NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
470780 |
1apf   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1apf
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 1115
_Distance_constraint_stats_list.Viol_count 1574
_Distance_constraint_stats_list.Viol_total 4160.353
_Distance_constraint_stats_list.Viol_max 1.801
_Distance_constraint_stats_list.Viol_rms 0.0714
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0093
_Distance_constraint_stats_list.Viol_average_violations_only 0.1322
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.031 0.018 20 0 "[ . 1 . 2]"
1 2 VAL 0.087 0.016 4 0 "[ . 1 . 2]"
1 3 PRO 5.604 0.639 7 1 "[ . + 1 . 2]"
1 4 CYS 1.707 0.379 20 0 "[ . 1 . 2]"
1 5 LEU 0.463 0.055 13 0 "[ . 1 . 2]"
1 6 CYS 24.746 1.761 8 16 "[* *****+*** * ** -**]"
1 7 ASP 31.767 1.801 11 18 "[****.-****+***** ***]"
1 8 SER 2.169 0.614 13 2 "[ . -1 + . 2]"
1 9 ASP 18.466 1.761 8 14 "[- *****+*** * ** *2]"
1 10 GLY 6.410 0.800 6 5 "[ *.+ 1* * . -2]"
1 11 PRO 0.770 0.135 14 0 "[ . 1 . 2]"
1 12 ARG 8.190 0.961 13 4 "[ *.* 1- + . 2]"
1 13 PRO 0.713 0.321 5 0 "[ . 1 . 2]"
1 14 ARG 6.667 0.657 7 3 "[ - + 1 .* 2]"
1 15 GLY 0.751 0.321 5 0 "[ . 1 . 2]"
1 16 ASN 5.793 0.961 13 3 "[ . * 1 + .- 2]"
1 17 THR 0.789 0.102 1 0 "[ . 1 . 2]"
1 18 LEU 4.376 1.080 5 3 "[ +* 1 *. 2]"
1 19 SER 6.280 0.990 15 4 "[ * 1 * + -2]"
1 20 GLY 7.947 1.080 5 4 "[ +*- 1 *. 2]"
1 21 ILE 21.979 1.049 19 20 [*********-********+*]
1 22 LEU 1.603 0.085 18 0 "[ . 1 . 2]"
1 23 TRP 12.332 0.764 7 4 "[* . +* 1 .- 2]"
1 24 PHE 3.696 0.100 7 0 "[ . 1 . 2]"
1 25 TYR 12.262 0.891 18 11 "[ **. *** -* .**+ *]"
1 26 PRO 0.695 0.062 14 0 "[ . 1 . 2]"
1 27 SER 0.072 0.024 14 0 "[ . 1 . 2]"
1 28 GLY 10.478 0.891 18 11 "[ **. *** -* .**+ *]"
1 29 CYS 2.259 0.107 14 0 "[ . 1 . 2]"
1 30 PRO 2.416 0.069 13 0 "[ . 1 . 2]"
1 31 SER 1.271 0.113 14 0 "[ . 1 . 2]"
1 32 GLY 1.368 0.113 14 0 "[ . 1 . 2]"
1 33 TRP 13.647 0.523 14 3 "[ . - 1 +. *]"
1 34 HIS 5.372 0.593 19 1 "[ . 1 . +2]"
1 35 ASN 18.626 0.678 12 10 "[* **.**- 1 + ** *]"
1 36 CYS 1.754 0.081 20 0 "[ . 1 . 2]"
1 37 LYS 52.280 1.801 11 20 [**********+******-**]
1 38 ALA 0.830 0.053 14 0 "[ . 1 . 2]"
1 39 HIS 2.739 0.096 18 0 "[ . 1 . 2]"
1 40 GLY 0.946 0.815 18 1 "[ . 1 . + 2]"
1 41 PRO 0.939 0.083 20 0 "[ . 1 . 2]"
1 42 ASN 11.168 0.438 8 0 "[ . 1 . 2]"
1 43 ILE 8.157 0.321 12 0 "[ . 1 . 2]"
1 44 GLY 13.023 0.764 7 4 "[* . +* 1 .- 2]"
1 45 TRP 3.278 0.174 14 0 "[ . 1 . 2]"
1 46 CYS 15.952 1.112 17 11 "[***-** * 1 *.*+ *]"
1 47 CYS 9.302 0.593 19 1 "[ . 1 . +2]"
1 48 LYS 36.173 1.049 19 20 [*******-**********+*]
1 49 LYS 4.211 0.220 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 2 VAL QG 0.000 . 7.190 3.219 3.018 3.436 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 21 ILE HB 0.000 . 6.330 4.817 4.400 5.427 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLY QA 1 21 ILE MD 0.000 . 7.810 4.044 3.053 4.969 . 0 0 "[ . 1 . 2]" 1
4 1 1 GLY QA 1 21 ILE MG 0.000 . 7.780 2.323 2.002 2.866 . 0 0 "[ . 1 . 2]" 1
5 1 1 GLY QA 1 22 LEU HG 0.000 . 4.980 3.496 2.122 4.259 . 0 0 "[ . 1 . 2]" 1
6 1 1 GLY HA2 1 2 VAL H 0.000 . 3.630 2.517 2.184 3.469 . 0 0 "[ . 1 . 2]" 1
7 1 1 GLY HA2 1 2 VAL QG 0.000 . 7.980 3.390 3.109 4.523 . 0 0 "[ . 1 . 2]" 1
8 1 1 GLY HA2 1 21 ILE MD 0.000 . 7.370 5.186 3.992 6.157 . 0 0 "[ . 1 . 2]" 1
9 1 1 GLY HA2 1 21 ILE MG 0.000 . 7.320 3.495 2.311 4.137 . 0 0 "[ . 1 . 2]" 1
10 1 1 GLY HA2 1 22 LEU HG 0.000 . 4.800 4.075 2.151 4.814 0.014 7 0 "[ . 1 . 2]" 1
11 1 1 GLY HA3 1 2 VAL H 0.000 . 3.630 2.795 2.409 3.286 . 0 0 "[ . 1 . 2]" 1
12 1 1 GLY HA3 1 2 VAL QG 0.000 . 7.980 4.183 3.561 4.470 . 0 0 "[ . 1 . 2]" 1
13 1 1 GLY HA3 1 21 ILE MD 0.000 . 7.370 4.264 3.169 5.638 . 0 0 "[ . 1 . 2]" 1
14 1 1 GLY HA3 1 21 ILE MG 0.000 . 7.320 2.416 2.025 3.465 . 0 0 "[ . 1 . 2]" 1
15 1 1 GLY HA3 1 22 LEU HG 0.000 . 4.800 3.951 3.014 4.818 0.018 20 0 "[ . 1 . 2]" 1
16 1 2 VAL H 1 2 VAL HB 0.000 . 3.510 2.615 2.503 2.759 . 0 0 "[ . 1 . 2]" 1
17 1 2 VAL H 1 21 ILE MG 0.000 . 6.900 3.148 2.529 3.753 . 0 0 "[ . 1 . 2]" 1
18 1 2 VAL H 1 22 LEU H 0.000 . 4.260 3.524 2.459 3.947 . 0 0 "[ . 1 . 2]" 1
19 1 2 VAL H 1 22 LEU QB 0.000 . 5.000 3.876 1.850 4.518 . 0 0 "[ . 1 . 2]" 1
20 1 2 VAL H 1 22 LEU HB3 0.000 . 5.660 4.117 1.857 4.941 . 0 0 "[ . 1 . 2]" 1
21 1 2 VAL HA 1 3 PRO HA 0.000 . 4.510 4.510 4.474 4.526 0.016 4 0 "[ . 1 . 2]" 1
22 1 2 VAL HA 1 3 PRO HD2 0.000 . 3.030 2.188 2.068 2.398 . 0 0 "[ . 1 . 2]" 1
23 1 2 VAL HA 1 3 PRO HD3 0.000 . 3.030 2.571 2.422 2.711 . 0 0 "[ . 1 . 2]" 1
24 1 2 VAL HB 1 22 LEU H 0.000 . 5.000 4.133 3.743 4.572 . 0 0 "[ . 1 . 2]" 1
25 1 2 VAL HB 1 22 LEU QB 0.000 . 4.570 3.665 2.657 3.968 . 0 0 "[ . 1 . 2]" 1
26 1 2 VAL HB 1 22 LEU HB3 0.000 . 4.600 3.804 2.797 4.133 . 0 0 "[ . 1 . 2]" 1
27 1 2 VAL HB 1 22 LEU QD 0.000 . 6.770 2.053 1.865 2.592 . 0 0 "[ . 1 . 2]" 1
28 1 2 VAL QG 1 3 PRO HA 0.000 . 6.000 4.026 3.872 4.149 . 0 0 "[ . 1 . 2]" 1
29 1 2 VAL QG 1 3 PRO HD2 0.000 . 5.600 2.139 1.964 2.466 . 0 0 "[ . 1 . 2]" 1
30 1 2 VAL QG 1 3 PRO QD 0.000 . 5.390 2.117 1.949 2.425 . 0 0 "[ . 1 . 2]" 1
31 1 2 VAL QG 1 3 PRO HD3 0.000 . 5.600 3.405 3.261 3.586 . 0 0 "[ . 1 . 2]" 1
32 1 3 PRO HA 1 4 CYS H 0.000 . 2.600 2.185 2.002 2.372 . 0 0 "[ . 1 . 2]" 1
33 1 3 PRO HA 1 19 SER H 0.000 3.500 1000.000 5.754 4.634 6.902 . 0 0 "[ . 1 . 2]" 1
34 1 3 PRO HA 1 20 GLY H 0.000 3.500 1000.000 4.253 3.673 5.059 . 0 0 "[ . 1 . 2]" 1
35 1 3 PRO HA 1 21 ILE H 0.000 . 5.000 4.601 4.411 4.865 . 0 0 "[ . 1 . 2]" 1
36 1 3 PRO HA 1 21 ILE HA 0.000 . 2.790 2.086 1.912 2.567 . 0 0 "[ . 1 . 2]" 1
37 1 3 PRO HA 1 21 ILE MD 0.000 . 5.620 2.405 1.929 3.367 . 0 0 "[ . 1 . 2]" 1
38 1 3 PRO HA 1 21 ILE QG 0.000 . 5.750 4.141 3.422 4.634 . 0 0 "[ . 1 . 2]" 1
39 1 3 PRO HA 1 21 ILE MG 0.000 . 7.250 3.671 2.718 4.546 . 0 0 "[ . 1 . 2]" 1
40 1 3 PRO HA 1 22 LEU H 0.000 . 3.700 3.283 2.749 3.769 0.069 10 0 "[ . 1 . 2]" 1
41 1 3 PRO QB 1 4 CYS H 0.000 . 4.230 3.058 2.535 3.361 . 0 0 "[ . 1 . 2]" 1
42 1 3 PRO QB 1 8 SER H 0.000 3.500 1000.000 11.238 9.575 12.022 . 0 0 "[ . 1 . 2]" 1
43 1 3 PRO QB 1 10 GLY H 0.000 3.500 1000.000 10.896 8.980 13.932 . 0 0 "[ . 1 . 2]" 1
44 1 3 PRO QB 1 18 LEU H 0.000 3.500 1000.000 4.945 3.761 6.331 . 0 0 "[ . 1 . 2]" 1
45 1 3 PRO QB 1 18 LEU QB 0.000 . 7.490 2.873 1.899 4.282 . 0 0 "[ . 1 . 2]" 1
46 1 3 PRO QB 1 19 SER H 0.000 3.500 1000.000 4.142 3.046 5.318 0.454 15 0 "[ . 1 . 2]" 1
47 1 3 PRO QB 1 20 GLY H 0.000 3.500 1000.000 3.523 2.861 4.158 0.639 7 1 "[ . + 1 . 2]" 1
48 1 3 PRO QB 1 21 ILE MD 0.000 . 8.280 2.239 2.000 2.880 . 0 0 "[ . 1 . 2]" 1
49 1 3 PRO QB 1 21 ILE MG 0.000 . 11.120 4.356 3.816 5.358 . 0 0 "[ . 1 . 2]" 1
50 1 3 PRO HB2 1 4 CYS H 0.000 . 3.990 3.198 2.595 3.596 . 0 0 "[ . 1 . 2]" 1
51 1 3 PRO HB2 1 8 SER H 0.000 3.500 1000.000 12.210 10.315 13.078 . 0 0 "[ . 1 . 2]" 1
52 1 3 PRO HB2 1 10 GLY H 0.000 3.500 1000.000 11.725 9.734 14.984 . 0 0 "[ . 1 . 2]" 1
53 1 3 PRO HB2 1 18 LEU H 0.000 3.500 1000.000 5.206 3.891 6.668 . 0 0 "[ . 1 . 2]" 1
54 1 3 PRO HB2 1 18 LEU QB 0.000 . 6.140 3.148 1.952 4.417 . 0 0 "[ . 1 . 2]" 1
55 1 3 PRO HB2 1 18 LEU MD1 0.000 . 5.880 3.261 1.921 4.361 . 0 0 "[ . 1 . 2]" 1
56 1 3 PRO HB2 1 18 LEU MD2 0.000 . 4.850 2.982 2.027 4.159 . 0 0 "[ . 1 . 2]" 1
57 1 3 PRO HB2 1 19 SER H 0.000 3.500 1000.000 4.323 3.131 5.584 0.369 15 0 "[ . 1 . 2]" 1
58 1 3 PRO HB2 1 20 GLY H 0.000 3.500 1000.000 3.865 3.239 4.605 0.261 7 0 "[ . 1 . 2]" 1
59 1 3 PRO HB3 1 4 CYS H 0.000 . 3.990 3.919 3.560 4.060 0.070 4 0 "[ . 1 . 2]" 1
60 1 3 PRO HB3 1 8 SER H 0.000 3.500 1000.000 13.139 11.351 14.026 . 0 0 "[ . 1 . 2]" 1
61 1 3 PRO HB3 1 10 GLY H 0.000 3.500 1000.000 12.948 10.536 16.565 . 0 0 "[ . 1 . 2]" 1
62 1 3 PRO HB3 1 18 LEU H 0.000 3.500 1000.000 6.255 4.846 7.886 . 0 0 "[ . 1 . 2]" 1
63 1 3 PRO HB3 1 18 LEU QB 0.000 . 6.740 3.615 2.239 5.757 . 0 0 "[ . 1 . 2]" 1
64 1 3 PRO HB3 1 18 LEU MD1 0.000 . 5.760 3.429 2.007 4.511 . 0 0 "[ . 1 . 2]" 1
65 1 3 PRO HB3 1 18 LEU MD2 0.000 . 4.990 3.148 1.987 4.077 . 0 0 "[ . 1 . 2]" 1
66 1 3 PRO HB3 1 19 SER H 0.000 3.500 1000.000 5.332 3.877 6.748 . 0 0 "[ . 1 . 2]" 1
67 1 3 PRO HB3 1 20 GLY H 0.000 3.500 1000.000 4.100 3.184 5.229 0.316 7 0 "[ . 1 . 2]" 1
68 1 3 PRO HD2 1 18 LEU MD1 0.000 . 5.880 4.589 4.246 4.814 . 0 0 "[ . 1 . 2]" 1
69 1 3 PRO HD3 1 18 LEU MD2 0.000 . 6.180 4.154 2.243 5.046 . 0 0 "[ . 1 . 2]" 1
70 1 4 CYS CB 1 46 CYS SG 0.000 . 3.200 3.075 3.052 3.097 . 0 0 "[ . 1 . 2]" 1
71 1 4 CYS H 1 7 ASP HB2 0.000 3.500 1000.000 11.560 10.270 13.091 . 0 0 "[ . 1 . 2]" 1
72 1 4 CYS H 1 7 ASP HB3 0.000 3.500 1000.000 11.142 9.948 11.707 . 0 0 "[ . 1 . 2]" 1
73 1 4 CYS H 1 8 SER H 0.000 3.500 1000.000 10.330 8.757 11.180 . 0 0 "[ . 1 . 2]" 1
74 1 4 CYS H 1 8 SER HA 0.000 3.500 1000.000 12.363 10.868 13.100 . 0 0 "[ . 1 . 2]" 1
75 1 4 CYS H 1 8 SER HB2 0.000 3.500 1000.000 11.551 10.367 13.054 . 0 0 "[ . 1 . 2]" 1
76 1 4 CYS H 1 8 SER HB3 0.000 3.500 1000.000 12.140 9.665 13.657 . 0 0 "[ . 1 . 2]" 1
77 1 4 CYS H 1 9 ASP H 0.000 3.500 1000.000 9.575 7.682 11.699 . 0 0 "[ . 1 . 2]" 1
78 1 4 CYS H 1 9 ASP HA 0.000 3.500 1000.000 8.977 7.519 10.716 . 0 0 "[ . 1 . 2]" 1
79 1 4 CYS H 1 18 LEU HA 0.000 3.500 1000.000 4.765 3.846 6.012 . 0 0 "[ . 1 . 2]" 1
80 1 4 CYS H 1 19 SER H 0.000 3.500 1000.000 4.926 4.195 6.074 . 0 0 "[ . 1 . 2]" 1
81 1 4 CYS H 1 20 GLY H 0.000 3.500 1000.000 3.965 3.121 5.347 0.379 20 0 "[ . 1 . 2]" 1
82 1 4 CYS H 1 20 GLY HA2 0.000 3.500 1000.000 5.342 4.725 5.951 . 0 0 "[ . 1 . 2]" 1
83 1 4 CYS H 1 20 GLY QA 0.000 3.500 1000.000 4.238 3.465 4.902 0.035 9 0 "[ . 1 . 2]" 1
84 1 4 CYS H 1 20 GLY HA3 0.000 3.500 1000.000 4.452 3.564 5.217 . 0 0 "[ . 1 . 2]" 1
85 1 4 CYS H 1 21 ILE H 0.000 . 5.230 4.970 4.482 5.307 0.077 6 0 "[ . 1 . 2]" 1
86 1 4 CYS H 1 21 ILE HA 0.000 . 5.000 3.354 2.654 3.945 . 0 0 "[ . 1 . 2]" 1
87 1 4 CYS H 1 22 LEU H 0.000 3.500 1000.000 4.090 3.594 4.902 . 0 0 "[ . 1 . 2]" 1
88 1 4 CYS H 1 36 CYS H 0.000 3.500 1000.000 8.470 8.155 8.775 . 0 0 "[ . 1 . 2]" 1
89 1 4 CYS H 1 36 CYS HB2 0.000 3.500 1000.000 6.551 6.052 7.104 . 0 0 "[ . 1 . 2]" 1
90 1 4 CYS H 1 36 CYS HB3 0.000 3.500 1000.000 6.626 6.382 6.989 . 0 0 "[ . 1 . 2]" 1
91 1 4 CYS H 1 38 ALA H 0.000 3.500 1000.000 11.558 10.282 12.363 . 0 0 "[ . 1 . 2]" 1
92 1 4 CYS H 1 38 ALA HA 0.000 3.500 1000.000 12.522 11.837 13.368 . 0 0 "[ . 1 . 2]" 1
93 1 4 CYS H 1 38 ALA MB 0.000 3.500 1000.000 11.704 10.754 12.385 . 0 0 "[ . 1 . 2]" 1
94 1 4 CYS H 1 46 CYS QB . 3.500 1000.000 4.369 3.499 5.393 0.001 15 0 "[ . 1 . 2]" 1
95 1 4 CYS HA 1 6 CYS H 0.000 3.500 1000.000 6.143 4.905 6.572 . 0 0 "[ . 1 . 2]" 1
96 1 4 CYS HA 1 19 SER H 0.000 3.500 1000.000 6.213 5.315 7.084 . 0 0 "[ . 1 . 2]" 1
97 1 4 CYS HA 1 20 GLY H 0.000 3.500 1000.000 6.323 5.311 7.455 . 0 0 "[ . 1 . 2]" 1
98 1 4 CYS HA 1 46 CYS H 0.000 3.500 1000.000 8.546 8.163 9.266 . 0 0 "[ . 1 . 2]" 1
99 1 4 CYS QB 1 5 LEU H 0.000 . 4.810 2.296 1.866 2.610 . 0 0 "[ . 1 . 2]" 1
100 1 4 CYS QB 1 6 CYS H 0.000 3.500 1000.000 5.283 4.492 5.786 . 0 0 "[ . 1 . 2]" 1
101 1 4 CYS QB 1 18 LEU H 0.000 3.500 1000.000 8.425 7.140 9.993 . 0 0 "[ . 1 . 2]" 1
102 1 4 CYS QB 1 19 SER H 0.000 3.500 1000.000 6.627 5.818 7.338 . 0 0 "[ . 1 . 2]" 1
103 1 4 CYS QB 1 20 GLY H 0.000 3.500 1000.000 6.327 5.505 7.591 . 0 0 "[ . 1 . 2]" 1
104 1 4 CYS QB 1 21 ILE H 0.000 3.500 1000.000 6.685 6.061 7.207 . 0 0 "[ . 1 . 2]" 1
105 1 4 CYS QB 1 22 LEU H 0.000 . 5.490 4.712 4.053 4.970 . 0 0 "[ . 1 . 2]" 1
106 1 4 CYS QB 1 36 CYS H 0.000 3.500 1000.000 7.851 7.608 8.188 . 0 0 "[ . 1 . 2]" 1
107 1 4 CYS QB 1 38 ALA H 0.000 3.500 1000.000 9.354 8.655 10.282 . 0 0 "[ . 1 . 2]" 1
108 1 4 CYS SG 1 46 CYS CB 0.000 . 3.200 3.070 3.001 3.115 . 0 0 "[ . 1 . 2]" 1
109 1 4 CYS SG 1 46 CYS SG 0.000 . 2.100 2.023 2.018 2.026 . 0 0 "[ . 1 . 2]" 1
110 1 5 LEU H 1 5 LEU HB2 0.000 . 3.710 2.656 2.402 3.024 . 0 0 "[ . 1 . 2]" 1
111 1 5 LEU H 1 5 LEU HB3 0.000 . 3.550 2.600 2.409 2.986 . 0 0 "[ . 1 . 2]" 1
112 1 5 LEU H 1 5 LEU HG 0.000 . 4.810 4.569 4.402 4.775 . 0 0 "[ . 1 . 2]" 1
113 1 5 LEU H 1 6 CYS H 0.000 . 4.500 4.410 3.828 4.555 0.055 13 0 "[ . 1 . 2]" 1
114 1 5 LEU H 1 7 ASP QB 0.000 3.500 1000.000 8.676 7.879 9.276 . 0 0 "[ . 1 . 2]" 1
115 1 5 LEU H 1 8 SER H 0.000 3.500 1000.000 9.221 7.741 10.187 . 0 0 "[ . 1 . 2]" 1
116 1 5 LEU H 1 8 SER HB2 0.000 3.500 1000.000 11.092 8.684 12.641 . 0 0 "[ . 1 . 2]" 1
117 1 5 LEU H 1 8 SER HB3 0.000 3.500 1000.000 11.510 8.136 12.720 . 0 0 "[ . 1 . 2]" 1
118 1 5 LEU H 1 9 ASP H 0.000 3.500 1000.000 8.081 7.105 8.862 . 0 0 "[ . 1 . 2]" 1
119 1 5 LEU H 1 9 ASP HA 0.000 3.500 1000.000 8.101 6.062 9.176 . 0 0 "[ . 1 . 2]" 1
120 1 5 LEU H 1 9 ASP HB2 0.000 3.500 1000.000 5.999 4.491 6.891 . 0 0 "[ . 1 . 2]" 1
121 1 5 LEU H 1 9 ASP HB3 0.000 3.500 1000.000 6.249 4.972 6.992 . 0 0 "[ . 1 . 2]" 1
122 1 5 LEU H 1 14 ARG HB2 0.000 3.500 1000.000 12.289 4.047 16.600 . 0 0 "[ . 1 . 2]" 1
123 1 5 LEU H 1 14 ARG HB3 0.000 3.500 1000.000 12.421 4.368 16.825 . 0 0 "[ . 1 . 2]" 1
124 1 5 LEU H 1 16 ASN HB2 0.000 3.500 1000.000 11.163 7.808 15.230 . 0 0 "[ . 1 . 2]" 1
125 1 5 LEU H 1 16 ASN HB3 0.000 3.500 1000.000 11.189 8.334 15.872 . 0 0 "[ . 1 . 2]" 1
126 1 5 LEU H 1 17 THR HA 0.000 3.500 1000.000 8.751 4.509 12.772 . 0 0 "[ . 1 . 2]" 1
127 1 5 LEU H 1 17 THR HB 0.000 3.500 1000.000 9.060 4.981 14.111 . 0 0 "[ . 1 . 2]" 1
128 1 5 LEU H 1 18 LEU H 0.000 3.500 1000.000 8.153 6.132 10.405 . 0 0 "[ . 1 . 2]" 1
129 1 5 LEU H 1 18 LEU HA 0.000 3.500 1000.000 6.563 4.673 8.298 . 0 0 "[ . 1 . 2]" 1
130 1 5 LEU H 1 18 LEU QB . 3.500 1000.000 7.609 5.348 9.436 . 0 0 "[ . 1 . 2]" 1
131 1 5 LEU H 1 19 SER H 0.000 3.500 1000.000 6.495 5.476 7.457 . 0 0 "[ . 1 . 2]" 1
132 1 5 LEU H 1 19 SER HA 0.000 3.500 1000.000 8.910 7.865 9.897 . 0 0 "[ . 1 . 2]" 1
133 1 5 LEU H 1 20 GLY H 0.000 3.500 1000.000 7.088 5.979 8.337 . 0 0 "[ . 1 . 2]" 1
134 1 5 LEU H 1 20 GLY HA2 0.000 3.500 1000.000 8.780 7.094 9.980 . 0 0 "[ . 1 . 2]" 1
135 1 5 LEU H 1 20 GLY QA 0.000 3.500 1000.000 7.009 5.212 8.193 . 0 0 "[ . 1 . 2]" 1
136 1 5 LEU H 1 20 GLY HA3 0.000 3.500 1000.000 7.376 5.363 8.707 . 0 0 "[ . 1 . 2]" 1
137 1 5 LEU H 1 35 ASN HB2 0.000 3.500 1000.000 13.540 13.113 14.105 . 0 0 "[ . 1 . 2]" 1
138 1 5 LEU H 1 35 ASN HB3 0.000 3.500 1000.000 13.400 12.562 14.059 . 0 0 "[ . 1 . 2]" 1
139 1 5 LEU H 1 36 CYS H 0.000 3.500 1000.000 9.688 9.220 10.212 . 0 0 "[ . 1 . 2]" 1
140 1 5 LEU H 1 37 LYS HA 0.000 3.500 1000.000 8.761 7.912 9.545 . 0 0 "[ . 1 . 2]" 1
141 1 5 LEU H 1 38 ALA H 0.000 3.500 1000.000 10.563 9.932 11.384 . 0 0 "[ . 1 . 2]" 1
142 1 5 LEU H 1 38 ALA HA 0.000 3.500 1000.000 12.063 11.400 12.994 . 0 0 "[ . 1 . 2]" 1
143 1 5 LEU H 1 38 ALA MB 0.000 3.500 1000.000 11.082 10.546 11.726 . 0 0 "[ . 1 . 2]" 1
144 1 5 LEU H 1 39 HIS HA 0.000 3.500 1000.000 11.963 11.039 13.115 . 0 0 "[ . 1 . 2]" 1
145 1 5 LEU H 1 40 GLY H 0.000 3.500 1000.000 10.659 8.907 11.329 . 0 0 "[ . 1 . 2]" 1
146 1 5 LEU H 1 40 GLY HA2 0.000 3.500 1000.000 10.844 10.111 11.485 . 0 0 "[ . 1 . 2]" 1
147 1 5 LEU H 1 40 GLY HA3 0.000 3.500 1000.000 10.006 8.869 11.079 . 0 0 "[ . 1 . 2]" 1
148 1 5 LEU H 1 46 CYS QB . 3.500 1000.000 5.092 4.721 6.049 . 0 0 "[ . 1 . 2]" 1
149 1 5 LEU HA 1 5 LEU HG 0.000 . 3.590 2.697 2.391 3.618 0.028 17 0 "[ . 1 . 2]" 1
150 1 5 LEU HA 1 6 CYS H 0.000 . 3.060 2.320 2.135 2.582 . 0 0 "[ . 1 . 2]" 1
151 1 5 LEU HA 1 7 ASP H 0.000 3.500 1000.000 6.360 6.210 6.455 . 0 0 "[ . 1 . 2]" 1
152 1 5 LEU HA 1 9 ASP H 0.000 3.500 1000.000 6.025 4.900 6.969 . 0 0 "[ . 1 . 2]" 1
153 1 5 LEU HA 1 9 ASP QB 0.000 . 6.000 3.525 2.270 4.639 . 0 0 "[ . 1 . 2]" 1
154 1 5 LEU HA 1 17 THR H 0.000 3.500 1000.000 7.146 4.621 10.758 . 0 0 "[ . 1 . 2]" 1
155 1 5 LEU HA 1 18 LEU H 0.000 3.500 1000.000 6.330 4.094 8.870 . 0 0 "[ . 1 . 2]" 1
156 1 5 LEU HA 1 19 SER H 0.000 3.500 1000.000 4.507 3.483 5.875 0.017 2 0 "[ . 1 . 2]" 1
157 1 5 LEU HA 1 20 GLY H 0.000 3.500 1000.000 5.825 4.577 6.973 . 0 0 "[ . 1 . 2]" 1
158 1 5 LEU HA 1 37 LYS H 0.000 3.500 1000.000 8.277 7.648 9.182 . 0 0 "[ . 1 . 2]" 1
159 1 5 LEU HA 1 38 ALA H 0.000 3.500 1000.000 10.155 9.518 10.609 . 0 0 "[ . 1 . 2]" 1
160 1 5 LEU HA 1 39 HIS H 0.000 3.500 1000.000 10.296 9.889 10.663 . 0 0 "[ . 1 . 2]" 1
161 1 5 LEU HA 1 40 GLY H 0.000 3.500 1000.000 11.614 10.237 12.572 . 0 0 "[ . 1 . 2]" 1
162 1 5 LEU HB2 1 6 CYS H 0.000 . 5.020 4.281 3.908 4.724 . 0 0 "[ . 1 . 2]" 1
163 1 5 LEU HB2 1 7 ASP H 0.000 3.500 1000.000 7.976 7.857 8.142 . 0 0 "[ . 1 . 2]" 1
164 1 5 LEU HB2 1 9 ASP H 0.000 3.500 1000.000 7.631 6.333 8.558 . 0 0 "[ . 1 . 2]" 1
165 1 5 LEU HB2 1 10 GLY H 0.000 3.500 1000.000 8.139 6.424 10.197 . 0 0 "[ . 1 . 2]" 1
166 1 5 LEU HB2 1 14 ARG H 0.000 3.500 1000.000 9.508 5.049 15.027 . 0 0 "[ . 1 . 2]" 1
167 1 5 LEU HB2 1 17 THR H 0.000 3.500 1000.000 7.533 3.600 12.399 . 0 0 "[ . 1 . 2]" 1
168 1 5 LEU HB2 1 18 LEU H 0.000 3.500 1000.000 7.446 4.851 10.521 . 0 0 "[ . 1 . 2]" 1
169 1 5 LEU HB2 1 19 SER H 0.000 3.500 1000.000 6.526 5.264 8.047 . 0 0 "[ . 1 . 2]" 1
170 1 5 LEU HB2 1 37 LYS H 0.000 3.500 1000.000 10.145 9.688 10.941 . 0 0 "[ . 1 . 2]" 1
171 1 5 LEU HB2 1 38 ALA H 0.000 3.500 1000.000 11.585 11.159 12.062 . 0 0 "[ . 1 . 2]" 1
172 1 5 LEU HB2 1 39 HIS H 0.000 3.500 1000.000 11.314 10.858 11.873 . 0 0 "[ . 1 . 2]" 1
173 1 5 LEU HB2 1 40 GLY H 0.000 3.500 1000.000 12.346 10.840 13.066 . 0 0 "[ . 1 . 2]" 1
174 1 5 LEU HB2 1 46 CYS H 0.000 3.500 1000.000 10.263 9.791 11.792 . 0 0 "[ . 1 . 2]" 1
175 1 5 LEU HB2 1 47 CYS H 0.000 3.500 1000.000 10.838 10.292 11.862 . 0 0 "[ . 1 . 2]" 1
176 1 5 LEU HB3 1 6 CYS H 0.000 . 4.760 3.940 3.221 4.474 . 0 0 "[ . 1 . 2]" 1
177 1 5 LEU HB3 1 7 ASP H 0.000 3.500 1000.000 6.892 6.666 7.264 . 0 0 "[ . 1 . 2]" 1
178 1 5 LEU HB3 1 9 ASP H 0.000 3.500 1000.000 7.006 4.796 7.937 . 0 0 "[ . 1 . 2]" 1
179 1 5 LEU HB3 1 10 GLY H 0.000 3.500 1000.000 7.895 5.624 10.223 . 0 0 "[ . 1 . 2]" 1
180 1 5 LEU HB3 1 14 ARG H 0.000 3.500 1000.000 10.400 5.848 16.087 . 0 0 "[ . 1 . 2]" 1
181 1 5 LEU HB3 1 17 THR H 0.000 3.500 1000.000 8.976 5.348 13.557 . 0 0 "[ . 1 . 2]" 1
182 1 5 LEU HB3 1 18 LEU H 0.000 3.500 1000.000 8.844 6.380 11.733 . 0 0 "[ . 1 . 2]" 1
183 1 5 LEU HB3 1 19 SER H 0.000 3.500 1000.000 7.465 6.392 8.856 . 0 0 "[ . 1 . 2]" 1
184 1 5 LEU HB3 1 37 LYS H 0.000 3.500 1000.000 9.218 8.665 9.935 . 0 0 "[ . 1 . 2]" 1
185 1 5 LEU HB3 1 38 ALA H 0.000 3.500 1000.000 10.269 9.822 10.864 . 0 0 "[ . 1 . 2]" 1
186 1 5 LEU HB3 1 39 HIS H 0.000 3.500 1000.000 9.843 9.361 10.539 . 0 0 "[ . 1 . 2]" 1
187 1 5 LEU HB3 1 40 GLY H 0.000 3.500 1000.000 10.852 9.250 11.595 . 0 0 "[ . 1 . 2]" 1
188 1 5 LEU HB3 1 46 CYS H 0.000 3.500 1000.000 9.296 8.721 10.747 . 0 0 "[ . 1 . 2]" 1
189 1 5 LEU HB3 1 47 CYS H 0.000 3.500 1000.000 10.493 10.002 11.368 . 0 0 "[ . 1 . 2]" 1
190 1 5 LEU QD 1 6 CYS H 0.000 . 7.940 2.738 1.865 4.031 . 0 0 "[ . 1 . 2]" 1
191 1 5 LEU QD 1 9 ASP H 0.000 . 9.650 4.532 2.911 5.640 . 0 0 "[ . 1 . 2]" 1
192 1 5 LEU QD 1 9 ASP QB 0.000 . 8.410 2.942 2.076 3.572 . 0 0 "[ . 1 . 2]" 1
193 1 5 LEU MD1 1 6 CYS H 0.000 . 9.120 3.763 1.937 5.232 . 0 0 "[ . 1 . 2]" 1
194 1 5 LEU MD1 1 6 CYS HA 0.000 . 7.550 5.486 4.065 6.147 . 0 0 "[ . 1 . 2]" 1
195 1 5 LEU MD1 1 9 ASP HB2 0.000 . 7.430 4.940 2.099 6.229 . 0 0 "[ . 1 . 2]" 1
196 1 5 LEU MD1 1 9 ASP HB3 0.000 . 8.910 4.442 2.869 5.314 . 0 0 "[ . 1 . 2]" 1
197 1 5 LEU MD2 1 6 CYS H 0.000 . 9.120 3.334 1.867 5.293 . 0 0 "[ . 1 . 2]" 1
198 1 5 LEU MD2 1 6 CYS HA 0.000 . 7.550 4.194 2.836 5.959 . 0 0 "[ . 1 . 2]" 1
199 1 5 LEU MD2 1 9 ASP HB2 0.000 . 8.910 4.325 2.531 5.834 . 0 0 "[ . 1 . 2]" 1
200 1 5 LEU MD2 1 9 ASP HB3 0.000 . 8.910 3.697 2.399 5.610 . 0 0 "[ . 1 . 2]" 1
201 1 5 LEU HG 1 6 CYS H 0.000 . 4.520 2.894 1.908 4.350 . 0 0 "[ . 1 . 2]" 1
202 1 5 LEU HG 1 9 ASP QB 0.000 . 6.000 3.069 2.050 4.337 . 0 0 "[ . 1 . 2]" 1
203 1 6 CYS CB 1 36 CYS SG 0.000 . 3.200 3.040 3.021 3.061 . 0 0 "[ . 1 . 2]" 1
204 1 6 CYS H 1 7 ASP H 0.000 . 4.300 4.312 4.100 4.396 0.096 10 0 "[ . 1 . 2]" 1
205 1 6 CYS H 1 8 SER H 0.000 3.500 1000.000 5.303 3.493 6.367 0.007 17 0 "[ . 1 . 2]" 1
206 1 6 CYS H 1 8 SER HB2 0.000 3.500 1000.000 6.974 4.244 8.211 . 0 0 "[ . 1 . 2]" 1
207 1 6 CYS H 1 8 SER HB3 0.000 3.500 1000.000 7.386 3.811 8.576 . 0 0 "[ . 1 . 2]" 1
208 1 6 CYS H 1 9 ASP HA 0.000 3.500 1000.000 4.489 4.019 4.782 . 0 0 "[ . 1 . 2]" 1
209 1 6 CYS H 1 9 ASP HB2 0.000 . 4.860 2.474 1.957 3.600 . 0 0 "[ . 1 . 2]" 1
210 1 6 CYS H 1 9 ASP QB 0.000 . 5.110 2.178 1.688 3.463 0.092 8 0 "[ . 1 . 2]" 1
211 1 6 CYS H 1 9 ASP HB3 0.000 . 4.860 2.613 1.741 4.594 0.039 8 0 "[ . 1 . 2]" 1
212 1 6 CYS H 1 10 GLY H 0.000 3.500 1000.000 5.646 3.837 6.704 . 0 0 "[ . 1 . 2]" 1
213 1 6 CYS H 1 13 PRO HB2 0.000 3.500 1000.000 11.781 7.140 14.998 . 0 0 "[ . 1 . 2]" 1
214 1 6 CYS H 1 13 PRO HB3 0.000 3.500 1000.000 11.360 5.750 14.652 . 0 0 "[ . 1 . 2]" 1
215 1 6 CYS H 1 18 LEU H 0.000 3.500 1000.000 7.562 5.536 9.567 . 0 0 "[ . 1 . 2]" 1
216 1 6 CYS H 1 18 LEU QB . 3.500 1000.000 7.784 5.646 8.849 . 0 0 "[ . 1 . 2]" 1
217 1 6 CYS H 1 19 SER H 0.000 . 5.500 5.278 4.219 5.526 0.026 5 0 "[ . 1 . 2]" 1
218 1 6 CYS H 1 19 SER HA 0.000 3.500 1000.000 6.981 5.181 8.166 . 0 0 "[ . 1 . 2]" 1
219 1 6 CYS H 1 19 SER HB2 0.000 3.500 1000.000 5.290 2.946 8.599 0.554 5 1 "[ + 1 . 2]" 1
220 1 6 CYS H 1 19 SER HB3 0.000 3.500 1000.000 5.041 2.510 8.433 0.990 15 1 "[ . 1 + 2]" 1
221 1 6 CYS H 1 20 GLY H 0.000 3.500 1000.000 6.385 4.650 7.533 . 0 0 "[ . 1 . 2]" 1
222 1 6 CYS H 1 20 GLY HA2 0.000 3.500 1000.000 7.732 6.153 8.904 . 0 0 "[ . 1 . 2]" 1
223 1 6 CYS H 1 20 GLY QA 0.000 3.500 1000.000 6.006 4.555 7.185 . 0 0 "[ . 1 . 2]" 1
224 1 6 CYS H 1 20 GLY HA3 0.000 3.500 1000.000 6.264 4.693 7.582 . 0 0 "[ . 1 . 2]" 1
225 1 6 CYS H 1 35 ASN HA 0.000 3.500 1000.000 10.081 9.636 10.386 . 0 0 "[ . 1 . 2]" 1
226 1 6 CYS H 1 36 CYS HB2 0.000 3.500 1000.000 5.375 4.932 5.829 . 0 0 "[ . 1 . 2]" 1
227 1 6 CYS H 1 36 CYS HB3 0.000 3.500 1000.000 6.703 6.189 7.101 . 0 0 "[ . 1 . 2]" 1
228 1 6 CYS H 1 37 LYS H 0.000 3.500 1000.000 6.863 6.011 7.398 . 0 0 "[ . 1 . 2]" 1
229 1 6 CYS H 1 37 LYS HA 0.000 3.500 1000.000 6.330 5.650 7.023 . 0 0 "[ . 1 . 2]" 1
230 1 6 CYS H 1 37 LYS QB . 3.500 1000.000 4.706 4.434 5.159 . 0 0 "[ . 1 . 2]" 1
231 1 6 CYS H 1 38 ALA H 0.000 3.500 1000.000 8.288 7.533 8.664 . 0 0 "[ . 1 . 2]" 1
232 1 6 CYS H 1 38 ALA MB 0.000 3.500 1000.000 9.187 8.439 9.623 . 0 0 "[ . 1 . 2]" 1
233 1 6 CYS H 1 39 HIS H 0.000 3.500 1000.000 8.795 8.358 9.230 . 0 0 "[ . 1 . 2]" 1
234 1 6 CYS HA 1 7 ASP H 0.000 . 3.420 2.601 2.271 3.063 . 0 0 "[ . 1 . 2]" 1
235 1 6 CYS HA 1 8 SER H 0.000 3.500 1000.000 4.858 4.175 5.626 . 0 0 "[ . 1 . 2]" 1
236 1 6 CYS HA 1 9 ASP H 0.000 3.500 1000.000 4.636 4.185 5.229 . 0 0 "[ . 1 . 2]" 1
237 1 6 CYS HA 1 9 ASP HB2 0.000 . 4.000 3.968 3.609 4.092 0.092 5 0 "[ . 1 . 2]" 1
238 1 6 CYS HA 1 9 ASP QB 0.000 . 4.100 3.559 3.375 3.645 . 0 0 "[ . 1 . 2]" 1
239 1 6 CYS HA 1 9 ASP HB3 0.000 . 4.000 4.037 3.710 4.090 0.090 5 0 "[ . 1 . 2]" 1
240 1 6 CYS HA 1 10 GLY H 0.000 3.500 1000.000 7.014 5.395 8.165 . 0 0 "[ . 1 . 2]" 1
241 1 6 CYS HA 1 18 LEU H 0.000 3.500 1000.000 10.169 8.264 12.042 . 0 0 "[ . 1 . 2]" 1
242 1 6 CYS HA 1 20 GLY H 0.000 3.500 1000.000 7.911 6.543 8.976 . 0 0 "[ . 1 . 2]" 1
243 1 6 CYS HA 1 37 LYS H 0.000 3.500 1000.000 4.849 4.381 5.303 . 0 0 "[ . 1 . 2]" 1
244 1 6 CYS HA 1 37 LYS QB . . 4.500 2.172 1.983 2.598 . 0 0 "[ . 1 . 2]" 1
245 1 6 CYS HA 1 37 LYS QG 0.000 . 5.630 3.251 2.415 3.937 . 0 0 "[ . 1 . 2]" 1
246 1 6 CYS HA 1 38 ALA H 0.000 3.500 1000.000 5.874 5.340 6.301 . 0 0 "[ . 1 . 2]" 1
247 1 6 CYS HA 1 39 HIS H 0.000 3.500 1000.000 5.966 5.691 6.364 . 0 0 "[ . 1 . 2]" 1
248 1 6 CYS QB 1 7 ASP H . . 4.300 1.913 1.765 2.065 0.015 13 0 "[ . 1 . 2]" 1
249 1 6 CYS QB 1 7 ASP HA . . 4.780 4.210 4.074 4.278 . 0 0 "[ . 1 . 2]" 1
250 1 6 CYS QB 1 8 SER H . . 4.820 3.053 2.367 3.788 . 0 0 "[ . 1 . 2]" 1
251 1 6 CYS QB 1 9 ASP H . 3.500 1000.000 3.004 1.739 5.156 1.761 8 14 "[- *****+*** * ** *2]" 1
252 1 6 CYS QB 1 10 GLY H . 3.500 1000.000 5.428 4.119 7.472 . 0 0 "[ . 1 . 2]" 1
253 1 6 CYS QB 1 18 LEU H . 3.500 1000.000 8.558 6.900 10.113 . 0 0 "[ . 1 . 2]" 1
254 1 6 CYS QB 1 19 SER H . 3.500 1000.000 5.956 5.115 6.578 . 0 0 "[ . 1 . 2]" 1
255 1 6 CYS QB 1 20 GLY H . 3.500 1000.000 6.188 4.889 7.289 . 0 0 "[ . 1 . 2]" 1
256 1 6 CYS QB 1 36 CYS H . 3.500 1000.000 4.405 4.129 4.626 . 0 0 "[ . 1 . 2]" 1
257 1 6 CYS QB 1 36 CYS HA 0.000 . 5.980 3.500 3.250 3.656 . 0 0 "[ . 1 . 2]" 1
258 1 6 CYS QB 1 36 CYS HB2 0.000 . 5.750 2.910 2.533 3.295 . 0 0 "[ . 1 . 2]" 1
259 1 6 CYS QB 1 36 CYS HB3 0.000 . 5.300 3.963 3.792 4.129 . 0 0 "[ . 1 . 2]" 1
260 1 6 CYS QB 1 37 LYS H . 3.500 1000.000 3.281 2.974 3.663 0.526 20 2 "[ . 1 . - +]" 1
261 1 6 CYS QB 1 38 ALA H . 3.500 1000.000 4.839 4.024 5.352 . 0 0 "[ . 1 . 2]" 1
262 1 6 CYS QB 1 39 HIS H . 3.500 1000.000 5.669 5.028 6.277 . 0 0 "[ . 1 . 2]" 1
263 1 6 CYS QB 1 47 CYS HA 0.000 . 6.000 5.340 5.274 5.402 . 0 0 "[ . 1 . 2]" 1
264 1 6 CYS SG 1 36 CYS CB 0.000 . 3.200 2.903 2.851 2.958 . 0 0 "[ . 1 . 2]" 1
265 1 6 CYS SG 1 36 CYS SG 0.000 . 2.100 2.021 2.017 2.025 . 0 0 "[ . 1 . 2]" 1
266 1 7 ASP H 1 8 SER H 0.000 . 3.860 2.750 2.231 3.289 . 0 0 "[ . 1 . 2]" 1
267 1 7 ASP H 1 9 ASP H 0.000 3.500 1000.000 3.671 2.834 4.814 0.666 13 1 "[ . 1 + . 2]" 1
268 1 7 ASP H 1 9 ASP HB2 0.000 3.500 1000.000 4.485 3.800 5.417 . 0 0 "[ . 1 . 2]" 1
269 1 7 ASP H 1 9 ASP HB3 0.000 3.500 1000.000 4.457 3.694 5.244 . 0 0 "[ . 1 . 2]" 1
270 1 7 ASP H 1 12 ARG QB 0.000 3.500 1000.000 9.952 7.866 12.220 . 0 0 "[ . 1 . 2]" 1
271 1 7 ASP H 1 19 SER HA 0.000 3.500 1000.000 9.532 7.903 10.794 . 0 0 "[ . 1 . 2]" 1
272 1 7 ASP H 1 19 SER HB2 0.000 3.500 1000.000 8.015 6.043 10.515 . 0 0 "[ . 1 . 2]" 1
273 1 7 ASP H 1 19 SER HB3 0.000 3.500 1000.000 7.590 6.045 10.564 . 0 0 "[ . 1 . 2]" 1
274 1 7 ASP H 1 35 ASN HB2 0.000 3.500 1000.000 8.855 8.380 9.423 . 0 0 "[ . 1 . 2]" 1
275 1 7 ASP H 1 35 ASN HB3 0.000 3.500 1000.000 8.088 7.509 8.499 . 0 0 "[ . 1 . 2]" 1
276 1 7 ASP H 1 36 CYS H 0.000 3.500 1000.000 5.802 5.485 6.127 . 0 0 "[ . 1 . 2]" 1
277 1 7 ASP H 1 36 CYS HA 0.000 3.500 1000.000 4.854 4.432 5.319 . 0 0 "[ . 1 . 2]" 1
278 1 7 ASP H 1 37 LYS H 0.000 3.500 1000.000 4.358 4.126 4.712 . 0 0 "[ . 1 . 2]" 1
279 1 7 ASP H 1 37 LYS HA 0.000 . 4.110 2.387 1.997 2.839 . 0 0 "[ . 1 . 2]" 1
280 1 7 ASP H 1 37 LYS QB . 3.500 1000.000 2.587 1.699 3.712 1.801 11 16 "[****.-****+***** *2]" 1
281 1 7 ASP H 1 37 LYS QG 0.000 3.500 1000.000 3.112 2.263 4.251 1.237 4 9 "[ **+.- * 1 *. ***]" 1
282 1 7 ASP H 1 38 ALA H 0.000 3.500 1000.000 4.146 3.506 4.579 . 0 0 "[ . 1 . 2]" 1
283 1 7 ASP H 1 38 ALA HA 0.000 3.500 1000.000 6.722 6.208 7.080 . 0 0 "[ . 1 . 2]" 1
284 1 7 ASP H 1 38 ALA MB 0.000 3.500 1000.000 5.663 4.955 6.103 . 0 0 "[ . 1 . 2]" 1
285 1 7 ASP H 1 39 HIS H 0.000 3.500 1000.000 5.320 4.911 5.792 . 0 0 "[ . 1 . 2]" 1
286 1 7 ASP H 1 39 HIS HA 0.000 3.500 1000.000 7.868 7.530 8.402 . 0 0 "[ . 1 . 2]" 1
287 1 7 ASP H 1 40 GLY HA2 0.000 3.500 1000.000 9.259 8.647 9.815 . 0 0 "[ . 1 . 2]" 1
288 1 7 ASP H 1 40 GLY HA3 0.000 3.500 1000.000 8.923 7.857 9.508 . 0 0 "[ . 1 . 2]" 1
289 1 7 ASP HA 1 8 SER H 0.000 . 3.530 3.520 3.357 3.570 0.040 10 0 "[ . 1 . 2]" 1
290 1 7 ASP HA 1 9 ASP H 0.000 . 5.100 3.796 3.325 4.451 . 0 0 "[ . 1 . 2]" 1
291 1 7 ASP HA 1 19 SER H 0.000 3.500 1000.000 10.355 9.509 11.154 . 0 0 "[ . 1 . 2]" 1
292 1 7 ASP HA 1 20 GLY H 0.000 3.500 1000.000 11.202 9.877 12.460 . 0 0 "[ . 1 . 2]" 1
293 1 7 ASP HA 1 37 LYS H 0.000 3.500 1000.000 7.006 6.647 7.481 . 0 0 "[ . 1 . 2]" 1
294 1 7 ASP HA 1 38 ALA H 0.000 3.500 1000.000 5.280 4.256 6.068 . 0 0 "[ . 1 . 2]" 1
295 1 7 ASP HA 1 39 HIS H 0.000 3.500 1000.000 6.341 4.948 7.195 . 0 0 "[ . 1 . 2]" 1
296 1 7 ASP HA 1 39 HIS HD2 0.000 . 5.210 3.693 2.266 5.196 . 0 0 "[ . 1 . 2]" 1
297 1 7 ASP QB 1 8 SER H 0.000 . 5.000 2.485 1.985 3.647 . 0 0 "[ . 1 . 2]" 1
298 1 7 ASP QB 1 38 ALA H 0.000 . 5.700 2.755 2.063 3.251 . 0 0 "[ . 1 . 2]" 1
299 1 7 ASP QB 1 39 HIS H 0.000 . 4.900 4.313 4.125 4.491 . 0 0 "[ . 1 . 2]" 1
300 1 7 ASP HB2 1 9 ASP H 0.000 3.500 1000.000 5.218 5.010 5.606 . 0 0 "[ . 1 . 2]" 1
301 1 7 ASP HB2 1 16 ASN H 0.000 3.500 1000.000 15.251 11.280 18.630 . 0 0 "[ . 1 . 2]" 1
302 1 7 ASP HB2 1 18 LEU H 0.000 3.500 1000.000 14.031 11.696 15.985 . 0 0 "[ . 1 . 2]" 1
303 1 7 ASP HB2 1 21 ILE H 0.000 3.500 1000.000 12.232 11.172 13.378 . 0 0 "[ . 1 . 2]" 1
304 1 7 ASP HB2 1 36 CYS H 0.000 3.500 1000.000 7.424 6.699 8.600 . 0 0 "[ . 1 . 2]" 1
305 1 7 ASP HB2 1 37 LYS H 0.000 3.500 1000.000 5.950 5.280 7.475 . 0 0 "[ . 1 . 2]" 1
306 1 7 ASP HB2 1 46 CYS H 0.000 3.500 1000.000 8.443 7.760 9.944 . 0 0 "[ . 1 . 2]" 1
307 1 7 ASP HB2 1 47 CYS H 0.000 3.500 1000.000 10.703 9.914 12.119 . 0 0 "[ . 1 . 2]" 1
308 1 7 ASP HB3 1 9 ASP H 0.000 3.500 1000.000 4.593 4.058 5.508 . 0 0 "[ . 1 . 2]" 1
309 1 7 ASP HB3 1 16 ASN H 0.000 3.500 1000.000 14.835 11.073 18.104 . 0 0 "[ . 1 . 2]" 1
310 1 7 ASP HB3 1 18 LEU H 0.000 3.500 1000.000 13.430 11.514 15.338 . 0 0 "[ . 1 . 2]" 1
311 1 7 ASP HB3 1 21 ILE H 0.000 3.500 1000.000 11.317 10.585 12.123 . 0 0 "[ . 1 . 2]" 1
312 1 7 ASP HB3 1 36 CYS H 0.000 3.500 1000.000 6.439 6.122 6.997 . 0 0 "[ . 1 . 2]" 1
313 1 7 ASP HB3 1 37 LYS H 0.000 3.500 1000.000 5.208 4.728 5.728 . 0 0 "[ . 1 . 2]" 1
314 1 7 ASP HB3 1 46 CYS H 0.000 3.500 1000.000 8.247 7.734 8.741 . 0 0 "[ . 1 . 2]" 1
315 1 7 ASP HB3 1 47 CYS H 0.000 3.500 1000.000 9.970 9.580 10.626 . 0 0 "[ . 1 . 2]" 1
316 1 8 SER H 1 8 SER HB2 0.000 . 4.160 2.943 2.476 3.684 . 0 0 "[ . 1 . 2]" 1
317 1 8 SER H 1 8 SER HB3 0.000 . 4.160 3.205 2.484 3.730 . 0 0 "[ . 1 . 2]" 1
318 1 8 SER H 1 9 ASP H 0.000 . 4.210 2.603 2.016 3.291 . 0 0 "[ . 1 . 2]" 1
319 1 8 SER H 1 10 GLY H 0.000 3.500 1000.000 5.209 4.407 6.719 . 0 0 "[ . 1 . 2]" 1
320 1 8 SER H 1 12 ARG QB 0.000 3.500 1000.000 8.859 5.324 10.860 . 0 0 "[ . 1 . 2]" 1
321 1 8 SER H 1 13 PRO HA 0.000 3.500 1000.000 12.059 8.368 14.656 . 0 0 "[ . 1 . 2]" 1
322 1 8 SER H 1 13 PRO HB2 0.000 3.500 1000.000 14.042 10.352 16.984 . 0 0 "[ . 1 . 2]" 1
323 1 8 SER H 1 13 PRO HB3 0.000 3.500 1000.000 13.324 9.198 16.264 . 0 0 "[ . 1 . 2]" 1
324 1 8 SER H 1 14 ARG HB2 0.000 3.500 1000.000 13.581 7.671 16.872 . 0 0 "[ . 1 . 2]" 1
325 1 8 SER H 1 14 ARG HB3 0.000 3.500 1000.000 14.005 8.493 17.142 . 0 0 "[ . 1 . 2]" 1
326 1 8 SER H 1 16 ASN HA 0.000 3.500 1000.000 12.716 7.431 16.702 . 0 0 "[ . 1 . 2]" 1
327 1 8 SER H 1 16 ASN HB2 0.000 3.500 1000.000 13.954 9.245 18.794 . 0 0 "[ . 1 . 2]" 1
328 1 8 SER H 1 16 ASN HB3 0.000 3.500 1000.000 14.031 8.722 18.028 . 0 0 "[ . 1 . 2]" 1
329 1 8 SER H 1 19 SER HB2 0.000 3.500 1000.000 7.683 5.932 9.999 . 0 0 "[ . 1 . 2]" 1
330 1 8 SER H 1 19 SER HB3 0.000 3.500 1000.000 7.345 5.456 10.145 . 0 0 "[ . 1 . 2]" 1
331 1 8 SER H 1 20 GLY HA2 0.000 3.500 1000.000 9.610 7.697 11.109 . 0 0 "[ . 1 . 2]" 1
332 1 8 SER H 1 20 GLY HA3 0.000 3.500 1000.000 8.355 7.110 9.646 . 0 0 "[ . 1 . 2]" 1
333 1 8 SER H 1 35 ASN HA 0.000 3.500 1000.000 8.794 7.630 10.416 . 0 0 "[ . 1 . 2]" 1
334 1 8 SER H 1 35 ASN HB2 0.000 3.500 1000.000 9.507 8.164 11.351 . 0 0 "[ . 1 . 2]" 1
335 1 8 SER H 1 35 ASN HB3 0.000 3.500 1000.000 8.381 6.986 10.210 . 0 0 "[ . 1 . 2]" 1
336 1 8 SER H 1 36 CYS H 0.000 3.500 1000.000 6.912 5.765 8.283 . 0 0 "[ . 1 . 2]" 1
337 1 8 SER H 1 36 CYS HA 0.000 3.500 1000.000 4.946 3.894 6.599 . 0 0 "[ . 1 . 2]" 1
338 1 8 SER H 1 36 CYS HB2 0.000 3.500 1000.000 5.523 4.633 6.671 . 0 0 "[ . 1 . 2]" 1
339 1 8 SER H 1 36 CYS HB3 0.000 3.500 1000.000 6.830 5.858 8.013 . 0 0 "[ . 1 . 2]" 1
340 1 8 SER H 1 37 LYS H 0.000 3.500 1000.000 5.968 4.673 7.101 . 0 0 "[ . 1 . 2]" 1
341 1 8 SER H 1 37 LYS HA . 3.500 5.000 4.088 2.886 5.051 0.614 13 2 "[ . -1 + . 2]" 1
342 1 8 SER H 1 37 LYS QB . 3.500 1000.000 4.929 3.871 5.779 . 0 0 "[ . 1 . 2]" 1
343 1 8 SER H 1 38 ALA H 0.000 3.500 1000.000 5.381 4.183 6.415 . 0 0 "[ . 1 . 2]" 1
344 1 8 SER H 1 38 ALA HA 0.000 3.500 1000.000 8.101 6.655 9.257 . 0 0 "[ . 1 . 2]" 1
345 1 8 SER H 1 38 ALA MB 0.000 3.500 1000.000 6.229 5.173 7.175 . 0 0 "[ . 1 . 2]" 1
346 1 8 SER H 1 39 HIS H 0.000 3.500 1000.000 7.304 6.681 7.821 . 0 0 "[ . 1 . 2]" 1
347 1 8 SER H 1 40 GLY HA2 0.000 3.500 1000.000 11.581 10.449 12.472 . 0 0 "[ . 1 . 2]" 1
348 1 8 SER H 1 40 GLY QA 0.000 3.500 1000.000 10.196 9.580 11.015 . 0 0 "[ . 1 . 2]" 1
349 1 8 SER H 1 40 GLY HA3 0.000 3.500 1000.000 11.339 10.753 12.262 . 0 0 "[ . 1 . 2]" 1
350 1 8 SER H 1 47 CYS HA 0.000 3.500 1000.000 8.252 7.384 9.551 . 0 0 "[ . 1 . 2]" 1
351 1 8 SER H 1 48 LYS QB 0.000 3.500 1000.000 7.700 6.633 8.495 . 0 0 "[ . 1 . 2]" 1
352 1 8 SER HA 1 9 ASP H 0.000 . 3.580 3.104 2.615 3.375 . 0 0 "[ . 1 . 2]" 1
353 1 8 SER HA 1 10 GLY H 0.000 3.500 1000.000 4.135 3.328 5.634 0.172 7 0 "[ . 1 . 2]" 1
354 1 8 SER HA 1 12 ARG H 0.000 3.500 1000.000 7.423 4.402 9.532 . 0 0 "[ . 1 . 2]" 1
355 1 8 SER HA 1 21 ILE H 0.000 3.500 1000.000 12.866 11.641 14.082 . 0 0 "[ . 1 . 2]" 1
356 1 8 SER HA 1 22 LEU H 0.000 3.500 1000.000 15.278 14.557 15.902 . 0 0 "[ . 1 . 2]" 1
357 1 8 SER HA 1 34 HIS H 0.000 3.500 1000.000 13.160 11.285 15.620 . 0 0 "[ . 1 . 2]" 1
358 1 8 SER HA 1 35 ASN H 0.000 3.500 1000.000 12.670 11.033 14.902 . 0 0 "[ . 1 . 2]" 1
359 1 8 SER HA 1 36 CYS H 0.000 3.500 1000.000 9.613 8.215 11.144 . 0 0 "[ . 1 . 2]" 1
360 1 8 SER HA 1 37 LYS H 0.000 3.500 1000.000 8.812 7.453 9.960 . 0 0 "[ . 1 . 2]" 1
361 1 8 SER HA 1 38 ALA H 0.000 3.500 1000.000 7.783 6.474 8.473 . 0 0 "[ . 1 . 2]" 1
362 1 8 SER HA 1 41 PRO HA 0.000 3.500 1000.000 14.555 13.475 15.269 . 0 0 "[ . 1 . 2]" 1
363 1 8 SER HA 1 47 CYS H 0.000 3.500 1000.000 12.641 11.509 13.799 . 0 0 "[ . 1 . 2]" 1
364 1 8 SER HA 1 48 LYS H 0.000 3.500 1000.000 11.934 10.422 13.969 . 0 0 "[ . 1 . 2]" 1
365 1 8 SER QB 1 9 ASP H 0.000 . 5.500 3.553 2.700 3.989 . 0 0 "[ . 1 . 2]" 1
366 1 8 SER HB2 1 14 ARG H 0.000 3.500 1000.000 12.439 6.181 16.394 . 0 0 "[ . 1 . 2]" 1
367 1 8 SER HB2 1 21 ILE H 0.000 3.500 1000.000 11.179 9.021 12.695 . 0 0 "[ . 1 . 2]" 1
368 1 8 SER HB2 1 22 LEU H 0.000 3.500 1000.000 14.120 12.496 15.847 . 0 0 "[ . 1 . 2]" 1
369 1 8 SER HB2 1 34 HIS H 0.000 3.500 1000.000 10.862 8.262 13.873 . 0 0 "[ . 1 . 2]" 1
370 1 8 SER HB2 1 35 ASN H 0.000 3.500 1000.000 10.599 8.017 13.477 . 0 0 "[ . 1 . 2]" 1
371 1 8 SER HB2 1 36 CYS H 0.000 3.500 1000.000 8.061 5.691 10.117 . 0 0 "[ . 1 . 2]" 1
372 1 8 SER HB2 1 37 LYS H 0.000 3.500 1000.000 7.722 5.376 9.444 . 0 0 "[ . 1 . 2]" 1
373 1 8 SER HB2 1 46 CYS H 0.000 3.500 1000.000 11.173 9.418 12.748 . 0 0 "[ . 1 . 2]" 1
374 1 8 SER HB2 1 47 CYS H 0.000 3.500 1000.000 11.143 9.187 12.825 . 0 0 "[ . 1 . 2]" 1
375 1 8 SER HB2 1 48 LYS H 0.000 3.500 1000.000 9.807 7.511 12.361 . 0 0 "[ . 1 . 2]" 1
376 1 8 SER HB3 1 14 ARG H 0.000 3.500 1000.000 12.557 5.269 16.636 . 0 0 "[ . 1 . 2]" 1
377 1 8 SER HB3 1 21 ILE H 0.000 3.500 1000.000 11.876 9.716 13.172 . 0 0 "[ . 1 . 2]" 1
378 1 8 SER HB3 1 22 LEU H 0.000 3.500 1000.000 14.753 13.072 16.004 . 0 0 "[ . 1 . 2]" 1
379 1 8 SER HB3 1 34 HIS H 0.000 3.500 1000.000 11.457 8.804 14.292 . 0 0 "[ . 1 . 2]" 1
380 1 8 SER HB3 1 35 ASN H 0.000 3.500 1000.000 11.166 8.723 14.101 . 0 0 "[ . 1 . 2]" 1
381 1 8 SER HB3 1 36 CYS H 0.000 3.500 1000.000 8.660 6.384 10.964 . 0 0 "[ . 1 . 2]" 1
382 1 8 SER HB3 1 37 LYS H 0.000 3.500 1000.000 8.260 6.441 10.133 . 0 0 "[ . 1 . 2]" 1
383 1 8 SER HB3 1 46 CYS H 0.000 3.500 1000.000 11.684 10.105 13.122 . 0 0 "[ . 1 . 2]" 1
384 1 8 SER HB3 1 47 CYS H 0.000 3.500 1000.000 11.796 9.749 13.363 . 0 0 "[ . 1 . 2]" 1
385 1 8 SER HB3 1 48 LYS H 0.000 3.500 1000.000 10.475 7.832 12.766 . 0 0 "[ . 1 . 2]" 1
386 1 9 ASP H 1 9 ASP HB2 0.000 . 3.670 2.733 2.415 3.306 . 0 0 "[ . 1 . 2]" 1
387 1 9 ASP H 1 9 ASP HB3 0.000 . 3.670 2.430 2.212 2.686 . 0 0 "[ . 1 . 2]" 1
388 1 9 ASP H 1 10 GLY H 0.000 . 4.290 3.290 2.350 4.329 0.039 14 0 "[ . 1 . 2]" 1
389 1 9 ASP H 1 19 SER HB2 0.000 3.500 1000.000 6.527 4.524 9.051 . 0 0 "[ . 1 . 2]" 1
390 1 9 ASP H 1 19 SER HB3 0.000 3.500 1000.000 6.322 4.378 9.681 . 0 0 "[ . 1 . 2]" 1
391 1 9 ASP H 1 35 ASN HA 0.000 3.500 1000.000 10.285 8.812 12.644 . 0 0 "[ . 1 . 2]" 1
392 1 9 ASP H 1 36 CYS H 0.000 3.500 1000.000 8.273 6.812 10.551 . 0 0 "[ . 1 . 2]" 1
393 1 9 ASP H 1 36 CYS HB2 0.000 3.500 1000.000 6.010 4.260 8.621 . 0 0 "[ . 1 . 2]" 1
394 1 9 ASP H 1 36 CYS HB3 0.000 3.500 1000.000 7.559 5.923 10.170 . 0 0 "[ . 1 . 2]" 1
395 1 9 ASP H 1 37 LYS H 0.000 3.500 1000.000 7.279 6.130 9.158 . 0 0 "[ . 1 . 2]" 1
396 1 9 ASP H 1 37 LYS HA 0.000 3.500 1000.000 5.718 4.645 6.777 . 0 0 "[ . 1 . 2]" 1
397 1 9 ASP H 1 37 LYS QB . 3.500 1000.000 5.583 4.627 6.784 . 0 0 "[ . 1 . 2]" 1
398 1 9 ASP H 1 38 ALA H 0.000 3.500 1000.000 7.305 6.312 7.967 . 0 0 "[ . 1 . 2]" 1
399 1 9 ASP H 1 38 ALA HA 0.000 3.500 1000.000 9.986 8.812 10.864 . 0 0 "[ . 1 . 2]" 1
400 1 9 ASP H 1 38 ALA MB 0.000 3.500 1000.000 8.038 7.140 8.818 . 0 0 "[ . 1 . 2]" 1
401 1 9 ASP H 1 39 HIS HB2 0.000 3.500 1000.000 8.616 6.819 9.550 . 0 0 "[ . 1 . 2]" 1
402 1 9 ASP H 1 39 HIS HB3 0.000 3.500 1000.000 10.069 8.164 11.265 . 0 0 "[ . 1 . 2]" 1
403 1 9 ASP H 1 40 GLY HA2 0.000 3.500 1000.000 12.546 11.523 13.550 . 0 0 "[ . 1 . 2]" 1
404 1 9 ASP H 1 40 GLY HA3 0.000 3.500 1000.000 12.051 10.634 12.978 . 0 0 "[ . 1 . 2]" 1
405 1 9 ASP H 1 41 PRO HB2 0.000 3.500 1000.000 13.642 12.164 14.634 . 0 0 "[ . 1 . 2]" 1
406 1 9 ASP H 1 41 PRO HB3 0.000 3.500 1000.000 12.033 10.406 13.019 . 0 0 "[ . 1 . 2]" 1
407 1 9 ASP H 1 48 LYS QB 0.000 3.500 1000.000 8.051 6.440 10.876 . 0 0 "[ . 1 . 2]" 1
408 1 9 ASP HA 1 19 SER H 0.000 3.500 1000.000 6.012 4.061 8.416 . 0 0 "[ . 1 . 2]" 1
409 1 9 ASP HA 1 36 CYS H 0.000 3.500 1000.000 9.293 6.797 11.889 . 0 0 "[ . 1 . 2]" 1
410 1 9 ASP HA 1 38 ALA H 0.000 3.500 1000.000 9.663 8.704 10.542 . 0 0 "[ . 1 . 2]" 1
411 1 9 ASP HA 1 39 HIS H 0.000 3.500 1000.000 10.934 9.795 11.634 . 0 0 "[ . 1 . 2]" 1
412 1 9 ASP HA 1 40 GLY H 0.000 3.500 1000.000 13.055 11.742 14.523 . 0 0 "[ . 1 . 2]" 1
413 1 9 ASP HA 1 41 PRO HA 0.000 3.500 1000.000 14.008 12.304 15.224 . 0 0 "[ . 1 . 2]" 1
414 1 9 ASP HA 1 48 LYS H 0.000 3.500 1000.000 10.654 7.787 14.326 . 0 0 "[ . 1 . 2]" 1
415 1 9 ASP QB 1 10 GLY H 0.000 . 4.890 3.326 1.904 4.103 . 0 0 "[ . 1 . 2]" 1
416 1 9 ASP HB2 1 10 GLY H 0.000 . 4.890 4.205 3.436 4.644 . 0 0 "[ . 1 . 2]" 1
417 1 9 ASP HB2 1 12 ARG H 0.000 3.500 1000.000 7.198 5.664 9.000 . 0 0 "[ . 1 . 2]" 1
418 1 9 ASP HB2 1 14 ARG H 0.000 3.500 1000.000 9.855 6.040 13.525 . 0 0 "[ . 1 . 2]" 1
419 1 9 ASP HB2 1 19 SER H 0.000 3.500 1000.000 5.455 3.959 8.063 . 0 0 "[ . 1 . 2]" 1
420 1 9 ASP HB2 1 20 GLY H 0.000 3.500 1000.000 6.616 5.033 10.084 . 0 0 "[ . 1 . 2]" 1
421 1 9 ASP HB2 1 37 LYS H 0.000 3.500 1000.000 7.101 6.104 8.998 . 0 0 "[ . 1 . 2]" 1
422 1 9 ASP HB2 1 38 ALA H 0.000 3.500 1000.000 8.401 7.780 8.994 . 0 0 "[ . 1 . 2]" 1
423 1 9 ASP HB2 1 39 HIS H 0.000 3.500 1000.000 9.231 8.513 9.654 . 0 0 "[ . 1 . 2]" 1
424 1 9 ASP HB2 1 40 GLY H 0.000 3.500 1000.000 11.135 9.912 12.298 . 0 0 "[ . 1 . 2]" 1
425 1 9 ASP HB3 1 10 GLY H 0.000 . 4.890 3.602 1.913 4.663 . 0 0 "[ . 1 . 2]" 1
426 1 9 ASP HB3 1 12 ARG H 0.000 3.500 1000.000 6.577 5.184 8.273 . 0 0 "[ . 1 . 2]" 1
427 1 9 ASP HB3 1 14 ARG H 0.000 3.500 1000.000 9.703 6.213 13.489 . 0 0 "[ . 1 . 2]" 1
428 1 9 ASP HB3 1 19 SER H 0.000 3.500 1000.000 6.609 4.970 9.617 . 0 0 "[ . 1 . 2]" 1
429 1 9 ASP HB3 1 20 GLY H 0.000 3.500 1000.000 8.024 6.261 11.565 . 0 0 "[ . 1 . 2]" 1
430 1 9 ASP HB3 1 37 LYS H 0.000 3.500 1000.000 7.844 7.038 8.752 . 0 0 "[ . 1 . 2]" 1
431 1 9 ASP HB3 1 38 ALA H 0.000 3.500 1000.000 8.406 7.885 9.232 . 0 0 "[ . 1 . 2]" 1
432 1 9 ASP HB3 1 39 HIS H 0.000 3.500 1000.000 9.158 7.794 9.769 . 0 0 "[ . 1 . 2]" 1
433 1 9 ASP HB3 1 40 GLY H 0.000 3.500 1000.000 11.115 9.408 12.464 . 0 0 "[ . 1 . 2]" 1
434 1 10 GLY H 1 12 ARG H 0.000 3.500 1000.000 4.413 2.700 5.428 0.800 6 1 "[ .+ 1 . 2]" 1
435 1 10 GLY H 1 12 ARG QB 0.000 3.500 1000.000 5.300 3.296 6.705 0.204 10 0 "[ . 1 . 2]" 1
436 1 10 GLY H 1 18 LEU H 0.000 3.500 1000.000 9.625 7.129 12.983 . 0 0 "[ . 1 . 2]" 1
437 1 10 GLY H 1 19 SER HB2 0.000 3.500 1000.000 6.529 3.580 10.598 . 0 0 "[ . 1 . 2]" 1
438 1 10 GLY H 1 19 SER HB3 0.000 3.500 1000.000 6.575 2.723 11.974 0.777 13 2 "[ . 1 + . -2]" 1
439 1 10 GLY H 1 36 CYS HA 0.000 3.500 1000.000 8.615 5.756 11.849 . 0 0 "[ . 1 . 2]" 1
440 1 10 GLY H 1 36 CYS HB2 0.000 3.500 1000.000 8.180 5.175 11.295 . 0 0 "[ . 1 . 2]" 1
441 1 10 GLY H 1 36 CYS HB3 0.000 3.500 1000.000 9.765 6.505 12.673 . 0 0 "[ . 1 . 2]" 1
442 1 10 GLY H 1 37 LYS QB . 3.500 1000.000 7.992 6.565 9.615 . 0 0 "[ . 1 . 2]" 1
443 1 10 GLY H 1 38 ALA MB 0.000 3.500 1000.000 10.178 8.619 11.484 . 0 0 "[ . 1 . 2]" 1
444 1 10 GLY H 1 41 PRO HA 0.000 3.500 1000.000 14.663 11.436 16.433 . 0 0 "[ . 1 . 2]" 1
445 1 10 GLY H 1 41 PRO HB2 0.000 3.500 1000.000 15.695 12.765 17.331 . 0 0 "[ . 1 . 2]" 1
446 1 10 GLY H 1 41 PRO HB3 0.000 3.500 1000.000 14.057 11.042 15.793 . 0 0 "[ . 1 . 2]" 1
447 1 10 GLY H 1 47 CYS HA 0.000 3.500 1000.000 11.590 8.565 14.394 . 0 0 "[ . 1 . 2]" 1
448 1 10 GLY H 1 47 CYS HB2 0.000 3.500 1000.000 14.209 11.031 16.944 . 0 0 "[ . 1 . 2]" 1
449 1 10 GLY H 1 47 CYS HB3 0.000 3.500 1000.000 13.861 10.337 16.834 . 0 0 "[ . 1 . 2]" 1
450 1 10 GLY H 1 48 LYS H 0.000 3.500 1000.000 12.625 8.627 15.987 . 0 0 "[ . 1 . 2]" 1
451 1 10 GLY H 1 48 LYS HA 0.000 3.500 1000.000 12.519 8.347 15.927 . 0 0 "[ . 1 . 2]" 1
452 1 10 GLY H 1 48 LYS QB 0.000 3.500 1000.000 9.394 5.495 12.901 . 0 0 "[ . 1 . 2]" 1
453 1 10 GLY QA 1 11 PRO QD 0.000 . 4.150 2.135 2.016 2.507 . 0 0 "[ . 1 . 2]" 1
454 1 10 GLY QA 1 12 ARG H 0.000 3.500 1000.000 3.403 2.908 3.744 0.592 4 2 "[ +. 1- . 2]" 1
455 1 10 GLY QA 1 19 SER H 0.000 3.500 1000.000 8.274 4.944 11.874 . 0 0 "[ . 1 . 2]" 1
456 1 10 GLY QA 1 34 HIS HA 0.000 3.500 1000.000 15.833 12.157 18.848 . 0 0 "[ . 1 . 2]" 1
457 1 10 GLY QA 1 48 LYS H 0.000 3.500 1000.000 13.154 9.239 16.170 . 0 0 "[ . 1 . 2]" 1
458 1 11 PRO HA 1 12 ARG H 0.000 . 3.010 2.840 2.202 3.102 0.092 6 0 "[ . 1 . 2]" 1
459 1 11 PRO QD 1 12 ARG H 0.000 . 4.610 3.489 2.720 3.879 . 0 0 "[ . 1 . 2]" 1
460 1 11 PRO QD 1 12 ARG QD 0.000 . 6.990 4.284 2.449 5.518 . 0 0 "[ . 1 . 2]" 1
461 1 11 PRO HD2 1 12 ARG H 0.000 . 4.440 3.669 2.782 4.192 . 0 0 "[ . 1 . 2]" 1
462 1 11 PRO HD3 1 12 ARG H 0.000 . 4.440 4.392 3.841 4.575 0.135 14 0 "[ . 1 . 2]" 1
463 1 11 PRO QG 1 12 ARG H 0.000 . 5.620 3.704 2.819 4.253 . 0 0 "[ . 1 . 2]" 1
464 1 12 ARG H 1 12 ARG QD 0.000 . 5.000 3.945 2.368 4.551 . 0 0 "[ . 1 . 2]" 1
465 1 12 ARG H 1 12 ARG QG 0.000 . 5.040 3.388 1.990 4.288 . 0 0 "[ . 1 . 2]" 1
466 1 12 ARG H 1 16 ASN HB2 0.000 3.500 1000.000 8.563 2.539 13.229 0.961 13 1 "[ . 1 + . 2]" 1
467 1 12 ARG H 1 16 ASN HB3 0.000 3.500 1000.000 8.743 3.067 12.406 0.433 13 0 "[ . 1 . 2]" 1
468 1 12 ARG H 1 17 THR H 0.000 3.500 1000.000 8.133 4.217 10.685 . 0 0 "[ . 1 . 2]" 1
469 1 12 ARG H 1 17 THR HA 0.000 3.500 1000.000 9.037 6.432 13.152 . 0 0 "[ . 1 . 2]" 1
470 1 12 ARG HA 1 12 ARG QD 0.000 . 4.230 3.490 1.977 3.924 . 0 0 "[ . 1 . 2]" 1
471 1 12 ARG HA 1 12 ARG HG2 0.000 . 3.510 2.726 2.143 3.564 0.054 20 0 "[ . 1 . 2]" 1
472 1 12 ARG HA 1 12 ARG HG3 0.000 . 3.510 2.659 2.282 3.549 0.039 14 0 "[ . 1 . 2]" 1
473 1 12 ARG HA 1 13 PRO HD2 0.000 . 3.190 2.264 2.029 2.541 . 0 0 "[ . 1 . 2]" 1
474 1 12 ARG HA 1 13 PRO HD3 0.000 . 3.190 2.626 2.332 3.212 0.022 2 0 "[ . 1 . 2]" 1
475 1 12 ARG HA 1 14 ARG H 0.000 3.500 1000.000 5.654 4.254 6.567 . 0 0 "[ . 1 . 2]" 1
476 1 12 ARG HA 1 14 ARG HA 0.000 3.500 1000.000 7.200 5.553 8.146 . 0 0 "[ . 1 . 2]" 1
477 1 12 ARG HA 1 18 LEU H 0.000 3.500 1000.000 10.786 5.858 14.268 . 0 0 "[ . 1 . 2]" 1
478 1 12 ARG QB 1 14 ARG H 0.000 3.500 1000.000 4.960 3.172 6.601 0.328 4 0 "[ . 1 . 2]" 1
479 1 12 ARG QB 1 17 THR H 0.000 3.500 1000.000 6.939 5.075 9.193 . 0 0 "[ . 1 . 2]" 1
480 1 12 ARG QG 1 13 PRO QD 0.000 . 6.170 2.966 2.003 4.038 . 0 0 "[ . 1 . 2]" 1
481 1 12 ARG HG2 1 13 PRO HD2 0.000 . 5.920 3.573 2.040 4.942 . 0 0 "[ . 1 . 2]" 1
482 1 12 ARG HG2 1 13 PRO HD3 0.000 . 5.920 4.715 3.686 5.930 0.010 9 0 "[ . 1 . 2]" 1
483 1 12 ARG HG3 1 13 PRO HD2 0.000 . 5.920 3.859 2.211 4.887 . 0 0 "[ . 1 . 2]" 1
484 1 12 ARG HG3 1 13 PRO HD3 0.000 . 5.920 4.782 3.747 5.937 0.017 14 0 "[ . 1 . 2]" 1
485 1 13 PRO HA 1 14 ARG H 0.000 . 2.930 2.449 2.064 2.973 0.043 1 0 "[ . 1 . 2]" 1
486 1 13 PRO HA 1 17 THR H 0.000 3.500 1000.000 7.054 4.490 9.118 . 0 0 "[ . 1 . 2]" 1
487 1 13 PRO HA 1 40 GLY H 0.000 3.500 1000.000 18.925 13.961 23.344 . 0 0 "[ . 1 . 2]" 1
488 1 13 PRO HB2 1 14 ARG H 0.000 . 4.500 3.279 1.783 4.379 . 0 0 "[ . 1 . 2]" 1
489 1 13 PRO HB2 1 15 GLY H 0.000 3.500 1000.000 5.945 3.179 7.198 0.321 5 0 "[ . 1 . 2]" 1
490 1 13 PRO HB2 1 16 ASN H 0.000 3.500 1000.000 6.478 4.325 7.889 . 0 0 "[ . 1 . 2]" 1
491 1 13 PRO HB2 1 17 THR H 0.000 3.500 1000.000 8.270 4.284 10.004 . 0 0 "[ . 1 . 2]" 1
492 1 13 PRO HB2 1 40 GLY H 0.000 3.500 1000.000 20.617 14.906 26.020 . 0 0 "[ . 1 . 2]" 1
493 1 13 PRO HB3 1 14 ARG H 0.000 . 4.500 3.984 3.289 4.546 0.046 7 0 "[ . 1 . 2]" 1
494 1 13 PRO HB3 1 15 GLY H 0.000 3.500 1000.000 7.052 4.648 8.041 . 0 0 "[ . 1 . 2]" 1
495 1 13 PRO HB3 1 16 ASN H 0.000 3.500 1000.000 7.279 5.724 8.978 . 0 0 "[ . 1 . 2]" 1
496 1 13 PRO HB3 1 17 THR H 0.000 3.500 1000.000 8.809 5.902 10.426 . 0 0 "[ . 1 . 2]" 1
497 1 13 PRO HB3 1 40 GLY H 0.000 3.500 1000.000 20.029 13.678 25.074 . 0 0 "[ . 1 . 2]" 1
498 1 13 PRO QG 1 14 ARG H 0.000 . 5.140 3.995 2.876 4.517 . 0 0 "[ . 1 . 2]" 1
499 1 14 ARG H 1 14 ARG HB2 0.000 . 3.970 3.306 2.402 3.996 0.026 16 0 "[ . 1 . 2]" 1
500 1 14 ARG H 1 14 ARG HB3 0.000 . 3.970 3.588 2.436 4.055 0.085 14 0 "[ . 1 . 2]" 1
501 1 14 ARG H 1 14 ARG HG2 0.000 . 3.900 3.187 1.937 3.938 0.038 18 0 "[ . 1 . 2]" 1
502 1 14 ARG H 1 14 ARG QG 0.000 . 4.200 2.553 1.922 3.378 . 0 0 "[ . 1 . 2]" 1
503 1 14 ARG H 1 14 ARG HG3 0.000 . 3.900 2.970 2.059 3.721 . 0 0 "[ . 1 . 2]" 1
504 1 14 ARG H 1 16 ASN H 0.000 3.500 1000.000 4.387 3.053 6.025 0.447 7 0 "[ . 1 . 2]" 1
505 1 14 ARG H 1 16 ASN HB2 0.000 3.500 1000.000 6.540 2.843 9.143 0.657 7 2 "[ . + 1 .- 2]" 1
506 1 14 ARG H 1 16 ASN HB3 0.000 3.500 1000.000 7.036 3.664 9.283 . 0 0 "[ . 1 . 2]" 1
507 1 14 ARG H 1 17 THR HB 0.000 3.500 1000.000 8.374 4.693 11.888 . 0 0 "[ . 1 . 2]" 1
508 1 14 ARG H 1 19 SER HB2 0.000 3.500 1000.000 9.451 4.292 15.882 . 0 0 "[ . 1 . 2]" 1
509 1 14 ARG H 1 19 SER HB3 0.000 3.500 1000.000 9.945 5.614 14.394 . 0 0 "[ . 1 . 2]" 1
510 1 14 ARG H 1 39 HIS HA 0.000 3.500 1000.000 19.585 16.199 23.620 . 0 0 "[ . 1 . 2]" 1
511 1 14 ARG H 1 39 HIS HB2 0.000 3.500 1000.000 16.948 13.202 21.562 . 0 0 "[ . 1 . 2]" 1
512 1 14 ARG H 1 39 HIS HB3 0.000 3.500 1000.000 18.273 14.384 23.223 . 0 0 "[ . 1 . 2]" 1
513 1 14 ARG HA 1 14 ARG HG2 0.000 . 3.920 3.024 2.390 3.916 . 0 0 "[ . 1 . 2]" 1
514 1 14 ARG HA 1 14 ARG HG3 0.000 . 3.920 3.332 2.424 3.865 . 0 0 "[ . 1 . 2]" 1
515 1 14 ARG HA 1 15 GLY H 0.000 . 2.890 2.428 2.002 2.969 0.079 9 0 "[ . 1 . 2]" 1
516 1 14 ARG HA 1 16 ASN H 0.000 . 3.640 3.549 3.208 3.746 0.106 7 0 "[ . 1 . 2]" 1
517 1 14 ARG HA 1 17 THR H 0.000 3.500 1000.000 5.639 3.418 6.934 0.082 4 0 "[ . 1 . 2]" 1
518 1 14 ARG HA 1 40 GLY H 0.000 3.500 1000.000 19.935 15.086 24.485 . 0 0 "[ . 1 . 2]" 1
519 1 14 ARG QB 1 15 GLY H 0.000 . 4.500 3.058 1.756 3.797 0.024 4 0 "[ . 1 . 2]" 1
520 1 14 ARG QB 1 17 THR H 0.000 3.500 1000.000 6.300 4.004 7.770 . 0 0 "[ . 1 . 2]" 1
521 1 14 ARG QB 1 18 LEU H 0.000 3.500 1000.000 8.598 2.890 10.932 0.610 5 1 "[ + 1 . 2]" 1
522 1 14 ARG QB 1 19 SER H 0.000 3.500 1000.000 9.083 2.931 13.230 0.569 5 1 "[ + 1 . 2]" 1
523 1 14 ARG QB 1 38 ALA H 0.000 3.500 1000.000 15.832 11.809 19.595 . 0 0 "[ . 1 . 2]" 1
524 1 15 GLY H 1 17 THR H 0.000 3.500 1000.000 4.890 3.405 6.488 0.095 17 0 "[ . 1 . 2]" 1
525 1 15 GLY H 1 39 HIS HB2 0.000 3.500 1000.000 18.232 14.389 21.867 . 0 0 "[ . 1 . 2]" 1
526 1 15 GLY H 1 39 HIS HB3 0.000 3.500 1000.000 19.665 15.962 23.617 . 0 0 "[ . 1 . 2]" 1
527 1 15 GLY QA 1 17 THR H 0.000 3.500 1000.000 4.187 3.494 5.848 0.006 11 0 "[ . 1 . 2]" 1
528 1 15 GLY QA 1 38 ALA H 0.000 3.500 1000.000 15.887 10.264 19.406 . 0 0 "[ . 1 . 2]" 1
529 1 15 GLY QA 1 39 HIS H 0.000 3.500 1000.000 16.578 12.153 19.290 . 0 0 "[ . 1 . 2]" 1
530 1 16 ASN H 1 17 THR H 0.000 . 3.740 3.170 2.612 3.820 0.080 1 0 "[ . 1 . 2]" 1
531 1 16 ASN H 1 18 LEU H 0.000 3.500 1000.000 6.178 3.128 7.783 0.372 5 0 "[ . 1 . 2]" 1
532 1 16 ASN H 1 39 HIS H 0.000 3.500 1000.000 17.852 14.687 20.044 . 0 0 "[ . 1 . 2]" 1
533 1 16 ASN H 1 39 HIS HB2 0.000 3.500 1000.000 17.518 15.148 20.121 . 0 0 "[ . 1 . 2]" 1
534 1 16 ASN H 1 39 HIS HB3 0.000 3.500 1000.000 19.008 16.112 21.686 . 0 0 "[ . 1 . 2]" 1
535 1 16 ASN HA 1 18 LEU H 0.000 3.500 1000.000 5.591 3.815 6.996 . 0 0 "[ . 1 . 2]" 1
536 1 16 ASN HB2 1 17 THR H 0.000 . 5.020 3.689 2.168 4.723 . 0 0 "[ . 1 . 2]" 1
537 1 16 ASN HB2 1 18 LEU H 0.000 3.500 1000.000 6.398 4.116 8.022 . 0 0 "[ . 1 . 2]" 1
538 1 16 ASN HB2 1 19 SER H 0.000 3.500 1000.000 8.367 6.214 10.059 . 0 0 "[ . 1 . 2]" 1
539 1 16 ASN HB3 1 17 THR H 0.000 . 5.020 3.688 1.944 4.638 . 0 0 "[ . 1 . 2]" 1
540 1 16 ASN HB3 1 18 LEU H 0.000 3.500 1000.000 6.130 4.244 8.305 . 0 0 "[ . 1 . 2]" 1
541 1 16 ASN HB3 1 19 SER H 0.000 3.500 1000.000 8.323 5.751 10.577 . 0 0 "[ . 1 . 2]" 1
542 1 17 THR H 1 17 THR HB 0.000 . 3.690 3.227 2.626 3.766 0.076 13 0 "[ . 1 . 2]" 1
543 1 17 THR H 1 41 PRO HB2 0.000 3.500 1000.000 17.354 14.024 20.773 . 0 0 "[ . 1 . 2]" 1
544 1 17 THR H 1 41 PRO HB3 0.000 3.500 1000.000 15.976 12.730 19.590 . 0 0 "[ . 1 . 2]" 1
545 1 17 THR HA 1 18 LEU H 0.000 . 2.850 2.471 2.087 2.952 0.102 1 0 "[ . 1 . 2]" 1
546 1 17 THR HB 1 18 LEU H 0.000 . 4.380 3.779 2.241 4.396 0.016 3 0 "[ . 1 . 2]" 1
547 1 17 THR MG 1 18 LEU H 0.000 . 6.540 3.586 1.858 4.398 . 0 0 "[ . 1 . 2]" 1
548 1 18 LEU H 1 19 SER H 0.000 . 4.290 3.448 2.157 4.310 0.020 5 0 "[ . 1 . 2]" 1
549 1 18 LEU HA 1 18 LEU HG 0.000 . 3.540 2.897 2.252 3.593 0.053 14 0 "[ . 1 . 2]" 1
550 1 18 LEU HA 1 19 SER H 0.000 . 3.050 2.414 2.117 3.065 0.015 7 0 "[ . 1 . 2]" 1
551 1 18 LEU HA 1 20 GLY H 0.000 . 3.700 3.552 3.196 3.757 0.057 14 0 "[ . 1 . 2]" 1
552 1 18 LEU QB 1 20 GLY H . 3.500 1000.000 3.944 2.420 4.968 1.080 5 3 "[ +- 1 *. 2]" 1
553 1 19 SER H 1 20 GLY H 0.000 . 3.500 2.671 1.873 3.474 . 0 0 "[ . 1 . 2]" 1
554 1 19 SER H 1 36 CYS HB2 0.000 3.500 1000.000 6.219 5.452 7.194 . 0 0 "[ . 1 . 2]" 1
555 1 19 SER H 1 36 CYS HB3 0.000 3.500 1000.000 7.233 6.469 8.031 . 0 0 "[ . 1 . 2]" 1
556 1 19 SER H 1 37 LYS H 0.000 3.500 1000.000 9.468 9.003 10.108 . 0 0 "[ . 1 . 2]" 1
557 1 19 SER H 1 37 LYS QB . 3.500 1000.000 8.295 7.848 8.855 . 0 0 "[ . 1 . 2]" 1
558 1 19 SER H 1 38 ALA HA 0.000 3.500 1000.000 14.005 13.561 14.670 . 0 0 "[ . 1 . 2]" 1
559 1 19 SER H 1 38 ALA MB 0.000 3.500 1000.000 12.313 11.907 12.978 . 0 0 "[ . 1 . 2]" 1
560 1 19 SER H 1 46 CYS QB . 3.500 1000.000 7.147 6.054 8.106 . 0 0 "[ . 1 . 2]" 1
561 1 19 SER HA 1 20 GLY QA 0.000 . 4.700 4.119 3.972 4.243 . 0 0 "[ . 1 . 2]" 1
562 1 19 SER HB2 1 36 CYS H 0.000 3.500 1000.000 9.358 7.813 10.345 . 0 0 "[ . 1 . 2]" 1
563 1 19 SER HB2 1 47 CYS H 0.000 3.500 1000.000 9.472 8.035 10.457 . 0 0 "[ . 1 . 2]" 1
564 1 19 SER HB2 1 48 LYS H 0.000 3.500 1000.000 9.227 8.061 10.392 . 0 0 "[ . 1 . 2]" 1
565 1 19 SER HB2 1 49 LYS H 0.000 3.500 1000.000 8.463 5.625 10.165 . 0 0 "[ . 1 . 2]" 1
566 1 19 SER HB3 1 36 CYS H 0.000 3.500 1000.000 8.775 7.737 10.920 . 0 0 "[ . 1 . 2]" 1
567 1 19 SER HB3 1 47 CYS H 0.000 3.500 1000.000 8.952 7.537 10.596 . 0 0 "[ . 1 . 2]" 1
568 1 19 SER HB3 1 48 LYS H 0.000 3.500 1000.000 8.698 7.802 10.214 . 0 0 "[ . 1 . 2]" 1
569 1 19 SER HB3 1 49 LYS H 0.000 3.500 1000.000 8.112 6.271 9.593 . 0 0 "[ . 1 . 2]" 1
570 1 20 GLY H 1 38 ALA MB 0.000 3.500 1000.000 11.953 11.030 12.841 . 0 0 "[ . 1 . 2]" 1
571 1 20 GLY H 1 46 CYS QB . 3.500 1000.000 6.207 4.776 7.162 . 0 0 "[ . 1 . 2]" 1
572 1 20 GLY H 1 48 LYS QB 0.000 3.500 1000.000 4.382 4.053 5.025 . 0 0 "[ . 1 . 2]" 1
573 1 20 GLY HA2 1 22 LEU H 0.000 3.500 1000.000 6.391 5.986 6.731 . 0 0 "[ . 1 . 2]" 1
574 1 20 GLY HA2 1 37 LYS H 0.000 3.500 1000.000 7.528 5.806 8.738 . 0 0 "[ . 1 . 2]" 1
575 1 20 GLY HA2 1 47 CYS H 0.000 3.500 1000.000 5.163 4.232 5.875 . 0 0 "[ . 1 . 2]" 1
576 1 20 GLY HA2 1 49 LYS H 0.000 3.500 1000.000 4.019 3.280 5.313 0.220 19 0 "[ . 1 . 2]" 1
577 1 20 GLY HA3 1 22 LEU H 0.000 3.500 1000.000 6.014 5.661 6.260 . 0 0 "[ . 1 . 2]" 1
578 1 20 GLY HA3 1 37 LYS H 0.000 3.500 1000.000 6.181 5.134 7.072 . 0 0 "[ . 1 . 2]" 1
579 1 20 GLY HA3 1 47 CYS H 0.000 3.500 1000.000 4.466 3.975 4.725 . 0 0 "[ . 1 . 2]" 1
580 1 20 GLY HA3 1 49 LYS H 0.000 3.500 1000.000 5.374 4.232 7.030 . 0 0 "[ . 1 . 2]" 1
581 1 21 ILE H 1 21 ILE HB 0.000 . 3.630 2.673 2.556 2.783 . 0 0 "[ . 1 . 2]" 1
582 1 21 ILE H 1 23 TRP HD1 0.000 . 6.000 4.054 3.892 4.398 . 0 0 "[ . 1 . 2]" 1
583 1 21 ILE H 1 23 TRP HE1 0.000 . 5.000 4.620 4.372 4.999 . 0 0 "[ . 1 . 2]" 1
584 1 21 ILE H 1 33 TRP HZ3 0.000 . 4.000 2.245 2.011 2.775 . 0 0 "[ . 1 . 2]" 1
585 1 21 ILE H 1 36 CYS HB2 0.000 3.500 1000.000 5.245 4.570 5.890 . 0 0 "[ . 1 . 2]" 1
586 1 21 ILE H 1 36 CYS HB3 0.000 3.500 1000.000 4.350 3.890 4.766 . 0 0 "[ . 1 . 2]" 1
587 1 21 ILE H 1 46 CYS HA 0.000 . 4.810 4.736 4.305 4.871 0.061 19 0 "[ . 1 . 2]" 1
588 1 21 ILE H 1 47 CYS H 0.000 . 3.330 3.320 3.168 3.368 0.038 4 0 "[ . 1 . 2]" 1
589 1 21 ILE H 1 47 CYS HA 0.000 . 5.010 4.647 4.526 4.762 . 0 0 "[ . 1 . 2]" 1
590 1 21 ILE H 1 47 CYS HB2 0.000 . 4.830 4.265 4.128 4.415 . 0 0 "[ . 1 . 2]" 1
591 1 21 ILE H 1 47 CYS QB 0.000 . 5.000 4.022 3.922 4.132 . 0 0 "[ . 1 . 2]" 1
592 1 21 ILE H 1 47 CYS HB3 0.000 . 4.830 4.927 4.892 4.977 0.147 10 0 "[ . 1 . 2]" 1
593 1 21 ILE H 1 48 LYS HA . 3.500 5.010 2.644 2.451 2.947 1.049 19 20 [*********-********+*] 1
594 1 21 ILE H 1 48 LYS QB 0.000 . 4.300 3.573 3.465 3.690 . 0 0 "[ . 1 . 2]" 1
595 1 21 ILE H 1 49 LYS H 0.000 . 4.540 4.646 4.605 4.698 0.158 10 0 "[ . 1 . 2]" 1
596 1 21 ILE HA 1 22 LEU H 0.000 . 2.500 2.241 2.150 2.373 . 0 0 "[ . 1 . 2]" 1
597 1 21 ILE HB 1 23 TRP HD1 0.000 . 4.360 3.538 3.000 4.297 . 0 0 "[ . 1 . 2]" 1
598 1 21 ILE HB 1 23 TRP HE1 0.000 . 4.020 2.916 2.633 3.527 . 0 0 "[ . 1 . 2]" 1
599 1 21 ILE HB 1 33 TRP HE3 0.000 . 4.520 4.186 3.915 4.504 . 0 0 "[ . 1 . 2]" 1
600 1 21 ILE HB 1 33 TRP HH2 0.000 . 3.910 2.361 2.131 2.715 . 0 0 "[ . 1 . 2]" 1
601 1 21 ILE HB 1 33 TRP HZ2 0.000 . 5.250 4.483 4.264 4.774 . 0 0 "[ . 1 . 2]" 1
602 1 21 ILE HB 1 33 TRP HZ3 0.000 . 3.430 2.092 1.911 2.281 . 0 0 "[ . 1 . 2]" 1
603 1 21 ILE HB 1 47 CYS H 0.000 3.500 1000.000 4.510 4.136 5.046 . 0 0 "[ . 1 . 2]" 1
604 1 21 ILE MD 1 22 LEU H 0.000 . 6.780 3.723 3.106 4.470 . 0 0 "[ . 1 . 2]" 1
605 1 21 ILE MD 1 22 LEU QB 0.000 . 7.760 5.360 4.676 6.037 . 0 0 "[ . 1 . 2]" 1
606 1 21 ILE MD 1 23 TRP HD1 0.000 . 8.260 5.980 5.669 6.221 . 0 0 "[ . 1 . 2]" 1
607 1 21 ILE MD 1 23 TRP HZ2 0.000 . 8.260 6.511 6.204 6.830 . 0 0 "[ . 1 . 2]" 1
608 1 21 ILE MD 1 33 TRP HH2 0.000 . 6.600 3.929 3.064 4.504 . 0 0 "[ . 1 . 2]" 1
609 1 21 ILE MD 1 33 TRP HZ2 0.000 . 7.750 5.802 5.088 6.252 . 0 0 "[ . 1 . 2]" 1
610 1 21 ILE MD 1 33 TRP HZ3 0.000 . 6.860 4.271 3.500 4.897 . 0 0 "[ . 1 . 2]" 1
611 1 21 ILE QG 1 23 TRP HD1 0.000 . 7.130 5.196 4.653 5.864 . 0 0 "[ . 1 . 2]" 1
612 1 21 ILE QG 1 23 TRP HE1 0.000 . 6.870 4.255 3.937 5.013 . 0 0 "[ . 1 . 2]" 1
613 1 21 ILE QG 1 23 TRP HZ2 0.000 . 7.170 5.446 5.073 5.816 . 0 0 "[ . 1 . 2]" 1
614 1 21 ILE QG 1 33 TRP HH2 0.000 . 5.100 2.291 1.970 3.363 . 0 0 "[ . 1 . 2]" 1
615 1 21 ILE QG 1 33 TRP HZ2 0.000 . 6.320 4.381 4.051 5.273 . 0 0 "[ . 1 . 2]" 1
616 1 21 ILE QG 1 33 TRP HZ3 0.000 . 5.220 2.837 2.256 4.325 . 0 0 "[ . 1 . 2]" 1
617 1 21 ILE MG 1 22 LEU H 0.000 . 6.310 2.419 2.223 2.809 . 0 0 "[ . 1 . 2]" 1
618 1 21 ILE MG 1 22 LEU HA 0.000 . 7.470 4.094 3.806 4.416 . 0 0 "[ . 1 . 2]" 1
619 1 21 ILE MG 1 23 TRP HD1 0.000 . 5.500 3.873 3.105 4.227 . 0 0 "[ . 1 . 2]" 1
620 1 21 ILE MG 1 23 TRP HE1 0.000 . 7.130 3.421 2.718 3.781 . 0 0 "[ . 1 . 2]" 1
621 1 21 ILE MG 1 23 TRP HZ2 0.000 . 7.490 4.218 3.755 4.545 . 0 0 "[ . 1 . 2]" 1
622 1 21 ILE MG 1 33 TRP HH2 0.000 . 7.080 2.977 2.576 3.292 . 0 0 "[ . 1 . 2]" 1
623 1 21 ILE MG 1 33 TRP HZ3 0.000 . 6.890 3.734 3.209 3.990 . 0 0 "[ . 1 . 2]" 1
624 1 22 LEU H 1 22 LEU HB2 0.000 . 3.740 3.498 2.469 3.704 . 0 0 "[ . 1 . 2]" 1
625 1 22 LEU H 1 22 LEU HB3 0.000 . 3.740 2.508 2.091 2.783 . 0 0 "[ . 1 . 2]" 1
626 1 22 LEU H 1 22 LEU HG 0.000 . 4.090 2.536 1.930 4.175 0.085 18 0 "[ . 1 . 2]" 1
627 1 22 LEU HA 1 22 LEU HG 0.000 . 4.150 3.688 3.069 3.889 . 0 0 "[ . 1 . 2]" 1
628 1 22 LEU HA 1 23 TRP H 0.000 . 2.930 2.293 2.176 2.367 . 0 0 "[ . 1 . 2]" 1
629 1 22 LEU HA 1 23 TRP HD1 0.000 . 4.250 4.297 4.256 4.323 0.073 20 0 "[ . 1 . 2]" 1
630 1 22 LEU HA 1 45 TRP H 0.000 3.500 1000.000 5.105 4.572 5.752 . 0 0 "[ . 1 . 2]" 1
631 1 22 LEU HA 1 46 CYS H 0.000 3.500 1000.000 4.310 3.817 4.639 . 0 0 "[ . 1 . 2]" 1
632 1 22 LEU HA 1 46 CYS HA 0.000 . 3.360 1.799 1.733 1.864 0.047 9 0 "[ . 1 . 2]" 1
633 1 22 LEU HA 1 46 CYS QB . . 4.330 3.364 3.162 3.604 . 0 0 "[ . 1 . 2]" 1
634 1 22 LEU HA 1 47 CYS H 0.000 . 4.320 3.025 2.881 3.203 . 0 0 "[ . 1 . 2]" 1
635 1 22 LEU QB 1 23 TRP H 0.000 . 6.480 2.978 2.620 3.739 . 0 0 "[ . 1 . 2]" 1
636 1 22 LEU QB 1 46 CYS HA 0.000 . 4.250 3.528 3.360 3.770 . 0 0 "[ . 1 . 2]" 1
637 1 22 LEU HB2 1 46 CYS HA 0.000 . 5.000 3.923 3.799 4.115 . 0 0 "[ . 1 . 2]" 1
638 1 22 LEU HB3 1 46 CYS HA 0.000 . 5.000 4.058 3.697 4.808 . 0 0 "[ . 1 . 2]" 1
639 1 22 LEU QD 1 23 TRP H 0.000 . 6.790 3.094 2.081 3.520 . 0 0 "[ . 1 . 2]" 1
640 1 22 LEU QD 1 23 TRP HA 0.000 . 7.180 3.067 2.732 4.243 . 0 0 "[ . 1 . 2]" 1
641 1 22 LEU QD 1 24 PHE HD1 0.000 . 6.250 2.468 2.077 3.553 . 0 0 "[ . 1 . 2]" 1
642 1 22 LEU QD 1 41 PRO QD 0.000 . 7.200 4.462 2.886 4.815 . 0 0 "[ . 1 . 2]" 1
643 1 22 LEU QD 1 46 CYS H 0.000 . 8.720 5.672 3.679 6.330 . 0 0 "[ . 1 . 2]" 1
644 1 22 LEU QD 1 47 CYS H 0.000 . 7.420 5.309 4.476 5.514 . 0 0 "[ . 1 . 2]" 1
645 1 22 LEU HG 1 23 TRP H 0.000 . 4.870 4.491 2.751 4.888 0.018 5 0 "[ . 1 . 2]" 1
646 1 22 LEU HG 1 46 CYS HA 0.000 . 5.500 5.399 4.663 5.541 0.041 19 0 "[ . 1 . 2]" 1
647 1 23 TRP H 1 23 TRP HB2 0.000 . 4.010 2.626 2.535 2.694 . 0 0 "[ . 1 . 2]" 1
648 1 23 TRP H 1 23 TRP HB3 0.000 . 3.660 3.680 3.640 3.709 0.049 5 0 "[ . 1 . 2]" 1
649 1 23 TRP H 1 23 TRP HD1 0.000 . 4.170 4.110 3.922 4.212 0.042 9 0 "[ . 1 . 2]" 1
650 1 23 TRP H 1 24 PHE H 0.000 . 4.200 4.223 4.178 4.244 0.044 8 0 "[ . 1 . 2]" 1
651 1 23 TRP H 1 44 GLY HA2 0.000 3.500 1000.000 4.425 3.488 5.960 0.012 7 0 "[ . 1 . 2]" 1
652 1 23 TRP H 1 44 GLY HA3 0.000 3.500 1000.000 3.410 2.736 4.410 0.764 7 4 "[* . +* 1 .- 2]" 1
653 1 23 TRP H 1 45 TRP H 0.000 . 4.020 3.130 2.655 3.759 . 0 0 "[ . 1 . 2]" 1
654 1 23 TRP H 1 45 TRP HB2 0.000 3.500 1000.000 3.981 3.521 4.476 . 0 0 "[ . 1 . 2]" 1
655 1 23 TRP H 1 45 TRP HB3 0.000 3.500 1000.000 5.152 4.627 5.615 . 0 0 "[ . 1 . 2]" 1
656 1 23 TRP H 1 46 CYS H 0.000 3.500 1000.000 4.476 4.344 4.725 . 0 0 "[ . 1 . 2]" 1
657 1 23 TRP H 1 46 CYS HA 0.000 . 4.250 2.952 2.542 3.619 . 0 0 "[ . 1 . 2]" 1
658 1 23 TRP H 1 46 CYS QB . 3.500 1000.000 4.710 4.206 5.141 . 0 0 "[ . 1 . 2]" 1
659 1 23 TRP H 1 47 CYS HB2 0.000 3.500 1000.000 4.791 4.603 5.017 . 0 0 "[ . 1 . 2]" 1
660 1 23 TRP H 1 47 CYS HB3 0.000 3.500 1000.000 6.383 6.204 6.604 . 0 0 "[ . 1 . 2]" 1
661 1 23 TRP HA 1 23 TRP HD1 0.000 . 4.680 3.892 3.794 4.023 . 0 0 "[ . 1 . 2]" 1
662 1 23 TRP HA 1 23 TRP HE3 0.000 . 3.860 2.580 2.388 2.809 . 0 0 "[ . 1 . 2]" 1
663 1 23 TRP HA 1 24 PHE H 0.000 . 2.550 1.806 1.766 1.863 0.014 2 0 "[ . 1 . 2]" 1
664 1 23 TRP HA 1 25 TYR H 0.000 . 4.250 4.253 4.197 4.277 0.027 8 0 "[ . 1 . 2]" 1
665 1 23 TRP HB2 1 23 TRP HE3 0.000 . 3.850 3.883 3.872 3.908 0.058 13 0 "[ . 1 . 2]" 1
666 1 23 TRP HB2 1 24 PHE H 0.000 . 4.510 4.108 4.027 4.162 . 0 0 "[ . 1 . 2]" 1
667 1 23 TRP HB2 1 25 TYR H 0.000 . 4.180 4.213 4.146 4.250 0.070 5 0 "[ . 1 . 2]" 1
668 1 23 TRP HB2 1 29 CYS H 0.000 3.500 1000.000 5.653 5.286 5.887 . 0 0 "[ . 1 . 2]" 1
669 1 23 TRP HB2 1 29 CYS HA 0.000 . 3.930 3.241 2.896 3.437 . 0 0 "[ . 1 . 2]" 1
670 1 23 TRP HB2 1 30 PRO HD2 0.000 . 3.930 3.826 3.527 3.942 0.012 10 0 "[ . 1 . 2]" 1
671 1 23 TRP HB2 1 44 GLY H 0.000 3.500 1000.000 7.463 6.981 7.905 . 0 0 "[ . 1 . 2]" 1
672 1 23 TRP HB2 1 45 TRP H 0.000 3.500 1000.000 3.856 3.350 4.360 0.150 7 0 "[ . 1 . 2]" 1
673 1 23 TRP HB2 1 46 CYS H 0.000 3.500 1000.000 5.375 4.690 5.662 . 0 0 "[ . 1 . 2]" 1
674 1 23 TRP HB2 1 47 CYS H 0.000 3.500 1000.000 3.785 3.531 4.279 . 0 0 "[ . 1 . 2]" 1
675 1 23 TRP HB3 1 23 TRP HE3 0.000 . 3.830 2.443 2.404 2.491 . 0 0 "[ . 1 . 2]" 1
676 1 23 TRP HB3 1 24 PHE H 0.000 . 4.570 3.087 2.972 3.163 . 0 0 "[ . 1 . 2]" 1
677 1 23 TRP HB3 1 25 TYR H 0.000 . 4.820 2.901 2.703 3.023 . 0 0 "[ . 1 . 2]" 1
678 1 23 TRP HB3 1 29 CYS H 0.000 3.500 1000.000 5.541 5.147 5.851 . 0 0 "[ . 1 . 2]" 1
679 1 23 TRP HB3 1 29 CYS HA 0.000 . 4.330 2.937 2.575 3.251 . 0 0 "[ . 1 . 2]" 1
680 1 23 TRP HB3 1 30 PRO HD2 0.000 . 4.200 3.497 3.348 3.654 . 0 0 "[ . 1 . 2]" 1
681 1 23 TRP HB3 1 30 PRO QD 0.000 . 4.690 2.431 2.240 2.574 . 0 0 "[ . 1 . 2]" 1
682 1 23 TRP HB3 1 44 GLY H 0.000 3.500 1000.000 7.668 7.294 8.103 . 0 0 "[ . 1 . 2]" 1
683 1 23 TRP HB3 1 45 TRP H 0.000 3.500 1000.000 4.172 3.782 4.557 . 0 0 "[ . 1 . 2]" 1
684 1 23 TRP HB3 1 46 CYS H 0.000 3.500 1000.000 6.869 6.171 7.194 . 0 0 "[ . 1 . 2]" 1
685 1 23 TRP HB3 1 47 CYS H 0.000 3.500 1000.000 5.478 5.192 5.977 . 0 0 "[ . 1 . 2]" 1
686 1 23 TRP HD1 1 29 CYS HA 0.000 . 4.660 4.522 4.162 4.698 0.038 16 0 "[ . 1 . 2]" 1
687 1 23 TRP HD1 1 29 CYS HB2 0.000 . 6.100 6.078 5.080 6.146 0.046 17 0 "[ . 1 . 2]" 1
688 1 23 TRP HD1 1 29 CYS QB 0.000 . 6.460 4.300 3.756 4.426 . 0 0 "[ . 1 . 2]" 1
689 1 23 TRP HD1 1 29 CYS HB3 0.000 . 6.100 4.398 3.869 4.539 . 0 0 "[ . 1 . 2]" 1
690 1 23 TRP HD1 1 30 PRO HD2 0.000 . 4.550 3.621 3.373 3.843 . 0 0 "[ . 1 . 2]" 1
691 1 23 TRP HD1 1 30 PRO QD 0.000 . 4.370 3.443 3.228 3.629 . 0 0 "[ . 1 . 2]" 1
692 1 23 TRP HD1 1 30 PRO HD3 0.000 . 4.550 4.316 3.970 4.535 . 0 0 "[ . 1 . 2]" 1
693 1 23 TRP HD1 1 30 PRO QG 0.000 . 5.710 4.452 4.144 4.676 . 0 0 "[ . 1 . 2]" 1
694 1 23 TRP HD1 1 33 TRP HE3 0.000 . 3.590 3.081 2.947 3.235 . 0 0 "[ . 1 . 2]" 1
695 1 23 TRP HD1 1 33 TRP HZ3 0.000 . 4.590 3.420 3.214 3.685 . 0 0 "[ . 1 . 2]" 1
696 1 23 TRP HD1 1 46 CYS HA 0.000 . 4.590 4.253 3.973 4.517 . 0 0 "[ . 1 . 2]" 1
697 1 23 TRP HD1 1 47 CYS H 0.000 . 3.920 2.909 2.572 3.267 . 0 0 "[ . 1 . 2]" 1
698 1 23 TRP HD1 1 47 CYS HA 0.000 . 4.860 4.674 4.452 4.846 . 0 0 "[ . 1 . 2]" 1
699 1 23 TRP HD1 1 47 CYS HB2 0.000 . 3.830 1.924 1.845 1.991 . 0 0 "[ . 1 . 2]" 1
700 1 23 TRP HD1 1 47 CYS QB 0.000 . 3.540 1.915 1.838 1.980 . 0 0 "[ . 1 . 2]" 1
701 1 23 TRP HD1 1 47 CYS HB3 0.000 . 3.830 3.445 3.290 3.562 . 0 0 "[ . 1 . 2]" 1
702 1 23 TRP HE1 1 33 TRP HE3 0.000 . 4.600 3.221 3.046 3.419 . 0 0 "[ . 1 . 2]" 1
703 1 23 TRP HE1 1 33 TRP HZ3 0.000 . 4.410 2.890 2.745 2.986 . 0 0 "[ . 1 . 2]" 1
704 1 23 TRP HE1 1 47 CYS QB 0.000 . 5.820 3.811 3.641 3.933 . 0 0 "[ . 1 . 2]" 1
705 1 23 TRP HE3 1 24 PHE H 0.000 . 4.000 1.888 1.819 1.934 . 0 0 "[ . 1 . 2]" 1
706 1 23 TRP HE3 1 30 PRO QB 0.000 . 6.230 3.972 3.760 4.247 . 0 0 "[ . 1 . 2]" 1
707 1 23 TRP HE3 1 30 PRO HD2 0.000 . 5.250 4.374 4.194 4.613 . 0 0 "[ . 1 . 2]" 1
708 1 23 TRP HE3 1 30 PRO QD 0.000 . 5.000 2.899 2.679 3.090 . 0 0 "[ . 1 . 2]" 1
709 1 23 TRP HE3 1 30 PRO HD3 0.000 . 5.250 2.942 2.709 3.144 . 0 0 "[ . 1 . 2]" 1
710 1 23 TRP HE3 1 30 PRO HG2 0.000 . 5.120 5.111 4.932 5.172 0.052 16 0 "[ . 1 . 2]" 1
711 1 23 TRP HE3 1 30 PRO QG 0.000 . 4.890 3.530 3.327 3.623 . 0 0 "[ . 1 . 2]" 1
712 1 23 TRP HE3 1 30 PRO HG3 0.000 . 5.120 3.598 3.382 3.700 . 0 0 "[ . 1 . 2]" 1
713 1 23 TRP HH2 1 33 TRP HZ2 0.000 . 5.060 4.912 4.765 5.063 0.003 2 0 "[ . 1 . 2]" 1
714 1 23 TRP HZ2 1 30 PRO QB 0.000 . 6.000 4.828 4.683 4.954 . 0 0 "[ . 1 . 2]" 1
715 1 23 TRP HZ2 1 30 PRO HD2 0.000 . 6.870 5.049 4.820 5.298 . 0 0 "[ . 1 . 2]" 1
716 1 23 TRP HZ2 1 30 PRO QD 0.000 . 6.010 4.553 4.371 4.768 . 0 0 "[ . 1 . 2]" 1
717 1 23 TRP HZ2 1 30 PRO HG2 0.000 . 5.800 4.162 3.968 4.338 . 0 0 "[ . 1 . 2]" 1
718 1 23 TRP HZ2 1 30 PRO QG 0.000 . 4.800 3.145 3.026 3.245 . 0 0 "[ . 1 . 2]" 1
719 1 23 TRP HZ2 1 30 PRO HG3 0.000 . 5.800 3.257 3.117 3.378 . 0 0 "[ . 1 . 2]" 1
720 1 23 TRP HZ2 1 33 TRP HE1 0.000 . 4.260 3.350 3.067 3.628 . 0 0 "[ . 1 . 2]" 1
721 1 23 TRP HZ2 1 33 TRP HH2 0.000 . 3.910 3.955 3.908 3.979 0.069 12 0 "[ . 1 . 2]" 1
722 1 23 TRP HZ2 1 33 TRP HZ2 0.000 . 3.610 2.576 2.430 2.712 . 0 0 "[ . 1 . 2]" 1
723 1 23 TRP HZ3 1 24 PHE HB2 0.000 . 4.630 3.554 3.369 3.745 . 0 0 "[ . 1 . 2]" 1
724 1 23 TRP HZ3 1 24 PHE HB3 0.000 . 4.230 4.313 4.283 4.330 0.100 7 0 "[ . 1 . 2]" 1
725 1 24 PHE H 1 24 PHE HB2 0.000 . 3.440 2.036 1.998 2.082 . 0 0 "[ . 1 . 2]" 1
726 1 24 PHE H 1 24 PHE HB3 0.000 . 3.370 3.321 3.256 3.378 0.008 13 0 "[ . 1 . 2]" 1
727 1 24 PHE H 1 24 PHE HD1 0.000 . 3.520 2.887 2.717 3.156 . 0 0 "[ . 1 . 2]" 1
728 1 24 PHE H 1 25 TYR H 0.000 . 3.370 3.352 3.225 3.404 0.034 7 0 "[ . 1 . 2]" 1
729 1 24 PHE H 1 45 TRP HB2 0.000 3.500 1000.000 6.400 6.019 6.804 . 0 0 "[ . 1 . 2]" 1
730 1 24 PHE H 1 45 TRP HB3 0.000 3.500 1000.000 8.012 7.662 8.340 . 0 0 "[ . 1 . 2]" 1
731 1 24 PHE HA 1 24 PHE HD1 0.000 . 3.360 2.817 2.340 3.314 . 0 0 "[ . 1 . 2]" 1
732 1 24 PHE HA 1 25 TYR H 0.000 . 3.350 2.699 2.551 2.884 . 0 0 "[ . 1 . 2]" 1
733 1 24 PHE HA 1 44 GLY H 0.000 3.500 1000.000 5.379 5.078 5.729 . 0 0 "[ . 1 . 2]" 1
734 1 24 PHE HA 1 44 GLY HA2 0.000 . 3.860 3.316 2.988 3.885 0.025 10 0 "[ . 1 . 2]" 1
735 1 24 PHE HA 1 44 GLY QA 0.000 . 3.440 2.940 2.783 3.167 . 0 0 "[ . 1 . 2]" 1
736 1 24 PHE HA 1 44 GLY HA3 0.000 . 3.860 3.402 2.853 3.725 . 0 0 "[ . 1 . 2]" 1
737 1 24 PHE HA 1 45 TRP H 0.000 . 4.210 4.269 4.230 4.308 0.098 2 0 "[ . 1 . 2]" 1
738 1 24 PHE HA 1 45 TRP HD1 0.000 . 4.510 4.398 4.170 4.550 0.040 12 0 "[ . 1 . 2]" 1
739 1 24 PHE HB3 1 25 TYR H 0.000 . 4.770 4.410 4.367 4.428 . 0 0 "[ . 1 . 2]" 1
740 1 25 TYR H 1 25 TYR QB . . 3.620 2.446 2.350 2.506 . 0 0 "[ . 1 . 2]" 1
741 1 25 TYR H 1 26 PRO HD2 0.000 . 4.700 4.710 4.661 4.725 0.025 16 0 "[ . 1 . 2]" 1
742 1 25 TYR H 1 26 PRO QD 0.000 . 4.500 4.169 4.130 4.182 . 0 0 "[ . 1 . 2]" 1
743 1 25 TYR H 1 26 PRO HD3 0.000 . 4.640 4.650 4.562 4.702 0.062 14 0 "[ . 1 . 2]" 1
744 1 25 TYR H 1 28 GLY HA2 0.000 3.500 1000.000 5.210 4.701 5.547 . 0 0 "[ . 1 . 2]" 1
745 1 25 TYR H 1 28 GLY HA3 0.000 3.500 1000.000 6.366 5.904 6.761 . 0 0 "[ . 1 . 2]" 1
746 1 25 TYR H 1 29 CYS HA 0.000 3.500 1000.000 4.721 4.319 5.139 . 0 0 "[ . 1 . 2]" 1
747 1 25 TYR H 1 45 TRP H 0.000 3.500 1000.000 3.770 3.344 4.141 0.156 18 0 "[ . 1 . 2]" 1
748 1 25 TYR H 1 45 TRP HB2 0.000 3.500 1000.000 4.888 4.519 5.173 . 0 0 "[ . 1 . 2]" 1
749 1 25 TYR H 1 45 TRP HB3 0.000 3.500 1000.000 6.340 6.090 6.540 . 0 0 "[ . 1 . 2]" 1
750 1 25 TYR HA 1 25 TYR QD 0.000 . 4.480 2.501 1.963 2.874 . 0 0 "[ . 1 . 2]" 1
751 1 25 TYR HA 1 25 TYR HE1 0.000 . 5.500 4.441 4.110 4.707 . 0 0 "[ . 1 . 2]" 1
752 1 25 TYR HA 1 26 PRO QB 0.000 . 5.950 4.470 4.333 4.550 . 0 0 "[ . 1 . 2]" 1
753 1 25 TYR HA 1 26 PRO HD2 0.000 . 3.280 1.995 1.931 2.104 . 0 0 "[ . 1 . 2]" 1
754 1 25 TYR HA 1 26 PRO QD 0.000 . 3.100 1.868 1.829 1.896 . 0 0 "[ . 1 . 2]" 1
755 1 25 TYR HA 1 26 PRO HD3 0.000 . 3.280 2.280 2.076 2.512 . 0 0 "[ . 1 . 2]" 1
756 1 25 TYR HA 1 26 PRO QG 0.000 . 5.280 3.855 3.803 3.911 . 0 0 "[ . 1 . 2]" 1
757 1 25 TYR HA 1 27 SER H 0.000 . 4.640 3.674 3.514 3.905 . 0 0 "[ . 1 . 2]" 1
758 1 25 TYR QB 1 26 PRO HD2 0.000 . 4.910 3.077 2.706 3.502 . 0 0 "[ . 1 . 2]" 1
759 1 25 TYR QB 1 26 PRO QD . . 4.710 2.997 2.654 3.380 . 0 0 "[ . 1 . 2]" 1
760 1 25 TYR QB 1 26 PRO HD3 0.000 . 4.910 4.141 3.832 4.450 . 0 0 "[ . 1 . 2]" 1
761 1 25 TYR QB 1 27 SER H . . 4.300 2.610 2.249 2.761 . 0 0 "[ . 1 . 2]" 1
762 1 25 TYR QB 1 28 GLY H . 3.500 1000.000 2.982 2.609 3.507 0.891 18 11 "[ **. *** -* .**+ *]" 1
763 1 25 TYR QB 1 29 CYS H . 3.500 1000.000 4.193 3.711 4.649 . 0 0 "[ . 1 . 2]" 1
764 1 25 TYR QB 1 44 GLY H . 3.500 1000.000 8.011 7.698 8.311 . 0 0 "[ . 1 . 2]" 1
765 1 25 TYR QD 1 26 PRO HA 0.000 . 6.090 5.798 5.717 5.855 . 0 0 "[ . 1 . 2]" 1
766 1 25 TYR QD 1 26 PRO HD2 0.000 . 6.050 3.106 2.689 3.532 . 0 0 "[ . 1 . 2]" 1
767 1 25 TYR QD 1 26 PRO QD 0.000 . 6.000 3.001 2.656 3.337 . 0 0 "[ . 1 . 2]" 1
768 1 25 TYR QD 1 26 PRO HD3 0.000 . 6.060 4.145 3.583 4.607 . 0 0 "[ . 1 . 2]" 1
769 1 25 TYR QD 1 26 PRO QG 0.000 . 6.010 4.274 3.702 4.982 . 0 0 "[ . 1 . 2]" 1
770 1 25 TYR QD 1 30 PRO QB 0.000 . 8.880 2.999 2.825 3.165 . 0 0 "[ . 1 . 2]" 1
771 1 25 TYR QD 1 30 PRO QD 0.000 . 6.050 3.434 2.970 3.809 . 0 0 "[ . 1 . 2]" 1
772 1 25 TYR QD 1 30 PRO QG 0.000 . 10.020 4.070 3.587 4.459 . 0 0 "[ . 1 . 2]" 1
773 1 26 PRO HA 1 27 SER H 0.000 . 4.050 3.396 3.316 3.499 . 0 0 "[ . 1 . 2]" 1
774 1 26 PRO HA 1 28 GLY H 0.000 . 4.800 3.588 3.437 3.789 . 0 0 "[ . 1 . 2]" 1
775 1 26 PRO HA 1 44 GLY H 0.000 3.500 1000.000 7.648 6.570 8.392 . 0 0 "[ . 1 . 2]" 1
776 1 26 PRO HA 1 45 TRP HD1 0.000 . 5.380 5.023 4.320 5.394 0.014 7 0 "[ . 1 . 2]" 1
777 1 26 PRO HA 1 45 TRP HE1 0.000 . 4.130 2.901 2.434 3.318 . 0 0 "[ . 1 . 2]" 1
778 1 26 PRO QB 1 27 SER H 0.000 . 4.840 3.488 3.340 3.668 . 0 0 "[ . 1 . 2]" 1
779 1 26 PRO QD 1 27 SER H 0.000 . 6.040 2.613 2.329 2.903 . 0 0 "[ . 1 . 2]" 1
780 1 26 PRO QG 1 27 SER H 0.000 . 5.580 2.393 2.054 2.741 . 0 0 "[ . 1 . 2]" 1
781 1 27 SER H 1 27 SER HB2 0.000 . 4.130 3.511 3.428 3.578 . 0 0 "[ . 1 . 2]" 1
782 1 27 SER H 1 27 SER HB3 0.000 . 3.920 2.939 2.810 3.105 . 0 0 "[ . 1 . 2]" 1
783 1 27 SER H 1 28 GLY H 0.000 . 3.080 2.608 2.233 3.101 0.021 15 0 "[ . 1 . 2]" 1
784 1 27 SER H 1 29 CYS H 0.000 3.500 1000.000 5.895 5.055 6.658 . 0 0 "[ . 1 . 2]" 1
785 1 27 SER H 1 43 ILE HA 0.000 3.500 1000.000 11.846 11.055 12.644 . 0 0 "[ . 1 . 2]" 1
786 1 27 SER H 1 44 GLY HA2 0.000 3.500 1000.000 8.004 6.972 8.671 . 0 0 "[ . 1 . 2]" 1
787 1 27 SER H 1 44 GLY HA3 0.000 3.500 1000.000 9.223 7.677 9.932 . 0 0 "[ . 1 . 2]" 1
788 1 27 SER HA 1 45 TRP HE1 0.000 . 6.650 5.356 4.577 5.798 . 0 0 "[ . 1 . 2]" 1
789 1 27 SER HA 1 45 TRP HZ2 0.000 . 5.490 5.068 3.985 5.514 0.024 14 0 "[ . 1 . 2]" 1
790 1 27 SER HB2 1 28 GLY H 0.000 . 4.500 4.262 4.042 4.442 . 0 0 "[ . 1 . 2]" 1
791 1 27 SER HB2 1 29 CYS H 0.000 3.500 1000.000 5.272 4.087 6.513 . 0 0 "[ . 1 . 2]" 1
792 1 27 SER HB2 1 43 ILE H 0.000 3.500 1000.000 15.225 14.581 15.932 . 0 0 "[ . 1 . 2]" 1
793 1 27 SER HB3 1 28 GLY H 0.000 . 4.680 4.546 4.295 4.646 . 0 0 "[ . 1 . 2]" 1
794 1 27 SER HB3 1 29 CYS H 0.000 3.500 1000.000 6.684 5.543 7.738 . 0 0 "[ . 1 . 2]" 1
795 1 27 SER HB3 1 43 ILE H 0.000 3.500 1000.000 15.259 14.537 15.967 . 0 0 "[ . 1 . 2]" 1
796 1 28 GLY H 1 43 ILE H 0.000 3.500 1000.000 11.018 10.515 11.629 . 0 0 "[ . 1 . 2]" 1
797 1 28 GLY H 1 43 ILE HA 0.000 3.500 1000.000 10.777 10.186 11.550 . 0 0 "[ . 1 . 2]" 1
798 1 28 GLY H 1 44 GLY H 0.000 3.500 1000.000 8.561 7.982 9.180 . 0 0 "[ . 1 . 2]" 1
799 1 28 GLY H 1 45 TRP HE1 0.000 . 3.990 2.766 2.377 3.100 . 0 0 "[ . 1 . 2]" 1
800 1 28 GLY QA 1 45 TRP H 0.000 . 5.910 4.891 4.419 5.052 . 0 0 "[ . 1 . 2]" 1
801 1 28 GLY QA 1 45 TRP HD1 0.000 . 5.150 3.254 2.804 3.543 . 0 0 "[ . 1 . 2]" 1
802 1 28 GLY QA 1 45 TRP HE1 0.000 . 4.440 3.154 2.944 3.318 . 0 0 "[ . 1 . 2]" 1
803 1 28 GLY HA2 1 29 CYS H 0.000 . 3.460 3.317 2.913 3.461 0.001 11 0 "[ . 1 . 2]" 1
804 1 28 GLY HA2 1 43 ILE H . 3.500 1000.000 10.117 9.452 10.888 . 0 0 "[ . 1 . 2]" 1
805 1 28 GLY HA2 1 44 GLY H . 3.500 1000.000 7.955 7.316 8.645 . 0 0 "[ . 1 . 2]" 1
806 1 28 GLY HA2 1 45 TRP HE1 0.000 . 4.500 3.202 2.982 3.384 . 0 0 "[ . 1 . 2]" 1
807 1 28 GLY HA2 1 45 TRP HE3 0.000 . 5.500 4.109 3.882 4.311 . 0 0 "[ . 1 . 2]" 1
808 1 28 GLY HA2 1 46 CYS H . 3.500 1000.000 6.995 5.575 7.507 . 0 0 "[ . 1 . 2]" 1
809 1 28 GLY HA3 1 29 CYS H 0.000 . 3.460 2.249 2.190 2.444 . 0 0 "[ . 1 . 2]" 1
810 1 28 GLY HA3 1 43 ILE H 0.000 3.500 1000.000 11.825 11.138 12.605 . 0 0 "[ . 1 . 2]" 1
811 1 28 GLY HA3 1 44 GLY H 0.000 3.500 1000.000 9.696 9.041 10.337 . 0 0 "[ . 1 . 2]" 1
812 1 28 GLY HA3 1 45 TRP HE1 0.000 . 4.780 4.751 4.544 4.805 0.025 15 0 "[ . 1 . 2]" 1
813 1 28 GLY HA3 1 46 CYS H 0.000 3.500 1000.000 8.037 6.285 8.645 . 0 0 "[ . 1 . 2]" 1
814 1 29 CYS CB 1 47 CYS SG 0.000 . 3.200 3.033 3.013 3.056 . 0 0 "[ . 1 . 2]" 1
815 1 29 CYS H 1 29 CYS HB2 0.000 . 3.450 2.638 2.401 2.775 . 0 0 "[ . 1 . 2]" 1
816 1 29 CYS H 1 29 CYS HB3 0.000 . 3.450 3.528 3.490 3.557 0.107 14 0 "[ . 1 . 2]" 1
817 1 29 CYS H 1 30 PRO QD 0.000 . 6.140 4.437 4.360 4.480 . 0 0 "[ . 1 . 2]" 1
818 1 29 CYS H 1 42 ASN H 0.000 3.500 1000.000 13.333 12.505 13.985 . 0 0 "[ . 1 . 2]" 1
819 1 29 CYS H 1 42 ASN HA 0.000 3.500 1000.000 11.722 10.841 12.641 . 0 0 "[ . 1 . 2]" 1
820 1 29 CYS H 1 43 ILE H 0.000 3.500 1000.000 12.653 12.164 13.291 . 0 0 "[ . 1 . 2]" 1
821 1 29 CYS H 1 44 GLY HA2 0.000 3.500 1000.000 8.671 8.234 9.037 . 0 0 "[ . 1 . 2]" 1
822 1 29 CYS H 1 44 GLY HA3 0.000 3.500 1000.000 9.322 8.375 9.802 . 0 0 "[ . 1 . 2]" 1
823 1 29 CYS H 1 45 TRP HB2 0.000 3.500 1000.000 4.707 3.847 5.058 . 0 0 "[ . 1 . 2]" 1
824 1 29 CYS H 1 45 TRP HB3 0.000 3.500 1000.000 5.379 4.181 5.916 . 0 0 "[ . 1 . 2]" 1
825 1 29 CYS HA 1 30 PRO HD2 0.000 . 3.190 2.405 2.320 2.795 . 0 0 "[ . 1 . 2]" 1
826 1 29 CYS HA 1 30 PRO QD 0.000 . 2.950 2.144 2.096 2.228 . 0 0 "[ . 1 . 2]" 1
827 1 29 CYS HA 1 30 PRO HD3 0.000 . 3.190 2.424 2.170 2.502 . 0 0 "[ . 1 . 2]" 1
828 1 29 CYS HA 1 44 GLY H 0.000 3.500 1000.000 9.524 9.266 9.862 . 0 0 "[ . 1 . 2]" 1
829 1 29 CYS HA 1 45 TRP H 0.000 3.500 1000.000 5.741 5.354 6.245 . 0 0 "[ . 1 . 2]" 1
830 1 29 CYS QB 1 30 PRO QD 0.000 . 3.860 2.238 2.059 2.397 . 0 0 "[ . 1 . 2]" 1
831 1 29 CYS QB 1 30 PRO QG 0.000 . 6.700 3.759 3.616 3.923 . 0 0 "[ . 1 . 2]" 1
832 1 29 CYS QB 1 31 SER H 0.000 3.500 1000.000 5.508 5.139 5.869 . 0 0 "[ . 1 . 2]" 1
833 1 29 CYS QB 1 33 TRP HB2 0.000 . 5.510 1.953 1.864 2.203 . 0 0 "[ . 1 . 2]" 1
834 1 29 CYS QB 1 33 TRP QB 0.000 . 4.470 1.864 1.776 2.113 0.004 3 0 "[ . 1 . 2]" 1
835 1 29 CYS QB 1 33 TRP HB3 0.000 . 5.510 2.374 2.189 2.716 . 0 0 "[ . 1 . 2]" 1
836 1 29 CYS QB 1 35 ASN H 0.000 . 5.040 2.906 2.635 3.245 . 0 0 "[ . 1 . 2]" 1
837 1 29 CYS QB 1 44 GLY H 0.000 3.500 1000.000 10.395 9.758 10.885 . 0 0 "[ . 1 . 2]" 1
838 1 29 CYS QB 1 47 CYS HB2 0.000 . 4.870 3.331 3.151 3.588 . 0 0 "[ . 1 . 2]" 1
839 1 29 CYS QB 1 47 CYS QB 0.000 . 4.670 2.688 2.488 2.993 . 0 0 "[ . 1 . 2]" 1
840 1 29 CYS QB 1 47 CYS HB3 0.000 . 4.870 2.843 2.602 3.213 . 0 0 "[ . 1 . 2]" 1
841 1 29 CYS HB2 1 30 PRO HD2 0.000 . 5.030 3.648 3.447 3.802 . 0 0 "[ . 1 . 2]" 1
842 1 29 CYS HB2 1 30 PRO HD3 0.000 . 5.030 4.670 4.451 4.800 . 0 0 "[ . 1 . 2]" 1
843 1 29 CYS HB2 1 33 TRP HB2 0.000 . 4.900 2.773 2.320 3.462 . 0 0 "[ . 1 . 2]" 1
844 1 29 CYS HB2 1 33 TRP HB3 0.000 . 4.900 3.583 3.210 4.107 . 0 0 "[ . 1 . 2]" 1
845 1 29 CYS HB2 1 35 ASN H 0.000 . 5.300 3.320 2.949 3.808 . 0 0 "[ . 1 . 2]" 1
846 1 29 CYS HB2 1 47 CYS HB2 0.000 . 5.830 4.918 4.220 5.136 . 0 0 "[ . 1 . 2]" 1
847 1 29 CYS HB2 1 47 CYS HB3 0.000 . 5.830 4.137 3.892 4.527 . 0 0 "[ . 1 . 2]" 1
848 1 29 CYS HB3 1 30 PRO HD2 0.000 . 5.030 2.288 2.099 2.459 . 0 0 "[ . 1 . 2]" 1
849 1 29 CYS HB3 1 30 PRO HD3 0.000 . 5.030 3.629 3.215 3.797 . 0 0 "[ . 1 . 2]" 1
850 1 29 CYS HB3 1 33 TRP HB2 0.000 . 4.900 2.001 1.916 2.228 . 0 0 "[ . 1 . 2]" 1
851 1 29 CYS HB3 1 33 TRP HB3 0.000 . 4.900 2.409 2.220 2.771 . 0 0 "[ . 1 . 2]" 1
852 1 29 CYS HB3 1 35 ASN H 0.000 . 5.300 3.222 2.966 3.844 . 0 0 "[ . 1 . 2]" 1
853 1 29 CYS HB3 1 47 CYS HB2 0.000 . 5.830 3.391 3.194 3.663 . 0 0 "[ . 1 . 2]" 1
854 1 29 CYS HB3 1 47 CYS HB3 0.000 . 5.830 2.901 2.643 3.418 . 0 0 "[ . 1 . 2]" 1
855 1 29 CYS SG 1 47 CYS CB 0.000 . 3.200 3.082 3.061 3.096 . 0 0 "[ . 1 . 2]" 1
856 1 29 CYS SG 1 47 CYS SG 0.000 . 2.100 2.021 2.014 2.023 . 0 0 "[ . 1 . 2]" 1
857 1 30 PRO HA 1 31 SER H 0.000 . 2.570 2.302 2.223 2.468 . 0 0 "[ . 1 . 2]" 1
858 1 30 PRO HA 1 33 TRP HD1 0.000 . 4.750 4.795 4.764 4.819 0.069 13 0 "[ . 1 . 2]" 1
859 1 30 PRO QB 1 31 SER H 0.000 . 4.760 2.492 2.154 2.670 . 0 0 "[ . 1 . 2]" 1
860 1 30 PRO QB 1 31 SER QB 0.000 . 6.210 3.988 3.767 4.424 . 0 0 "[ . 1 . 2]" 1
861 1 30 PRO QB 1 33 TRP QB 0.000 . 6.210 4.528 4.399 4.671 . 0 0 "[ . 1 . 2]" 1
862 1 30 PRO QB 1 33 TRP HD1 0.000 . 4.510 3.628 3.492 3.769 . 0 0 "[ . 1 . 2]" 1
863 1 30 PRO QB 1 33 TRP HE1 0.000 . 5.190 4.277 4.144 4.423 . 0 0 "[ . 1 . 2]" 1
864 1 30 PRO QD 1 33 TRP QB 0.000 . 3.900 2.484 2.351 2.574 . 0 0 "[ . 1 . 2]" 1
865 1 30 PRO QD 1 33 TRP HD1 0.000 . 4.970 3.679 3.511 3.868 . 0 0 "[ . 1 . 2]" 1
866 1 30 PRO QD 1 33 TRP HE3 0.000 . 5.710 4.178 4.032 4.253 . 0 0 "[ . 1 . 2]" 1
867 1 30 PRO HD2 1 33 TRP HB2 0.000 . 5.010 2.605 2.450 2.717 . 0 0 "[ . 1 . 2]" 1
868 1 30 PRO HD2 1 33 TRP HB3 0.000 . 5.010 3.269 3.156 3.341 . 0 0 "[ . 1 . 2]" 1
869 1 30 PRO HD2 1 33 TRP HD1 0.000 . 5.570 3.789 3.603 4.003 . 0 0 "[ . 1 . 2]" 1
870 1 30 PRO HD3 1 33 TRP HB2 0.000 . 5.010 4.260 4.078 4.437 . 0 0 "[ . 1 . 2]" 1
871 1 30 PRO HD3 1 33 TRP HB3 0.000 . 5.010 5.018 4.919 5.057 0.047 16 0 "[ . 1 . 2]" 1
872 1 30 PRO HD3 1 33 TRP HD1 0.000 . 5.570 4.980 4.857 5.116 . 0 0 "[ . 1 . 2]" 1
873 1 30 PRO QG 1 33 TRP H 0.000 . 5.990 3.888 3.740 4.093 . 0 0 "[ . 1 . 2]" 1
874 1 30 PRO QG 1 33 TRP QB 0.000 . 4.600 3.027 2.830 3.227 . 0 0 "[ . 1 . 2]" 1
875 1 30 PRO QG 1 33 TRP HD1 0.000 . 4.500 2.119 2.069 2.176 . 0 0 "[ . 1 . 2]" 1
876 1 30 PRO QG 1 33 TRP HE1 0.000 . 5.120 2.916 2.772 3.006 . 0 0 "[ . 1 . 2]" 1
877 1 30 PRO QG 1 33 TRP HE3 0.000 . 5.500 4.828 4.623 4.936 . 0 0 "[ . 1 . 2]" 1
878 1 30 PRO HG2 1 31 SER H 0.000 . 5.010 3.986 3.642 4.155 . 0 0 "[ . 1 . 2]" 1
879 1 30 PRO HG2 1 33 TRP HB2 0.000 . 5.670 3.175 2.948 3.414 . 0 0 "[ . 1 . 2]" 1
880 1 30 PRO HG2 1 33 TRP HB3 0.000 . 5.670 4.266 4.030 4.462 . 0 0 "[ . 1 . 2]" 1
881 1 30 PRO HG2 1 33 TRP HD1 0.000 . 4.430 2.131 2.079 2.190 . 0 0 "[ . 1 . 2]" 1
882 1 30 PRO HG2 1 33 TRP HE1 0.000 . 5.920 3.054 2.890 3.170 . 0 0 "[ . 1 . 2]" 1
883 1 30 PRO HG3 1 31 SER H 0.000 . 5.010 4.891 4.551 5.027 0.017 20 0 "[ . 1 . 2]" 1
884 1 30 PRO HG3 1 33 TRP HB2 0.000 . 5.670 4.547 4.371 4.772 . 0 0 "[ . 1 . 2]" 1
885 1 30 PRO HG3 1 33 TRP HB3 0.000 . 5.670 5.343 5.164 5.529 . 0 0 "[ . 1 . 2]" 1
886 1 30 PRO HG3 1 33 TRP HD1 0.000 . 3.700 3.743 3.720 3.758 0.058 17 0 "[ . 1 . 2]" 1
887 1 30 PRO HG3 1 33 TRP HE1 0.000 . 5.920 3.699 3.529 3.794 . 0 0 "[ . 1 . 2]" 1
888 1 31 SER H 1 32 GLY H 0.000 . 4.270 4.330 4.286 4.383 0.113 14 0 "[ . 1 . 2]" 1
889 1 31 SER H 1 33 TRP HD1 0.000 . 5.380 4.329 4.175 4.526 . 0 0 "[ . 1 . 2]" 1
890 1 31 SER HA 1 32 GLY H 0.000 . 2.470 2.058 1.964 2.161 . 0 0 "[ . 1 . 2]" 1
891 1 31 SER HA 1 33 TRP H 0.000 . 3.760 3.512 3.112 3.768 0.008 17 0 "[ . 1 . 2]" 1
892 1 31 SER QB 1 32 GLY H 0.000 . 4.430 3.637 3.416 3.867 . 0 0 "[ . 1 . 2]" 1
893 1 32 GLY H 1 33 TRP H 0.000 . 4.250 2.257 2.118 2.426 . 0 0 "[ . 1 . 2]" 1
894 1 32 GLY H 1 33 TRP HD1 0.000 . 5.520 3.832 3.589 4.006 . 0 0 "[ . 1 . 2]" 1
895 1 32 GLY QA 1 33 TRP HD1 0.000 . 4.090 3.154 3.055 3.241 . 0 0 "[ . 1 . 2]" 1
896 1 32 GLY QA 1 33 TRP HE1 0.000 . 5.870 4.200 4.122 4.274 . 0 0 "[ . 1 . 2]" 1
897 1 32 GLY HA2 1 33 TRP HD1 0.000 . 4.420 4.406 4.290 4.459 0.039 14 0 "[ . 1 . 2]" 1
898 1 32 GLY HA3 1 33 TRP HD1 0.000 . 4.420 3.231 3.122 3.328 . 0 0 "[ . 1 . 2]" 1
899 1 33 TRP H 1 33 TRP HB2 0.000 . 3.650 2.457 2.419 2.508 . 0 0 "[ . 1 . 2]" 1
900 1 33 TRP H 1 33 TRP QB 0.000 . 3.480 2.421 2.387 2.468 . 0 0 "[ . 1 . 2]" 1
901 1 33 TRP H 1 33 TRP HB3 0.000 . 3.650 3.665 3.642 3.681 0.031 13 0 "[ . 1 . 2]" 1
902 1 33 TRP H 1 33 TRP HD1 0.000 . 3.510 2.447 2.361 2.493 . 0 0 "[ . 1 . 2]" 1
903 1 33 TRP H 1 33 TRP HE1 0.000 . 4.830 4.827 4.770 4.851 0.021 4 0 "[ . 1 . 2]" 1
904 1 33 TRP H 1 34 HIS QB 0.000 . 5.470 4.777 4.725 4.848 . 0 0 "[ . 1 . 2]" 1
905 1 33 TRP HA 1 49 LYS H 0.000 3.500 1000.000 4.623 4.186 4.930 . 0 0 "[ . 1 . 2]" 1
906 1 33 TRP QB 1 34 HIS H 0.000 . 3.540 2.587 2.395 2.767 . 0 0 "[ . 1 . 2]" 1
907 1 33 TRP QB 1 48 LYS H 0.000 . 4.400 2.953 2.893 3.021 . 0 0 "[ . 1 . 2]" 1
908 1 33 TRP HB2 1 34 HIS H 0.000 . 3.810 3.686 3.460 3.815 0.005 13 0 "[ . 1 . 2]" 1
909 1 33 TRP HB2 1 35 ASN H 0.000 3.500 1000.000 3.894 3.730 4.096 . 0 0 "[ . 1 . 2]" 1
910 1 33 TRP HB2 1 48 LYS H 0.000 . 4.630 4.678 4.646 4.719 0.089 16 0 "[ . 1 . 2]" 1
911 1 33 TRP HB2 1 49 LYS H 0.000 3.500 1000.000 6.810 6.371 7.044 . 0 0 "[ . 1 . 2]" 1
912 1 33 TRP HB3 1 34 HIS H 0.000 . 3.810 2.643 2.443 2.842 . 0 0 "[ . 1 . 2]" 1
913 1 33 TRP HB3 1 35 ASN H 0.000 3.500 1000.000 3.094 2.977 3.320 0.523 14 3 "[ . - 1 +. *]" 1
914 1 33 TRP HB3 1 48 LYS H 0.000 . 4.630 2.986 2.922 3.057 . 0 0 "[ . 1 . 2]" 1
915 1 33 TRP HB3 1 49 LYS H 0.000 3.500 1000.000 5.374 5.034 5.588 . 0 0 "[ . 1 . 2]" 1
916 1 33 TRP HD1 1 49 LYS QE 0.000 . 6.150 4.412 2.996 5.253 . 0 0 "[ . 1 . 2]" 1
917 1 33 TRP HD1 1 49 LYS QG 0.000 . 6.260 4.455 3.806 5.449 . 0 0 "[ . 1 . 2]" 1
918 1 33 TRP HE1 1 49 LYS QE 0.000 . 5.780 3.110 2.315 3.980 . 0 0 "[ . 1 . 2]" 1
919 1 33 TRP HE1 1 49 LYS QG 0.000 . 6.130 3.743 3.306 4.561 . 0 0 "[ . 1 . 2]" 1
920 1 33 TRP HE3 1 34 HIS H 0.000 . 4.210 3.822 3.610 4.134 . 0 0 "[ . 1 . 2]" 1
921 1 33 TRP HE3 1 47 CYS HA 0.000 . 4.720 4.244 4.009 4.419 . 0 0 "[ . 1 . 2]" 1
922 1 33 TRP HE3 1 47 CYS HB2 0.000 . 3.750 2.668 2.514 2.997 . 0 0 "[ . 1 . 2]" 1
923 1 33 TRP HE3 1 47 CYS HB3 0.000 . 3.750 2.473 2.393 2.560 . 0 0 "[ . 1 . 2]" 1
924 1 33 TRP HE3 1 48 LYS H 0.000 . 3.780 2.564 2.447 2.667 . 0 0 "[ . 1 . 2]" 1
925 1 33 TRP HE3 1 48 LYS HA 0.000 . 3.420 2.647 2.380 2.848 . 0 0 "[ . 1 . 2]" 1
926 1 33 TRP HE3 1 49 LYS H 0.000 . 4.600 3.883 3.535 4.154 . 0 0 "[ . 1 . 2]" 1
927 1 33 TRP HE3 1 49 LYS HA 0.000 . 4.560 4.055 3.837 4.242 . 0 0 "[ . 1 . 2]" 1
928 1 33 TRP HE3 1 49 LYS QG 0.000 . 6.220 3.654 3.329 4.187 . 0 0 "[ . 1 . 2]" 1
929 1 33 TRP HH2 1 48 LYS HA 0.000 . 4.550 4.551 4.460 4.587 0.037 12 0 "[ . 1 . 2]" 1
930 1 33 TRP HH2 1 49 LYS QE 0.000 . 6.580 4.221 2.717 5.475 . 0 0 "[ . 1 . 2]" 1
931 1 33 TRP HH2 1 49 LYS QG 0.000 . 6.270 3.180 2.868 3.647 . 0 0 "[ . 1 . 2]" 1
932 1 33 TRP HZ2 1 49 LYS QE 0.000 . 5.460 3.056 1.975 4.169 . 0 0 "[ . 1 . 2]" 1
933 1 33 TRP HZ2 1 49 LYS QG 0.000 . 6.020 3.237 2.971 3.681 . 0 0 "[ . 1 . 2]" 1
934 1 33 TRP HZ3 1 47 CYS HB2 0.000 . 4.460 3.975 3.828 4.202 . 0 0 "[ . 1 . 2]" 1
935 1 33 TRP HZ3 1 47 CYS QB 0.000 . 4.290 3.722 3.628 3.850 . 0 0 "[ . 1 . 2]" 1
936 1 33 TRP HZ3 1 47 CYS HB3 0.000 . 4.460 4.493 4.471 4.518 0.058 19 0 "[ . 1 . 2]" 1
937 1 33 TRP HZ3 1 48 LYS HA 0.000 . 3.530 2.333 2.178 2.441 . 0 0 "[ . 1 . 2]" 1
938 1 33 TRP HZ3 1 49 LYS H 0.000 . 4.390 3.705 3.290 3.954 . 0 0 "[ . 1 . 2]" 1
939 1 33 TRP HZ3 1 49 LYS QG 0.000 . 5.870 3.413 3.144 3.930 . 0 0 "[ . 1 . 2]" 1
940 1 34 HIS H 1 47 CYS HA 0.000 . 4.800 4.709 4.501 4.829 0.029 3 0 "[ . 1 . 2]" 1
941 1 34 HIS H 1 47 CYS HB2 0.000 3.500 1000.000 4.869 4.526 5.340 . 0 0 "[ . 1 . 2]" 1
942 1 34 HIS H 1 47 CYS HB3 0.000 3.500 1000.000 3.248 2.907 3.663 0.593 19 1 "[ . 1 . +2]" 1
943 1 34 HIS H 1 48 LYS H 0.000 . 3.550 2.602 2.446 2.833 . 0 0 "[ . 1 . 2]" 1
944 1 34 HIS H 1 48 LYS QB 0.000 . 6.810 4.558 3.850 4.959 . 0 0 "[ . 1 . 2]" 1
945 1 34 HIS H 1 49 LYS H 0.000 3.500 1000.000 5.091 4.855 5.469 . 0 0 "[ . 1 . 2]" 1
946 1 34 HIS H 1 49 LYS HA 0.000 . 5.270 3.983 3.639 4.372 . 0 0 "[ . 1 . 2]" 1
947 1 34 HIS HA 1 35 ASN H 0.000 . 2.830 2.778 2.637 2.854 0.024 14 0 "[ . 1 . 2]" 1
948 1 34 HIS QB 1 35 ASN H 0.000 . 5.100 3.823 3.737 3.930 . 0 0 "[ . 1 . 2]" 1
949 1 35 ASN H 1 35 ASN HB2 0.000 . 3.630 3.177 2.946 3.622 . 0 0 "[ . 1 . 2]" 1
950 1 35 ASN H 1 35 ASN HB3 0.000 . 3.630 3.619 3.472 3.762 0.132 16 0 "[ . 1 . 2]" 1
951 1 35 ASN H 1 35 ASN QD 0.000 . 5.510 4.498 4.079 4.914 . 0 0 "[ . 1 . 2]" 1
952 1 35 ASN H 1 42 ASN HA 0.000 3.500 1000.000 14.014 12.955 15.216 . 0 0 "[ . 1 . 2]" 1
953 1 35 ASN H 1 43 ILE HA 0.000 3.500 1000.000 15.119 14.843 15.634 . 0 0 "[ . 1 . 2]" 1
954 1 35 ASN H 1 47 CYS HA 0.000 . 4.900 3.588 3.426 3.758 . 0 0 "[ . 1 . 2]" 1
955 1 35 ASN H 1 47 CYS HB2 0.000 . 5.300 4.070 3.866 4.323 . 0 0 "[ . 1 . 2]" 1
956 1 35 ASN H 1 47 CYS HB3 0.000 . 5.300 2.509 2.310 2.805 . 0 0 "[ . 1 . 2]" 1
957 1 35 ASN H 1 48 LYS H 0.000 3.500 1000.000 3.003 2.822 3.146 0.678 12 10 "[* **.**- 1 + ** *]" 1
958 1 35 ASN HA 1 36 CYS H 0.000 . 2.900 2.201 2.130 2.335 . 0 0 "[ . 1 . 2]" 1
959 1 35 ASN HA 1 47 CYS HA 0.000 . 3.510 2.252 2.086 2.546 . 0 0 "[ . 1 . 2]" 1
960 1 35 ASN HA 1 48 LYS H 0.000 . 3.600 3.543 3.261 3.630 0.030 19 0 "[ . 1 . 2]" 1
961 1 35 ASN HB2 1 36 CYS H 0.000 . 4.900 3.988 3.796 4.306 . 0 0 "[ . 1 . 2]" 1
962 1 35 ASN HB2 1 37 LYS H 0.000 3.500 1000.000 5.216 4.477 5.916 . 0 0 "[ . 1 . 2]" 1
963 1 35 ASN HB2 1 38 ALA H 0.000 3.500 1000.000 6.740 5.943 7.596 . 0 0 "[ . 1 . 2]" 1
964 1 35 ASN HB2 1 39 HIS H 0.000 3.500 1000.000 7.595 6.677 8.370 . 0 0 "[ . 1 . 2]" 1
965 1 35 ASN HB2 1 40 GLY H 0.000 3.500 1000.000 8.454 7.205 9.763 . 0 0 "[ . 1 . 2]" 1
966 1 35 ASN HB2 1 44 GLY H 0.000 3.500 1000.000 11.876 11.112 13.431 . 0 0 "[ . 1 . 2]" 1
967 1 35 ASN HB2 1 48 LYS H 0.000 3.500 1000.000 5.625 5.387 5.861 . 0 0 "[ . 1 . 2]" 1
968 1 35 ASN HB3 1 36 CYS H 0.000 . 4.760 3.867 3.055 4.254 . 0 0 "[ . 1 . 2]" 1
969 1 35 ASN HB3 1 37 LYS H 0.000 3.500 1000.000 5.021 3.820 5.819 . 0 0 "[ . 1 . 2]" 1
970 1 35 ASN HB3 1 38 ALA H 0.000 3.500 1000.000 6.154 5.325 7.190 . 0 0 "[ . 1 . 2]" 1
971 1 35 ASN HB3 1 39 HIS H 0.000 3.500 1000.000 7.547 6.684 8.440 . 0 0 "[ . 1 . 2]" 1
972 1 35 ASN HB3 1 40 GLY H 0.000 3.500 1000.000 8.853 7.097 10.281 . 0 0 "[ . 1 . 2]" 1
973 1 35 ASN HB3 1 44 GLY H 0.000 3.500 1000.000 13.004 11.682 13.643 . 0 0 "[ . 1 . 2]" 1
974 1 35 ASN HB3 1 48 LYS H 0.000 3.500 1000.000 5.640 5.361 5.837 . 0 0 "[ . 1 . 2]" 1
975 1 36 CYS H 1 36 CYS HB2 0.000 . 3.620 3.682 3.659 3.701 0.081 20 0 "[ . 1 . 2]" 1
976 1 36 CYS H 1 37 LYS H 0.000 . 3.170 1.906 1.750 2.206 0.030 12 0 "[ . 1 . 2]" 1
977 1 36 CYS H 1 38 ALA H 0.000 3.500 1000.000 5.470 4.878 6.085 . 0 0 "[ . 1 . 2]" 1
978 1 36 CYS H 1 39 HIS H 0.000 3.500 1000.000 6.228 5.777 6.622 . 0 0 "[ . 1 . 2]" 1
979 1 36 CYS H 1 39 HIS HA 0.000 3.500 1000.000 9.034 8.427 9.515 . 0 0 "[ . 1 . 2]" 1
980 1 36 CYS H 1 46 CYS QB . 3.500 1000.000 4.180 3.973 4.277 . 0 0 "[ . 1 . 2]" 1
981 1 36 CYS H 1 47 CYS HA 0.000 . 3.270 1.987 1.838 2.224 . 0 0 "[ . 1 . 2]" 1
982 1 36 CYS H 1 48 LYS HB2 0.000 3.500 1000.000 6.308 4.752 7.143 . 0 0 "[ . 1 . 2]" 1
983 1 36 CYS H 1 48 LYS HB3 0.000 3.500 1000.000 5.262 5.030 5.510 . 0 0 "[ . 1 . 2]" 1
984 1 36 CYS HA 1 37 LYS H 0.000 . 3.480 3.500 3.409 3.523 0.043 7 0 "[ . 1 . 2]" 1
985 1 36 CYS HA 1 37 LYS HA 0.000 . 4.880 4.584 4.540 4.668 . 0 0 "[ . 1 . 2]" 1
986 1 36 CYS HA 1 38 ALA H 0.000 3.500 1000.000 5.855 5.101 6.570 . 0 0 "[ . 1 . 2]" 1
987 1 36 CYS HA 1 47 CYS H 0.000 3.500 1000.000 6.214 6.035 6.421 . 0 0 "[ . 1 . 2]" 1
988 1 36 CYS HA 1 48 LYS H 0.000 3.500 1000.000 4.853 4.502 5.208 . 0 0 "[ . 1 . 2]" 1
989 1 36 CYS HA 1 48 LYS QB 0.000 . 5.860 3.989 3.187 4.508 . 0 0 "[ . 1 . 2]" 1
990 1 36 CYS HA 1 48 LYS QD 0.000 . 6.400 3.908 3.097 5.683 . 0 0 "[ . 1 . 2]" 1
991 1 36 CYS HA 1 48 LYS QG 0.000 . 6.560 4.663 4.430 4.959 . 0 0 "[ . 1 . 2]" 1
992 1 36 CYS QB 1 46 CYS H . 3.500 5.900 5.294 5.233 5.374 . 0 0 "[ . 1 . 2]" 1
993 1 36 CYS HB2 1 46 CYS H 0.000 3.500 1000.000 6.511 6.401 6.585 . 0 0 "[ . 1 . 2]" 1
994 1 36 CYS HB3 1 46 CYS H 0.000 3.500 1000.000 5.606 5.512 5.762 . 0 0 "[ . 1 . 2]" 1
995 1 37 LYS H 1 37 LYS QB . . 3.780 2.693 2.326 3.333 . 0 0 "[ . 1 . 2]" 1
996 1 37 LYS H 1 38 ALA H 0.000 . 4.290 4.175 3.920 4.326 0.036 15 0 "[ . 1 . 2]" 1
997 1 37 LYS H 1 39 HIS H 0.000 3.500 1000.000 4.684 4.193 4.901 . 0 0 "[ . 1 . 2]" 1
998 1 37 LYS H 1 40 GLY H 0.000 3.500 1000.000 6.168 4.581 7.124 . 0 0 "[ . 1 . 2]" 1
999 1 37 LYS H 1 46 CYS QB 0.000 3.500 1000.000 3.277 2.447 4.095 1.053 6 3 "[ * -+ 1 . 2]" 1
1000 1 37 LYS H 1 47 CYS HA 0.000 3.500 1000.000 3.556 3.309 4.098 0.191 17 0 "[ . 1 . 2]" 1
1001 1 37 LYS H 1 48 LYS HB2 0.000 3.500 1000.000 7.459 5.660 8.443 . 0 0 "[ . 1 . 2]" 1
1002 1 37 LYS HA 1 38 ALA H 0.000 . 3.070 2.136 2.007 2.275 . 0 0 "[ . 1 . 2]" 1
1003 1 37 LYS HA 1 38 ALA MB 0.000 . 6.690 3.997 3.874 4.118 . 0 0 "[ . 1 . 2]" 1
1004 1 37 LYS HA 1 39 HIS H 0.000 . 4.350 3.512 3.101 3.976 . 0 0 "[ . 1 . 2]" 1
1005 1 37 LYS HA 1 39 HIS HD2 0.000 . 4.580 4.601 4.578 4.625 0.045 16 0 "[ . 1 . 2]" 1
1006 1 37 LYS QB 1 38 ALA H . . 4.510 3.613 2.525 3.965 . 0 0 "[ . 1 . 2]" 1
1007 1 37 LYS QB 1 39 HIS H . . 4.530 3.083 2.184 3.520 . 0 0 "[ . 1 . 2]" 1
1008 1 37 LYS QB 1 40 GLY H 0.000 3.500 1000.000 4.346 2.685 5.418 0.815 18 1 "[ . 1 . + 2]" 1
1009 1 37 LYS QB 1 46 CYS H . 3.500 1000.000 3.406 2.388 4.932 1.112 17 11 "[***-** * 1 *.*+ *]" 1
1010 1 38 ALA H 1 39 HIS H 0.000 . 3.230 2.716 2.369 3.242 0.012 9 0 "[ . 1 . 2]" 1
1011 1 38 ALA HA 1 39 HIS H 0.000 . 3.200 2.925 2.693 3.137 . 0 0 "[ . 1 . 2]" 1
1012 1 38 ALA HA 1 39 HIS HE1 0.000 . 5.270 5.306 5.281 5.323 0.053 14 0 "[ . 1 . 2]" 1
1013 1 38 ALA MB 1 39 HIS HD1 0.000 . 7.340 3.072 2.931 3.355 . 0 0 "[ . 1 . 2]" 1
1014 1 38 ALA MB 1 39 HIS HE1 0.000 . 6.970 2.682 2.570 2.973 . 0 0 "[ . 1 . 2]" 1
1015 1 38 ALA MB 1 40 GLY H 0.000 3.500 1000.000 4.926 4.541 6.318 . 0 0 "[ . 1 . 2]" 1
1016 1 38 ALA MB 1 46 CYS H 0.000 3.500 1000.000 6.907 6.287 7.987 . 0 0 "[ . 1 . 2]" 1
1017 1 39 HIS H 1 39 HIS HB2 0.000 . 4.060 2.849 2.762 3.005 . 0 0 "[ . 1 . 2]" 1
1018 1 39 HIS H 1 39 HIS QB 0.000 . 3.760 2.781 2.703 2.918 . 0 0 "[ . 1 . 2]" 1
1019 1 39 HIS H 1 39 HIS HB3 0.000 . 4.060 3.880 3.830 3.954 . 0 0 "[ . 1 . 2]" 1
1020 1 39 HIS QB 1 39 HIS HE1 0.000 . 4.910 4.435 4.386 4.455 . 0 0 "[ . 1 . 2]" 1
1021 1 39 HIS QB 1 40 GLY H 0.000 . 6.280 3.607 1.797 3.967 . 0 0 "[ . 1 . 2]" 1
1022 1 39 HIS HB2 1 39 HIS HE1 0.000 . 5.000 5.079 5.055 5.096 0.096 18 0 "[ . 1 . 2]" 1
1023 1 39 HIS HB3 1 39 HIS HE1 0.000 . 5.000 4.892 4.785 4.941 . 0 0 "[ . 1 . 2]" 1
1024 1 40 GLY H 1 42 ASN QB 0.000 3.500 1000.000 7.391 6.498 7.863 . 0 0 "[ . 1 . 2]" 1
1025 1 41 PRO HA 1 42 ASN H 0.000 . 3.250 2.750 2.474 2.883 . 0 0 "[ . 1 . 2]" 1
1026 1 41 PRO QB 1 43 ILE H 0.000 . 3.830 2.183 1.915 2.398 . 0 0 "[ . 1 . 2]" 1
1027 1 41 PRO HB2 1 42 ASN H 0.000 . 3.760 2.253 2.001 2.558 . 0 0 "[ . 1 . 2]" 1
1028 1 41 PRO HB2 1 43 ILE H 0.000 . 4.050 2.195 1.923 2.415 . 0 0 "[ . 1 . 2]" 1
1029 1 41 PRO HB2 1 44 GLY H 0.000 3.500 1000.000 4.442 3.744 4.742 . 0 0 "[ . 1 . 2]" 1
1030 1 41 PRO HB2 1 45 TRP H 0.000 3.500 1000.000 6.806 5.156 7.436 . 0 0 "[ . 1 . 2]" 1
1031 1 41 PRO HB2 1 46 CYS H 0.000 3.500 1000.000 6.455 6.163 6.768 . 0 0 "[ . 1 . 2]" 1
1032 1 41 PRO HB3 1 42 ASN H 0.000 . 3.760 3.520 3.325 3.748 . 0 0 "[ . 1 . 2]" 1
1033 1 41 PRO HB3 1 43 ILE H 0.000 . 4.050 3.884 3.591 4.065 0.015 17 0 "[ . 1 . 2]" 1
1034 1 41 PRO HB3 1 44 GLY H 0.000 3.500 1000.000 5.811 5.353 6.076 . 0 0 "[ . 1 . 2]" 1
1035 1 41 PRO HB3 1 45 TRP H 0.000 3.500 1000.000 7.422 6.002 7.959 . 0 0 "[ . 1 . 2]" 1
1036 1 41 PRO HB3 1 46 CYS H 0.000 3.500 1000.000 5.880 5.528 6.441 . 0 0 "[ . 1 . 2]" 1
1037 1 41 PRO QD 1 46 CYS H 0.000 . 4.390 2.315 2.091 2.735 . 0 0 "[ . 1 . 2]" 1
1038 1 41 PRO QD 1 46 CYS QB 0.000 . 5.450 2.644 1.908 3.494 . 0 0 "[ . 1 . 2]" 1
1039 1 41 PRO HD2 1 46 CYS H 0.000 . 4.550 2.351 2.121 2.764 . 0 0 "[ . 1 . 2]" 1
1040 1 41 PRO HD2 1 46 CYS QB . . 6.690 2.932 2.068 3.840 . 0 0 "[ . 1 . 2]" 1
1041 1 41 PRO HD3 1 46 CYS H 0.000 . 4.550 3.490 3.117 4.347 . 0 0 "[ . 1 . 2]" 1
1042 1 41 PRO HD3 1 46 CYS QB . . 6.690 3.020 2.158 4.020 . 0 0 "[ . 1 . 2]" 1
1043 1 41 PRO QG 1 42 ASN H 0.000 . 5.750 3.676 3.419 4.092 . 0 0 "[ . 1 . 2]" 1
1044 1 41 PRO HG2 1 46 CYS H 0.000 . 4.730 4.570 4.401 4.760 0.030 12 0 "[ . 1 . 2]" 1
1045 1 41 PRO HG3 1 46 CYS H 0.000 . 4.730 4.772 4.728 4.813 0.083 20 0 "[ . 1 . 2]" 1
1046 1 42 ASN H 1 42 ASN QB 0.000 . 3.790 2.459 2.257 2.749 . 0 0 "[ . 1 . 2]" 1
1047 1 42 ASN H 1 43 ILE H 0.000 . 3.320 1.967 1.860 2.139 . 0 0 "[ . 1 . 2]" 1
1048 1 42 ASN H 1 43 ILE HA 0.000 . 4.210 4.460 4.431 4.531 0.321 12 0 "[ . 1 . 2]" 1
1049 1 42 ASN H 1 44 GLY H 0.000 3.500 1000.000 4.190 4.057 4.547 . 0 0 "[ . 1 . 2]" 1
1050 1 42 ASN H 1 46 CYS H 0.000 3.500 1000.000 7.531 7.074 8.348 . 0 0 "[ . 1 . 2]" 1
1051 1 42 ASN H 1 48 LYS HA 0.000 3.500 1000.000 15.642 15.195 16.311 . 0 0 "[ . 1 . 2]" 1
1052 1 42 ASN HA 1 43 ILE H 0.000 . 3.230 3.258 3.232 3.282 0.052 2 0 "[ . 1 . 2]" 1
1053 1 42 ASN HA 1 43 ILE HA 0.000 . 4.330 4.368 4.289 4.397 0.067 20 0 "[ . 1 . 2]" 1
1054 1 42 ASN HA 1 44 GLY H 0.000 3.500 1000.000 3.297 3.062 3.796 0.438 8 0 "[ . 1 . 2]" 1
1055 1 42 ASN QB 1 43 ILE HA 0.000 . 5.590 4.077 3.864 4.351 . 0 0 "[ . 1 . 2]" 1
1056 1 42 ASN QB 1 43 ILE QG 0.000 . 6.190 3.625 2.723 4.893 . 0 0 "[ . 1 . 2]" 1
1057 1 43 ILE H 1 43 ILE HB 0.000 . 3.680 3.070 2.608 3.698 0.018 2 0 "[ . 1 . 2]" 1
1058 1 43 ILE H 1 44 GLY H 0.000 . 2.700 2.723 2.576 2.759 0.059 6 0 "[ . 1 . 2]" 1
1059 1 43 ILE H 1 45 TRP H 0.000 3.500 1000.000 6.038 5.402 6.346 . 0 0 "[ . 1 . 2]" 1
1060 1 43 ILE HA 1 44 GLY H 0.000 . 2.640 2.698 2.657 2.762 0.122 11 0 "[ . 1 . 2]" 1
1061 1 43 ILE HB 1 44 GLY H 0.000 . 4.810 4.155 3.922 4.348 . 0 0 "[ . 1 . 2]" 1
1062 1 43 ILE QG 1 44 GLY H 0.000 . 5.740 4.069 3.452 4.677 . 0 0 "[ . 1 . 2]" 1
1063 1 43 ILE MG 1 44 GLY H 0.000 . 5.680 4.193 4.131 4.264 . 0 0 "[ . 1 . 2]" 1
1064 1 44 GLY H 1 45 TRP H 0.000 . 3.950 3.906 3.542 4.124 0.174 14 0 "[ . 1 . 2]" 1
1065 1 44 GLY H 1 46 CYS H 0.000 3.500 1000.000 6.576 6.295 7.272 . 0 0 "[ . 1 . 2]" 1
1066 1 44 GLY QA 1 45 TRP HD1 0.000 . 4.210 3.251 2.900 3.464 . 0 0 "[ . 1 . 2]" 1
1067 1 44 GLY HA2 1 45 TRP HD1 0.000 . 4.540 3.392 3.034 3.582 . 0 0 "[ . 1 . 2]" 1
1068 1 44 GLY HA2 1 46 CYS H 0.000 3.500 1000.000 6.412 6.079 7.107 . 0 0 "[ . 1 . 2]" 1
1069 1 44 GLY HA3 1 45 TRP HD1 0.000 . 4.540 4.314 3.253 4.607 0.067 9 0 "[ . 1 . 2]" 1
1070 1 44 GLY HA3 1 46 CYS H 0.000 3.500 1000.000 6.092 5.865 6.502 . 0 0 "[ . 1 . 2]" 1
1071 1 45 TRP H 1 45 TRP HD1 0.000 . 3.960 2.171 1.834 2.756 . 0 0 "[ . 1 . 2]" 1
1072 1 45 TRP QB 1 46 CYS H 0.000 . 4.350 3.088 2.259 3.295 . 0 0 "[ . 1 . 2]" 1
1073 1 45 TRP HB2 1 46 CYS H 0.000 . 4.890 3.837 2.781 4.150 . 0 0 "[ . 1 . 2]" 1
1074 1 45 TRP HB3 1 46 CYS H 0.000 . 4.890 3.257 2.391 3.483 . 0 0 "[ . 1 . 2]" 1
1075 1 46 CYS H 1 46 CYS QB . . 3.670 2.341 2.149 2.601 . 0 0 "[ . 1 . 2]" 1
1076 1 46 CYS H 1 47 CYS H 0.000 . 4.660 4.280 4.019 4.415 . 0 0 "[ . 1 . 2]" 1
1077 1 46 CYS HA 1 47 CYS H 0.000 . 2.690 1.982 1.884 2.062 . 0 0 "[ . 1 . 2]" 1
1078 1 46 CYS HA 1 47 CYS HA 0.000 . 4.500 4.330 4.287 4.407 . 0 0 "[ . 1 . 2]" 1
1079 1 46 CYS QB 1 47 CYS H 0.000 . 5.860 3.447 3.107 3.786 . 0 0 "[ . 1 . 2]" 1
1080 1 47 CYS H 1 47 CYS HB2 0.000 . 3.980 2.470 2.378 2.548 . 0 0 "[ . 1 . 2]" 1
1081 1 47 CYS H 1 47 CYS HB3 0.000 . 3.980 3.660 3.597 3.712 . 0 0 "[ . 1 . 2]" 1
1082 1 47 CYS HA 1 48 LYS H 0.000 . 2.710 2.625 2.449 2.710 . 0 0 "[ . 1 . 2]" 1
1083 1 47 CYS HA 1 48 LYS QB 0.000 . 5.410 3.838 3.504 4.031 . 0 0 "[ . 1 . 2]" 1
1084 1 47 CYS HA 1 48 LYS QD 0.000 . 5.730 3.674 2.965 5.160 . 0 0 "[ . 1 . 2]" 1
1085 1 47 CYS HA 1 48 LYS QG 0.000 . 6.040 5.210 5.021 5.506 . 0 0 "[ . 1 . 2]" 1
1086 1 47 CYS QB 1 48 LYS H 0.000 . 3.360 1.975 1.874 2.110 . 0 0 "[ . 1 . 2]" 1
1087 1 47 CYS QB 1 48 LYS HA 0.000 . 4.180 3.764 3.676 3.825 . 0 0 "[ . 1 . 2]" 1
1088 1 47 CYS QB 1 49 LYS H 0.000 3.500 1000.000 5.265 5.013 5.397 . 0 0 "[ . 1 . 2]" 1
1089 1 47 CYS HB2 1 48 LYS H 0.000 . 3.600 3.246 3.092 3.445 . 0 0 "[ . 1 . 2]" 1
1090 1 47 CYS HB2 1 48 LYS HA 0.000 . 4.360 4.375 4.333 4.398 0.038 14 0 "[ . 1 . 2]" 1
1091 1 47 CYS HB2 1 49 LYS H 0.000 3.500 1000.000 6.247 5.993 6.429 . 0 0 "[ . 1 . 2]" 1
1092 1 47 CYS HB3 1 48 LYS H 0.000 . 3.600 1.993 1.888 2.131 . 0 0 "[ . 1 . 2]" 1
1093 1 47 CYS HB3 1 48 LYS HA 0.000 . 4.360 4.108 3.948 4.233 . 0 0 "[ . 1 . 2]" 1
1094 1 47 CYS HB3 1 49 LYS H 0.000 3.500 1000.000 5.671 5.377 5.840 . 0 0 "[ . 1 . 2]" 1
1095 1 48 LYS H 1 48 LYS HB2 0.000 . 3.930 3.721 3.059 3.981 0.051 4 0 "[ . 1 . 2]" 1
1096 1 48 LYS H 1 48 LYS HB3 0.000 . 3.930 3.114 2.679 3.303 . 0 0 "[ . 1 . 2]" 1
1097 1 48 LYS H 1 48 LYS HD2 0.000 . 4.500 2.982 2.198 4.598 0.098 9 0 "[ . 1 . 2]" 1
1098 1 48 LYS H 1 48 LYS HD3 0.000 . 4.500 2.737 1.795 4.631 0.131 20 0 "[ . 1 . 2]" 1
1099 1 48 LYS H 1 48 LYS QG 0.000 . 4.950 3.714 3.457 4.249 . 0 0 "[ . 1 . 2]" 1
1100 1 48 LYS H 1 49 LYS H 0.000 . 4.260 4.209 4.151 4.276 0.016 14 0 "[ . 1 . 2]" 1
1101 1 48 LYS HA 1 48 LYS HD2 0.000 . 3.570 3.193 1.910 3.759 0.189 13 0 "[ . 1 . 2]" 1
1102 1 48 LYS HA 1 48 LYS QD 0.000 . 4.660 2.858 1.828 3.297 . 0 0 "[ . 1 . 2]" 1
1103 1 48 LYS HA 1 48 LYS HD3 0.000 . 3.570 3.261 2.245 3.681 0.111 6 0 "[ . 1 . 2]" 1
1104 1 48 LYS HA 1 48 LYS HG2 0.000 . 4.050 3.665 3.605 3.769 . 0 0 "[ . 1 . 2]" 1
1105 1 48 LYS HA 1 48 LYS HG3 0.000 . 4.050 3.815 3.042 4.124 0.074 6 0 "[ . 1 . 2]" 1
1106 1 48 LYS HA 1 49 LYS H 0.000 . 2.720 2.287 2.084 2.402 . 0 0 "[ . 1 . 2]" 1
1107 1 48 LYS HA 1 49 LYS HA 0.000 . 4.400 4.344 4.278 4.403 0.003 17 0 "[ . 1 . 2]" 1
1108 1 48 LYS QB 1 49 LYS H 0.000 . 4.830 2.563 2.075 3.469 . 0 0 "[ . 1 . 2]" 1
1109 1 48 LYS QD 1 49 LYS H 0.000 . 4.750 3.172 1.626 3.864 0.154 10 0 "[ . 1 . 2]" 1
1110 1 48 LYS HG2 1 49 LYS H 0.000 . 3.860 3.121 2.719 3.910 0.050 12 0 "[ . 1 . 2]" 1
1111 1 48 LYS HG3 1 49 LYS H 0.000 . 3.860 3.481 2.273 3.937 0.077 16 0 "[ . 1 . 2]" 1
1112 1 49 LYS H 1 49 LYS HB2 0.000 . 3.870 2.467 2.232 2.638 . 0 0 "[ . 1 . 2]" 1
1113 1 49 LYS H 1 49 LYS HB3 0.000 . 3.710 3.686 3.546 3.731 0.021 16 0 "[ . 1 . 2]" 1
1114 1 49 LYS H 1 49 LYS QG 0.000 . 4.590 2.703 2.119 3.129 . 0 0 "[ . 1 . 2]" 1
1115 1 49 LYS HA 1 49 LYS QG 0.000 . 3.850 2.333 2.193 2.598 . 0 0 "[ . 1 . 2]" 1
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