 5,-1.1 1,-0.2 -1,-0.2 0.777 112.1 50.6 -69.3 -29.7 14.9 20.3 11.0
427 427 K H 3<5S+ 0 0 131 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.518 98.9 62.6 -91.1 -6.4 12.5 19.8 8.1
428 428 H H <<5S+ 0 0 132 -4,-1.3 2,-0.3 -3,-0.8 -2,-0.2 0.646 109.6 62.1 -59.2 -37.3 14.2 16.3 7.6
429 429 V T <5S- 0 0 26 -4,-0.9 2,-0.7 -5,-0.2 -42,-0.0 -0.672 99.8-121.6 -87.9 143.8 12.5 16.5 11.1
430 430 S T 5S+ 0 0 144 -2,-0.3 2,-0.3 0, 0.0 -3,-0.1 -0.334 88.8 62.3 -88.6 51.1 8.7 17.0 11.5
431 431 R S S+ 0 0 16 -2,-0.3 4,-2.0 -28,-0.1 5,-0.2 0.059 94.2 20.6-117.7 -72.1 21.3 38.6 14.1
440 440 S H > S+ 0 0 21 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.845 126.0 43.6 -68.8 -45.1 21.7 39.7 17.7
441 441 N H > S+ 0 0 57 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.833 111.8 56.2 -65.0 -38.8 18.4 41.3 18.7
442 442 S H > S+ 0 0 8 2,-0.2 4,-4.0 1,-0.2 5,-0.2 0.951 107.6 48.1 -63.8 -41.0 16.6 38.5 16.9
443 443 L H X S+ 0 0 8 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.913 114.2 48.8 -61.7 -40.3 18.4 35.9 19.2
444 444 A H X S+ 0 0 2 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.949 117.6 40.6 -64.5 -46.8 17.5 38.0 22.2
445 445 E H X S+ 0 0 105 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.914 115.4 48.9 -69.9 -41.5 14.0 38.2 21.1
446 446 K H X S+ 0 0 6 -4,-4.0 4,-2.6 -5,-0.2 5,-0.2 0.910 111.3 49.4 -65.1 -43.0 13.7 34.7 20.0
447 447 I H X S+ 0 0 8 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.919 114.0 46.6 -62.0 -44.2 15.1 33.3 23.1
448 448 K H X S+ 0 0 25 -4,-2.0 4,-3.0 -5,-0.3 -2,-0.2 0.911 112.6 48.5 -60.6 -46.4 12.8 35.4 25.2
449 449 T H X S+ 0 0 14 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.870 114.1 49.6 -57.3 -44.4 9.7 34.6 23.1
450 450 Q H < S+ 0 0 11 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.909 114.4 40.2 -69.6 -44.5 10.6 31.1 23.4
451 451 I H < S+ 0 0 4 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.850 113.2 54.5 -78.2 -29.6 11.1 31.0 27.1
452 452 K H < S- 0 0 74 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.937 113.1-121.9 -64.6 -43.3 8.1 33.2 27.7
453 453 N S < S+ 0 0 77 -4,-2.4 2,-0.2 1,-0.4 -3,-0.1 -0.072 77.3 51.6 139.5 -26.1 5.9 30.7 25.7
454 454 G + 0 0 17 -5,-0.2 -1,-0.4 -6,-0.2 -2,-0.2 -0.633 63.0 65.4-138.8 173.8 4.7 33.0 23.1
455 455 E S S+ 0 0 115 -2,-0.2 2,-3.4 1,-0.2 -2,-0.1 0.331 101.9 25.7 77.2 149.0 5.4 35.7 20.4
456 456 Y S > S+ 0 0 61 1,-0.2 4,-2.6 -7,-0.0 -1,-0.2 -0.241 121.4 65.2 63.1 -48.3 7.5 34.9 17.0
457 457 V H > S+ 0 0 24 -2,-3.4 4,-2.4 1,-0.3 -1,-0.2 0.870 97.8 42.2 -85.7 -41.4 6.2 31.4 17.7
458 458 G H 4 S+ 0 0 43 2,-0.2 -1,-0.3 1,-0.2 -4,-0.0 0.828 115.1 54.6 -65.6 -36.6 2.5 31.7 17.3
459 459 A H 4 S+ 0 0 87 1,-0.2 -2,-0.3 0, 0.0 -1,-0.2 0.911 109.9 46.4 -62.7 -43.3 3.2 33.9 14.2
460 460 T H < 0 0 35 -4,-2.6 -2,-0.2 -26,-0.0 -1,-0.2 0.903 360.0 360.0 -63.3 -43.7 5.3 31.1 12.8
461 461 Q < 0 0 174 -4,-2.4 -3,-0.0 -5,-0.1 -5,-0.0 0.040 360.0 360.0 -65.5 360.0 2.6 28.5 13.6