NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
644504 |
6qes   |
34348 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6qes
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 924
_Distance_constraint_stats_list.Viol_count 744
_Distance_constraint_stats_list.Viol_total 592.649
_Distance_constraint_stats_list.Viol_max 0.732
_Distance_constraint_stats_list.Viol_rms 0.0333
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.0797
_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 LEU 2.629 0.532 5 1 "[ + 1]"
1 2 PRO 3.701 0.216 4 0 "[ . 1]"
1 3 ARG 4.092 0.657 10 1 "[ . +]"
1 4 ASP 3.504 0.192 10 0 "[ . 1]"
1 5 THR 2.860 0.216 4 0 "[ . 1]"
1 6 SER 1.995 0.532 5 1 "[ + 1]"
1 7 ARG 0.716 0.142 1 0 "[ . 1]"
1 8 CYS 0.679 0.113 4 0 "[ . 1]"
1 9 VAL 3.056 0.203 8 0 "[ . 1]"
1 10 GLY 0.000 0.000 . 0 "[ . 1]"
1 11 TYR 1.922 0.126 1 0 "[ . 1]"
1 12 HIS 2.727 0.203 8 0 "[ . 1]"
1 13 GLY 0.690 0.092 2 0 "[ . 1]"
1 14 TYR 4.932 0.228 8 0 "[ . 1]"
1 15 CYS 0.174 0.071 1 0 "[ . 1]"
1 16 ILE 4.436 0.700 8 3 "[ - . *+ 1]"
1 17 ARG 3.372 0.155 9 0 "[ . 1]"
1 18 SER 2.349 0.700 8 3 "[ - . *+ 1]"
1 19 LYS 0.726 0.147 5 0 "[ . 1]"
1 20 VAL 0.186 0.046 6 0 "[ . 1]"
1 21 CYS 0.602 0.060 7 0 "[ . 1]"
1 22 PRO 1.442 0.127 9 0 "[ . 1]"
1 23 LYS 2.749 0.431 7 0 "[ . 1]"
1 24 PRO 3.091 0.431 7 0 "[ . 1]"
1 25 PHE 4.731 0.178 7 0 "[ . 1]"
1 26 ALA 1.401 0.128 6 0 "[ . 1]"
1 27 ALA 0.221 0.043 7 0 "[ . 1]"
1 28 PHE 2.621 0.126 1 0 "[ . 1]"
1 29 GLY 1.346 0.172 2 0 "[ . 1]"
1 30 THR 5.403 0.342 1 0 "[ . 1]"
1 31 CYS 2.875 0.228 1 0 "[ . 1]"
1 32 SER 3.929 0.209 9 0 "[ . 1]"
1 33 TRP 3.347 0.657 10 1 "[ . +]"
1 34 ARG 7.934 0.732 7 1 "[ . + 1]"
1 35 GLN 9.233 0.732 7 1 "[ . + 1]"
1 36 LYS 5.075 0.200 1 0 "[ . 1]"
1 37 THR 1.246 0.111 10 0 "[ . 1]"
1 38 CYS 0.170 0.113 4 0 "[ . 1]"
1 39 CYS 0.499 0.077 3 0 "[ . 1]"
1 40 VAL 5.512 0.203 9 0 "[ . 1]"
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 17 ARG HA 1 18 SER H 2.090 . 2.636 2.138 2.122 2.160 . 0 0 "[ . 1]" 1
2 1 2 PRO HA 1 33 TRP HZ2 2.376 . 3.082 2.657 2.545 2.856 . 0 0 "[ . 1]" 1
3 1 5 THR HA 1 6 SER H 2.255 . 2.891 2.832 2.778 2.891 . 0 0 "[ . 1]" 1
4 1 6 SER H 1 6 SER QB 2.187 . 2.785 2.567 2.460 2.674 . 0 0 "[ . 1]" 1
5 1 6 SER QB 1 7 ARG H 2.686 . 3.588 2.795 2.459 3.489 . 0 0 "[ . 1]" 1
6 1 10 GLY H 1 10 GLY QA 2.430 . 3.168 2.205 2.198 2.216 . 0 0 "[ . 1]" 1
7 1 33 TRP HB2 1 34 ARG H 2.418 . 3.149 2.555 1.802 2.745 . 0 0 "[ . 1]" 1
8 1 7 ARG QD 1 7 ARG HE 2.343 . 3.029 2.198 2.162 2.217 . 0 0 "[ . 1]" 1
9 1 8 CYS QB 1 9 VAL H 2.302 . 2.964 2.570 2.502 2.614 . 0 0 "[ . 1]" 1
10 1 8 CYS H 1 8 CYS QB 2.033 . 2.550 2.270 2.204 2.507 . 0 0 "[ . 1]" 1
11 1 21 CYS H 1 21 CYS QB 2.199 . 2.803 2.293 2.260 2.319 . 0 0 "[ . 1]" 1
12 1 7 ARG QB 1 8 CYS H 2.153 . 2.732 2.477 2.390 2.611 . 0 0 "[ . 1]" 1
13 1 7 ARG H 1 7 ARG QB 2.161 . 2.745 2.202 2.159 2.228 . 0 0 "[ . 1]" 1
14 1 23 LYS QB 1 25 PHE H 2.881 . 3.919 3.577 3.321 3.808 . 0 0 "[ . 1]" 1
15 1 23 LYS H 1 23 LYS QB 2.042 . 2.563 2.469 2.313 2.696 0.133 4 0 "[ . 1]" 1
16 1 23 LYS H 1 23 LYS QD 2.517 . 3.309 2.982 2.077 3.500 0.191 3 0 "[ . 1]" 1
17 1 23 LYS H 1 23 LYS QG 2.733 . 3.667 2.694 1.821 3.707 0.040 10 0 "[ . 1]" 1
18 1 26 ALA MB 1 28 PHE H 2.432 . 6.000 3.351 3.317 3.368 . 0 0 "[ . 1]" 1
19 1 5 THR MG 1 6 SER H 2.416 . 3.146 3.053 2.845 3.196 0.050 7 0 "[ . 1]" 1
20 1 1 LEU QD 1 6 SER H 2.364 . 3.063 2.783 1.919 3.074 0.011 10 0 "[ . 1]" 1
21 1 3 ARG HD3 1 34 ARG H 3.137 . 4.367 3.627 3.200 4.019 . 0 0 "[ . 1]" 1
22 1 10 GLY QA 1 11 TYR H 3.008 . 4.139 2.810 2.710 2.847 . 0 0 "[ . 1]" 1
23 1 3 ARG H 1 3 ARG HD2 3.281 . 4.627 4.569 3.827 4.688 0.061 4 0 "[ . 1]" 1
24 1 16 ILE H 1 31 CYS HB3 3.431 . 4.903 3.768 3.579 4.132 . 0 0 "[ . 1]" 1
25 1 2 PRO HD2 1 5 THR H 3.414 . 4.871 4.204 3.948 4.437 . 0 0 "[ . 1]" 1
26 1 2 PRO HD2 1 3 ARG H 3.343 . 4.740 3.644 3.465 3.827 . 0 0 "[ . 1]" 1
27 1 7 ARG QD 1 11 TYR QE 3.419 . 4.880 4.168 3.567 4.611 . 0 0 "[ . 1]" 1
28 1 21 CYS QB 1 25 PHE H 3.170 . 4.426 4.334 4.259 4.424 . 0 0 "[ . 1]" 1
29 1 21 CYS QB 1 26 ALA H 3.392 . 4.830 4.207 4.098 4.319 . 0 0 "[ . 1]" 1
30 1 21 CYS QB 1 25 PHE QD 3.296 . 4.654 4.267 4.158 4.377 . 0 0 "[ . 1]" 1
31 1 21 CYS QB 1 27 ALA H 2.942 . 4.024 3.515 3.315 3.777 . 0 0 "[ . 1]" 1
32 1 7 ARG QB 1 7 ARG HE 3.125 . 4.346 3.046 2.095 3.939 . 0 0 "[ . 1]" 1
33 1 7 ARG QB 1 11 TYR QE 3.367 . 4.784 4.605 4.439 4.840 0.056 2 0 "[ . 1]" 1
34 1 3 ARG QG 1 4 ASP H 3.308 . 4.676 2.068 1.840 2.837 0.100 10 0 "[ . 1]" 1
35 1 3 ARG HE 1 3 ARG QG 3.435 . 4.910 2.349 2.257 2.469 . 0 0 "[ . 1]" 1
36 1 2 PRO HG3 1 33 TRP HZ2 3.368 . 4.786 4.195 3.983 4.351 . 0 0 "[ . 1]" 1
37 1 1 LEU HB3 1 5 THR H 3.433 . 4.906 4.301 4.015 5.122 0.216 4 0 "[ . 1]" 1
38 1 36 LYS QG 1 37 THR H 3.346 . 4.745 4.489 4.240 4.679 . 0 0 "[ . 1]" 1
39 1 18 SER H 1 36 LYS QG 3.281 . 6.000 5.193 4.162 5.824 . 0 0 "[ . 1]" 1
40 1 33 TRP HD1 1 36 LYS QG 3.169 . 4.424 4.514 4.431 4.624 0.200 1 0 "[ . 1]" 1
41 1 24 PRO QG 1 25 PHE QE 3.430 . 4.900 4.643 4.440 4.741 . 0 0 "[ . 1]" 1
42 1 24 PRO QG 1 25 PHE H 3.329 . 4.715 4.730 4.685 4.871 0.156 7 0 "[ . 1]" 1
43 1 24 PRO QG 1 25 PHE QD 3.239 . 4.551 4.575 4.493 4.599 0.048 8 0 "[ . 1]" 1
44 1 6 SER H 1 9 VAL QG 3.032 . 4.181 3.475 3.372 3.577 . 0 0 "[ . 1]" 1
45 1 11 TYR QD 1 40 VAL MG1 2.910 . 3.969 3.380 3.295 3.448 . 0 0 "[ . 1]" 1
46 1 31 CYS H 1 37 THR HB 3.456 . 4.949 3.830 3.779 3.901 . 0 0 "[ . 1]" 1
47 1 32 SER HB3 1 33 TRP HE3 3.628 . 6.000 5.628 5.346 5.796 . 0 0 "[ . 1]" 1
48 1 17 ARG H 1 17 ARG QD 3.649 . 5.314 2.793 2.233 3.144 . 0 0 "[ . 1]" 1
49 1 7 ARG H 1 7 ARG QD 3.778 . 5.562 4.462 4.276 4.649 . 0 0 "[ . 1]" 1
50 1 7 ARG QD 1 28 PHE QD 3.959 . 5.919 4.380 3.876 4.843 . 0 0 "[ . 1]" 1
51 1 19 LYS H 1 19 LYS QE 4.267 . 6.543 4.620 3.809 5.472 . 0 0 "[ . 1]" 1
52 1 8 CYS QB 1 10 GLY H 3.788 . 5.581 4.442 4.390 4.546 . 0 0 "[ . 1]" 1
53 1 7 ARG H 1 8 CYS QB 3.634 . 5.285 4.446 4.270 4.805 . 0 0 "[ . 1]" 1
54 1 8 CYS QB 1 28 PHE HZ 4.013 . 6.026 6.069 6.040 6.094 0.068 2 0 "[ . 1]" 1
55 1 23 LYS H 1 23 LYS QE 3.887 . 5.776 4.389 4.024 5.074 . 0 0 "[ . 1]" 1
56 1 4 ASP HB2 1 6 SER H 3.732 . 5.473 4.996 4.804 5.133 . 0 0 "[ . 1]" 1
57 1 21 CYS QB 1 40 VAL H 3.952 . 5.905 4.724 4.539 4.902 . 0 0 "[ . 1]" 1
58 1 7 ARG QB 1 10 GLY H 3.827 . 5.658 4.965 4.799 5.075 . 0 0 "[ . 1]" 1
59 1 7 ARG QB 1 9 VAL H 3.815 . 5.634 4.741 4.661 4.844 . 0 0 "[ . 1]" 1
60 1 3 ARG H 1 3 ARG QG 3.720 . 5.450 3.010 2.525 4.182 . 0 0 "[ . 1]" 1
61 1 3 ARG QG 1 33 TRP HZ3 3.945 . 5.891 3.659 3.044 4.087 . 0 0 "[ . 1]" 1
62 1 17 ARG H 1 17 ARG QG 3.502 . 5.035 2.114 1.888 2.870 0.081 3 0 "[ . 1]" 1
63 1 19 LYS H 1 19 LYS QD 3.870 . 5.742 4.006 3.214 4.737 . 0 0 "[ . 1]" 1
64 1 23 LYS QG 1 25 PHE H 3.783 . 5.572 3.879 2.677 5.187 . 0 0 "[ . 1]" 1
65 1 16 ILE H 1 36 LYS QG 3.576 . 5.175 5.219 5.186 5.241 0.066 4 0 "[ . 1]" 1
66 1 35 GLN H 1 36 LYS QG 3.714 . 5.438 3.669 3.433 3.949 . 0 0 "[ . 1]" 1
67 1 17 ARG H 1 36 LYS QG 3.796 . 5.597 4.945 4.206 5.455 . 0 0 "[ . 1]" 1
68 1 1 LEU QD 1 7 ARG H 4.085 . 6.171 4.527 3.284 4.972 . 0 0 "[ . 1]" 1
69 1 2 PRO HB3 1 33 TRP HE3 3.568 . 5.159 3.818 3.711 4.117 . 0 0 "[ . 1]" 1
70 1 31 CYS H 1 37 THR H 3.648 . 5.312 3.971 3.923 4.009 . 0 0 "[ . 1]" 1
71 1 6 SER H 1 7 ARG H 2.058 . 2.587 2.348 2.266 2.417 . 0 0 "[ . 1]" 1
72 1 3 ARG H 1 6 SER H 1.592 . 6.000 4.068 3.755 4.316 . 0 0 "[ . 1]" 1
73 1 26 ALA MB 1 39 CYS HA 3.116 . 4.330 4.196 4.067 4.287 . 0 0 "[ . 1]" 1
74 1 23 LYS QD 1 25 PHE H 4.232 . 6.470 4.477 2.411 5.554 . 0 0 "[ . 1]" 1
75 1 36 LYS QD 1 37 THR H 4.174 . 6.351 4.818 4.170 5.531 . 0 0 "[ . 1]" 1
76 1 19 LYS QD 1 20 VAL H 4.649 . 7.350 5.236 4.605 5.876 . 0 0 "[ . 1]" 1
77 1 36 LYS H 1 36 LYS QG 2.987 . 4.102 2.337 2.176 2.456 . 0 0 "[ . 1]" 1
78 1 1 LEU QD 1 5 THR H 4.123 . 6.248 4.125 2.730 4.639 . 0 0 "[ . 1]" 1
79 1 14 TYR QE 1 21 CYS QB 4.424 . 6.871 5.753 5.445 6.004 . 0 0 "[ . 1]" 1
80 1 6 SER H 1 9 VAL HB 3.428 . 4.897 4.767 4.637 4.883 . 0 0 "[ . 1]" 1
81 1 7 ARG HE 1 7 ARG HG3 3.162 . 4.412 2.281 2.162 2.437 . 0 0 "[ . 1]" 1
82 1 36 LYS H 1 36 LYS QD 3.699 . 5.409 3.932 3.641 4.209 . 0 0 "[ . 1]" 1
83 1 11 TYR QD 1 40 VAL MG2 3.042 . 4.199 3.607 3.562 3.667 . 0 0 "[ . 1]" 1
84 1 8 CYS QB 1 28 PHE QE 4.346 . 6.707 4.525 4.406 4.813 . 0 0 "[ . 1]" 1
85 1 21 CYS QB 1 25 PHE QE 4.364 . 6.744 6.006 5.891 6.105 . 0 0 "[ . 1]" 1
86 1 11 TYR QD 1 13 GLY H 3.928 . 5.857 5.818 5.745 5.905 0.048 3 0 "[ . 1]" 1
87 1 21 CYS QB 1 39 CYS HA 3.698 . 5.408 3.554 3.364 3.750 . 0 0 "[ . 1]" 1
88 1 15 CYS HA 1 36 LYS QD 4.257 . 6.522 5.691 5.056 6.298 . 0 0 "[ . 1]" 1
89 1 15 CYS HA 1 36 LYS QG 3.904 . 6.000 5.824 5.399 6.071 0.071 1 0 "[ . 1]" 1
90 1 33 TRP HB2 1 35 GLN HA 3.985 . 5.970 4.243 4.159 4.295 . 0 0 "[ . 1]" 1
91 1 1 LEU HA 1 32 SER HB3 3.732 . 5.473 5.580 5.533 5.614 0.141 7 0 "[ . 1]" 1
92 1 17 ARG HA 1 17 ARG QD 3.244 . 4.560 3.938 3.847 4.193 . 0 0 "[ . 1]" 1
93 1 1 LEU HA 1 2 PRO HD2 2.384 . 3.095 2.263 2.127 2.357 . 0 0 "[ . 1]" 1
94 1 5 THR HA 1 8 CYS QB 2.687 . 3.590 2.978 2.672 3.639 0.049 4 0 "[ . 1]" 1
95 1 21 CYS QB 1 26 ALA HA 2.706 . 3.622 3.638 3.611 3.674 0.052 7 0 "[ . 1]" 1
96 1 23 LYS QB 1 24 PRO HA 2.384 . 3.094 2.167 2.039 2.267 . 0 0 "[ . 1]" 1
97 1 16 ILE HB 1 17 ARG HA 3.459 . 4.955 4.543 4.440 4.617 . 0 0 "[ . 1]" 1
98 1 23 LYS HA 1 23 LYS QB 2.286 . 2.939 2.316 2.166 2.447 . 0 0 "[ . 1]" 1
99 1 17 ARG HA 1 17 ARG QG 2.844 . 3.855 3.387 3.249 3.516 . 0 0 "[ . 1]" 1
100 1 23 LYS HA 1 23 LYS QD 3.013 . 4.148 3.345 1.980 4.196 0.048 5 0 "[ . 1]" 1
101 1 23 LYS QD 1 24 PRO HA 3.076 . 4.259 4.011 2.310 4.369 0.110 3 0 "[ . 1]" 1
102 1 23 LYS QG 1 24 PRO HA 3.344 . 4.742 3.281 2.530 4.256 . 0 0 "[ . 1]" 1
103 1 23 LYS HA 1 23 LYS QG 3.010 . 4.142 2.842 2.371 3.441 . 0 0 "[ . 1]" 1
104 1 17 ARG HA 1 36 LYS QG 3.051 . 4.215 3.559 2.330 4.270 0.055 2 0 "[ . 1]" 1
105 1 21 CYS QB 1 22 PRO HD2 3.310 . 4.680 2.795 2.569 2.969 . 0 0 "[ . 1]" 1
106 1 3 ARG HD3 1 4 ASP HB3 5.864 . 10.162 4.371 3.956 4.532 . 0 0 "[ . 1]" 1
107 1 8 CYS QB 1 15 CYS HB2 2.003 . 6.000 5.798 5.354 6.021 0.021 9 0 "[ . 1]" 1
108 1 21 CYS QB 1 25 PHE HB3 2.630 . 3.494 2.795 2.696 2.919 . 0 0 "[ . 1]" 1
109 1 8 CYS QB 1 38 CYS QB 3.639 . 5.294 2.239 1.871 2.397 0.113 4 0 "[ . 1]" 1
110 1 34 ARG HB2 1 34 ARG QD 3.090 . 4.284 2.769 2.443 2.950 . 0 0 "[ . 1]" 1
111 1 7 ARG HA 1 7 ARG QB 2.560 . 3.380 2.318 2.285 2.361 . 0 0 "[ . 1]" 1
112 1 4 ASP HA 1 7 ARG QB 2.302 . 2.964 2.618 2.386 2.965 0.001 10 0 "[ . 1]" 1
113 1 19 LYS HA 1 19 LYS QD 3.167 . 4.421 2.912 2.027 4.149 . 0 0 "[ . 1]" 1
114 1 3 ARG HD3 1 3 ARG QG 3.041 . 4.197 2.199 2.161 2.334 . 0 0 "[ . 1]" 1
115 1 16 ILE MD 1 17 ARG HA 3.654 . 5.323 4.173 4.117 4.215 . 0 0 "[ . 1]" 1
116 1 1 LEU QD 1 5 THR HB 3.510 . 5.050 2.315 2.119 2.635 . 0 0 "[ . 1]" 1
117 1 1 LEU HG 1 6 SER QB 3.997 . 5.994 5.003 2.615 5.989 . 0 0 "[ . 1]" 1
118 1 1 LEU HB2 1 6 SER QB 4.158 . 6.319 4.024 2.995 4.511 . 0 0 "[ . 1]" 1
119 1 32 SER HB3 1 36 LYS QG 3.464 . 4.964 3.882 3.666 4.177 . 0 0 "[ . 1]" 1
120 1 32 SER HB2 1 36 LYS QG 3.289 . 4.641 2.348 2.062 2.758 . 0 0 "[ . 1]" 1
121 1 1 LEU QD 1 6 SER HA 3.397 . 4.839 2.945 2.408 4.350 . 0 0 "[ . 1]" 1
122 1 1 LEU QD 1 6 SER QB 3.234 . 4.542 2.889 1.916 3.361 0.010 2 0 "[ . 1]" 1
123 1 34 ARG HB3 1 34 ARG QD 2.781 . 3.748 2.603 2.434 3.054 . 0 0 "[ . 1]" 1
124 1 8 CYS QB 1 9 VAL HB 4.391 . 6.801 4.150 3.916 4.833 . 0 0 "[ . 1]" 1
125 1 17 ARG HB3 1 17 ARG QD 3.102 . 4.305 3.141 2.185 3.388 . 0 0 "[ . 1]" 1
126 1 7 ARG QB 1 7 ARG QD 2.912 . 3.972 2.215 2.081 2.338 . 0 0 "[ . 1]" 1
127 1 23 LYS QB 1 24 PRO HD3 2.510 . 6.000 3.982 3.855 4.131 . 0 0 "[ . 1]" 1
128 1 17 ARG HB2 1 17 ARG QD 2.499 . 3.280 2.520 2.265 3.328 0.048 9 0 "[ . 1]" 1
129 1 34 ARG QD 1 34 ARG HG3 2.498 . 3.278 2.296 2.171 2.368 . 0 0 "[ . 1]" 1
130 1 23 LYS QB 1 24 PRO HD2 2.558 . 6.000 4.697 4.605 4.810 . 0 0 "[ . 1]" 1
131 1 23 LYS QB 1 23 LYS QE 3.288 . 4.639 3.516 1.932 3.863 0.005 4 0 "[ . 1]" 1
132 1 34 ARG QD 1 34 ARG HG2 2.561 . 3.381 2.221 2.170 2.362 . 0 0 "[ . 1]" 1
133 1 19 LYS QE 1 19 LYS HG2 3.521 . 5.071 2.911 2.355 3.319 . 0 0 "[ . 1]" 1
134 1 23 LYS QE 1 23 LYS QG 3.275 . 4.616 2.281 2.126 2.360 . 0 0 "[ . 1]" 1
135 1 19 LYS QE 1 19 LYS HG3 3.556 . 5.137 2.908 2.456 3.527 . 0 0 "[ . 1]" 1
136 1 26 ALA MB 1 28 PHE HB3 3.729 . 5.467 4.677 4.624 4.769 . 0 0 "[ . 1]" 1
137 1 23 LYS QG 1 24 PRO HD2 3.680 . 6.000 5.668 4.784 6.431 0.431 7 0 "[ . 1]" 1
138 1 36 LYS HE2 1 36 LYS QG 2.738 . 3.675 2.793 2.490 3.412 . 0 0 "[ . 1]" 1
139 1 36 LYS HE3 1 36 LYS QG 2.825 . 3.822 2.926 2.349 3.446 . 0 0 "[ . 1]" 1
140 1 31 CYS HB3 1 36 LYS QG 3.309 . 4.678 3.888 3.603 4.363 . 0 0 "[ . 1]" 1
141 1 31 CYS HB2 1 36 LYS QG 3.179 . 4.443 4.370 4.137 4.512 0.069 6 0 "[ . 1]" 1
142 1 30 THR MG 1 34 ARG QD 2.792 . 6.000 5.075 4.841 5.301 . 0 0 "[ . 1]" 1
143 1 24 PRO HD3 1 24 PRO QG 3.034 . 4.184 2.191 2.185 2.197 . 0 0 "[ . 1]" 1
144 1 1 LEU QD 1 2 PRO HD2 3.507 . 5.044 2.882 2.205 3.317 . 0 0 "[ . 1]" 1
145 1 8 CYS QB 1 9 VAL QG 2.979 . 4.088 3.667 2.886 3.937 . 0 0 "[ . 1]" 1
146 1 23 LYS QB 1 24 PRO HB3 2.379 . 3.087 3.148 3.117 3.190 0.103 4 0 "[ . 1]" 1
147 1 15 CYS HB3 1 36 LYS QD 3.364 . 4.778 3.843 2.798 4.784 0.006 8 0 "[ . 1]" 1
148 1 21 CYS QB 1 27 ALA MB 3.133 . 4.360 3.126 2.903 3.463 . 0 0 "[ . 1]" 1
149 1 15 CYS HB3 1 36 LYS QG 3.052 . 4.217 3.699 3.333 4.045 . 0 0 "[ . 1]" 1
150 1 21 CYS QB 1 37 THR MG 3.668 . 5.350 4.333 4.227 4.507 . 0 0 "[ . 1]" 1
151 1 35 GLN HB3 1 36 LYS QG 3.550 . 5.125 3.529 3.288 3.663 . 0 0 "[ . 1]" 1
152 1 20 VAL MG1 1 21 CYS QB 3.719 . 5.448 4.376 4.182 4.592 . 0 0 "[ . 1]" 1
153 1 20 VAL MG2 1 21 CYS QB 3.868 . 5.738 5.160 5.092 5.220 . 0 0 "[ . 1]" 1
154 1 16 ILE MD 1 21 CYS QB 3.439 . 4.917 3.626 3.462 3.816 . 0 0 "[ . 1]" 1
155 1 17 ARG HB3 1 17 ARG QG 2.539 . 3.345 2.214 2.155 2.418 . 0 0 "[ . 1]" 1
156 1 3 ARG HB3 1 3 ARG QG 2.411 . 3.137 2.291 2.129 2.443 . 0 0 "[ . 1]" 1
157 1 3 ARG HB2 1 3 ARG QG 2.168 . 2.756 2.379 2.215 2.522 . 0 0 "[ . 1]" 1
158 1 35 GLN HB2 1 36 LYS QG 3.533 . 5.093 2.462 2.240 2.665 . 0 0 "[ . 1]" 1
159 1 36 LYS HB3 1 36 LYS QG 2.440 . 3.184 2.410 2.363 2.446 . 0 0 "[ . 1]" 1
160 1 2 PRO HG3 1 36 LYS QG 2.460 . 6.000 5.984 5.731 6.112 0.112 6 0 "[ . 1]" 1
161 1 23 LYS QB 1 23 LYS QG 2.311 . 2.979 2.032 1.978 2.080 . 0 0 "[ . 1]" 1
162 1 36 LYS QD 1 36 LYS QG 2.070 . 2.606 2.017 2.010 2.025 . 0 0 "[ . 1]" 1
163 1 36 LYS HB2 1 36 LYS QD 2.601 . 3.447 2.961 2.349 3.440 . 0 0 "[ . 1]" 1
164 1 23 LYS QB 1 24 PRO QG 2.158 . 6.000 4.341 4.047 4.439 . 0 0 "[ . 1]" 1
165 1 1 LEU HB2 1 1 LEU QD 2.815 . 3.806 2.190 2.108 2.312 . 0 0 "[ . 1]" 1
166 1 2 PRO HB3 1 36 LYS QG 3.465 . 6.000 5.851 5.645 6.012 0.012 3 0 "[ . 1]" 1
167 1 1 LEU QD 1 5 THR MG 2.841 . 3.850 2.455 1.911 3.890 0.040 5 0 "[ . 1]" 1
168 1 36 LYS HB2 1 36 LYS QG 2.066 . 2.600 2.224 2.139 2.327 . 0 0 "[ . 1]" 1
169 1 4 ASP H 1 7 ARG QD 4.194 . 6.392 5.939 5.520 6.468 0.076 10 0 "[ . 1]" 1
170 1 19 LYS QE 1 30 THR H 4.915 . 7.935 7.712 7.244 8.008 0.073 3 0 "[ . 1]" 1
171 1 10 GLY QA 1 12 HIS HE1 4.740 . 7.548 7.226 6.874 7.460 . 0 0 "[ . 1]" 1
172 1 8 CYS QB 1 11 TYR H 4.542 . 7.121 4.966 4.548 5.117 . 0 0 "[ . 1]" 1
173 1 15 CYS HA 1 16 ILE H 2.034 . 2.551 2.193 2.156 2.217 . 0 0 "[ . 1]" 1
174 1 15 CYS H 1 15 CYS HA 2.883 . 3.922 2.941 2.931 2.949 . 0 0 "[ . 1]" 1
175 1 39 CYS HA 1 40 VAL H 2.116 . 2.676 2.120 2.110 2.135 . 0 0 "[ . 1]" 1
176 1 30 THR HA 1 31 CYS H 2.134 . 2.703 2.199 2.088 2.270 . 0 0 "[ . 1]" 1
177 1 38 CYS HA 1 39 CYS H 2.339 . 3.023 2.168 2.149 2.199 . 0 0 "[ . 1]" 1
178 1 16 ILE HA 1 17 ARG H 2.449 . 3.199 2.246 2.204 2.268 . 0 0 "[ . 1]" 1
179 1 27 ALA HA 1 28 PHE H 2.797 . 3.775 2.198 2.133 2.214 . 0 0 "[ . 1]" 1
180 1 13 GLY HA2 1 14 TYR H 2.631 . 3.496 3.088 3.035 3.140 . 0 0 "[ . 1]" 1
181 1 13 GLY H 1 13 GLY HA2 2.852 . 3.869 2.733 2.691 2.777 . 0 0 "[ . 1]" 1
182 1 26 ALA HA 1 27 ALA H 1.996 . 2.494 2.227 2.188 2.255 . 0 0 "[ . 1]" 1
183 1 28 PHE H 1 28 PHE HA 2.775 . 3.738 2.896 2.880 2.927 . 0 0 "[ . 1]" 1
184 1 25 PHE H 1 25 PHE HA 2.777 . 3.741 2.885 2.879 2.890 . 0 0 "[ . 1]" 1
185 1 25 PHE HA 1 26 ALA H 2.142 . 2.716 2.323 2.279 2.360 . 0 0 "[ . 1]" 1
186 1 28 PHE HA 1 29 GLY H 2.331 . 3.010 2.259 2.232 2.292 . 0 0 "[ . 1]" 1
187 1 28 PHE HA 1 28 PHE QD 2.657 . 3.540 3.178 3.159 3.202 . 0 0 "[ . 1]" 1
188 1 11 TYR H 1 11 TYR HA 2.631 . 3.496 2.908 2.878 2.924 . 0 0 "[ . 1]" 1
189 1 11 TYR HA 1 11 TYR QD 2.359 . 3.055 3.028 2.910 3.110 0.055 6 0 "[ . 1]" 1
190 1 40 VAL H 1 40 VAL HA 2.823 . 3.819 2.929 2.924 2.934 . 0 0 "[ . 1]" 1
191 1 25 PHE QE 1 40 VAL HA 2.419 . 3.150 2.626 2.527 2.777 . 0 0 "[ . 1]" 1
192 1 24 PRO HA 1 25 PHE H 2.535 . 3.338 2.175 2.150 2.198 . 0 0 "[ . 1]" 1
193 1 22 PRO HA 1 23 LYS H 1.863 . 2.297 2.274 2.237 2.316 0.019 10 0 "[ . 1]" 1
194 1 30 THR HB 1 31 CYS H 2.309 . 2.975 2.671 2.508 3.018 0.043 1 0 "[ . 1]" 1
195 1 17 ARG H 1 17 ARG HA 2.583 . 3.417 2.900 2.888 2.907 . 0 0 "[ . 1]" 1
196 1 18 SER HA 1 19 LYS H 2.087 . 2.631 2.430 2.317 2.581 . 0 0 "[ . 1]" 1
197 1 23 LYS HA 1 25 PHE H 2.071 . 2.607 1.911 1.841 2.033 . 0 0 "[ . 1]" 1
198 1 23 LYS H 1 23 LYS HA 2.388 . 3.101 2.890 2.850 2.918 . 0 0 "[ . 1]" 1
199 1 12 HIS HA 1 13 GLY H 2.570 . 3.395 2.205 2.179 2.234 . 0 0 "[ . 1]" 1
200 1 31 CYS HA 1 32 SER H 2.219 . 2.834 2.849 2.821 2.863 0.029 8 0 "[ . 1]" 1
201 1 35 GLN H 1 35 GLN HA 2.493 . 3.270 2.930 2.915 2.936 . 0 0 "[ . 1]" 1
202 1 20 VAL HA 1 21 CYS H 1.866 . 2.301 2.155 2.133 2.175 . 0 0 "[ . 1]" 1
203 1 4 ASP H 1 4 ASP HA 2.520 . 3.314 2.932 2.895 2.947 . 0 0 "[ . 1]" 1
204 1 4 ASP HA 1 7 ARG H 2.838 . 3.845 3.234 3.031 3.424 . 0 0 "[ . 1]" 1
205 1 20 VAL H 1 20 VAL HA 2.579 . 3.410 2.946 2.939 2.951 . 0 0 "[ . 1]" 1
206 1 19 LYS H 1 19 LYS HA 2.493 . 3.270 2.933 2.913 2.945 . 0 0 "[ . 1]" 1
207 1 37 THR H 1 37 THR HA 2.859 . 3.881 2.936 2.929 2.939 . 0 0 "[ . 1]" 1
208 1 37 THR HA 1 38 CYS H 2.148 . 2.725 2.275 2.250 2.302 . 0 0 "[ . 1]" 1
209 1 33 TRP HA 1 34 ARG H 2.528 . 3.327 2.665 2.468 3.304 . 0 0 "[ . 1]" 1
210 1 33 TRP HA 1 33 TRP HE3 2.386 . 3.098 2.118 2.031 2.381 . 0 0 "[ . 1]" 1
211 1 33 TRP HA 1 33 TRP HD1 2.843 . 6.000 4.672 4.633 4.722 . 0 0 "[ . 1]" 1
212 1 5 THR HB 1 6 SER H 2.131 . 2.699 2.278 2.089 2.432 . 0 0 "[ . 1]" 1
213 1 5 THR H 1 5 THR HB 2.528 . 3.327 2.805 2.706 2.887 . 0 0 "[ . 1]" 1
214 1 2 PRO HA 1 3 ARG H 2.551 . 6.000 3.538 3.523 3.547 . 0 0 "[ . 1]" 1
215 1 7 ARG H 1 7 ARG HA 2.590 . 3.429 2.816 2.790 2.841 . 0 0 "[ . 1]" 1
216 1 37 THR H 1 37 THR HB 2.401 . 3.122 2.576 2.541 2.610 . 0 0 "[ . 1]" 1
217 1 5 THR H 1 5 THR HA 2.656 . 3.538 2.744 2.714 2.779 . 0 0 "[ . 1]" 1
218 1 9 VAL H 1 9 VAL HA 2.756 . 3.706 2.879 2.862 2.892 . 0 0 "[ . 1]" 1
219 1 9 VAL HA 1 13 GLY H 2.872 . 3.903 3.812 3.183 3.978 0.075 7 0 "[ . 1]" 1
220 1 34 ARG HA 1 35 GLN H 2.807 . 3.792 2.919 2.872 3.041 . 0 0 "[ . 1]" 1
221 1 33 TRP HB2 1 33 TRP HD1 2.595 . 3.437 2.560 2.549 2.573 . 0 0 "[ . 1]" 1
222 1 33 TRP HB2 1 33 TRP HE3 2.805 . 6.000 4.219 4.200 4.231 . 0 0 "[ . 1]" 1
223 1 13 GLY HA3 1 14 TYR H 2.548 . 3.359 2.186 2.154 2.215 . 0 0 "[ . 1]" 1
224 1 13 GLY H 1 13 GLY HA3 2.481 . 3.250 2.872 2.848 2.906 . 0 0 "[ . 1]" 1
225 1 32 SER H 1 32 SER HB3 2.312 . 6.000 3.497 3.468 3.536 . 0 0 "[ . 1]" 1
226 1 11 TYR H 1 11 TYR HB3 2.634 . 6.000 3.622 3.606 3.650 . 0 0 "[ . 1]" 1
227 1 11 TYR HB3 1 11 TYR QD 2.601 . 3.447 2.355 2.312 2.414 . 0 0 "[ . 1]" 1
228 1 3 ARG HD2 1 3 ARG HE 2.718 . 3.641 2.779 2.407 2.953 . 0 0 "[ . 1]" 1
229 1 33 TRP HB3 1 33 TRP HE3 2.659 . 3.543 3.030 2.869 3.126 . 0 0 "[ . 1]" 1
230 1 33 TRP HB3 1 33 TRP HD1 2.504 . 6.000 3.581 3.534 3.673 . 0 0 "[ . 1]" 1
231 1 25 PHE H 1 25 PHE HB2 2.297 . 2.957 2.863 2.842 2.882 . 0 0 "[ . 1]" 1
232 1 25 PHE HB2 1 26 ALA H 2.813 . 3.802 3.878 3.857 3.930 0.128 6 0 "[ . 1]" 1
233 1 31 CYS HB3 1 32 SER H 2.376 . 3.081 1.774 1.648 1.906 0.023 1 0 "[ . 1]" 1
234 1 31 CYS H 1 31 CYS HB2 3.187 . 4.456 2.336 2.192 2.438 . 0 0 "[ . 1]" 1
235 1 25 PHE H 1 25 PHE HB3 2.674 . 6.000 3.848 3.821 3.868 . 0 0 "[ . 1]" 1
236 1 25 PHE HB3 1 25 PHE QD 2.563 . 3.384 2.418 2.350 2.458 . 0 0 "[ . 1]" 1
237 1 25 PHE HB3 1 26 ALA H 2.380 . 3.088 2.589 2.520 2.686 . 0 0 "[ . 1]" 1
238 1 28 PHE H 1 28 PHE HB3 2.632 . 3.498 2.488 2.433 2.549 . 0 0 "[ . 1]" 1
239 1 28 PHE HB3 1 28 PHE QD 2.355 . 3.048 2.529 2.504 2.579 . 0 0 "[ . 1]" 1
240 1 15 CYS H 1 15 CYS HB2 2.441 . 3.186 2.517 2.481 2.538 . 0 0 "[ . 1]" 1
241 1 11 TYR H 1 11 TYR HB2 2.276 . 2.923 2.408 2.379 2.437 . 0 0 "[ . 1]" 1
242 1 11 TYR HB2 1 11 TYR QD 2.583 . 3.417 2.444 2.388 2.494 . 0 0 "[ . 1]" 1
243 1 14 TYR HB3 1 14 TYR QD 2.277 . 2.925 2.531 2.470 2.603 . 0 0 "[ . 1]" 1
244 1 24 PRO HD2 1 25 PHE QE 2.841 . 3.850 3.548 2.716 3.749 . 0 0 "[ . 1]" 1
245 1 14 TYR H 1 14 TYR HB2 2.824 . 3.821 4.032 4.016 4.049 0.228 8 0 "[ . 1]" 1
246 1 14 TYR HB2 1 15 CYS H 2.634 . 3.501 2.097 2.024 2.157 . 0 0 "[ . 1]" 1
247 1 14 TYR HB2 1 14 TYR QD 2.277 . 2.925 2.306 2.282 2.341 . 0 0 "[ . 1]" 1
248 1 35 GLN H 1 35 GLN HG2 2.495 . 3.273 2.377 2.274 2.498 . 0 0 "[ . 1]" 1
249 1 28 PHE H 1 28 PHE HB2 2.691 . 3.596 2.626 2.569 2.715 . 0 0 "[ . 1]" 1
250 1 28 PHE HB2 1 28 PHE QD 2.452 . 3.204 2.282 2.256 2.294 . 0 0 "[ . 1]" 1
251 1 4 ASP H 1 4 ASP HB3 2.625 . 3.486 3.628 3.543 3.678 0.192 10 0 "[ . 1]" 1
252 1 15 CYS HB3 1 16 ILE H 2.823 . 3.819 3.239 3.119 3.466 . 0 0 "[ . 1]" 1
253 1 15 CYS H 1 15 CYS HB3 2.770 . 3.729 3.682 3.655 3.713 . 0 0 "[ . 1]" 1
254 1 35 GLN H 1 35 GLN HG3 2.649 . 3.526 3.676 3.615 3.710 0.184 8 0 "[ . 1]" 1
255 1 38 CYS H 1 38 CYS QB 2.671 . 3.403 2.293 2.237 2.459 . 0 0 "[ . 1]" 1
256 1 35 GLN H 1 35 GLN HB3 2.631 . 6.000 3.654 3.621 3.672 . 0 0 "[ . 1]" 1
257 1 22 PRO HB3 1 23 LYS H 2.818 . 3.811 3.642 3.535 3.720 . 0 0 "[ . 1]" 1
258 1 22 PRO HG2 1 25 PHE QD 2.729 . 3.660 3.270 3.117 3.440 . 0 0 "[ . 1]" 1
259 1 35 GLN H 1 35 GLN HB2 2.327 . 3.004 2.545 2.446 2.598 . 0 0 "[ . 1]" 1
260 1 9 VAL H 1 9 VAL HB 2.164 . 2.749 2.624 2.573 2.694 . 0 0 "[ . 1]" 1
261 1 9 VAL HB 1 10 GLY H 2.518 . 6.000 3.948 2.993 4.249 . 0 0 "[ . 1]" 1
262 1 22 PRO HB2 1 23 LYS H 2.689 . 3.593 3.032 2.872 3.150 . 0 0 "[ . 1]" 1
263 1 17 ARG H 1 17 ARG HB3 2.675 . 3.570 3.176 2.802 3.393 . 0 0 "[ . 1]" 1
264 1 3 ARG H 1 3 ARG HB3 2.892 . 3.937 3.421 2.999 3.599 . 0 0 "[ . 1]" 1
265 1 40 VAL H 1 40 VAL HB 2.632 . 6.000 3.804 3.784 3.828 . 0 0 "[ . 1]" 1
266 1 16 ILE H 1 16 ILE HB 2.816 . 3.807 3.847 3.791 3.887 0.080 4 0 "[ . 1]" 1
267 1 16 ILE HB 1 17 ARG H 2.419 . 3.150 2.824 2.634 2.908 . 0 0 "[ . 1]" 1
268 1 20 VAL HB 1 21 CYS H 2.664 . 6.000 4.328 4.230 4.389 . 0 0 "[ . 1]" 1
269 1 19 LYS H 1 19 LYS HB3 2.599 . 6.000 3.709 3.658 3.803 . 0 0 "[ . 1]" 1
270 1 20 VAL H 1 20 VAL HB 2.300 . 2.961 2.669 2.608 2.750 . 0 0 "[ . 1]" 1
271 1 16 ILE HB 1 18 SER H 2.592 . 6.000 4.407 4.297 4.582 . 0 0 "[ . 1]" 1
272 1 3 ARG HB3 1 4 ASP H 2.843 . 3.853 3.535 1.887 3.960 0.107 8 0 "[ . 1]" 1
273 1 39 CYS H 1 39 CYS HB2 2.563 . 3.384 2.604 2.553 2.631 . 0 0 "[ . 1]" 1
274 1 36 LYS HB3 1 37 THR H 2.422 . 3.155 3.048 2.841 3.156 0.001 9 0 "[ . 1]" 1
275 1 3 ARG HB2 1 4 ASP H 2.582 . 6.000 3.562 3.405 3.752 . 0 0 "[ . 1]" 1
276 1 3 ARG H 1 3 ARG HB2 2.846 . 6.000 3.897 3.432 4.036 . 0 0 "[ . 1]" 1
277 1 3 ARG HB2 1 3 ARG HE 2.851 . 3.867 2.951 2.494 3.949 0.082 9 0 "[ . 1]" 1
278 1 19 LYS H 1 19 LYS HB2 2.293 . 2.950 2.585 2.530 2.678 . 0 0 "[ . 1]" 1
279 1 17 ARG H 1 17 ARG HB2 2.325 . 6.000 3.524 3.420 3.679 . 0 0 "[ . 1]" 1
280 1 17 ARG HB2 1 18 SER H 2.792 . 6.000 4.085 4.036 4.112 . 0 0 "[ . 1]" 1
281 1 1 LEU HB3 1 6 SER H 2.839 . 3.846 3.651 3.271 4.378 0.532 5 1 "[ + 1]" 1
282 1 16 ILE H 1 16 ILE HG13 2.687 . 3.590 3.319 3.156 3.466 . 0 0 "[ . 1]" 1
283 1 16 ILE HG13 1 18 SER H 2.692 . 3.598 2.522 2.455 2.580 . 0 0 "[ . 1]" 1
284 1 2 PRO HG2 1 32 SER H 2.825 . 3.822 3.940 3.867 4.031 0.209 9 0 "[ . 1]" 1
285 1 2 PRO HG2 1 5 THR H 2.576 . 6.000 4.314 4.123 4.580 . 0 0 "[ . 1]" 1
286 1 19 LYS H 1 19 LYS HG2 2.804 . 3.786 2.857 2.430 3.805 0.019 3 0 "[ . 1]" 1
287 1 19 LYS H 1 19 LYS HG3 2.798 . 3.776 3.600 2.963 3.923 0.147 5 0 "[ . 1]" 1
288 1 21 CYS H 1 27 ALA MB 2.842 . 3.851 3.274 3.067 3.461 . 0 0 "[ . 1]" 1
289 1 27 ALA H 1 27 ALA MB 1.859 . 2.291 2.252 2.246 2.259 . 0 0 "[ . 1]" 1
290 1 26 ALA H 1 26 ALA MB 2.237 . 2.863 2.414 2.378 2.442 . 0 0 "[ . 1]" 1
291 1 36 LYS HB2 1 37 THR H 2.811 . 3.799 3.784 3.688 3.878 0.079 3 0 "[ . 1]" 1
292 1 36 LYS H 1 36 LYS HB2 2.644 . 3.518 2.787 2.671 2.854 . 0 0 "[ . 1]" 1
293 1 28 PHE H 1 37 THR MG 2.875 . 3.908 3.102 2.890 3.252 . 0 0 "[ . 1]" 1
294 1 37 THR MG 1 38 CYS H 2.332 . 3.012 2.320 2.234 2.419 . 0 0 "[ . 1]" 1
295 1 16 ILE H 1 16 ILE HG12 2.455 . 3.208 2.414 2.263 2.616 . 0 0 "[ . 1]" 1
296 1 9 VAL H 1 9 VAL QG 2.062 . 2.594 2.010 1.886 2.053 . 0 0 "[ . 1]" 1
297 1 9 VAL QG 1 10 GLY H 2.716 . 3.638 2.795 2.560 3.418 . 0 0 "[ . 1]" 1
298 1 20 VAL MG1 1 21 CYS H 2.461 . 3.218 3.041 2.827 3.234 0.016 2 0 "[ . 1]" 1
299 1 25 PHE QE 1 40 VAL MG1 2.744 . 3.685 3.825 3.805 3.863 0.178 7 0 "[ . 1]" 1
300 1 28 PHE QD 1 40 VAL MG1 2.789 . 6.000 4.161 4.131 4.200 . 0 0 "[ . 1]" 1
301 1 16 ILE H 1 16 ILE MG 2.516 . 3.307 2.611 2.423 2.741 . 0 0 "[ . 1]" 1
302 1 16 ILE MG 1 17 ARG H 2.817 . 6.000 3.985 3.833 4.083 . 0 0 "[ . 1]" 1
303 1 16 ILE MG 1 18 SER H 2.831 . 6.000 5.181 5.130 5.210 . 0 0 "[ . 1]" 1
304 1 14 TYR QD 1 16 ILE MG 2.410 . 3.136 2.556 2.352 2.792 . 0 0 "[ . 1]" 1
305 1 14 TYR QE 1 16 ILE MG 2.328 . 3.005 1.982 1.909 2.073 . 0 0 "[ . 1]" 1
306 1 40 VAL H 1 40 VAL MG2 2.397 . 3.115 2.208 2.177 2.241 . 0 0 "[ . 1]" 1
307 1 20 VAL H 1 20 VAL MG2 2.407 . 3.131 2.698 2.559 2.811 . 0 0 "[ . 1]" 1
308 1 28 PHE QD 1 40 VAL MG2 2.730 . 3.662 2.331 2.251 2.360 . 0 0 "[ . 1]" 1
309 1 16 ILE MD 1 18 SER H 2.775 . 3.738 3.777 3.739 3.808 0.070 6 0 "[ . 1]" 1
310 1 15 CYS HA 1 39 CYS H 3.419 . 4.880 3.244 2.983 3.442 . 0 0 "[ . 1]" 1
311 1 39 CYS H 1 39 CYS HA 2.986 . 4.100 2.943 2.939 2.945 . 0 0 "[ . 1]" 1
312 1 26 ALA H 1 39 CYS HA 3.237 . 4.547 3.691 3.622 3.809 . 0 0 "[ . 1]" 1
313 1 14 TYR HA 1 15 CYS H 2.894 . 3.941 2.501 2.442 2.577 . 0 0 "[ . 1]" 1
314 1 21 CYS H 1 21 CYS HA 2.953 . 4.043 2.890 2.870 2.912 . 0 0 "[ . 1]" 1
315 1 25 PHE HA 1 25 PHE QE 3.588 . 5.197 4.522 4.477 4.583 . 0 0 "[ . 1]" 1
316 1 11 TYR HA 1 12 HIS H 2.931 . 4.005 3.345 3.291 3.424 . 0 0 "[ . 1]" 1
317 1 11 TYR HA 1 12 HIS HD2 3.043 . 4.200 3.572 3.189 3.998 . 0 0 "[ . 1]" 1
318 1 14 TYR H 1 40 VAL HA 3.310 . 4.679 3.954 3.807 4.108 . 0 0 "[ . 1]" 1
319 1 30 THR HB 1 34 ARG H 3.091 . 6.000 5.035 4.763 5.304 . 0 0 "[ . 1]" 1
320 1 30 THR HB 1 36 LYS H 3.305 . 4.671 4.680 4.523 4.745 0.074 6 0 "[ . 1]" 1
321 1 17 ARG HA 1 37 THR H 3.222 . 4.520 3.534 3.314 3.843 . 0 0 "[ . 1]" 1
322 1 18 SER HA 1 20 VAL H 3.103 . 4.307 3.900 3.698 4.195 . 0 0 "[ . 1]" 1
323 1 12 HIS HA 1 12 HIS HD2 3.114 . 6.000 4.407 4.279 4.601 . 0 0 "[ . 1]" 1
324 1 8 CYS HA 1 9 VAL H 2.956 . 4.048 3.548 3.541 3.570 . 0 0 "[ . 1]" 1
325 1 8 CYS HA 1 11 TYR H 3.132 . 4.358 3.690 3.496 3.845 . 0 0 "[ . 1]" 1
326 1 8 CYS HA 1 11 TYR QD 2.982 . 4.093 2.636 2.090 3.076 . 0 0 "[ . 1]" 1
327 1 5 THR H 1 31 CYS HA 3.036 . 4.188 3.994 3.913 4.143 . 0 0 "[ . 1]" 1
328 1 32 SER HA 1 35 GLN H 3.203 . 6.000 5.828 5.213 6.022 0.022 9 0 "[ . 1]" 1
329 1 18 SER HB3 1 19 LYS H 3.048 . 4.209 3.288 2.181 3.902 . 0 0 "[ . 1]" 1
330 1 18 SER HB3 1 20 VAL H 3.366 . 4.782 2.841 2.236 3.243 . 0 0 "[ . 1]" 1
331 1 2 PRO HA 1 33 TRP HE1 3.030 . 4.178 3.629 3.537 3.675 . 0 0 "[ . 1]" 1
332 1 7 ARG HA 1 10 GLY H 2.979 . 4.088 3.663 3.437 3.831 . 0 0 "[ . 1]" 1
333 1 3 ARG HA 1 4 ASP H 2.886 . 3.927 3.561 3.528 3.587 . 0 0 "[ . 1]" 1
334 1 6 SER HA 1 9 VAL H 2.942 . 4.024 3.457 3.202 3.600 . 0 0 "[ . 1]" 1
335 1 9 VAL HA 1 12 HIS H 3.210 . 4.498 4.653 4.559 4.701 0.203 8 0 "[ . 1]" 1
336 1 34 ARG HA 1 36 LYS H 3.121 . 4.338 3.998 3.709 4.305 . 0 0 "[ . 1]" 1
337 1 12 HIS H 1 12 HIS HB3 3.411 . 4.865 4.000 3.977 4.039 . 0 0 "[ . 1]" 1
338 1 31 CYS H 1 34 ARG HA 3.097 . 6.000 4.582 4.393 4.795 . 0 0 "[ . 1]" 1
339 1 12 HIS H 1 12 HIS HB2 3.107 . 4.313 3.050 2.996 3.135 . 0 0 "[ . 1]" 1
340 1 31 CYS H 1 31 CYS HB3 3.325 . 4.707 3.384 3.247 3.523 . 0 0 "[ . 1]" 1
341 1 28 PHE H 1 38 CYS QB 3.251 . 4.572 3.256 2.835 3.427 . 0 0 "[ . 1]" 1
342 1 25 PHE HB3 1 40 VAL H 3.022 . 4.164 3.179 3.065 3.344 . 0 0 "[ . 1]" 1
343 1 25 PHE HB3 1 25 PHE QE 3.356 . 4.764 4.404 4.389 4.415 . 0 0 "[ . 1]" 1
344 1 15 CYS HB2 1 16 ILE H 3.187 . 4.456 4.158 4.073 4.285 . 0 0 "[ . 1]" 1
345 1 11 TYR HB2 1 13 GLY H 3.170 . 6.000 5.170 5.070 5.260 . 0 0 "[ . 1]" 1
346 1 11 TYR HB2 1 12 HIS H 3.252 . 4.574 2.073 2.005 2.126 . 0 0 "[ . 1]" 1
347 1 14 TYR H 1 14 TYR HB3 2.910 . 3.968 3.530 3.449 3.578 . 0 0 "[ . 1]" 1
348 1 14 TYR HB3 1 15 CYS H 3.045 . 4.204 3.551 3.533 3.578 . 0 0 "[ . 1]" 1
349 1 24 PRO HD2 1 25 PHE H 2.929 . 6.000 5.002 4.695 5.069 . 0 0 "[ . 1]" 1
350 1 17 ARG HE 1 36 LYS HE3 3.342 . 4.738 4.474 3.581 4.815 0.077 10 0 "[ . 1]" 1
351 1 4 ASP H 1 4 ASP HB2 2.943 . 4.026 2.427 2.262 2.497 . 0 0 "[ . 1]" 1
352 1 35 GLN HE22 1 35 GLN HG2 3.029 . 4.176 3.483 3.471 3.490 . 0 0 "[ . 1]" 1
353 1 35 GLN HE21 1 35 GLN HG2 3.258 . 4.585 2.241 2.225 2.253 . 0 0 "[ . 1]" 1
354 1 28 PHE HB2 1 29 GLY H 3.413 . 4.869 4.584 4.554 4.613 . 0 0 "[ . 1]" 1
355 1 35 GLN HE21 1 35 GLN HG3 3.362 . 4.775 3.353 2.903 3.473 . 0 0 "[ . 1]" 1
356 1 39 CYS H 1 39 CYS HB3 3.007 . 4.137 3.748 3.721 3.765 . 0 0 "[ . 1]" 1
357 1 39 CYS HB3 1 40 VAL H 3.022 . 4.164 3.661 3.620 3.718 . 0 0 "[ . 1]" 1
358 1 26 ALA H 1 39 CYS HB3 3.327 . 4.711 4.335 4.131 4.529 . 0 0 "[ . 1]" 1
359 1 25 PHE QD 1 39 CYS HB3 3.122 . 4.340 3.097 2.960 3.223 . 0 0 "[ . 1]" 1
360 1 14 TYR QE 1 39 CYS HB3 3.219 . 4.514 4.155 3.760 4.403 . 0 0 "[ . 1]" 1
361 1 8 CYS H 1 38 CYS QB 3.408 . 4.859 4.711 4.661 4.822 . 0 0 "[ . 1]" 1
362 1 34 ARG H 1 34 ARG HB2 3.406 . 4.856 3.676 3.618 3.849 . 0 0 "[ . 1]" 1
363 1 34 ARG HB2 1 34 ARG HE 3.402 . 4.849 2.531 1.968 3.536 . 0 0 "[ . 1]" 1
364 1 35 GLN HB3 1 36 LYS H 3.247 . 4.565 3.814 3.622 3.983 . 0 0 "[ . 1]" 1
365 1 22 PRO HG3 1 25 PHE QD 3.348 . 6.000 4.963 4.815 5.166 . 0 0 "[ . 1]" 1
366 1 35 GLN HB2 1 36 LYS H 2.970 . 4.073 2.651 2.418 2.846 . 0 0 "[ . 1]" 1
367 1 34 ARG H 1 34 ARG HB3 3.288 . 4.639 2.792 2.625 3.272 . 0 0 "[ . 1]" 1
368 1 34 ARG HB3 1 34 ARG HE 3.411 . 4.865 3.018 2.024 3.728 . 0 0 "[ . 1]" 1
369 1 22 PRO HB2 1 25 PHE QD 3.088 . 4.280 3.888 3.742 4.239 . 0 0 "[ . 1]" 1
370 1 17 ARG HB3 1 18 SER H 2.992 . 6.000 4.383 4.273 4.513 . 0 0 "[ . 1]" 1
371 1 28 PHE QD 1 40 VAL HB 3.319 . 4.696 4.688 4.484 4.743 0.047 5 0 "[ . 1]" 1
372 1 14 TYR QE 1 16 ILE HB 3.253 . 4.576 4.168 3.873 4.372 . 0 0 "[ . 1]" 1
373 1 3 ARG HB3 1 3 ARG HE 3.016 . 4.153 3.927 2.992 4.364 0.211 9 0 "[ . 1]" 1
374 1 3 ARG HB3 1 33 TRP HZ3 3.222 . 4.520 3.166 2.713 4.607 0.087 7 0 "[ . 1]" 1
375 1 14 TYR H 1 39 CYS HB2 3.130 . 4.355 3.264 3.090 3.412 . 0 0 "[ . 1]" 1
376 1 25 PHE QD 1 39 CYS HB2 3.395 . 4.836 3.902 3.712 3.993 . 0 0 "[ . 1]" 1
377 1 14 TYR QD 1 39 CYS HB2 3.257 . 4.583 3.833 3.615 3.993 . 0 0 "[ . 1]" 1
378 1 14 TYR QE 1 39 CYS HB2 3.217 . 4.511 3.746 3.457 3.997 . 0 0 "[ . 1]" 1
379 1 16 ILE H 1 36 LYS HB3 2.911 . 3.970 3.271 3.195 3.412 . 0 0 "[ . 1]" 1
380 1 36 LYS H 1 36 LYS HB3 3.092 . 4.287 3.745 3.686 3.793 . 0 0 "[ . 1]" 1
381 1 3 ARG HB2 1 33 TRP HZ3 3.001 . 4.127 3.986 3.096 4.240 0.113 1 0 "[ . 1]" 1
382 1 19 LYS HB2 1 20 VAL H 2.955 . 4.046 3.625 3.331 4.065 0.019 3 0 "[ . 1]" 1
383 1 7 ARG H 1 7 ARG HG2 3.159 . 4.406 4.362 4.288 4.427 0.021 2 0 "[ . 1]" 1
384 1 17 ARG HB2 1 17 ARG HE 3.394 . 4.834 4.118 3.501 4.359 . 0 0 "[ . 1]" 1
385 1 7 ARG HE 1 7 ARG HG2 3.290 . 4.643 3.230 2.608 3.637 . 0 0 "[ . 1]" 1
386 1 7 ARG HG2 1 11 TYR QE 3.139 . 4.371 2.907 2.532 3.317 . 0 0 "[ . 1]" 1
387 1 2 PRO HG3 1 33 TRP HE1 3.428 . 4.897 3.451 3.073 3.946 . 0 0 "[ . 1]" 1
388 1 2 PRO HG3 1 33 TRP HD1 3.362 . 4.775 4.333 3.984 4.711 . 0 0 "[ . 1]" 1
389 1 7 ARG HG3 1 11 TYR QD 3.205 . 4.489 4.498 4.392 4.565 0.076 1 0 "[ . 1]" 1
390 1 7 ARG H 1 7 ARG HG3 3.424 . 4.889 4.491 4.460 4.522 . 0 0 "[ . 1]" 1
391 1 7 ARG HG3 1 11 TYR QE 3.241 . 4.554 3.001 2.698 3.393 . 0 0 "[ . 1]" 1
392 1 16 ILE HG13 1 37 THR H 3.275 . 4.616 3.199 2.955 3.446 . 0 0 "[ . 1]" 1
393 1 16 ILE HG13 1 17 ARG H 3.152 . 4.394 3.613 3.479 3.776 . 0 0 "[ . 1]" 1
394 1 2 PRO HB2 1 4 ASP H 2.938 . 4.017 3.187 2.894 3.659 . 0 0 "[ . 1]" 1
395 1 34 ARG H 1 34 ARG HG2 3.018 . 4.157 2.155 2.065 2.414 . 0 0 "[ . 1]" 1
396 1 1 LEU HB2 1 6 SER H 3.221 . 4.518 3.528 3.022 3.879 . 0 0 "[ . 1]" 1
397 1 27 ALA MB 1 29 GLY H 3.201 . 4.482 4.106 4.021 4.210 . 0 0 "[ . 1]" 1
398 1 26 ALA MB 1 28 PHE QD 3.270 . 4.607 4.271 4.235 4.341 . 0 0 "[ . 1]" 1
399 1 5 THR H 1 5 THR MG 3.058 . 4.227 3.681 3.632 3.724 . 0 0 "[ . 1]" 1
400 1 5 THR MG 1 9 VAL H 3.037 . 4.190 4.118 3.923 4.273 0.083 4 0 "[ . 1]" 1
401 1 16 ILE H 1 36 LYS HB2 3.400 . 4.845 4.439 4.305 4.783 . 0 0 "[ . 1]" 1
402 1 31 CYS H 1 36 LYS HB2 3.401 . 4.847 3.514 3.382 3.650 . 0 0 "[ . 1]" 1
403 1 37 THR H 1 37 THR MG 3.117 . 4.332 3.825 3.815 3.836 . 0 0 "[ . 1]" 1
404 1 21 CYS H 1 37 THR MG 3.270 . 4.607 4.595 4.390 4.656 0.049 2 0 "[ . 1]" 1
405 1 27 ALA H 1 37 THR MG 3.359 . 4.769 4.740 4.643 4.812 0.043 7 0 "[ . 1]" 1
406 1 16 ILE HG12 1 17 ARG H 3.284 . 4.632 4.690 4.640 4.759 0.127 10 0 "[ . 1]" 1
407 1 16 ILE HG12 1 18 SER H 3.113 . 4.324 4.016 3.903 4.160 . 0 0 "[ . 1]" 1
408 1 13 GLY H 1 40 VAL MG1 3.139 . 4.370 3.305 3.193 3.369 . 0 0 "[ . 1]" 1
409 1 14 TYR H 1 40 VAL MG1 3.257 . 4.583 3.154 3.103 3.226 . 0 0 "[ . 1]" 1
410 1 26 ALA H 1 40 VAL MG2 3.073 . 4.253 3.588 3.420 3.740 . 0 0 "[ . 1]" 1
411 1 19 LYS H 1 20 VAL MG2 3.109 . 4.317 3.365 2.949 3.639 . 0 0 "[ . 1]" 1
412 1 13 GLY H 1 40 VAL MG2 3.393 . 6.000 5.991 5.867 6.050 0.050 1 0 "[ . 1]" 1
413 1 2 PRO HB3 1 33 TRP HE1 3.323 . 4.703 3.369 3.001 3.535 . 0 0 "[ . 1]" 1
414 1 2 PRO HB3 1 4 ASP H 3.381 . 4.810 4.424 4.191 4.836 0.026 9 0 "[ . 1]" 1
415 1 2 PRO HB3 1 5 THR H 3.284 . 4.632 4.736 4.691 4.799 0.167 9 0 "[ . 1]" 1
416 1 2 PRO HB3 1 33 TRP HD1 3.385 . 4.818 3.788 3.569 3.984 . 0 0 "[ . 1]" 1
417 1 15 CYS HA 1 37 THR H 3.687 . 5.386 4.915 4.807 4.999 . 0 0 "[ . 1]" 1
418 1 14 TYR H 1 15 CYS HA 3.706 . 5.422 4.687 4.649 4.716 . 0 0 "[ . 1]" 1
419 1 15 CYS HA 1 38 CYS H 3.982 . 5.964 5.054 4.985 5.103 . 0 0 "[ . 1]" 1
420 1 14 TYR QD 1 15 CYS HA 3.789 . 5.583 4.412 4.257 4.534 . 0 0 "[ . 1]" 1
421 1 14 TYR H 1 39 CYS HA 3.887 . 5.775 4.836 4.769 4.931 . 0 0 "[ . 1]" 1
422 1 27 ALA H 1 39 CYS HA 3.783 . 5.572 5.068 4.835 5.204 . 0 0 "[ . 1]" 1
423 1 25 PHE QD 1 39 CYS HA 3.893 . 5.787 3.796 3.681 3.865 . 0 0 "[ . 1]" 1
424 1 30 THR HA 1 37 THR H 4.067 . 6.134 5.039 4.866 5.174 . 0 0 "[ . 1]" 1
425 1 30 THR HA 1 36 LYS H 3.785 . 5.576 5.368 5.176 5.519 . 0 0 "[ . 1]" 1
426 1 16 ILE H 1 38 CYS HA 3.970 . 5.941 3.737 3.582 3.868 . 0 0 "[ . 1]" 1
427 1 14 TYR H 1 38 CYS HA 3.574 . 5.170 4.767 4.558 4.935 . 0 0 "[ . 1]" 1
428 1 16 ILE HA 1 18 SER H 3.765 . 5.536 4.993 4.920 5.052 . 0 0 "[ . 1]" 1
429 1 14 TYR HA 1 14 TYR QD 3.450 . 4.938 3.736 3.717 3.747 . 0 0 "[ . 1]" 1
430 1 13 GLY HA2 1 14 TYR QD 3.576 . 5.174 2.789 2.574 2.910 . 0 0 "[ . 1]" 1
431 1 28 PHE HA 1 28 PHE QE 3.899 . 5.799 4.764 4.738 4.786 . 0 0 "[ . 1]" 1
432 1 10 GLY H 1 11 TYR HA 4.089 . 6.179 5.213 5.145 5.313 . 0 0 "[ . 1]" 1
433 1 11 TYR HA 1 11 TYR QE 3.462 . 4.960 4.652 4.615 4.685 . 0 0 "[ . 1]" 1
434 1 13 GLY H 1 40 VAL HA 3.683 . 5.379 4.950 4.785 5.073 . 0 0 "[ . 1]" 1
435 1 14 TYR QD 1 40 VAL HA 3.656 . 5.327 5.123 4.938 5.269 . 0 0 "[ . 1]" 1
436 1 30 THR HB 1 35 GLN H 3.590 . 5.201 4.678 4.574 4.843 . 0 0 "[ . 1]" 1
437 1 16 ILE H 1 17 ARG HA 4.049 . 6.098 4.899 4.822 5.010 . 0 0 "[ . 1]" 1
438 1 23 LYS HA 1 25 PHE QD 3.575 . 5.172 3.673 3.446 3.918 . 0 0 "[ . 1]" 1
439 1 12 HIS HA 1 12 HIS HE1 3.914 . 5.829 5.207 5.148 5.254 . 0 0 "[ . 1]" 1
440 1 11 TYR H 1 12 HIS HA 3.462 . 4.960 4.888 4.792 4.950 . 0 0 "[ . 1]" 1
441 1 8 CYS HA 1 10 GLY H 3.685 . 5.382 4.016 3.889 4.182 . 0 0 "[ . 1]" 1
442 1 8 CYS HA 1 28 PHE QD 3.774 . 5.555 4.175 4.057 4.338 . 0 0 "[ . 1]" 1
443 1 8 CYS HA 1 28 PHE HZ 3.710 . 5.431 4.919 4.869 5.016 . 0 0 "[ . 1]" 1
444 1 8 CYS HA 1 28 PHE QE 4.009 . 6.018 4.042 3.926 4.223 . 0 0 "[ . 1]" 1
445 1 8 CYS HA 1 11 TYR QE 3.760 . 5.527 4.061 3.372 4.709 . 0 0 "[ . 1]" 1
446 1 35 GLN HA 1 35 GLN HE22 3.788 . 5.581 3.556 3.324 4.264 . 0 0 "[ . 1]" 1
447 1 4 ASP HA 1 7 ARG HE 4.075 . 6.151 5.494 4.618 6.293 0.142 1 0 "[ . 1]" 1
448 1 33 TRP HA 1 33 TRP HZ3 3.721 . 5.451 4.415 4.335 4.628 . 0 0 "[ . 1]" 1
449 1 4 ASP H 1 5 THR HB 3.780 . 5.566 4.805 4.665 5.079 . 0 0 "[ . 1]" 1
450 1 2 PRO HA 1 33 TRP HH2 3.537 . 5.101 3.856 3.599 4.616 . 0 0 "[ . 1]" 1
451 1 2 PRO HA 1 33 TRP HD1 3.604 . 5.227 5.297 5.232 5.343 0.116 4 0 "[ . 1]" 1
452 1 7 ARG HA 1 11 TYR QD 3.852 . 5.707 4.555 4.370 4.804 . 0 0 "[ . 1]" 1
453 1 6 SER HA 1 7 ARG H 3.462 . 4.960 3.483 3.449 3.540 . 0 0 "[ . 1]" 1
454 1 6 SER HA 1 10 GLY H 3.890 . 5.782 4.058 3.737 4.252 . 0 0 "[ . 1]" 1
455 1 22 PRO HD2 1 25 PHE QD 3.847 . 5.697 4.471 4.200 4.748 . 0 0 "[ . 1]" 1
456 1 18 SER H 1 18 SER HB2 3.862 . 5.727 3.422 3.076 3.587 . 0 0 "[ . 1]" 1
457 1 33 TRP HB2 1 35 GLN HE21 4.024 . 6.049 4.602 4.215 4.760 . 0 0 "[ . 1]" 1
458 1 13 GLY HA3 1 14 TYR QD 3.655 . 5.325 3.555 3.414 3.680 . 0 0 "[ . 1]" 1
459 1 32 SER HB3 1 33 TRP H 3.786 . 5.578 3.788 3.713 3.829 . 0 0 "[ . 1]" 1
460 1 5 THR H 1 32 SER HB3 3.764 . 5.535 5.138 4.916 5.457 . 0 0 "[ . 1]" 1
461 1 32 SER HB3 1 33 TRP HD1 3.724 . 5.457 3.615 3.231 3.833 . 0 0 "[ . 1]" 1
462 1 11 TYR HB3 1 12 HIS H 3.521 . 5.071 1.959 1.911 2.116 0.060 3 0 "[ . 1]" 1
463 1 11 TYR HB3 1 13 GLY H 3.520 . 6.000 5.696 5.640 5.876 . 0 0 "[ . 1]" 1
464 1 11 TYR HB3 1 28 PHE QD 3.725 . 5.459 5.530 5.506 5.585 0.126 1 0 "[ . 1]" 1
465 1 11 TYR HB3 1 11 TYR QE 3.504 . 5.039 4.401 4.385 4.422 . 0 0 "[ . 1]" 1
466 1 24 PRO HD3 1 25 PHE H 3.539 . 6.000 5.538 5.485 5.578 . 0 0 "[ . 1]" 1
467 1 3 ARG HD2 1 4 ASP H 4.158 . 6.319 4.498 3.611 4.900 . 0 0 "[ . 1]" 1
468 1 25 PHE HB2 1 40 VAL H 3.531 . 5.090 4.930 4.811 5.091 0.001 2 0 "[ . 1]" 1
469 1 21 CYS H 1 25 PHE HB2 3.901 . 6.000 6.000 5.855 6.060 0.060 7 0 "[ . 1]" 1
470 1 16 ILE H 1 31 CYS HB2 3.898 . 5.797 3.977 3.725 4.184 . 0 0 "[ . 1]" 1
471 1 31 CYS HB2 1 37 THR H 3.862 . 5.727 3.870 3.725 3.980 . 0 0 "[ . 1]" 1
472 1 28 PHE HB3 1 29 GLY H 3.672 . 5.358 4.472 4.454 4.481 . 0 0 "[ . 1]" 1
473 1 10 GLY H 1 11 TYR HB2 3.719 . 5.448 4.736 4.636 4.860 . 0 0 "[ . 1]" 1
474 1 11 TYR HB2 1 11 TYR QE 3.486 . 5.005 4.427 4.414 4.441 . 0 0 "[ . 1]" 1
475 1 17 ARG H 1 36 LYS HE2 4.278 . 6.566 3.902 3.670 4.943 . 0 0 "[ . 1]" 1
476 1 4 ASP HB2 1 5 THR H 3.611 . 5.241 3.501 3.361 3.580 . 0 0 "[ . 1]" 1
477 1 27 ALA H 1 28 PHE HB2 4.470 . 6.967 5.558 5.532 5.612 . 0 0 "[ . 1]" 1
478 1 4 ASP HB3 1 5 THR H 3.582 . 5.186 4.064 3.969 4.145 . 0 0 "[ . 1]" 1
479 1 15 CYS HB3 1 37 THR H 3.892 . 5.786 4.992 4.723 5.234 . 0 0 "[ . 1]" 1
480 1 35 GLN HG3 1 36 LYS H 3.500 . 5.031 4.749 4.597 4.860 . 0 0 "[ . 1]" 1
481 1 25 PHE H 1 39 CYS HB3 3.802 . 5.609 5.659 5.633 5.686 0.077 3 0 "[ . 1]" 1
482 1 14 TYR H 1 39 CYS HB3 3.530 . 5.088 4.531 4.374 4.711 . 0 0 "[ . 1]" 1
483 1 25 PHE QE 1 39 CYS HB3 4.027 . 6.054 4.485 4.305 4.617 . 0 0 "[ . 1]" 1
484 1 14 TYR QD 1 39 CYS HB3 3.471 . 4.977 4.858 4.600 4.971 . 0 0 "[ . 1]" 1
485 1 24 PRO HB3 1 25 PHE H 3.523 . 5.074 4.300 4.257 4.336 . 0 0 "[ . 1]" 1
486 1 34 ARG HB2 1 35 GLN HE22 3.672 . 5.358 5.489 5.113 6.090 0.732 7 1 "[ . + 1]" 1
487 1 35 GLN HB3 1 35 GLN HE21 3.904 . 5.809 3.877 3.696 4.416 . 0 0 "[ . 1]" 1
488 1 22 PRO HG2 1 25 PHE H 4.021 . 6.042 5.930 5.787 6.025 . 0 0 "[ . 1]" 1
489 1 22 PRO HG2 1 25 PHE QE 3.467 . 4.969 4.413 4.296 4.631 . 0 0 "[ . 1]" 1
490 1 22 PRO HG3 1 23 LYS H 4.068 . 6.137 5.372 5.263 5.441 . 0 0 "[ . 1]" 1
491 1 22 PRO HG3 1 25 PHE QE 4.073 . 6.146 5.828 5.675 6.157 0.011 3 0 "[ . 1]" 1
492 1 35 GLN HB2 1 35 GLN HE22 3.830 . 5.663 5.159 5.100 5.353 . 0 0 "[ . 1]" 1
493 1 35 GLN HB2 1 35 GLN HE21 4.001 . 6.002 4.186 4.070 4.562 . 0 0 "[ . 1]" 1
494 1 9 VAL HB 1 13 GLY H 3.992 . 5.984 5.835 5.663 6.076 0.092 2 0 "[ . 1]" 1
495 1 9 VAL HB 1 11 TYR H 3.898 . 5.797 5.350 5.066 5.485 . 0 0 "[ . 1]" 1
496 1 22 PRO HB2 1 25 PHE H 3.890 . 5.781 5.858 5.815 5.908 0.127 9 0 "[ . 1]" 1
497 1 17 ARG HB3 1 17 ARG HE 3.973 . 5.946 4.276 3.848 4.438 . 0 0 "[ . 1]" 1
498 1 26 ALA H 1 40 VAL HB 3.598 . 5.217 5.053 4.854 5.240 0.023 3 0 "[ . 1]" 1
499 1 14 TYR QD 1 16 ILE HB 3.467 . 4.970 5.002 4.933 5.059 0.089 4 0 "[ . 1]" 1
500 1 3 ARG HB3 1 5 THR H 4.026 . 6.052 5.230 3.840 5.628 . 0 0 "[ . 1]" 1
501 1 39 CYS HB2 1 40 VAL H 3.531 . 5.090 4.364 4.343 4.386 . 0 0 "[ . 1]" 1
502 1 24 PRO HB2 1 25 PHE H 3.466 . 4.968 3.875 3.841 3.908 . 0 0 "[ . 1]" 1
503 1 26 ALA H 1 39 CYS HB2 3.948 . 5.896 5.742 5.558 5.898 0.002 6 0 "[ . 1]" 1
504 1 31 CYS H 1 36 LYS HB3 3.550 . 5.125 4.710 4.450 4.863 . 0 0 "[ . 1]" 1
505 1 3 ARG HB2 1 33 TRP HE3 4.236 . 6.479 4.378 2.991 4.778 . 0 0 "[ . 1]" 1
506 1 3 ARG HB2 1 5 THR H 3.906 . 5.813 5.320 5.049 5.530 . 0 0 "[ . 1]" 1
507 1 7 ARG HG2 1 8 CYS H 3.770 . 5.547 3.460 3.186 3.805 . 0 0 "[ . 1]" 1
508 1 34 ARG HG3 1 35 GLN H 4.057 . 6.115 4.063 3.855 4.242 . 0 0 "[ . 1]" 1
509 1 2 PRO HB2 1 33 TRP HE1 3.709 . 5.429 5.071 4.752 5.250 . 0 0 "[ . 1]" 1
510 1 2 PRO HG2 1 3 ARG H 3.948 . 5.896 3.774 3.669 3.921 . 0 0 "[ . 1]" 1
511 1 2 PRO HB2 1 33 TRP HD1 3.803 . 5.611 5.347 5.037 5.618 0.007 4 0 "[ . 1]" 1
512 1 19 LYS HG2 1 20 VAL H 3.929 . 5.859 4.630 4.356 4.983 . 0 0 "[ . 1]" 1
513 1 34 ARG HE 1 34 ARG HG2 3.547 . 5.120 3.294 2.452 3.653 . 0 0 "[ . 1]" 1
514 1 34 ARG HG2 1 35 GLN H 3.872 . 5.746 4.201 3.917 4.388 . 0 0 "[ . 1]" 1
515 1 19 LYS HG3 1 20 VAL H 3.938 . 5.877 5.321 4.817 5.703 . 0 0 "[ . 1]" 1
516 1 27 ALA MB 1 38 CYS H 3.680 . 5.373 4.935 4.699 5.190 . 0 0 "[ . 1]" 1
517 1 25 PHE QD 1 26 ALA MB 3.533 . 5.094 4.897 4.729 5.032 . 0 0 "[ . 1]" 1
518 1 26 ALA MB 1 28 PHE QE 3.955 . 6.000 6.042 6.017 6.074 0.074 4 0 "[ . 1]" 1
519 1 7 ARG HG3 1 28 PHE QE 4.409 . 6.839 3.896 3.604 4.375 . 0 0 "[ . 1]" 1
520 1 5 THR MG 1 7 ARG H 4.000 . 6.000 5.016 4.918 5.289 . 0 0 "[ . 1]" 1
521 1 35 GLN H 1 36 LYS HB2 3.644 . 5.304 4.693 4.600 4.804 . 0 0 "[ . 1]" 1
522 1 18 SER H 1 36 LYS HB2 4.002 . 6.004 5.809 5.365 6.034 0.030 5 0 "[ . 1]" 1
523 1 16 ILE H 1 37 THR MG 4.056 . 6.113 4.919 4.759 5.134 . 0 0 "[ . 1]" 1
524 1 20 VAL H 1 37 THR MG 3.964 . 5.928 5.057 4.790 5.252 . 0 0 "[ . 1]" 1
525 1 29 GLY H 1 30 THR MG 3.527 . 5.082 5.217 5.179 5.254 0.172 2 0 "[ . 1]" 1
526 1 30 THR MG 1 36 LYS H 3.676 . 5.365 4.750 4.570 4.864 . 0 0 "[ . 1]" 1
527 1 30 THR H 1 30 THR MG 3.549 . 5.123 3.240 3.144 3.342 . 0 0 "[ . 1]" 1
528 1 30 THR MG 1 35 GLN H 3.702 . 5.415 4.667 4.529 4.818 . 0 0 "[ . 1]" 1
529 1 30 THR MG 1 34 ARG HE 3.696 . 5.403 4.943 4.480 5.420 0.017 10 0 "[ . 1]" 1
530 1 16 ILE HG12 1 37 THR H 3.651 . 5.317 3.398 3.170 3.584 . 0 0 "[ . 1]" 1
531 1 16 ILE HG12 1 17 ARG HE 3.855 . 5.713 5.642 5.296 5.834 0.121 7 0 "[ . 1]" 1
532 1 9 VAL QG 1 11 TYR H 3.979 . 5.958 4.135 4.014 4.481 . 0 0 "[ . 1]" 1
533 1 11 TYR H 1 40 VAL MG1 3.539 . 5.104 4.009 3.775 4.163 . 0 0 "[ . 1]" 1
534 1 12 HIS HD2 1 40 VAL MG1 3.565 . 5.154 5.190 5.171 5.213 0.059 4 0 "[ . 1]" 1
535 1 20 VAL MG1 1 23 LYS H 3.920 . 5.841 5.716 5.438 5.887 0.046 6 0 "[ . 1]" 1
536 1 11 TYR QE 1 40 VAL MG1 3.613 . 5.244 5.272 5.182 5.341 0.097 7 0 "[ . 1]" 1
537 1 28 PHE QE 1 40 VAL MG1 3.718 . 5.446 4.954 4.863 5.077 . 0 0 "[ . 1]" 1
538 1 16 ILE MG 1 37 THR H 3.542 . 5.110 4.926 4.774 5.114 0.004 6 0 "[ . 1]" 1
539 1 11 TYR H 1 40 VAL MG2 4.072 . 6.145 5.487 5.234 5.634 . 0 0 "[ . 1]" 1
540 1 28 PHE QE 1 40 VAL MG2 3.718 . 5.445 3.655 3.571 3.726 . 0 0 "[ . 1]" 1
541 1 27 ALA H 1 40 VAL MG2 4.113 . 6.227 5.607 5.442 5.758 . 0 0 "[ . 1]" 1
542 1 11 TYR QE 1 40 VAL MG2 3.689 . 5.390 4.867 4.675 4.998 . 0 0 "[ . 1]" 1
543 1 16 ILE H 1 16 ILE MD 3.481 . 4.996 3.986 3.868 4.123 . 0 0 "[ . 1]" 1
544 1 16 ILE MD 1 17 ARG H 3.529 . 5.086 4.441 4.319 4.612 . 0 0 "[ . 1]" 1
545 1 2 PRO HB3 1 32 SER H 3.479 . 4.992 4.897 4.716 5.011 0.019 6 0 "[ . 1]" 1
546 1 2 PRO HB3 1 3 ARG H 3.774 . 5.555 3.032 2.974 3.122 . 0 0 "[ . 1]" 1
547 1 14 TYR QE 1 25 PHE HB2 3.844 . 5.692 4.983 4.594 5.160 . 0 0 "[ . 1]" 1
548 1 14 TYR QE 1 25 PHE HB3 3.699 . 5.410 5.118 4.740 5.365 . 0 0 "[ . 1]" 1
549 1 14 TYR HB3 1 14 TYR QE 3.542 . 5.110 4.452 4.437 4.472 . 0 0 "[ . 1]" 1
550 1 14 TYR QE 1 22 PRO HG2 4.065 . 6.130 3.917 3.671 4.137 . 0 0 "[ . 1]" 1
551 1 14 TYR QE 1 22 PRO HG3 4.073 . 6.147 4.160 3.708 4.443 . 0 0 "[ . 1]" 1
552 1 14 TYR QE 1 16 ILE HG13 4.032 . 6.064 5.978 5.893 6.071 0.007 9 0 "[ . 1]" 1
553 1 14 TYR QE 1 16 ILE HG12 4.050 . 6.101 5.252 4.995 5.491 . 0 0 "[ . 1]" 1
554 1 14 TYR QE 1 16 ILE MD 3.457 . 4.951 4.216 3.936 4.520 . 0 0 "[ . 1]" 1
555 1 33 TRP H 1 34 ARG H 3.671 . 5.355 4.528 4.503 4.562 . 0 0 "[ . 1]" 1
556 1 32 SER H 1 33 TRP H 4.040 . 6.080 4.264 4.229 4.283 . 0 0 "[ . 1]" 1
557 1 25 PHE H 1 25 PHE QE 3.453 . 6.000 5.682 5.554 5.780 . 0 0 "[ . 1]" 1
558 1 25 PHE QE 1 40 VAL H 3.756 . 5.519 4.932 4.803 5.123 . 0 0 "[ . 1]" 1
559 1 25 PHE QE 1 26 ALA H 3.459 . 6.000 5.465 5.272 5.578 . 0 0 "[ . 1]" 1
560 1 25 PHE QD 1 40 VAL H 3.660 . 5.334 2.951 2.883 3.140 . 0 0 "[ . 1]" 1
561 1 25 PHE H 1 25 PHE QD 2.469 . 6.000 3.729 3.534 3.836 . 0 0 "[ . 1]" 1
562 1 25 PHE QD 1 26 ALA H 3.233 . 4.539 3.245 3.021 3.416 . 0 0 "[ . 1]" 1
563 1 28 PHE H 1 28 PHE QD 3.597 . 5.214 4.198 4.175 4.226 . 0 0 "[ . 1]" 1
564 1 14 TYR QD 1 16 ILE H 4.222 . 6.450 4.713 4.527 5.010 . 0 0 "[ . 1]" 1
565 1 38 CYS H 1 39 CYS H 3.793 . 5.591 4.520 4.491 4.543 . 0 0 "[ . 1]" 1
566 1 28 PHE H 1 38 CYS H 3.477 . 4.988 3.847 3.628 3.971 . 0 0 "[ . 1]" 1
567 1 20 VAL H 1 21 CYS H 3.271 . 4.609 4.147 3.940 4.333 . 0 0 "[ . 1]" 1
568 1 33 TRP HE3 1 34 ARG H 3.536 . 5.099 3.933 3.622 4.848 . 0 0 "[ . 1]" 1
569 1 18 SER H 1 37 THR H 3.533 . 5.093 2.890 2.696 2.976 . 0 0 "[ . 1]" 1
570 1 17 ARG H 1 18 SER H 2.581 . 6.000 3.913 3.850 3.974 . 0 0 "[ . 1]" 1
571 1 14 TYR H 1 39 CYS H 2.797 . 3.775 3.056 2.879 3.229 . 0 0 "[ . 1]" 1
572 1 15 CYS H 1 16 ILE H 3.579 . 5.180 4.447 4.338 4.519 . 0 0 "[ . 1]" 1
573 1 23 LYS H 1 25 PHE H 3.366 . 4.782 4.645 4.517 4.763 . 0 0 "[ . 1]" 1
574 1 27 ALA H 1 40 VAL H 4.432 . 6.888 5.348 5.066 5.511 . 0 0 "[ . 1]" 1
575 1 26 ALA H 1 27 ALA H 3.388 . 4.823 4.469 4.430 4.497 . 0 0 "[ . 1]" 1
576 1 21 CYS H 1 27 ALA H 3.509 . 5.048 4.926 4.775 5.062 0.014 9 0 "[ . 1]" 1
577 1 36 LYS H 1 37 THR H 3.699 . 5.409 4.455 4.387 4.505 . 0 0 "[ . 1]" 1
578 1 34 ARG H 1 36 LYS H 3.446 . 4.931 4.749 4.404 4.907 . 0 0 "[ . 1]" 1
579 1 28 PHE H 1 29 GLY H 3.010 . 4.143 4.045 3.998 4.095 . 0 0 "[ . 1]" 1
580 1 16 ILE H 1 37 THR H 2.883 . 3.922 3.306 3.154 3.482 . 0 0 "[ . 1]" 1
581 1 26 ALA H 1 40 VAL H 2.502 . 3.285 2.540 2.430 2.621 . 0 0 "[ . 1]" 1
582 1 16 ILE H 1 17 ARG H 3.598 . 5.216 4.430 4.407 4.477 . 0 0 "[ . 1]" 1
583 1 14 TYR QE 1 25 PHE QE 2.954 . 4.045 2.697 2.515 2.873 . 0 0 "[ . 1]" 1
584 1 14 TYR QE 1 17 ARG HE 3.129 . 6.000 6.064 6.000 6.125 0.125 10 0 "[ . 1]" 1
585 1 14 TYR QE 1 25 PHE QD 2.954 . 4.045 3.636 3.336 3.773 . 0 0 "[ . 1]" 1
586 1 14 TYR H 1 14 TYR QD 2.493 . 3.270 2.894 2.580 3.075 . 0 0 "[ . 1]" 1
587 1 14 TYR QD 1 15 CYS H 3.036 . 4.188 3.103 2.925 3.278 . 0 0 "[ . 1]" 1
588 1 35 GLN H 1 36 LYS H 2.271 . 2.916 2.072 1.955 2.239 . 0 0 "[ . 1]" 1
589 1 19 LYS H 1 20 VAL H 2.280 . 2.930 2.237 2.027 2.473 . 0 0 "[ . 1]" 1
590 1 5 THR H 1 6 SER H 2.558 . 3.376 2.963 2.811 3.161 . 0 0 "[ . 1]" 1
591 1 4 ASP H 1 5 THR H 2.388 . 3.101 2.122 1.944 2.439 . 0 0 "[ . 1]" 1
592 1 11 TYR H 1 13 GLY H 3.042 . 6.000 5.605 5.449 5.741 . 0 0 "[ . 1]" 1
593 1 11 TYR H 1 12 HIS H 2.369 . 6.000 3.625 3.547 3.710 . 0 0 "[ . 1]" 1
594 1 10 GLY H 1 11 TYR H 2.427 . 3.164 2.560 2.455 2.701 . 0 0 "[ . 1]" 1
595 1 3 ARG H 1 4 ASP H 2.819 . 3.812 2.262 1.931 2.830 . 0 0 "[ . 1]" 1
596 1 8 CYS H 1 11 TYR QD 2.820 . 6.000 4.628 4.396 4.835 . 0 0 "[ . 1]" 1
597 1 8 CYS H 1 9 VAL H 2.439 . 3.183 2.655 2.577 2.721 . 0 0 "[ . 1]" 1
598 1 9 VAL H 1 10 GLY H 2.459 . 3.215 2.429 2.392 2.462 . 0 0 "[ . 1]" 1
599 1 12 HIS H 1 13 GLY H 2.556 . 6.000 3.748 3.713 3.801 . 0 0 "[ . 1]" 1
600 1 25 PHE HB2 1 39 CYS HA 3.586 . 5.193 4.539 4.372 4.688 . 0 0 "[ . 1]" 1
601 1 25 PHE HB3 1 39 CYS HA 3.351 . 4.755 3.030 2.896 3.172 . 0 0 "[ . 1]" 1
602 1 15 CYS HA 1 15 CYS HB2 2.745 . 3.687 3.026 3.022 3.029 . 0 0 "[ . 1]" 1
603 1 15 CYS HA 1 15 CYS HB3 2.487 . 3.260 2.467 2.441 2.496 . 0 0 "[ . 1]" 1
604 1 39 CYS HA 1 39 CYS HB3 2.641 . 3.513 2.464 2.447 2.490 . 0 0 "[ . 1]" 1
605 1 15 CYS HA 1 36 LYS HB3 3.569 . 5.161 4.219 3.981 4.328 . 0 0 "[ . 1]" 1
606 1 37 THR MG 1 39 CYS HA 3.264 . 4.596 4.197 4.093 4.286 . 0 0 "[ . 1]" 1
607 1 15 CYS HA 1 16 ILE HG12 3.491 . 5.015 4.249 4.034 4.395 . 0 0 "[ . 1]" 1
608 1 15 CYS HA 1 16 ILE MG 3.192 . 4.465 3.481 3.284 3.562 . 0 0 "[ . 1]" 1
609 1 39 CYS HA 1 40 VAL MG2 3.132 . 4.358 3.565 3.485 3.649 . 0 0 "[ . 1]" 1
610 1 15 CYS HA 1 38 CYS HA 2.769 . 3.727 2.651 2.531 2.789 . 0 0 "[ . 1]" 1
611 1 34 ARG H 1 35 GLN HA 4.144 . 6.290 4.889 4.174 5.093 . 0 0 "[ . 1]" 1
612 1 28 PHE H 1 37 THR HA 4.327 . 6.668 5.676 5.546 5.760 . 0 0 "[ . 1]" 1
613 1 36 LYS HE2 1 37 THR H 4.248 . 6.503 4.930 4.549 6.539 0.036 1 0 "[ . 1]" 1
614 1 24 PRO HD2 1 25 PHE QD 2.904 . 3.958 3.644 2.939 3.846 . 0 0 "[ . 1]" 1
615 1 25 PHE QE 1 40 VAL MG2 3.155 . 6.000 5.270 5.186 5.398 . 0 0 "[ . 1]" 1
616 1 26 ALA MB 1 40 VAL H 3.113 . 4.324 3.478 3.276 3.642 . 0 0 "[ . 1]" 1
617 1 27 ALA MB 1 39 CYS H 4.517 . 7.068 6.528 6.316 6.712 . 0 0 "[ . 1]" 1
618 1 16 ILE MG 1 39 CYS H 3.741 . 5.490 4.025 3.733 4.259 . 0 0 "[ . 1]" 1
619 1 7 ARG H 1 9 VAL QG 4.127 . 6.256 4.191 3.882 4.708 . 0 0 "[ . 1]" 1
620 1 4 ASP HA 1 5 THR H 3.337 . 4.729 3.315 3.291 3.370 . 0 0 "[ . 1]" 1
621 1 33 TRP HA 1 33 TRP HE1 4.098 . 6.197 5.766 5.729 5.829 . 0 0 "[ . 1]" 1
622 1 5 THR HA 1 9 VAL H 3.245 . 4.562 4.184 4.055 4.369 . 0 0 "[ . 1]" 1
623 1 7 ARG HG2 1 11 TYR QD 3.005 . 4.134 3.832 3.459 4.084 . 0 0 "[ . 1]" 1
624 1 14 TYR H 1 40 VAL MG2 3.424 . 4.890 5.057 5.031 5.093 0.203 9 0 "[ . 1]" 1
625 1 2 PRO HB3 1 33 TRP H 4.197 . 6.399 2.817 2.586 3.363 . 0 0 "[ . 1]" 1
626 1 4 ASP HA 1 28 PHE QE 4.386 . 6.791 6.232 5.478 6.813 0.022 1 0 "[ . 1]" 1
627 1 11 TYR HB3 1 28 PHE QE 4.297 . 6.605 5.317 5.187 5.413 . 0 0 "[ . 1]" 1
628 1 32 SER HB3 1 33 TRP HE1 4.683 . 7.425 4.330 3.762 4.608 . 0 0 "[ . 1]" 1
629 1 35 GLN HG2 1 36 LYS H 3.763 . 5.533 4.032 3.942 4.207 . 0 0 "[ . 1]" 1
630 1 24 PRO HB3 1 25 PHE QE 4.570 . 7.180 6.757 6.354 6.901 . 0 0 "[ . 1]" 1
631 1 7 ARG HG3 1 28 PHE QD 4.301 . 6.613 5.928 5.712 6.150 . 0 0 "[ . 1]" 1
632 1 7 ARG HG2 1 28 PHE QD 4.488 . 7.006 4.437 4.216 4.652 . 0 0 "[ . 1]" 1
633 1 37 THR MG 1 39 CYS H 3.654 . 5.323 4.661 4.568 4.758 . 0 0 "[ . 1]" 1
634 1 12 HIS H 1 40 VAL MG2 4.544 . 7.125 4.025 3.968 4.116 . 0 0 "[ . 1]" 1
635 1 12 HIS HD2 1 40 VAL MG2 4.024 . 6.048 6.096 6.007 6.129 0.081 3 0 "[ . 1]" 1
636 1 16 ILE MD 1 37 THR H 4.103 . 6.207 4.341 4.068 4.604 . 0 0 "[ . 1]" 1
637 1 28 PHE HZ 1 40 VAL MG1 4.151 . 6.305 6.020 5.844 6.237 . 0 0 "[ . 1]" 1
638 1 28 PHE HZ 1 40 VAL MG2 4.301 . 6.614 5.036 4.883 5.133 . 0 0 "[ . 1]" 1
639 1 33 TRP H 1 33 TRP HE3 4.335 . 6.684 3.528 3.249 3.832 . 0 0 "[ . 1]" 1
640 1 14 TYR QD 1 39 CYS H 3.810 . 5.625 4.882 4.764 5.029 . 0 0 "[ . 1]" 1
641 1 34 ARG H 1 35 GLN H 2.784 . 3.753 2.814 2.288 2.984 . 0 0 "[ . 1]" 1
642 1 27 ALA H 1 28 PHE H 3.321 . 4.700 4.115 4.086 4.256 . 0 0 "[ . 1]" 1
643 1 18 SER H 1 19 LYS H 4.111 . 6.224 4.245 4.165 4.299 . 0 0 "[ . 1]" 1
644 1 4 ASP H 1 33 TRP HE3 3.914 . 5.829 5.710 5.525 5.947 0.118 4 0 "[ . 1]" 1
645 1 4 ASP H 1 7 ARG H 4.154 . 6.311 5.254 5.068 5.605 . 0 0 "[ . 1]" 1
646 1 7 ARG H 1 9 VAL H 3.476 . 4.986 4.126 4.054 4.241 . 0 0 "[ . 1]" 1
647 1 9 VAL H 1 11 TYR H 3.427 . 4.895 4.029 3.959 4.120 . 0 0 "[ . 1]" 1
648 1 10 GLY H 1 11 TYR QD 4.103 . 6.208 3.763 3.510 4.055 . 0 0 "[ . 1]" 1
649 1 12 HIS H 1 12 HIS HD2 3.513 . 5.056 3.736 3.634 3.932 . 0 0 "[ . 1]" 1
650 1 28 PHE QD 1 29 GLY H 3.462 . 4.961 4.152 3.965 4.272 . 0 0 "[ . 1]" 1
651 1 38 CYS HA 1 39 CYS HA 4.361 . 6.738 4.380 4.368 4.393 . 0 0 "[ . 1]" 1
652 1 27 ALA HA 1 39 CYS HA 3.659 . 5.332 3.418 3.162 3.613 . 0 0 "[ . 1]" 1
653 1 26 ALA HA 1 39 CYS HA 4.032 . 6.064 5.073 4.963 5.158 . 0 0 "[ . 1]" 1
654 1 39 CYS HA 1 40 VAL HA 3.771 . 5.549 4.368 4.357 4.377 . 0 0 "[ . 1]" 1
655 1 15 CYS HA 1 37 THR HB 3.949 . 5.898 5.656 5.484 5.825 . 0 0 "[ . 1]" 1
656 1 15 CYS HA 1 31 CYS HB3 3.866 . 5.734 4.020 3.601 4.397 . 0 0 "[ . 1]" 1
657 1 15 CYS HA 1 31 CYS HB2 3.694 . 5.400 3.588 3.213 3.911 . 0 0 "[ . 1]" 1
658 1 28 PHE HB2 1 39 CYS HA 4.090 . 6.181 4.367 4.258 4.535 . 0 0 "[ . 1]" 1
659 1 39 CYS HA 1 40 VAL HB 3.770 . 6.000 5.723 5.700 5.759 . 0 0 "[ . 1]" 1
660 1 15 CYS HA 1 16 ILE HB 3.883 . 5.768 5.699 5.623 5.728 . 0 0 "[ . 1]" 1
661 1 15 CYS HA 1 16 ILE HG13 3.889 . 5.779 5.463 5.270 5.596 . 0 0 "[ . 1]" 1
662 1 15 CYS HA 1 36 LYS HB2 4.012 . 6.025 4.756 4.417 5.062 . 0 0 "[ . 1]" 1
663 1 15 CYS HA 1 37 THR MG 4.321 . 6.655 5.522 5.430 5.624 . 0 0 "[ . 1]" 1
664 1 39 CYS HA 1 40 VAL MG1 3.367 . 4.784 4.113 4.068 4.163 . 0 0 "[ . 1]" 1
665 1 14 TYR HA 1 14 TYR QE 4.282 . 6.574 5.682 5.668 5.690 . 0 0 "[ . 1]" 1
666 1 14 TYR QE 1 40 VAL HA 4.204 . 6.413 5.660 5.257 5.990 . 0 0 "[ . 1]" 1
667 1 33 TRP HD1 1 34 ARG H 4.406 . 6.833 5.471 4.351 5.813 . 0 0 "[ . 1]" 1
668 1 14 TYR QE 1 39 CYS H 4.313 . 6.638 5.610 5.412 5.815 . 0 0 "[ . 1]" 1
669 1 14 TYR QE 1 25 PHE H 4.590 . 7.224 7.195 6.887 7.261 0.037 8 0 "[ . 1]" 1
670 1 14 TYR H 1 14 TYR QE 3.557 . 5.139 4.506 4.399 4.608 . 0 0 "[ . 1]" 1
671 1 14 TYR QD 1 25 PHE QE 3.109 . 4.318 3.416 3.132 3.618 . 0 0 "[ . 1]" 1
672 1 30 THR HA 1 30 THR HB 2.927 . 3.998 2.549 2.529 2.578 . 0 0 "[ . 1]" 1
673 1 30 THR HA 1 31 CYS HA 4.145 . 6.293 4.406 4.363 4.439 . 0 0 "[ . 1]" 1
674 1 30 THR HA 1 37 THR HA 2.169 . 2.757 2.287 2.144 2.448 . 0 0 "[ . 1]" 1
675 1 30 THR HA 1 37 THR HB 3.310 . 6.000 5.215 5.094 5.386 . 0 0 "[ . 1]" 1
676 1 23 LYS HA 1 24 PRO HA 2.158 . 2.740 1.901 1.842 1.980 . 0 0 "[ . 1]" 1
677 1 30 THR HB 1 37 THR HA 3.568 . 5.160 4.351 4.191 4.498 . 0 0 "[ . 1]" 1
678 1 5 THR HA 1 31 CYS HA 2.999 . 4.123 3.377 3.088 3.593 . 0 0 "[ . 1]" 1
679 1 3 ARG HD3 1 33 TRP HA 2.483 . 3.254 2.506 1.845 3.911 0.657 10 1 "[ . +]" 1
680 1 9 VAL HA 1 12 HIS HA 3.848 . 5.699 4.322 3.658 4.581 . 0 0 "[ . 1]" 1
681 1 1 LEU HA 1 2 PRO HD3 3.521 . 5.071 2.281 2.157 2.472 . 0 0 "[ . 1]" 1
682 1 30 THR HB 1 34 ARG HA 2.829 . 3.829 2.797 2.582 3.075 . 0 0 "[ . 1]" 1
683 1 33 TRP HA 1 33 TRP HB2 2.820 . 3.814 3.021 3.016 3.026 . 0 0 "[ . 1]" 1
684 1 32 SER HA 1 32 SER HB2 2.252 . 2.886 2.997 2.991 3.001 0.115 10 0 "[ . 1]" 1
685 1 32 SER HA 1 32 SER HB3 2.830 . 3.831 2.356 2.334 2.374 . 0 0 "[ . 1]" 1
686 1 8 CYS HA 1 13 GLY HA3 4.524 . 7.083 6.674 5.899 7.083 . 0 0 "[ . 1]" 1
687 1 8 CYS HA 1 11 TYR HB3 3.713 . 5.437 5.253 4.995 5.441 0.004 5 0 "[ . 1]" 1
688 1 38 CYS HA 1 38 CYS QB 2.972 . 4.076 2.310 2.286 2.333 . 0 0 "[ . 1]" 1
689 1 30 THR HA 1 38 CYS QB 3.365 . 4.780 4.156 3.951 4.607 . 0 0 "[ . 1]" 1
690 1 25 PHE HA 1 25 PHE HB3 2.794 . 3.770 2.592 2.573 2.620 . 0 0 "[ . 1]" 1
691 1 11 TYR HA 1 11 TYR HB2 2.831 . 3.833 3.028 3.023 3.032 . 0 0 "[ . 1]" 1
692 1 24 PRO HA 1 24 PRO HD2 3.587 . 5.195 4.007 3.860 4.039 . 0 0 "[ . 1]" 1
693 1 28 PHE HA 1 28 PHE HB2 2.612 . 3.465 2.490 2.469 2.521 . 0 0 "[ . 1]" 1
694 1 2 PRO HD2 1 5 THR HB 2.817 . 3.809 3.060 2.614 3.563 . 0 0 "[ . 1]" 1
695 1 5 THR HA 1 31 CYS HB3 3.012 . 4.146 3.948 3.485 4.202 0.056 9 0 "[ . 1]" 1
696 1 37 THR HA 1 38 CYS QB 3.404 . 4.852 4.207 4.102 4.539 . 0 0 "[ . 1]" 1
697 1 8 CYS HA 1 11 TYR HB2 3.572 . 5.167 3.599 3.397 3.761 . 0 0 "[ . 1]" 1
698 1 35 GLN HA 1 35 GLN HG2 3.066 . 4.241 3.045 2.901 3.101 . 0 0 "[ . 1]" 1
699 1 35 GLN HA 1 35 GLN HG3 2.830 . 3.831 3.823 3.782 3.851 0.020 2 0 "[ . 1]" 1
700 1 8 CYS HA 1 38 CYS QB 4.748 . 7.566 3.956 3.891 4.049 . 0 0 "[ . 1]" 1
701 1 25 PHE HA 1 39 CYS HB3 4.535 . 7.106 4.594 4.505 4.682 . 0 0 "[ . 1]" 1
702 1 30 THR HA 1 37 THR MG 3.070 . 4.248 3.312 3.106 3.459 . 0 0 "[ . 1]" 1
703 1 30 THR HA 1 30 THR MG 2.156 . 2.737 2.237 2.208 2.266 . 0 0 "[ . 1]" 1
704 1 24 PRO HA 1 24 PRO HB3 2.549 . 3.361 2.315 2.298 2.324 . 0 0 "[ . 1]" 1
705 1 22 PRO HA 1 22 PRO HB3 2.466 . 3.226 2.285 2.278 2.293 . 0 0 "[ . 1]" 1
706 1 22 PRO HA 1 22 PRO HG2 2.766 . 6.000 3.885 3.873 3.899 . 0 0 "[ . 1]" 1
707 1 21 CYS HA 1 22 PRO HG2 4.250 . 6.508 4.259 4.155 4.398 . 0 0 "[ . 1]" 1
708 1 21 CYS HA 1 22 PRO HG3 4.063 . 6.127 4.356 4.319 4.378 . 0 0 "[ . 1]" 1
709 1 22 PRO HA 1 22 PRO HG3 2.879 . 3.915 3.977 3.966 3.987 0.072 7 0 "[ . 1]" 1
710 1 30 THR HB 1 34 ARG HB3 3.790 . 5.586 4.604 4.249 4.859 . 0 0 "[ . 1]" 1
711 1 34 ARG HB3 1 35 GLN HA 3.714 . 5.438 5.847 5.805 5.875 0.437 5 0 "[ . 1]" 1
712 1 17 ARG HA 1 17 ARG HB3 2.754 . 3.702 2.296 2.238 2.438 . 0 0 "[ . 1]" 1
713 1 22 PRO HA 1 22 PRO HB2 2.521 . 3.315 2.728 2.708 2.746 . 0 0 "[ . 1]" 1
714 1 40 VAL HA 1 40 VAL HB 2.685 . 3.586 2.556 2.540 2.573 . 0 0 "[ . 1]" 1
715 1 24 PRO HA 1 24 PRO HB2 2.562 . 3.382 2.664 2.650 2.715 . 0 0 "[ . 1]" 1
716 1 16 ILE HA 1 16 ILE HB 2.833 . 3.837 2.362 2.324 2.403 . 0 0 "[ . 1]" 1
717 1 38 CYS HA 1 39 CYS HB2 4.047 . 6.094 4.571 4.517 4.614 . 0 0 "[ . 1]" 1
718 1 23 LYS HA 1 24 PRO HB2 3.552 . 5.129 4.385 4.350 4.444 . 0 0 "[ . 1]" 1
719 1 17 ARG HA 1 36 LYS HB3 3.281 . 4.626 3.466 3.178 3.672 . 0 0 "[ . 1]" 1
720 1 16 ILE HA 1 16 ILE HG13 3.645 . 5.305 3.620 3.582 3.650 . 0 0 "[ . 1]" 1
721 1 27 ALA HA 1 27 ALA MB 3.032 . 4.182 2.132 2.130 2.133 . 0 0 "[ . 1]" 1
722 1 26 ALA HA 1 26 ALA MB 2.014 . 2.521 2.132 2.129 2.136 . 0 0 "[ . 1]" 1
723 1 17 ARG HA 1 36 LYS HB2 2.773 . 6.000 4.813 4.398 4.944 . 0 0 "[ . 1]" 1
724 1 30 THR HB 1 30 THR MG 2.121 . 2.683 2.132 2.127 2.135 . 0 0 "[ . 1]" 1
725 1 16 ILE HA 1 16 ILE MG 2.566 . 3.389 2.481 2.424 2.548 . 0 0 "[ . 1]" 1
726 1 16 ILE HA 1 16 ILE MD 3.584 . 5.189 4.173 4.157 4.185 . 0 0 "[ . 1]" 1
727 1 16 ILE MD 1 21 CYS HA 2.756 . 3.705 2.249 2.068 2.420 . 0 0 "[ . 1]" 1
728 1 13 GLY HA2 1 40 VAL MG1 3.128 . 4.351 3.384 3.223 3.534 . 0 0 "[ . 1]" 1
729 1 40 VAL HA 1 40 VAL MG1 2.382 . 3.091 2.225 2.196 2.251 . 0 0 "[ . 1]" 1
730 1 40 VAL HA 1 40 VAL MG2 2.586 . 3.422 3.182 3.175 3.187 . 0 0 "[ . 1]" 1
731 1 37 THR MG 1 38 CYS HA 3.593 . 5.207 4.000 3.920 4.078 . 0 0 "[ . 1]" 1
732 1 36 LYS HA 1 37 THR MG 3.602 . 6.000 5.464 5.445 5.489 . 0 0 "[ . 1]" 1
733 1 16 ILE HA 1 16 ILE HG12 4.193 . 6.390 3.788 3.754 3.834 . 0 0 "[ . 1]" 1
734 1 23 LYS HA 1 24 PRO HB3 3.495 . 5.022 4.095 4.041 4.167 . 0 0 "[ . 1]" 1
735 1 35 GLN HA 1 35 GLN HB3 2.654 . 3.534 2.420 2.396 2.468 . 0 0 "[ . 1]" 1
736 1 5 THR HA 1 38 CYS QB 4.912 . 7.928 5.151 4.727 5.661 . 0 0 "[ . 1]" 1
737 1 34 ARG HA 1 35 GLN HG3 4.179 . 6.362 6.295 6.251 6.425 0.063 3 0 "[ . 1]" 1
738 1 22 PRO HB3 1 22 PRO HD2 3.550 . 5.125 3.908 3.894 3.922 . 0 0 "[ . 1]" 1
739 1 33 TRP HB2 1 35 GLN HG2 4.044 . 6.088 2.582 2.287 2.719 . 0 0 "[ . 1]" 1
740 1 15 CYS HB3 1 31 CYS HB2 3.329 . 4.714 3.044 2.814 3.208 . 0 0 "[ . 1]" 1
741 1 25 PHE HB3 1 39 CYS HB3 3.116 . 4.329 2.110 2.045 2.170 . 0 0 "[ . 1]" 1
742 1 24 PRO HB3 1 24 PRO HD3 3.255 . 4.580 3.293 3.190 3.713 . 0 0 "[ . 1]" 1
743 1 32 SER HB2 1 35 GLN HB2 3.588 . 5.197 4.645 3.267 5.096 . 0 0 "[ . 1]" 1
744 1 34 ARG HA 1 34 ARG HB3 2.835 . 3.840 2.440 2.410 2.464 . 0 0 "[ . 1]" 1
745 1 22 PRO HB2 1 22 PRO HD2 3.760 . 5.527 4.001 3.967 4.024 . 0 0 "[ . 1]" 1
746 1 6 SER HA 1 9 VAL HB 2.961 . 4.057 3.886 2.809 4.170 0.113 3 0 "[ . 1]" 1
747 1 3 ARG HA 1 3 ARG HB3 2.721 . 3.646 2.524 2.349 3.030 . 0 0 "[ . 1]" 1
748 1 3 ARG HA 1 3 ARG HB2 2.451 . 3.202 2.471 2.429 2.524 . 0 0 "[ . 1]" 1
749 1 19 LYS HA 1 19 LYS HB2 2.649 . 3.526 3.022 3.019 3.025 . 0 0 "[ . 1]" 1
750 1 34 ARG HG3 1 35 GLN HA 3.159 . 4.407 3.977 3.805 4.084 . 0 0 "[ . 1]" 1
751 1 1 LEU HB3 1 5 THR HB 3.248 . 4.567 2.509 2.002 4.122 . 0 0 "[ . 1]" 1
752 1 1 LEU HG 1 5 THR HB 3.386 . 4.819 4.321 3.771 4.835 0.016 4 0 "[ . 1]" 1
753 1 7 ARG HA 1 7 ARG HG2 3.198 . 4.477 3.269 3.120 3.414 . 0 0 "[ . 1]" 1
754 1 16 ILE HG13 1 37 THR HB 2.825 . 3.822 3.350 3.014 3.664 . 0 0 "[ . 1]" 1
755 1 2 PRO HG2 1 5 THR HB 3.266 . 4.599 3.993 3.892 4.100 . 0 0 "[ . 1]" 1
756 1 1 LEU HB2 1 5 THR HB 3.185 . 4.453 3.167 2.361 3.619 . 0 0 "[ . 1]" 1
757 1 19 LYS HA 1 19 LYS HG2 3.117 . 4.332 2.880 2.378 3.289 . 0 0 "[ . 1]" 1
758 1 19 LYS HA 1 19 LYS HG3 3.131 . 4.357 3.668 3.315 3.863 . 0 0 "[ . 1]" 1
759 1 20 VAL HA 1 27 ALA MB 3.011 . 4.144 4.055 3.886 4.178 0.034 4 0 "[ . 1]" 1
760 1 27 ALA MB 1 37 THR HB 4.144 . 6.290 4.354 4.162 4.504 . 0 0 "[ . 1]" 1
761 1 5 THR MG 1 31 CYS HA 3.281 . 6.000 4.737 4.363 4.978 . 0 0 "[ . 1]" 1
762 1 31 CYS HA 1 36 LYS HB2 4.162 . 6.327 4.568 4.398 4.701 . 0 0 "[ . 1]" 1
763 1 32 SER HA 1 36 LYS HB2 3.475 . 4.984 4.976 4.826 5.040 0.056 9 0 "[ . 1]" 1
764 1 37 THR HA 1 37 THR MG 2.176 . 2.768 2.374 2.344 2.406 . 0 0 "[ . 1]" 1
765 1 30 THR MG 1 37 THR HA 2.587 . 3.424 3.497 3.471 3.535 0.111 10 0 "[ . 1]" 1
766 1 5 THR HA 1 5 THR MG 2.306 . 2.971 2.270 2.252 2.308 . 0 0 "[ . 1]" 1
767 1 37 THR HB 1 37 THR MG 2.119 . 2.680 2.137 2.135 2.138 . 0 0 "[ . 1]" 1
768 1 20 VAL HA 1 20 VAL MG1 2.214 . 2.827 2.391 2.370 2.441 . 0 0 "[ . 1]" 1
769 1 20 VAL HA 1 20 VAL MG2 2.233 . 2.856 2.411 2.374 2.444 . 0 0 "[ . 1]" 1
770 1 16 ILE MG 1 17 ARG HA 3.420 . 6.000 5.538 5.523 5.556 . 0 0 "[ . 1]" 1
771 1 5 THR HB 1 9 VAL QG 3.931 . 5.863 4.283 4.198 4.378 . 0 0 "[ . 1]" 1
772 1 32 SER HB2 1 36 LYS HB3 4.102 . 6.205 4.367 4.203 4.630 . 0 0 "[ . 1]" 1
773 1 34 ARG HA 1 34 ARG HG3 3.128 . 4.351 3.761 3.733 3.814 . 0 0 "[ . 1]" 1
774 1 34 ARG HA 1 34 ARG HG2 3.243 . 4.557 3.768 3.718 3.804 . 0 0 "[ . 1]" 1
775 1 2 PRO HG3 1 32 SER HB3 2.855 . 3.874 2.481 2.270 2.666 . 0 0 "[ . 1]" 1
776 1 2 PRO HG2 1 32 SER HB3 3.385 . 4.817 2.008 1.948 2.170 0.005 2 0 "[ . 1]" 1
777 1 32 SER HB2 1 36 LYS HB2 3.430 . 4.901 3.237 3.055 3.342 . 0 0 "[ . 1]" 1
778 1 30 THR MG 1 34 ARG HA 2.335 . 3.016 2.526 2.263 2.819 . 0 0 "[ . 1]" 1
779 1 16 ILE HG12 1 37 THR HB 3.173 . 4.432 2.957 2.719 3.396 . 0 0 "[ . 1]" 1
780 1 6 SER HA 1 9 VAL QG 2.473 . 3.237 2.080 1.771 3.151 . 0 0 "[ . 1]" 1
781 1 16 ILE MG 1 37 THR HB 2.934 . 6.000 4.806 4.605 5.174 . 0 0 "[ . 1]" 1
782 1 16 ILE MG 1 18 SER HB3 3.510 . 5.050 4.793 4.218 5.750 0.700 8 3 "[ - . *+ 1]" 1
783 1 18 SER HB3 1 20 VAL MG2 3.926 . 5.852 4.805 3.534 5.302 . 0 0 "[ . 1]" 1
784 1 16 ILE MD 1 18 SER HB3 3.076 . 4.259 2.299 1.922 3.120 . 0 0 "[ . 1]" 1
785 1 16 ILE MD 1 37 THR HB 3.056 . 4.223 3.257 2.842 3.510 . 0 0 "[ . 1]" 1
786 1 16 ILE MD 1 22 PRO HD2 3.118 . 4.333 2.578 2.260 3.042 . 0 0 "[ . 1]" 1
787 1 9 VAL HA 1 9 VAL QG 2.630 . 3.265 2.260 2.137 2.313 . 0 0 "[ . 1]" 1
788 1 2 PRO HB3 1 5 THR HB 4.566 . 7.172 5.616 5.275 5.815 . 0 0 "[ . 1]" 1
789 1 16 ILE MD 1 22 PRO HD3 3.863 . 5.728 2.612 2.290 3.048 . 0 0 "[ . 1]" 1
790 1 13 GLY HA3 1 40 VAL MG1 2.934 . 4.010 1.978 1.896 2.090 . 0 0 "[ . 1]" 1
791 1 13 GLY HA3 1 40 VAL MG2 3.052 . 6.000 4.453 4.353 4.520 . 0 0 "[ . 1]" 1
792 1 2 PRO HB3 1 32 SER HB3 4.129 . 6.260 2.621 2.169 2.919 . 0 0 "[ . 1]" 1
793 1 24 PRO HB3 1 24 PRO HD2 3.557 . 5.138 3.896 3.882 3.918 . 0 0 "[ . 1]" 1
794 1 35 GLN HB3 1 35 GLN HG2 2.786 . 3.756 2.998 2.992 3.003 . 0 0 "[ . 1]" 1
795 1 35 GLN HB3 1 35 GLN HG3 2.541 . 3.348 2.508 2.486 2.534 . 0 0 "[ . 1]" 1
796 1 35 GLN HB2 1 35 GLN HG2 2.823 . 3.819 2.515 2.495 2.541 . 0 0 "[ . 1]" 1
797 1 35 GLN HB2 1 35 GLN HG3 2.819 . 3.812 2.341 2.319 2.354 . 0 0 "[ . 1]" 1
798 1 11 TYR HB3 1 40 VAL HB 4.158 . 6.319 3.427 3.257 3.606 . 0 0 "[ . 1]" 1
799 1 24 PRO HB2 1 24 PRO HD3 2.910 . 3.968 4.047 4.022 4.123 0.155 7 0 "[ . 1]" 1
800 1 3 ARG HB2 1 3 ARG HD2 2.344 . 3.031 2.768 2.494 3.508 0.477 10 0 "[ . 1]" 1
801 1 31 CYS HB3 1 36 LYS HB3 3.589 . 5.199 3.509 3.346 3.710 . 0 0 "[ . 1]" 1
802 1 31 CYS HB2 1 36 LYS HB3 2.997 . 4.120 3.294 2.948 3.527 . 0 0 "[ . 1]" 1
803 1 25 PHE HB3 1 39 CYS HB2 3.087 . 4.279 3.773 3.730 3.807 . 0 0 "[ . 1]" 1
804 1 28 PHE HB3 1 40 VAL HB 3.441 . 6.000 5.535 5.402 5.588 . 0 0 "[ . 1]" 1
805 1 36 LYS HB3 1 36 LYS HE2 3.418 . 4.878 2.172 1.946 3.651 0.012 5 0 "[ . 1]" 1
806 1 24 PRO HB2 1 24 PRO HD2 3.433 . 4.906 3.878 3.552 3.946 . 0 0 "[ . 1]" 1
807 1 36 LYS HB3 1 36 LYS HE3 3.954 . 5.908 3.048 2.332 3.307 . 0 0 "[ . 1]" 1
808 1 28 PHE HB2 1 40 VAL HB 3.371 . 4.792 4.775 4.648 4.826 0.034 3 0 "[ . 1]" 1
809 1 15 CYS HB3 1 36 LYS HB3 3.131 . 4.357 2.854 2.600 3.020 . 0 0 "[ . 1]" 1
810 1 25 PHE HB3 1 26 ALA MB 3.513 . 5.055 4.487 4.448 4.525 . 0 0 "[ . 1]" 1
811 1 26 ALA MB 1 28 PHE HB2 3.207 . 4.493 3.731 3.645 3.848 . 0 0 "[ . 1]" 1
812 1 2 PRO HD2 1 5 THR MG 2.649 . 3.526 3.105 2.684 3.376 . 0 0 "[ . 1]" 1
813 1 31 CYS HB2 1 36 LYS HB2 2.666 . 3.554 2.471 2.114 2.770 . 0 0 "[ . 1]" 1
814 1 31 CYS HB3 1 36 LYS HB2 3.155 . 4.399 2.349 2.250 2.602 . 0 0 "[ . 1]" 1
815 1 11 TYR HB3 1 40 VAL MG1 2.656 . 3.537 2.920 2.779 3.226 . 0 0 "[ . 1]" 1
816 1 11 TYR HB3 1 40 VAL MG2 2.895 . 3.943 3.670 3.553 3.908 . 0 0 "[ . 1]" 1
817 1 36 LYS HB2 1 36 LYS HE2 3.159 . 4.406 3.342 3.087 4.359 . 0 0 "[ . 1]" 1
818 1 36 LYS HB2 1 36 LYS HE3 3.217 . 4.510 4.347 3.590 4.708 0.198 5 0 "[ . 1]" 1
819 1 4 ASP HB2 1 30 THR MG 3.755 . 5.517 5.208 4.949 5.630 0.113 1 0 "[ . 1]" 1
820 1 37 THR MG 1 38 CYS QB 3.306 . 4.672 3.663 3.574 3.765 . 0 0 "[ . 1]" 1
821 1 28 PHE HB3 1 40 VAL MG1 2.756 . 3.705 3.754 3.740 3.765 0.060 2 0 "[ . 1]" 1
822 1 28 PHE HB3 1 40 VAL MG2 2.450 . 3.200 2.540 2.455 2.606 . 0 0 "[ . 1]" 1
823 1 28 PHE HB2 1 40 VAL MG1 2.876 . 3.910 3.921 3.874 3.945 0.035 3 0 "[ . 1]" 1
824 1 28 PHE HB2 1 40 VAL MG2 2.419 . 3.150 1.956 1.886 1.986 . 0 0 "[ . 1]" 1
825 1 22 PRO HB2 1 22 PRO HG3 2.677 . 3.573 2.684 2.677 2.694 . 0 0 "[ . 1]" 1
826 1 15 CYS HB3 1 36 LYS HB2 3.148 . 4.386 3.062 2.910 3.438 . 0 0 "[ . 1]" 1
827 1 35 GLN HB3 1 36 LYS HB2 4.000 . 6.000 5.842 5.498 5.968 . 0 0 "[ . 1]" 1
828 1 30 THR MG 1 34 ARG HB2 2.950 . 4.038 3.257 3.078 3.412 . 0 0 "[ . 1]" 1
829 1 16 ILE MG 1 39 CYS HB3 3.861 . 5.724 4.024 3.800 4.200 . 0 0 "[ . 1]" 1
830 1 16 ILE MD 1 39 CYS HB3 4.108 . 6.217 4.327 4.182 4.551 . 0 0 "[ . 1]" 1
831 1 34 ARG HB2 1 34 ARG HG2 2.887 . 3.929 3.008 3.002 3.013 . 0 0 "[ . 1]" 1
832 1 34 ARG HB3 1 34 ARG HG3 2.934 . 4.010 3.010 3.004 3.013 . 0 0 "[ . 1]" 1
833 1 34 ARG HB3 1 34 ARG HG2 2.920 . 3.986 2.437 2.381 2.519 . 0 0 "[ . 1]" 1
834 1 19 LYS HB3 1 19 LYS HG2 2.655 . 3.536 2.889 2.580 3.009 . 0 0 "[ . 1]" 1
835 1 19 LYS HB3 1 19 LYS HG3 2.713 . 3.633 2.625 2.373 2.990 . 0 0 "[ . 1]" 1
836 1 5 THR MG 1 9 VAL HB 3.454 . 4.945 3.694 3.320 4.734 . 0 0 "[ . 1]" 1
837 1 35 GLN HB2 1 36 LYS HB2 3.916 . 5.833 4.620 4.458 4.703 . 0 0 "[ . 1]" 1
838 1 30 THR MG 1 34 ARG HB3 2.564 . 3.386 3.468 3.167 3.728 0.342 1 0 "[ . 1]" 1
839 1 19 LYS HB3 1 37 THR MG 3.499 . 5.029 4.537 3.913 5.067 0.038 8 0 "[ . 1]" 1
840 1 27 ALA MB 1 37 THR MG 2.046 . 2.569 2.202 2.077 2.338 . 0 0 "[ . 1]" 1
841 1 20 VAL HB 1 20 VAL MG1 1.906 . 2.360 2.129 2.126 2.131 . 0 0 "[ . 1]" 1
842 1 20 VAL HB 1 20 VAL MG2 1.961 . 2.442 2.129 2.127 2.131 . 0 0 "[ . 1]" 1
843 1 16 ILE HB 1 16 ILE MD 2.414 . 3.142 2.408 2.386 2.431 . 0 0 "[ . 1]" 1
844 1 19 LYS HB2 1 20 VAL MG2 2.865 . 3.891 3.173 2.920 3.500 . 0 0 "[ . 1]" 1
845 1 9 VAL HB 1 9 VAL QG 2.104 . 2.544 1.889 1.885 1.893 . 0 0 "[ . 1]" 1
846 1 16 ILE MD 1 22 PRO HG3 3.422 . 4.886 3.937 3.638 4.412 . 0 0 "[ . 1]" 1
847 1 16 ILE MD 1 22 PRO HG2 3.737 . 5.482 4.316 4.022 4.793 . 0 0 "[ . 1]" 1
848 1 16 ILE MD 1 16 ILE HG13 2.107 . 2.662 2.117 2.114 2.120 . 0 0 "[ . 1]" 1
849 1 16 ILE HG13 1 16 ILE MG 2.592 . 3.432 3.198 3.192 3.202 . 0 0 "[ . 1]" 1
850 1 26 ALA MB 1 40 VAL MG2 2.878 . 3.913 3.000 2.780 3.212 . 0 0 "[ . 1]" 1
851 1 5 THR MG 1 9 VAL QG 2.364 . 3.063 2.998 2.533 3.130 0.067 3 0 "[ . 1]" 1
852 1 16 ILE MD 1 16 ILE HG12 1.935 . 2.403 2.117 2.116 2.120 . 0 0 "[ . 1]" 1
853 1 21 CYS H 1 22 PRO HD2 4.469 . 6.965 4.810 4.728 4.894 . 0 0 "[ . 1]" 1
854 1 17 ARG H 1 18 SER HB3 4.260 . 6.528 5.220 4.776 6.185 . 0 0 "[ . 1]" 1
855 1 20 VAL MG2 1 21 CYS H 3.068 . 4.245 4.167 4.051 4.244 . 0 0 "[ . 1]" 1
856 1 5 THR MG 1 10 GLY H 4.259 . 6.526 5.960 5.830 6.079 . 0 0 "[ . 1]" 1
857 1 18 SER HB2 1 20 VAL H 4.403 . 6.827 3.841 3.100 4.222 . 0 0 "[ . 1]" 1
858 1 33 TRP HB3 1 35 GLN H 3.761 . 5.530 3.533 3.329 4.050 . 0 0 "[ . 1]" 1
859 1 32 SER HB3 1 35 GLN H 4.228 . 6.463 6.106 5.286 6.439 . 0 0 "[ . 1]" 1
860 1 7 ARG HG3 1 10 GLY H 4.662 . 7.378 5.624 5.564 5.704 . 0 0 "[ . 1]" 1
861 1 7 ARG HG2 1 10 GLY H 4.439 . 6.902 5.337 5.048 5.602 . 0 0 "[ . 1]" 1
862 1 35 GLN HA 1 36 LYS H 2.880 . 3.917 3.504 3.460 3.544 . 0 0 "[ . 1]" 1
863 1 28 PHE QD 1 38 CYS QB 4.644 . 7.340 2.465 2.186 2.826 . 0 0 "[ . 1]" 1
864 1 13 GLY HA3 1 40 VAL HB 4.435 . 6.894 4.119 4.062 4.224 . 0 0 "[ . 1]" 1
865 1 5 THR HG1 1 31 CYS HB3 3.812 . 5.628 4.047 3.525 4.406 . 0 0 "[ . 1]" 1
866 1 5 THR HG1 1 31 CYS HA 4.634 . 7.318 4.821 4.548 5.006 . 0 0 "[ . 1]" 1
867 1 5 THR HG1 1 32 SER HB3 4.338 . 6.690 3.141 2.964 3.423 . 0 0 "[ . 1]" 1
868 1 5 THR HG1 1 31 CYS HB2 4.828 . 7.742 5.743 5.265 6.052 . 0 0 "[ . 1]" 1
869 1 2 PRO HG2 1 5 THR HG1 4.484 . 6.997 2.176 2.051 2.357 . 0 0 "[ . 1]" 1
870 1 5 THR HG1 1 5 THR MG 3.219 . 4.514 2.094 2.073 2.116 . 0 0 "[ . 1]" 1
871 1 2 PRO HG3 1 5 THR HG1 4.258 . 6.524 3.946 3.827 4.121 . 0 0 "[ . 1]" 1
872 1 5 THR HA 1 5 THR HG1 4.621 . 7.290 3.016 2.926 3.158 . 0 0 "[ . 1]" 1
873 1 25 PHE QE 1 39 CYS HA 4.319 . 6.650 5.608 5.490 5.719 . 0 0 "[ . 1]" 1
874 1 36 LYS HA 1 37 THR H 4.339 . 6.692 2.211 2.176 2.283 . 0 0 "[ . 1]" 1
875 1 18 SER H 1 37 THR MG 4.220 . 6.446 5.242 4.958 5.490 . 0 0 "[ . 1]" 1
876 1 19 LYS H 1 37 THR MG 4.265 . 6.539 5.590 5.404 5.783 . 0 0 "[ . 1]" 1
877 1 17 ARG H 1 36 LYS HB2 3.858 . 6.000 6.112 6.067 6.155 0.155 9 0 "[ . 1]" 1
878 1 25 PHE H 1 26 ALA MB 4.247 . 6.502 4.959 4.893 5.010 . 0 0 "[ . 1]" 1
879 1 4 ASP HB2 1 30 THR H 4.400 . 6.820 4.771 4.508 5.027 . 0 0 "[ . 1]" 1
880 1 25 PHE HB3 1 27 ALA H 4.449 . 6.923 5.517 5.317 5.635 . 0 0 "[ . 1]" 1
881 1 30 THR H 1 38 CYS QB 4.867 . 7.828 3.936 3.540 4.491 . 0 0 "[ . 1]" 1
882 1 10 GLY H 1 11 TYR HB3 4.337 . 6.689 6.150 6.045 6.267 . 0 0 "[ . 1]" 1
883 1 25 PHE HB2 1 27 ALA H 4.466 . 6.959 6.262 6.142 6.378 . 0 0 "[ . 1]" 1
884 1 39 CYS H 1 40 VAL HA 4.604 . 7.254 4.994 4.950 5.084 . 0 0 "[ . 1]" 1
885 1 13 GLY HA2 1 39 CYS H 4.438 . 6.900 5.912 5.656 6.151 . 0 0 "[ . 1]" 1
886 1 28 PHE HA 1 28 PHE HZ 4.608 . 7.262 6.051 6.007 6.093 . 0 0 "[ . 1]" 1
887 1 5 THR HB 1 7 ARG H 4.442 . 6.909 4.658 4.441 4.938 . 0 0 "[ . 1]" 1
888 1 18 SER HB2 1 19 LYS H 4.821 . 7.726 3.853 3.525 4.072 . 0 0 "[ . 1]" 1
889 1 22 PRO HD2 1 23 LYS H 4.348 . 6.711 5.638 5.535 5.701 . 0 0 "[ . 1]" 1
890 1 13 GLY HA3 1 25 PHE QE 4.369 . 6.755 2.788 2.467 3.159 . 0 0 "[ . 1]" 1
891 1 11 TYR H 1 12 HIS HB2 4.398 . 6.816 6.380 6.329 6.445 . 0 0 "[ . 1]" 1
892 1 33 TRP HB2 1 33 TRP HZ3 4.255 . 6.518 6.444 6.425 6.456 . 0 0 "[ . 1]" 1
893 1 4 ASP HB3 1 7 ARG H 4.373 . 6.763 4.615 4.493 4.808 . 0 0 "[ . 1]" 1
894 1 25 PHE QE 1 40 VAL HB 2.801 . 6.000 4.887 4.755 5.089 . 0 0 "[ . 1]" 1
895 1 14 TYR H 1 40 VAL HB 4.566 . 7.173 5.740 5.627 5.844 . 0 0 "[ . 1]" 1
896 1 13 GLY H 1 40 VAL HB 4.613 . 7.273 5.544 5.500 5.657 . 0 0 "[ . 1]" 1
897 1 35 GLN H 1 36 LYS HB3 4.331 . 6.676 5.783 5.667 5.942 . 0 0 "[ . 1]" 1
898 1 31 CYS H 1 34 ARG HB3 4.426 . 6.875 6.862 6.565 7.103 0.228 1 0 "[ . 1]" 1
899 1 16 ILE HB 1 37 THR H 4.527 . 7.089 5.256 5.059 5.440 . 0 0 "[ . 1]" 1
900 1 33 TRP HE3 1 34 ARG HG2 4.117 . 6.236 5.226 4.917 5.827 . 0 0 "[ . 1]" 1
901 1 29 GLY HA2 1 30 THR H 3.899 . 5.800 3.328 3.237 3.394 . 0 0 "[ . 1]" 1
902 1 5 THR H 1 31 CYS HB2 4.119 . 6.240 6.316 6.232 6.356 0.116 5 0 "[ . 1]" 1
903 1 2 PRO HG3 1 33 TRP H 4.897 . 7.894 4.920 4.593 5.520 . 0 0 "[ . 1]" 1
904 1 2 PRO HB2 1 33 TRP H 4.326 . 6.666 3.047 2.853 3.316 . 0 0 "[ . 1]" 1
905 1 33 TRP H 1 33 TRP HD1 5.344 . 8.913 4.416 4.284 4.500 . 0 0 "[ . 1]" 1
906 1 4 ASP H 1 33 TRP H 5.061 . 8.262 3.202 2.650 3.672 . 0 0 "[ . 1]" 1
907 1 14 TYR H 1 40 VAL H 4.643 . 7.338 5.059 4.969 5.106 . 0 0 "[ . 1]" 1
908 1 3 ARG HB3 1 33 TRP HE1 4.723 . 7.512 6.654 6.245 6.856 . 0 0 "[ . 1]" 1
909 1 3 ARG HB2 1 33 TRP HE1 5.081 . 8.308 7.826 5.705 8.367 0.059 6 0 "[ . 1]" 1
910 1 38 CYS QB 1 39 CYS H 3.711 . 5.433 3.566 3.071 3.705 . 0 0 "[ . 1]" 1
911 1 14 TYR HB2 1 39 CYS H 4.023 . 6.046 5.620 5.543 5.700 . 0 0 "[ . 1]" 1
912 1 14 TYR HB3 1 39 CYS H 4.333 . 6.680 5.959 5.842 6.045 . 0 0 "[ . 1]" 1
913 1 14 TYR QE 1 40 VAL H 4.819 . 7.722 6.661 6.337 6.877 . 0 0 "[ . 1]" 1
914 1 14 TYR QD 1 40 VAL H 4.748 . 7.566 6.587 6.390 6.732 . 0 0 "[ . 1]" 1
915 1 26 ALA H 1 28 PHE HB2 4.708 . 7.479 5.029 4.925 5.312 . 0 0 "[ . 1]" 1
916 1 22 PRO HG3 1 25 PHE H 4.892 . 7.883 7.446 7.306 7.530 . 0 0 "[ . 1]" 1
917 1 17 ARG H 1 36 LYS HE3 3.980 . 5.960 3.054 2.788 3.543 . 0 0 "[ . 1]" 1
918 1 21 CYS H 1 25 PHE HB3 4.584 . 7.211 6.290 6.170 6.435 . 0 0 "[ . 1]" 1
919 1 17 ARG H 1 37 THR HB 4.690 . 7.440 6.582 6.281 6.940 . 0 0 "[ . 1]" 1
920 1 4 ASP H 1 6 SER H 3.353 . 4.758 4.678 4.522 4.839 0.081 4 0 "[ . 1]" 1
921 1 30 THR HA 1 35 GLN H 3.911 . 6.000 6.144 6.087 6.203 0.203 7 0 "[ . 1]" 1
922 1 14 TYR QE 1 22 PRO HD2 4.855 . 7.801 4.463 4.180 4.727 . 0 0 "[ . 1]" 1
923 1 13 GLY HA3 1 14 TYR QE 4.895 . 7.890 5.084 4.900 5.174 . 0 0 "[ . 1]" 1
924 1 15 CYS HA 1 37 THR HA 4.417 . 6.856 5.606 5.551 5.669 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 16
_Distance_constraint_stats_list.Viol_count 12
_Distance_constraint_stats_list.Viol_total 6.861
_Distance_constraint_stats_list.Viol_max 0.208
_Distance_constraint_stats_list.Viol_rms 0.0211
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.0572
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 14 TYR 0.000 0.000 . 0 "[ . 1]"
1 16 ILE 0.000 0.000 . 0 "[ . 1]"
1 26 ALA 0.014 0.007 2 0 "[ . 1]"
1 28 PHE 0.672 0.208 1 0 "[ . 1]"
1 37 THR 0.000 0.000 . 0 "[ . 1]"
1 38 CYS 0.672 0.208 1 0 "[ . 1]"
1 39 CYS 0.000 0.000 . 0 "[ . 1]"
1 40 VAL 0.014 0.007 2 0 "[ . 1]"
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 16 ILE H 1 37 THR O 2.200 . 2.700 2.084 1.921 2.247 . 0 0 "[ . 1]" 2
2 1 14 TYR H 1 39 CYS O 2.200 . 2.700 2.073 1.930 2.226 . 0 0 "[ . 1]" 2
3 1 14 TYR O 1 39 CYS H 2.200 . 2.700 1.878 1.807 1.939 . 0 0 "[ . 1]" 2
4 1 16 ILE O 1 37 THR H 2.200 . 2.700 2.019 1.839 2.325 . 0 0 "[ . 1]" 2
5 1 28 PHE O 1 38 CYS H 2.200 . 2.700 2.756 2.609 2.908 0.208 1 0 "[ . 1]" 2
6 1 28 PHE H 1 38 CYS O 2.200 . 2.700 1.772 1.705 1.799 0.025 4 0 "[ . 1]" 2
7 1 28 PHE O 1 38 CYS N 3.200 2.516 3.927 3.514 3.395 3.646 . 0 0 "[ . 1]" 2
8 1 16 ILE O 1 37 THR N 3.200 2.516 3.927 2.860 2.702 3.099 . 0 0 "[ . 1]" 2
9 1 28 PHE N 1 38 CYS O 3.200 2.516 3.927 2.686 2.670 2.708 . 0 0 "[ . 1]" 2
10 1 16 ILE N 1 37 THR O 3.200 2.516 3.927 3.062 2.906 3.228 . 0 0 "[ . 1]" 2
11 1 14 TYR O 1 39 CYS N 3.200 2.516 3.927 2.833 2.748 2.909 . 0 0 "[ . 1]" 2
12 1 14 TYR N 1 39 CYS O 3.200 2.516 3.927 3.003 2.883 3.107 . 0 0 "[ . 1]" 2
13 1 26 ALA O 1 40 VAL H 2.200 . 2.700 2.312 2.025 2.487 . 0 0 "[ . 1]" 2
14 1 26 ALA H 1 40 VAL O 2.200 . 2.700 2.084 1.762 2.707 0.007 2 0 "[ . 1]" 2
15 1 26 ALA O 1 40 VAL N 3.200 2.516 3.927 3.257 2.984 3.417 . 0 0 "[ . 1]" 2
16 1 26 ALA N 1 40 VAL O 3.200 2.516 3.927 2.987 2.705 3.573 . 0 0 "[ . 1]" 2
stop_
save_
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