NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
644544 |
6qeu   |
34350 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6qeu
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 1443
_Distance_constraint_stats_list.Viol_count 1464
_Distance_constraint_stats_list.Viol_total 1196.233
_Distance_constraint_stats_list.Viol_max 0.988
_Distance_constraint_stats_list.Viol_rms 0.0411
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0083
_Distance_constraint_stats_list.Viol_average_violations_only 0.0817
_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 1.257 0.131 8 0 "[ . 1]"
1 2 PRO 2.118 0.259 6 0 "[ . 1]"
1 3 ARG 0.279 0.068 9 0 "[ . 1]"
1 4 ASP 1.894 0.243 9 0 "[ . 1]"
1 5 THR 0.851 0.098 1 0 "[ . 1]"
1 6 SER 2.127 0.149 5 0 "[ . 1]"
1 7 ARG 2.181 0.146 2 0 "[ . 1]"
1 8 CYS 1.569 0.218 1 0 "[ . 1]"
1 9 VAL 0.656 0.098 1 0 "[ . 1]"
1 10 GLY 0.389 0.082 3 0 "[ . 1]"
1 11 TYR 3.240 0.149 3 0 "[ . 1]"
1 12 HIS 0.941 0.096 8 0 "[ . 1]"
1 13 GLY 2.037 0.157 2 0 "[ . 1]"
1 14 TYR 1.687 0.118 4 0 "[ . 1]"
1 15 CYS 1.264 0.248 3 0 "[ . 1]"
1 16 ILE 4.477 0.164 1 0 "[ . 1]"
1 17 ARG 1.876 0.358 4 0 "[ . 1]"
1 18 SER 4.797 0.492 8 0 "[ . 1]"
1 19 LYS 5.809 0.487 4 0 "[ . 1]"
1 20 VAL 6.877 0.492 8 0 "[ . 1]"
1 21 CYS 1.367 0.131 2 0 "[ . 1]"
1 22 PRO 0.185 0.034 5 0 "[ . 1]"
1 23 LYS 1.261 0.229 5 0 "[ . 1]"
1 24 PRO 4.339 0.314 2 0 "[ . 1]"
1 25 PHE 7.557 0.395 5 0 "[ . 1]"
1 26 ALA 3.399 0.261 5 0 "[ . 1]"
1 27 ALA 2.642 0.185 1 0 "[ . 1]"
1 28 PHE 6.014 0.256 6 0 "[ . 1]"
1 29 GLY 1.258 0.113 10 0 "[ . 1]"
1 30 THR 2.971 0.117 9 0 "[ . 1]"
1 31 CYS 0.373 0.079 7 0 "[ . 1]"
1 32 SER 0.000 0.000 . 0 "[ . 1]"
1 33 TRP 2.143 0.259 6 0 "[ . 1]"
1 34 ARG 3.327 0.178 9 0 "[ . 1]"
1 35 GLN 3.172 0.199 5 0 "[ . 1]"
1 36 LYS 4.501 0.214 4 0 "[ . 1]"
1 37 THR 1.575 0.185 1 0 "[ . 1]"
1 38 CYS 1.107 0.248 3 0 "[ . 1]"
1 39 CYS 0.880 0.075 4 0 "[ . 1]"
1 40 VAL 5.996 0.218 1 0 "[ . 1]"
1 41 ASP 8.450 0.759 9 4 "[ * - * +1]"
1 42 THR 4.021 0.256 6 0 "[ . 1]"
1 43 THR 8.275 0.825 8 5 "[ * - *+*1]"
1 44 SER 3.712 0.825 8 1 "[ . + 1]"
1 45 ASP 2.281 0.326 1 0 "[ . 1]"
1 46 PHE 9.559 0.477 8 0 "[ . 1]"
1 47 HIS 1.366 0.263 3 0 "[ . 1]"
1 48 THR 3.173 0.245 10 0 "[ . 1]"
1 49 CYS 4.824 0.988 7 2 "[ .-+ 1]"
1 50 GLN 4.863 0.405 2 0 "[ . 1]"
1 51 ASP 1.385 0.135 6 0 "[ . 1]"
1 52 LYS 2.903 0.245 10 0 "[ . 1]"
1 53 GLY 0.698 0.226 3 0 "[ . 1]"
1 54 GLY 3.152 0.988 7 2 "[ .-+ 1]"
1 55 HIS 1.639 0.227 3 0 "[ . 1]"
1 56 CYS 2.160 0.261 5 0 "[ . 1]"
1 57 VAL 5.752 0.261 5 0 "[ . 1]"
1 58 SER 3.907 0.953 1 2 "[+ . - 1]"
1 59 PRO 1.170 0.095 8 0 "[ . 1]"
1 60 LYS 0.053 0.053 4 0 "[ . 1]"
1 61 ILE 5.392 0.334 1 0 "[ . 1]"
1 62 ARG 3.836 0.330 4 0 "[ . 1]"
1 63 CYS 3.510 0.330 4 0 "[ . 1]"
1 64 LEU 1.574 0.310 8 0 "[ . 1]"
1 65 GLU 2.393 0.165 3 0 "[ . 1]"
1 66 GLU 0.193 0.087 2 0 "[ . 1]"
1 67 GLN 3.914 0.595 6 1 "[ .+ 1]"
1 68 LEU 2.753 0.277 5 0 "[ . 1]"
1 69 GLY 0.317 0.078 2 0 "[ . 1]"
1 70 LEU 2.491 0.944 8 2 "[ .- + 1]"
1 71 CYS 0.894 0.157 1 0 "[ . 1]"
1 72 PRO 0.059 0.059 8 0 "[ . 1]"
1 73 LEU 3.497 0.248 8 0 "[ . 1]"
1 74 LYS 3.692 0.944 8 2 "[ .- + 1]"
1 75 ARG 1.163 0.310 8 0 "[ . 1]"
1 76 TRP 11.491 0.953 1 2 "[+ . - 1]"
1 77 THR 0.888 0.084 5 0 "[ . 1]"
1 78 CYS 1.123 0.137 7 0 "[ . 1]"
1 79 CYS 0.139 0.087 2 0 "[ . 1]"
1 80 LYS 1.580 0.175 8 0 "[ . 1]"
1 81 GLU 1.227 0.186 8 0 "[ . 1]"
1 82 ILE 2.402 0.310 8 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 67 GLN QB 1 67 GLN QE 3.477 . 4.559 3.272 2.733 3.511 . 0 0 "[ . 1]" 1
2 1 40 VAL H 1 41 ASP H 3.558 . 5.140 4.023 3.989 4.051 . 0 0 "[ . 1]" 1
3 1 13 GLY H 1 40 VAL H 3.965 . 5.930 5.099 4.992 5.165 . 0 0 "[ . 1]" 1
4 1 36 LYS H 1 37 THR H 3.259 . 4.586 3.958 3.917 4.020 . 0 0 "[ . 1]" 1
5 1 4 ASP H 1 6 SER H 3.581 . 5.184 4.184 4.041 4.269 . 0 0 "[ . 1]" 1
6 1 73 LEU H 1 76 TRP HE1 3.895 . 5.792 4.736 4.703 4.794 . 0 0 "[ . 1]" 1
7 1 3 ARG H 1 4 ASP H 2.497 . 3.276 2.278 2.214 2.338 . 0 0 "[ . 1]" 1
8 1 31 CYS H 1 32 SER H 2.243 . 2.872 2.510 2.449 2.640 . 0 0 "[ . 1]" 1
9 1 45 ASP H 1 47 HIS HD2 3.990 . 5.980 4.813 3.968 6.243 0.263 3 0 "[ . 1]" 1
10 1 45 ASP H 1 46 PHE QE 4.062 . 6.125 3.809 3.225 4.001 . 0 0 "[ . 1]" 1
11 1 53 GLY H 1 67 GLN QE 3.755 . 5.518 2.992 2.324 3.598 . 0 0 "[ . 1]" 1
12 1 71 CYS HA 1 78 CYS H 3.974 . 5.948 4.547 4.283 4.825 . 0 0 "[ . 1]" 1
13 1 66 GLU H 1 66 GLU HA 2.217 . 2.831 2.026 1.976 2.086 . 0 0 "[ . 1]" 1
14 1 13 GLY HA2 1 14 TYR H 2.210 . 2.821 2.444 2.365 2.510 . 0 0 "[ . 1]" 1
15 1 16 ILE H 1 37 THR HA 3.617 . 5.252 4.762 4.639 4.851 . 0 0 "[ . 1]" 1
16 1 19 LYS HA 1 28 PHE H 3.780 . 5.566 5.161 5.034 5.340 . 0 0 "[ . 1]" 1
17 1 19 LYS HA 1 21 CYS H 1.864 . 6.000 2.690 2.658 2.729 . 0 0 "[ . 1]" 1
18 1 30 THR HA 1 32 SER H 3.400 . 4.845 4.491 4.384 4.651 . 0 0 "[ . 1]" 1
19 1 45 ASP H 1 45 ASP HA 2.082 . 2.624 2.687 2.664 2.703 0.079 1 0 "[ . 1]" 1
20 1 35 GLN H 1 35 GLN HA 2.287 . 2.941 2.522 2.491 2.539 . 0 0 "[ . 1]" 1
21 1 62 ARG H 1 62 ARG HA 2.325 . 3.001 2.562 2.541 2.612 . 0 0 "[ . 1]" 1
22 1 43 THR HA 1 44 SER H 1.962 . 6.000 3.014 2.088 3.304 . 0 0 "[ . 1]" 1
23 1 19 LYS HA 1 20 VAL H 2.302 . 2.965 2.605 2.575 2.637 . 0 0 "[ . 1]" 1
24 1 17 ARG HA 1 18 SER H 2.087 . 6.000 2.789 2.720 2.813 . 0 0 "[ . 1]" 1
25 1 4 ASP HA 1 5 THR H 3.080 . 4.266 2.941 2.899 2.989 . 0 0 "[ . 1]" 1
26 1 43 THR HA 1 45 ASP H 3.345 . 4.743 4.392 3.957 4.635 . 0 0 "[ . 1]" 1
27 1 28 PHE QD 1 48 THR HA 3.498 . 5.027 5.034 4.512 5.272 0.245 10 0 "[ . 1]" 1
28 1 42 THR HB 1 46 PHE QE 3.365 . 4.780 4.309 4.054 4.664 . 0 0 "[ . 1]" 1
29 1 3 ARG HA 1 3 ARG HE 3.544 . 5.114 4.361 3.787 4.600 . 0 0 "[ . 1]" 1
30 1 4 ASP H 1 6 SER QB 3.438 . 6.000 6.052 5.830 6.149 0.149 5 0 "[ . 1]" 1
31 1 6 SER QB 1 8 CYS H 2.989 . 6.000 4.943 4.789 5.067 . 0 0 "[ . 1]" 1
32 1 6 SER H 1 6 SER QB 2.021 . 2.532 2.245 2.218 2.261 . 0 0 "[ . 1]" 1
33 1 6 SER QB 1 7 ARG H 2.573 . 3.400 2.801 2.526 2.939 . 0 0 "[ . 1]" 1
34 1 53 GLY H 1 53 GLY HA2 2.144 . 2.719 2.270 2.194 2.356 . 0 0 "[ . 1]" 1
35 1 10 GLY H 1 10 GLY QA 1.946 . 2.419 2.243 2.229 2.257 . 0 0 "[ . 1]" 1
36 1 5 THR H 1 6 SER QB 3.788 . 5.581 4.384 4.251 4.511 . 0 0 "[ . 1]" 1
37 1 11 TYR H 1 12 HIS HB2 3.782 . 5.570 5.075 4.932 5.164 . 0 0 "[ . 1]" 1
38 1 2 PRO HD3 1 33 TRP HD1 3.829 . 5.662 4.798 3.063 5.794 0.132 2 0 "[ . 1]" 1
39 1 24 PRO HD3 1 25 PHE HZ 3.634 . 5.285 5.415 5.363 5.462 0.177 9 0 "[ . 1]" 1
40 1 24 PRO HD3 1 25 PHE QE 2.916 . 3.979 3.962 3.904 4.005 0.026 9 0 "[ . 1]" 1
41 1 32 SER QB 1 33 TRP HE3 3.423 . 4.888 3.743 3.499 3.879 . 0 0 "[ . 1]" 1
42 1 17 ARG QD 1 17 ARG HE 2.195 . 2.797 2.190 2.127 2.217 . 0 0 "[ . 1]" 1
43 1 7 ARG QD 1 7 ARG HE 2.641 . 3.513 2.436 2.340 2.488 . 0 0 "[ . 1]" 1
44 1 3 ARG QD 1 33 TRP HZ3 3.322 . 4.702 3.922 3.401 4.705 0.003 7 0 "[ . 1]" 1
45 1 34 ARG QD 1 34 ARG HE 2.531 . 3.332 2.445 2.288 2.494 . 0 0 "[ . 1]" 1
46 1 7 ARG QD 1 11 TYR QE 3.044 . 4.202 3.790 3.018 4.278 0.076 7 0 "[ . 1]" 1
47 1 14 TYR QB 1 14 TYR QD 1.982 . 2.473 2.134 2.131 2.136 . 0 0 "[ . 1]" 1
48 1 46 PHE QB 1 46 PHE QE 2.983 . 4.095 3.444 2.961 3.771 . 0 0 "[ . 1]" 1
49 1 46 PHE QB 1 46 PHE HZ 3.848 . 5.699 4.117 3.957 4.576 . 0 0 "[ . 1]" 1
50 1 3 ARG H 1 36 LYS QE 3.747 . 5.502 5.177 4.951 5.344 . 0 0 "[ . 1]" 1
51 1 7 ARG QD 1 8 CYS H 3.345 . 4.744 3.121 2.865 3.283 . 0 0 "[ . 1]" 1
52 1 7 ARG H 1 7 ARG QD 3.216 . 4.509 4.160 4.023 4.303 . 0 0 "[ . 1]" 1
53 1 8 CYS QB 1 31 CYS H 3.209 . 4.496 4.091 3.742 4.358 . 0 0 "[ . 1]" 1
54 1 19 LYS QE 1 20 VAL H 3.829 . 5.662 5.437 4.506 5.801 0.139 10 0 "[ . 1]" 1
55 1 23 LYS H 1 24 PRO HD3 3.799 . 5.603 4.358 4.263 4.448 . 0 0 "[ . 1]" 1
56 1 3 ARG QD 1 4 ASP H 3.738 . 5.485 4.264 4.035 4.506 . 0 0 "[ . 1]" 1
57 1 62 ARG H 1 62 ARG QD 3.430 . 4.900 3.279 2.309 4.767 . 0 0 "[ . 1]" 1
58 1 75 ARG H 1 75 ARG QD 3.198 . 4.476 3.783 1.894 4.484 0.026 8 0 "[ . 1]" 1
59 1 14 TYR QB 1 39 CYS H 3.573 . 5.169 4.676 4.563 4.804 . 0 0 "[ . 1]" 1
60 1 49 CYS H 1 78 CYS HB2 3.683 . 6.000 5.872 5.337 6.137 0.137 7 0 "[ . 1]" 1
61 1 14 TYR QB 1 15 CYS H 2.324 . 2.999 2.100 1.965 2.456 . 0 0 "[ . 1]" 1
62 1 14 TYR H 1 14 TYR QB 2.618 . 3.475 2.729 2.665 2.778 . 0 0 "[ . 1]" 1
63 1 49 CYS H 1 49 CYS HB2 2.635 . 3.503 3.038 2.293 3.293 . 0 0 "[ . 1]" 1
64 1 32 SER H 1 36 LYS QE 3.339 . 4.732 3.868 3.113 4.285 . 0 0 "[ . 1]" 1
65 1 21 CYS H 1 21 CYS QB 2.228 . 2.849 2.534 2.509 2.576 . 0 0 "[ . 1]" 1
66 1 13 GLY H 1 28 PHE HB3 3.779 . 6.000 6.016 5.798 6.157 0.157 2 0 "[ . 1]" 1
67 1 45 ASP H 1 45 ASP HB3 2.578 . 3.409 2.827 2.488 3.407 . 0 0 "[ . 1]" 1
68 1 21 CYS QB 1 27 ALA H 2.814 . 3.804 3.224 3.065 3.375 . 0 0 "[ . 1]" 1
69 1 29 GLY H 1 38 CYS HB2 3.676 . 5.365 4.834 4.548 5.163 . 0 0 "[ . 1]" 1
70 1 28 PHE HB3 1 28 PHE HZ 3.331 . 6.000 4.314 3.082 4.988 . 0 0 "[ . 1]" 1
71 1 59 PRO QB 1 61 ILE H 3.460 . 4.957 4.787 4.459 4.929 . 0 0 "[ . 1]" 1
72 1 59 PRO QB 1 60 LYS H 3.253 . 4.576 3.454 2.504 3.650 . 0 0 "[ . 1]" 1
73 1 7 ARG QB 1 11 TYR QE 3.305 . 4.670 4.057 3.833 4.333 . 0 0 "[ . 1]" 1
74 1 7 ARG QB 1 11 TYR QD 3.615 . 5.249 4.116 4.028 4.274 . 0 0 "[ . 1]" 1
75 1 50 GLN HB3 1 50 GLN QE 3.327 . 4.710 3.041 1.840 3.610 0.104 8 0 "[ . 1]" 1
76 1 59 PRO QG 1 60 LYS H 2.417 . 3.147 2.501 2.291 2.677 . 0 0 "[ . 1]" 1
77 1 65 GLU H 1 65 GLU QB 2.770 . 3.729 2.772 2.584 2.996 . 0 0 "[ . 1]" 1
78 1 52 LYS HB3 1 53 GLY H 2.966 . 4.066 3.735 3.192 4.123 0.057 5 0 "[ . 1]" 1
79 1 7 ARG H 1 7 ARG QB 2.382 . 3.091 2.177 2.114 2.257 . 0 0 "[ . 1]" 1
80 1 34 ARG HB2 1 35 GLN H 2.365 . 6.000 2.551 2.483 2.598 . 0 0 "[ . 1]" 1
81 1 74 LYS QB 1 76 TRP H 3.256 . 4.581 4.557 4.460 4.645 0.064 10 0 "[ . 1]" 1
82 1 52 LYS HB2 1 53 GLY H 2.889 . 3.932 3.272 2.973 4.158 0.226 3 0 "[ . 1]" 1
83 1 19 LYS QD 1 20 VAL H 3.688 . 5.388 4.506 3.930 5.617 0.229 6 0 "[ . 1]" 1
84 1 3 ARG HB3 1 33 TRP HE3 3.346 . 4.745 4.376 4.107 4.517 . 0 0 "[ . 1]" 1
85 1 2 PRO HG2 1 33 TRP HZ2 3.280 . 6.000 5.033 4.675 5.302 . 0 0 "[ . 1]" 1
86 1 2 PRO HG2 1 3 ARG H 3.801 . 5.607 3.688 3.579 3.742 . 0 0 "[ . 1]" 1
87 1 33 TRP HE3 1 36 LYS HD2 3.529 . 5.086 5.164 4.964 5.300 0.214 4 0 "[ . 1]" 1
88 1 52 LYS HD2 1 53 GLY H 3.611 . 5.241 4.149 3.004 4.485 . 0 0 "[ . 1]" 1
89 1 7 ARG QB 1 8 CYS H 2.416 . 3.146 2.467 2.392 2.547 . 0 0 "[ . 1]" 1
90 1 6 SER H 1 7 ARG QB 3.377 . 4.802 4.239 4.073 4.410 . 0 0 "[ . 1]" 1
91 1 21 CYS QB 1 26 ALA H 3.161 . 4.410 3.852 3.704 4.045 . 0 0 "[ . 1]" 1
92 1 15 CYS HB3 1 16 ILE H 2.916 . 3.979 3.893 3.807 4.054 0.075 4 0 "[ . 1]" 1
93 1 21 CYS QB 1 25 PHE H 3.107 . 4.314 4.217 4.069 4.306 . 0 0 "[ . 1]" 1
94 1 23 LYS QB 1 25 PHE H 2.899 . 3.950 3.648 3.235 3.912 . 0 0 "[ . 1]" 1
95 1 26 ALA H 1 40 VAL HB 3.377 . 4.803 4.858 4.652 4.913 0.110 1 0 "[ . 1]" 1
96 1 26 ALA H 1 41 ASP HB2 3.803 . 5.611 5.797 5.735 5.872 0.261 5 0 "[ . 1]" 1
97 1 19 LYS HB3 1 21 CYS H 2.649 . 6.000 3.694 3.598 3.800 . 0 0 "[ . 1]" 1
98 1 65 GLU QB 1 80 LYS H 2.974 . 6.000 4.618 4.312 4.934 . 0 0 "[ . 1]" 1
99 1 67 GLN H 1 67 GLN QB 2.565 . 3.388 2.298 2.194 2.405 . 0 0 "[ . 1]" 1
100 1 66 GLU HB3 1 67 GLN H 2.824 . 6.000 3.842 3.607 3.928 . 0 0 "[ . 1]" 1
101 1 23 LYS H 1 23 LYS QB 1.978 . 2.467 2.428 2.321 2.601 0.134 5 0 "[ . 1]" 1
102 1 55 HIS H 1 67 GLN QB 3.461 . 4.959 4.354 4.021 4.929 . 0 0 "[ . 1]" 1
103 1 74 LYS H 1 74 LYS QB 2.066 . 2.600 2.328 2.189 2.473 . 0 0 "[ . 1]" 1
104 1 23 LYS H 1 23 LYS QD 2.446 . 3.194 2.938 1.934 3.392 0.198 6 0 "[ . 1]" 1
105 1 7 ARG HG2 1 10 GLY H 3.711 . 5.433 4.258 3.989 4.768 . 0 0 "[ . 1]" 1
106 1 36 LYS H 1 36 LYS QD 2.777 . 3.741 3.540 2.529 3.936 0.195 1 0 "[ . 1]" 1
107 1 62 ARG H 1 62 ARG QB 2.178 . 2.771 2.436 2.379 2.549 . 0 0 "[ . 1]" 1
108 1 3 ARG QG 1 4 ASP H 3.408 . 4.860 3.526 3.319 3.788 . 0 0 "[ . 1]" 1
109 1 80 LYS QG 1 81 GLU H 3.342 . 4.738 3.633 3.454 4.064 . 0 0 "[ . 1]" 1
110 1 31 CYS H 1 36 LYS QG 3.501 . 5.034 3.335 2.809 3.735 . 0 0 "[ . 1]" 1
111 1 52 LYS QG 1 53 GLY H 3.376 . 4.801 4.098 2.779 4.451 . 0 0 "[ . 1]" 1
112 1 68 LEU H 1 68 LEU QB 2.599 . 3.443 2.907 2.682 2.978 . 0 0 "[ . 1]" 1
113 1 60 LYS H 1 60 LYS QG 2.554 . 3.369 2.341 1.852 3.422 0.053 4 0 "[ . 1]" 1
114 1 3 ARG HB3 1 3 ARG HE 2.834 . 3.838 3.301 2.861 3.585 . 0 0 "[ . 1]" 1
115 1 74 LYS QB 1 76 TRP HD1 2.800 . 6.000 5.228 4.939 5.531 . 0 0 "[ . 1]" 1
116 1 17 ARG HE 1 17 ARG QG 2.819 . 3.813 2.364 2.124 2.885 . 0 0 "[ . 1]" 1
117 1 52 LYS HD2 1 67 GLN QE 3.665 . 5.344 2.826 1.829 3.456 0.157 3 0 "[ . 1]" 1
118 1 67 GLN QE 1 80 LYS QG 3.446 . 4.827 3.116 1.903 4.030 0.059 5 0 "[ . 1]" 1
119 1 50 GLN QE 1 68 LEU QB 3.622 . 5.262 5.072 4.492 5.299 0.037 6 0 "[ . 1]" 1
120 1 25 PHE QD 1 26 ALA MB 3.403 . 4.851 4.435 4.099 4.980 0.129 1 0 "[ . 1]" 1
121 1 24 PRO HB2 1 25 PHE QD 2.982 . 4.094 4.232 4.124 4.408 0.314 2 0 "[ . 1]" 1
122 1 24 PRO HB2 1 25 PHE QE 3.261 . 6.000 5.294 5.002 5.599 . 0 0 "[ . 1]" 1
123 1 30 THR MG 1 31 CYS H 2.658 . 6.000 3.689 3.627 3.749 . 0 0 "[ . 1]" 1
124 1 43 THR MG 1 45 ASP H 3.640 . 5.297 3.745 2.608 5.376 0.079 1 0 "[ . 1]" 1
125 1 57 VAL QG 1 76 TRP HZ3 3.060 . 4.231 4.325 4.291 4.372 0.141 8 0 "[ . 1]" 1
126 1 57 VAL QG 1 58 SER H 2.585 . 3.420 3.388 3.349 3.428 0.008 9 0 "[ . 1]" 1
127 1 57 VAL QG 1 61 ILE H 2.986 . 4.101 4.148 4.117 4.187 0.086 8 0 "[ . 1]" 1
128 1 40 VAL MG1 1 45 ASP H 3.479 . 6.000 4.461 4.126 5.250 . 0 0 "[ . 1]" 1
129 1 29 GLY H 1 30 THR MG 3.058 . 4.227 3.688 3.296 4.240 0.013 3 0 "[ . 1]" 1
130 1 36 LYS H 1 36 LYS QG 2.778 . 3.742 1.917 1.761 2.226 0.053 2 0 "[ . 1]" 1
131 1 62 ARG QB 1 63 CYS H 2.802 . 3.783 3.729 3.708 3.763 . 0 0 "[ . 1]" 1
132 1 47 HIS HE1 1 68 LEU QB 3.820 . 5.644 5.619 5.208 5.871 0.227 3 0 "[ . 1]" 1
133 1 74 LYS QG 1 75 ARG H 3.292 . 4.647 4.088 3.730 4.378 . 0 0 "[ . 1]" 1
134 1 80 LYS H 1 80 LYS QG 2.764 . 6.000 3.983 3.950 4.047 . 0 0 "[ . 1]" 1
135 1 16 ILE HG13 1 37 THR H 3.124 . 4.344 3.297 3.179 3.450 . 0 0 "[ . 1]" 1
136 1 23 LYS QD 1 25 PHE H 3.867 . 5.736 4.313 2.329 5.374 . 0 0 "[ . 1]" 1
137 1 23 LYS QG 1 25 PHE H 3.758 . 5.523 3.778 3.062 4.762 . 0 0 "[ . 1]" 1
138 1 16 ILE H 1 36 LYS QG 3.727 . 5.463 5.511 5.349 5.627 0.164 1 0 "[ . 1]" 1
139 1 36 LYS QG 1 37 THR H 3.210 . 4.498 4.052 3.764 4.366 . 0 0 "[ . 1]" 1
140 1 59 PRO QG 1 76 TRP HE1 3.254 . 6.000 4.812 4.488 4.922 . 0 0 "[ . 1]" 1
141 1 57 VAL H 1 57 VAL QG 2.180 . 2.774 2.121 2.062 2.161 . 0 0 "[ . 1]" 1
142 1 16 ILE MD 1 39 CYS H 3.703 . 5.417 4.712 4.585 4.918 . 0 0 "[ . 1]" 1
143 1 57 VAL QG 1 79 CYS H 2.870 . 3.900 3.504 3.305 3.629 . 0 0 "[ . 1]" 1
144 1 57 VAL QG 1 77 THR H 2.714 . 3.635 3.085 3.017 3.204 . 0 0 "[ . 1]" 1
145 1 57 VAL QG 1 63 CYS H 3.169 . 4.425 3.625 3.479 3.725 . 0 0 "[ . 1]" 1
146 1 14 TYR H 1 40 VAL MG2 3.199 . 4.478 4.120 3.962 4.212 . 0 0 "[ . 1]" 1
147 1 70 LEU H 1 70 LEU QD 2.814 . 3.804 3.820 3.710 3.875 0.071 1 0 "[ . 1]" 1
148 1 14 TYR HA 1 14 TYR QE 3.342 . 4.738 4.678 4.576 4.739 0.001 10 0 "[ . 1]" 1
149 1 14 TYR QB 1 14 TYR QE 3.121 . 4.339 3.931 3.929 3.934 . 0 0 "[ . 1]" 1
150 1 14 TYR QE 1 22 PRO HB2 4.098 . 6.197 5.137 4.626 5.874 . 0 0 "[ . 1]" 1
151 1 26 ALA MB 1 39 CYS HA 3.028 . 4.174 4.132 4.061 4.194 0.020 3 0 "[ . 1]" 1
152 1 15 CYS HA 1 36 LYS QG 3.727 . 5.463 4.596 4.316 5.210 . 0 0 "[ . 1]" 1
153 1 56 CYS HA 1 57 VAL QG 2.651 . 3.529 3.304 3.262 3.382 . 0 0 "[ . 1]" 1
154 1 67 GLN HG3 1 79 CYS HA 3.754 . 5.516 5.102 4.617 5.363 . 0 0 "[ . 1]" 1
155 1 65 GLU QB 1 79 CYS HA 3.036 . 4.188 3.236 3.038 3.615 . 0 0 "[ . 1]" 1
156 1 71 CYS HA 1 72 PRO HB2 3.629 . 5.275 4.332 4.189 4.392 . 0 0 "[ . 1]" 1
157 1 57 VAL QG 1 79 CYS HA 3.203 . 4.485 4.042 3.768 4.321 . 0 0 "[ . 1]" 1
158 1 24 PRO HA 1 24 PRO HD3 3.391 . 4.828 3.700 3.687 3.711 . 0 0 "[ . 1]" 1
159 1 67 GLN HA 1 80 LYS QE 3.334 . 4.723 3.426 2.423 4.836 0.113 5 0 "[ . 1]" 1
160 1 14 TYR HA 1 14 TYR QB 2.087 . 2.631 2.180 2.176 2.187 . 0 0 "[ . 1]" 1
161 1 25 PHE HA 1 25 PHE HB3 2.495 . 3.273 2.390 2.359 2.417 . 0 0 "[ . 1]" 1
162 1 21 CYS HA 1 21 CYS QB 2.402 . 3.123 2.323 2.308 2.346 . 0 0 "[ . 1]" 1
163 1 21 CYS QB 1 26 ALA HA 2.677 . 3.573 3.210 3.042 3.476 . 0 0 "[ . 1]" 1
164 1 67 GLN HA 1 67 GLN QB 2.424 . 3.158 2.385 2.299 2.525 . 0 0 "[ . 1]" 1
165 1 66 GLU HA 1 66 GLU HB3 2.710 . 3.628 2.406 2.144 2.582 . 0 0 "[ . 1]" 1
166 1 23 LYS QB 1 24 PRO HA 2.386 . 3.098 2.694 2.105 3.023 . 0 0 "[ . 1]" 1
167 1 24 PRO HB3 1 25 PHE HA 3.194 . 4.469 4.460 4.176 4.564 0.095 8 0 "[ . 1]" 1
168 1 23 LYS QD 1 24 PRO HA 3.049 . 4.211 4.030 2.887 4.440 0.229 5 0 "[ . 1]" 1
169 1 23 LYS QG 1 24 PRO HA 3.198 . 4.476 2.772 2.205 4.054 . 0 0 "[ . 1]" 1
170 1 67 GLN HA 1 80 LYS QG 2.915 . 3.977 3.835 2.875 4.152 0.175 8 0 "[ . 1]" 1
171 1 26 ALA HA 1 42 THR MG 3.308 . 4.676 3.696 3.626 3.758 . 0 0 "[ . 1]" 1
172 1 57 VAL HA 1 57 VAL QG 2.107 . 2.662 2.308 2.284 2.328 . 0 0 "[ . 1]" 1
173 1 57 VAL QG 1 63 CYS HA 2.908 . 3.965 3.851 3.753 3.911 . 0 0 "[ . 1]" 1
174 1 16 ILE MG 1 17 ARG HA 2.825 . 6.000 5.248 5.201 5.302 . 0 0 "[ . 1]" 1
175 1 8 CYS HA 1 40 VAL MG1 3.064 . 6.000 5.899 5.499 6.218 0.218 1 0 "[ . 1]" 1
176 1 40 VAL MG2 1 41 ASP HA 2.688 . 3.591 3.450 3.359 3.550 . 0 0 "[ . 1]" 1
177 1 17 ARG HA 1 36 LYS QG 3.225 . 6.000 4.763 4.488 5.220 . 0 0 "[ . 1]" 1
178 1 23 LYS HA 1 23 LYS QG 2.995 . 4.116 2.738 2.319 3.420 . 0 0 "[ . 1]" 1
179 1 52 LYS HA 1 52 LYS HD2 2.471 . 3.234 2.167 1.881 2.714 . 0 0 "[ . 1]" 1
180 1 80 LYS HA 1 80 LYS QG 2.666 . 3.555 2.355 2.257 2.444 . 0 0 "[ . 1]" 1
181 1 68 LEU HA 1 68 LEU QB 2.515 . 3.305 2.483 2.409 2.522 . 0 0 "[ . 1]" 1
182 1 33 TRP HA 1 36 LYS QD 2.779 . 6.000 4.737 4.185 5.482 . 0 0 "[ . 1]" 1
183 1 17 ARG HA 1 36 LYS QD 3.464 . 4.964 4.816 4.275 5.146 0.182 2 0 "[ . 1]" 1
184 1 23 LYS HA 1 23 LYS QB 2.351 . 3.042 2.312 2.155 2.464 . 0 0 "[ . 1]" 1
185 1 17 ARG HA 1 17 ARG QG 2.540 . 3.346 2.575 2.420 3.341 . 0 0 "[ . 1]" 1
186 1 65 GLU HA 1 65 GLU QB 2.356 . 3.050 2.159 2.141 2.172 . 0 0 "[ . 1]" 1
187 1 50 GLN HB2 1 51 ASP HA 3.636 . 5.289 4.418 4.205 4.644 . 0 0 "[ . 1]" 1
188 1 80 LYS HA 1 80 LYS QD 2.988 . 4.104 3.852 2.845 4.191 0.087 10 0 "[ . 1]" 1
189 1 62 ARG HA 1 62 ARG QB 2.410 . 3.136 2.419 2.387 2.453 . 0 0 "[ . 1]" 1
190 1 61 ILE HB 1 62 ARG HA 3.228 . 4.531 4.137 4.012 4.309 . 0 0 "[ . 1]" 1
191 1 3 ARG HA 1 3 ARG QG 2.399 . 3.118 2.501 2.442 2.547 . 0 0 "[ . 1]" 1
192 1 64 LEU HB3 1 82 ILE HA 3.121 . 6.000 5.327 4.706 6.310 0.310 8 0 "[ . 1]" 1
193 1 60 LYS HA 1 60 LYS QB 2.185 . 2.782 2.053 1.997 2.135 . 0 0 "[ . 1]" 1
194 1 59 PRO HA 1 59 PRO QB 2.259 . 2.897 2.177 2.161 2.233 . 0 0 "[ . 1]" 1
195 1 19 LYS HA 1 21 CYS QB 2.318 . 6.000 4.197 4.119 4.305 . 0 0 "[ . 1]" 1
196 1 7 ARG HA 1 7 ARG QB 2.558 . 3.376 2.293 2.246 2.323 . 0 0 "[ . 1]" 1
197 1 70 LEU HA 1 78 CYS HB2 3.501 . 5.033 3.791 3.503 3.950 . 0 0 "[ . 1]" 1
198 1 34 ARG QD 1 35 GLN HA 2.451 . 3.202 3.036 2.762 3.252 0.050 1 0 "[ . 1]" 1
199 1 62 ARG HA 1 62 ARG QD 3.127 . 4.349 3.368 2.827 3.999 . 0 0 "[ . 1]" 1
200 1 51 ASP HA 1 53 GLY HA2 2.915 . 6.000 4.446 4.289 4.604 . 0 0 "[ . 1]" 1
201 1 6 SER HA 1 6 SER QB 1.834 . 2.255 2.362 2.333 2.379 0.124 5 0 "[ . 1]" 1
202 1 75 ARG HA 1 75 ARG QD 2.916 . 3.979 3.822 2.685 4.169 0.190 7 0 "[ . 1]" 1
203 1 3 ARG HA 1 3 ARG QD 3.036 . 4.188 4.099 4.008 4.253 0.065 2 0 "[ . 1]" 1
204 1 7 ARG QD 1 8 CYS QB 2.479 . 3.247 3.264 3.181 3.348 0.101 5 0 "[ . 1]" 1
205 1 21 CYS QB 1 25 PHE HB2 2.511 . 3.299 2.571 2.426 2.720 . 0 0 "[ . 1]" 1
206 1 21 CYS QB 1 22 PRO HD2 2.664 . 3.551 2.776 2.662 2.921 . 0 0 "[ . 1]" 1
207 1 21 CYS QB 1 22 PRO HD3 2.914 . 3.975 3.949 3.879 3.999 0.024 5 0 "[ . 1]" 1
208 1 34 ARG QD 1 35 GLN HG2 3.504 . 5.038 4.671 3.968 5.141 0.103 4 0 "[ . 1]" 1
209 1 75 ARG HB2 1 75 ARG QD 2.698 . 3.608 2.902 2.432 3.474 . 0 0 "[ . 1]" 1
210 1 34 ARG HB3 1 34 ARG QD 2.977 . 4.085 2.502 2.183 2.813 . 0 0 "[ . 1]" 1
211 1 34 ARG HB2 1 34 ARG QD 2.761 . 3.714 3.401 3.202 3.553 . 0 0 "[ . 1]" 1
212 1 17 ARG HB2 1 17 ARG QD 2.828 . 3.828 2.660 2.399 2.988 . 0 0 "[ . 1]" 1
213 1 3 ARG HB2 1 3 ARG QD 2.808 . 3.794 2.631 2.380 3.187 . 0 0 "[ . 1]" 1
214 1 3 ARG HB3 1 3 ARG QD 2.085 . 2.629 2.342 2.276 2.479 . 0 0 "[ . 1]" 1
215 1 17 ARG HB3 1 17 ARG QD 2.213 . 2.825 2.540 2.370 2.880 0.055 6 0 "[ . 1]" 1
216 1 17 ARG QD 1 17 ARG HG3 2.089 . 2.634 1.847 1.831 1.880 . 0 0 "[ . 1]" 1
217 1 34 ARG QD 1 34 ARG HG3 2.380 . 3.088 2.331 2.244 2.374 . 0 0 "[ . 1]" 1
218 1 62 ARG QB 1 62 ARG QD 2.784 . 3.753 2.399 2.150 2.675 . 0 0 "[ . 1]" 1
219 1 3 ARG QG 1 32 SER QB 2.932 . 6.000 4.796 4.544 5.021 . 0 0 "[ . 1]" 1
220 1 1 LEU HG 1 6 SER QB 3.296 . 4.654 4.362 3.976 4.693 0.039 3 0 "[ . 1]" 1
221 1 1 LEU QB 1 6 SER QB 2.874 . 3.907 3.025 2.545 3.406 . 0 0 "[ . 1]" 1
222 1 5 THR MG 1 6 SER QB 3.181 . 4.446 4.085 3.950 4.241 . 0 0 "[ . 1]" 1
223 1 74 LYS HA 1 74 LYS QG 2.598 . 3.442 2.883 2.559 3.024 . 0 0 "[ . 1]" 1
224 1 1 LEU QD 1 6 SER QB 2.879 . 3.915 2.379 2.040 2.777 . 0 0 "[ . 1]" 1
225 1 32 SER QB 1 36 LYS QG 3.116 . 4.329 3.778 3.351 4.089 . 0 0 "[ . 1]" 1
226 1 58 SER HB2 1 60 LYS QG 3.441 . 4.921 3.471 2.557 4.889 . 0 0 "[ . 1]" 1
227 1 24 PRO HB2 1 24 PRO HD3 2.638 . 3.508 3.426 3.305 3.480 . 0 0 "[ . 1]" 1
228 1 30 THR MG 1 34 ARG QD 2.716 . 3.638 3.401 3.120 3.678 0.040 9 0 "[ . 1]" 1
229 1 62 ARG QD 1 62 ARG QG 2.747 . 3.384 2.040 2.000 2.089 . 0 0 "[ . 1]" 1
230 1 34 ARG QD 1 34 ARG HG2 2.408 . 3.133 2.250 2.163 2.435 . 0 0 "[ . 1]" 1
231 1 17 ARG QG 1 19 LYS QE 2.331 . 6.000 5.947 5.649 6.119 0.119 4 0 "[ . 1]" 1
232 1 80 LYS QD 1 80 LYS QE 2.180 . 2.774 2.039 1.998 2.089 . 0 0 "[ . 1]" 1
233 1 70 LEU HB2 1 74 LYS QE 2.907 . 6.000 5.799 4.954 6.944 0.944 8 2 "[ .- + 1]" 1
234 1 19 LYS QE 1 19 LYS HG3 3.053 . 4.218 2.618 2.180 3.312 . 0 0 "[ . 1]" 1
235 1 80 LYS HE2 1 80 LYS HG2 2.553 . 3.368 2.447 2.121 3.195 . 0 0 "[ . 1]" 1
236 1 57 VAL QG 1 63 CYS HB2 2.270 . 2.914 2.642 2.382 2.838 . 0 0 "[ . 1]" 1
237 1 61 ILE MG 1 62 ARG QD 3.168 . 6.000 4.795 3.989 6.021 0.021 5 0 "[ . 1]" 1
238 1 55 HIS HB2 1 57 VAL QG 2.991 . 4.109 3.390 3.145 3.698 . 0 0 "[ . 1]" 1
239 1 14 TYR QB 1 16 ILE MG 3.115 . 4.328 3.778 3.543 3.982 . 0 0 "[ . 1]" 1
240 1 36 LYS QE 1 36 LYS QG 2.658 . 3.541 2.336 2.251 2.399 . 0 0 "[ . 1]" 1
241 1 36 LYS QD 1 36 LYS QE 2.803 . 3.785 2.030 2.002 2.077 . 0 0 "[ . 1]" 1
242 1 52 LYS QE 1 80 LYS QD 3.316 . 4.691 4.446 4.280 4.629 . 0 0 "[ . 1]" 1
243 1 59 PRO HD3 1 59 PRO QG 2.632 . 3.498 2.233 2.173 2.254 . 0 0 "[ . 1]" 1
244 1 28 PHE HB3 1 40 VAL HB 3.134 . 6.000 4.491 4.257 4.651 . 0 0 "[ . 1]" 1
245 1 26 ALA MB 1 28 PHE HB3 3.419 . 6.000 4.923 4.771 5.036 . 0 0 "[ . 1]" 1
246 1 57 VAL QG 1 79 CYS QB 2.271 . 2.916 2.105 1.933 2.290 . 0 0 "[ . 1]" 1
247 1 49 CYS HB2 1 50 GLN HB3 2.187 . 6.000 5.102 4.683 5.492 . 0 0 "[ . 1]" 1
248 1 59 PRO QB 1 59 PRO HG3 1.884 . 2.328 2.131 2.124 2.137 . 0 0 "[ . 1]" 1
249 1 75 ARG HB2 1 75 ARG QG 2.611 . 3.463 2.304 2.144 2.398 . 0 0 "[ . 1]" 1
250 1 21 CYS QB 1 27 ALA MB 3.165 . 4.417 3.574 3.410 3.740 . 0 0 "[ . 1]" 1
251 1 15 CYS HB3 1 36 LYS QD 3.410 . 4.864 3.820 2.422 4.578 . 0 0 "[ . 1]" 1
252 1 15 CYS HB3 1 36 LYS QG 3.197 . 4.475 3.076 2.506 4.499 0.024 1 0 "[ . 1]" 1
253 1 67 GLN QB 1 67 GLN HG3 2.390 . 3.104 2.384 2.148 2.519 . 0 0 "[ . 1]" 1
254 1 75 ARG HB3 1 75 ARG QG 2.654 . 3.535 2.339 2.283 2.457 . 0 0 "[ . 1]" 1
255 1 52 LYS HB3 1 52 LYS HD2 2.769 . 3.727 2.311 2.116 2.461 . 0 0 "[ . 1]" 1
256 1 17 ARG HB2 1 17 ARG QG 2.407 . 3.131 2.326 2.284 2.350 . 0 0 "[ . 1]" 1
257 1 57 VAL HB 1 57 VAL QG 1.930 . 2.395 1.890 1.889 1.893 . 0 0 "[ . 1]" 1
258 1 16 ILE HB 1 16 ILE MG 1.848 . 2.275 1.889 1.888 1.892 . 0 0 "[ . 1]" 1
259 1 57 VAL QG 1 61 ILE HB 2.096 . 2.645 2.675 2.589 2.731 0.086 10 0 "[ . 1]" 1
260 1 65 GLU QB 1 82 ILE HG12 3.109 . 6.000 5.766 5.134 6.059 0.059 3 0 "[ . 1]" 1
261 1 36 LYS HB2 1 36 LYS QG 2.236 . 2.861 1.918 1.881 1.942 . 0 0 "[ . 1]" 1
262 1 67 GLN HB2 1 80 LYS QG 3.374 . 4.797 3.311 2.643 4.252 . 0 0 "[ . 1]" 1
263 1 52 LYS HB2 1 52 LYS QG 2.822 . 3.817 2.040 2.007 2.168 . 0 0 "[ . 1]" 1
264 1 19 LYS QD 1 19 LYS HG2 2.007 . 2.511 2.320 2.159 2.433 . 0 0 "[ . 1]" 1
265 1 80 LYS QD 1 80 LYS QG 2.220 . 2.836 2.012 1.999 2.077 . 0 0 "[ . 1]" 1
266 1 36 LYS QD 1 36 LYS QG 2.360 . 3.056 2.006 1.993 2.023 . 0 0 "[ . 1]" 1
267 1 70 LEU HB3 1 70 LEU QD 2.197 . 2.800 2.155 2.114 2.282 . 0 0 "[ . 1]" 1
268 1 16 ILE MG 1 39 CYS HB2 2.835 . 3.840 3.538 3.412 3.691 . 0 0 "[ . 1]" 1
269 1 16 ILE MD 1 16 ILE HG12 1.748 . 2.130 1.889 1.886 1.891 . 0 0 "[ . 1]" 1
270 1 43 THR H 1 43 THR HA 2.252 . 2.886 2.689 2.284 2.809 . 0 0 "[ . 1]" 1
271 1 75 ARG QG 1 76 TRP H 3.437 . 4.914 4.094 3.433 4.444 . 0 0 "[ . 1]" 1
272 1 55 HIS HB2 1 67 GLN QE 3.813 . 5.631 5.019 4.324 5.441 . 0 0 "[ . 1]" 1
273 1 62 ARG QD 1 62 ARG HE 2.380 . 3.088 2.454 2.376 2.487 . 0 0 "[ . 1]" 1
274 1 14 TYR HA 1 14 TYR QD 2.518 . 6.000 3.491 3.476 3.508 . 0 0 "[ . 1]" 1
275 1 19 LYS HA 1 19 LYS QE 3.617 . 5.252 3.984 3.768 4.296 . 0 0 "[ . 1]" 1
276 1 48 THR HA 1 51 ASP HB2 3.555 . 5.135 3.582 3.050 4.004 . 0 0 "[ . 1]" 1
277 1 4 ASP HB3 1 5 THR HA 3.929 . 5.859 4.056 3.931 4.249 . 0 0 "[ . 1]" 1
278 1 59 PRO HB2 1 76 TRP QB 3.751 . 5.510 4.656 4.534 4.894 . 0 0 "[ . 1]" 1
279 1 19 LYS HB3 1 19 LYS QE 3.499 . 5.029 4.152 3.488 4.533 . 0 0 "[ . 1]" 1
280 1 16 ILE MD 1 21 CYS QB 3.463 . 4.962 3.754 3.561 4.021 . 0 0 "[ . 1]" 1
281 1 20 VAL MG1 1 21 CYS QB 3.692 . 5.396 5.438 5.417 5.468 0.072 7 0 "[ . 1]" 1
282 1 15 CYS HB3 1 16 ILE MG 3.512 . 5.053 4.591 4.442 4.729 . 0 0 "[ . 1]" 1
283 1 67 GLN QE 1 67 GLN HG3 3.051 . 4.214 2.874 2.161 3.296 . 0 0 "[ . 1]" 1
284 1 57 VAL H 1 79 CYS H 3.590 . 5.201 3.995 3.729 4.193 . 0 0 "[ . 1]" 1
285 1 56 CYS H 1 57 VAL H 3.444 . 4.926 4.226 4.155 4.335 . 0 0 "[ . 1]" 1
286 1 57 VAL H 1 77 THR H 2.804 . 3.787 3.263 2.986 3.526 . 0 0 "[ . 1]" 1
287 1 25 PHE H 1 26 ALA H 3.552 . 5.130 4.306 4.252 4.367 . 0 0 "[ . 1]" 1
288 1 16 ILE H 1 37 THR H 2.835 . 3.840 3.614 3.220 3.858 0.018 7 0 "[ . 1]" 1
289 1 16 ILE H 1 17 ARG H 3.581 . 5.184 4.481 4.411 4.529 . 0 0 "[ . 1]" 1
290 1 14 TYR H 1 39 CYS H 2.632 . 3.498 3.409 3.187 3.525 0.027 5 0 "[ . 1]" 1
291 1 23 LYS H 1 25 PHE H 3.460 . 4.957 4.404 4.373 4.440 . 0 0 "[ . 1]" 1
292 1 15 CYS H 1 16 ILE H 3.521 . 5.070 3.886 3.783 4.046 . 0 0 "[ . 1]" 1
293 1 55 HIS H 1 79 CYS H 2.725 . 3.653 3.139 2.826 3.497 . 0 0 "[ . 1]" 1
294 1 55 HIS H 1 56 CYS H 3.499 . 5.029 4.523 4.473 4.572 . 0 0 "[ . 1]" 1
295 1 27 ALA H 1 28 PHE H 3.179 . 4.443 4.202 4.109 4.274 . 0 0 "[ . 1]" 1
296 1 28 PHE H 1 29 GLY H 2.882 . 3.920 3.907 3.835 3.949 0.029 5 0 "[ . 1]" 1
297 1 34 ARG H 1 36 LYS H 3.735 . 5.479 4.230 4.104 4.523 . 0 0 "[ . 1]" 1
298 1 26 ALA H 1 27 ALA H 3.301 . 4.663 4.383 4.342 4.415 . 0 0 "[ . 1]" 1
299 1 26 ALA H 1 42 THR H 3.337 . 4.729 3.473 3.238 3.737 . 0 0 "[ . 1]" 1
300 1 41 ASP H 1 42 THR H 3.443 . 4.925 4.197 4.101 4.357 . 0 0 "[ . 1]" 1
301 1 62 ARG H 1 63 CYS H 3.396 . 4.837 3.872 3.768 3.950 . 0 0 "[ . 1]" 1
302 1 67 GLN H 1 80 LYS H 3.351 . 4.755 3.799 3.437 4.071 . 0 0 "[ . 1]" 1
303 1 66 GLU H 1 67 GLN H 3.835 . 5.673 2.746 2.421 3.554 . 0 0 "[ . 1]" 1
304 1 74 LYS H 1 75 ARG H 3.606 . 5.231 2.487 2.194 2.797 . 0 0 "[ . 1]" 1
305 1 13 GLY H 1 14 TYR H 3.536 . 5.099 4.509 4.445 4.560 . 0 0 "[ . 1]" 1
306 1 21 CYS H 1 27 ALA H 3.358 . 4.767 4.849 4.785 4.898 0.131 2 0 "[ . 1]" 1
307 1 42 THR H 1 43 THR H 2.367 . 6.000 3.934 3.870 4.000 . 0 0 "[ . 1]" 1
308 1 8 CYS H 1 9 VAL H 2.556 . 3.372 2.616 2.574 2.675 . 0 0 "[ . 1]" 1
309 1 80 LYS H 1 81 GLU H 2.562 . 6.000 4.078 4.030 4.130 . 0 0 "[ . 1]" 1
310 1 50 GLN H 1 51 ASP H 2.669 . 3.559 2.719 2.602 2.972 . 0 0 "[ . 1]" 1
311 1 9 VAL H 1 10 GLY H 2.442 . 3.187 2.858 2.781 2.994 . 0 0 "[ . 1]" 1
312 1 75 ARG H 1 76 TRP H 3.122 . 4.340 2.391 2.345 2.534 . 0 0 "[ . 1]" 1
313 1 76 TRP H 1 77 THR H 3.548 . 5.121 4.509 4.452 4.547 . 0 0 "[ . 1]" 1
314 1 65 GLU H 1 66 GLU H 3.655 . 5.325 4.413 3.960 4.542 . 0 0 "[ . 1]" 1
315 1 64 LEU H 1 65 GLU H 2.689 . 6.000 3.998 3.930 4.028 . 0 0 "[ . 1]" 1
316 1 31 CYS H 1 37 THR H 3.763 . 5.533 5.307 4.872 5.612 0.079 7 0 "[ . 1]" 1
317 1 37 THR H 1 38 CYS H 3.630 . 5.277 4.530 4.428 4.593 . 0 0 "[ . 1]" 1
318 1 34 ARG H 1 35 GLN H 3.091 . 4.285 2.425 2.278 2.500 . 0 0 "[ . 1]" 1
319 1 38 CYS H 1 39 CYS H 3.554 . 5.133 4.333 4.220 4.562 . 0 0 "[ . 1]" 1
320 1 28 PHE H 1 38 CYS H 3.345 . 4.743 3.649 3.534 3.825 . 0 0 "[ . 1]" 1
321 1 74 LYS H 1 76 TRP HE1 4.087 . 6.175 5.606 5.214 6.002 . 0 0 "[ . 1]" 1
322 1 76 TRP H 1 76 TRP HE1 3.443 . 4.925 4.958 4.896 5.010 0.085 8 0 "[ . 1]" 1
323 1 57 VAL H 1 76 TRP HE3 3.200 . 4.480 3.046 2.935 3.309 . 0 0 "[ . 1]" 1
324 1 57 VAL H 1 58 SER H 3.571 . 5.165 4.369 4.331 4.398 . 0 0 "[ . 1]" 1
325 1 25 PHE H 1 25 PHE QD 2.318 . 2.990 3.057 3.012 3.105 0.115 5 0 "[ . 1]" 1
326 1 25 PHE H 1 25 PHE QE 3.303 . 6.000 5.237 5.217 5.256 . 0 0 "[ . 1]" 1
327 1 16 ILE H 1 18 SER H 3.885 . 5.771 5.044 4.711 5.244 . 0 0 "[ . 1]" 1
328 1 18 SER H 1 37 THR H 3.616 . 5.250 4.171 3.715 4.337 . 0 0 "[ . 1]" 1
329 1 14 TYR QD 1 39 CYS H 3.640 . 5.296 3.879 3.497 4.492 . 0 0 "[ . 1]" 1
330 1 14 TYR QD 1 16 ILE H 3.881 . 5.764 3.044 2.653 3.915 . 0 0 "[ . 1]" 1
331 1 28 PHE H 1 28 PHE QD 3.383 . 4.814 3.844 3.757 3.974 . 0 0 "[ . 1]" 1
332 1 25 PHE QD 1 40 VAL H 3.271 . 4.608 3.779 3.586 3.933 . 0 0 "[ . 1]" 1
333 1 25 PHE QD 1 26 ALA H 3.031 . 4.180 3.970 3.770 4.103 . 0 0 "[ . 1]" 1
334 1 55 HIS HD2 1 56 CYS H 3.935 . 5.870 5.739 5.598 5.875 0.005 9 0 "[ . 1]" 1
335 1 25 PHE QD 1 41 ASP H 2.940 . 4.020 3.479 3.343 3.705 . 0 0 "[ . 1]" 1
336 1 76 TRP HE3 1 77 THR H 3.483 . 5.000 4.547 4.117 5.008 0.008 5 0 "[ . 1]" 1
337 1 46 PHE H 1 47 HIS H 3.126 . 4.348 2.827 2.629 2.963 . 0 0 "[ . 1]" 1
338 1 74 LYS H 1 76 TRP H 3.965 . 5.930 3.954 3.687 4.176 . 0 0 "[ . 1]" 1
339 1 43 THR H 1 44 SER H 2.437 . 3.179 2.527 2.285 2.803 . 0 0 "[ . 1]" 1
340 1 54 GLY H 1 55 HIS H 3.085 . 6.000 4.420 4.285 4.555 . 0 0 "[ . 1]" 1
341 1 7 ARG H 1 9 VAL H 3.718 . 5.446 4.080 3.975 4.260 . 0 0 "[ . 1]" 1
342 1 4 ASP H 1 7 ARG H 3.799 . 5.603 5.322 5.068 5.470 . 0 0 "[ . 1]" 1
343 1 20 VAL H 1 21 CYS H 2.955 . 4.046 3.147 3.068 3.233 . 0 0 "[ . 1]" 1
344 1 17 ARG H 1 18 SER H 2.545 . 3.355 2.578 2.370 2.775 . 0 0 "[ . 1]" 1
345 1 25 PHE QE 1 41 ASP H 3.145 . 4.382 3.038 2.929 3.305 . 0 0 "[ . 1]" 1
346 1 76 TRP HD1 1 77 THR H 3.617 . 5.253 5.278 5.211 5.325 0.072 9 0 "[ . 1]" 1
347 1 50 GLN H 1 52 LYS H 3.479 . 4.992 4.221 4.042 4.332 . 0 0 "[ . 1]" 1
348 1 9 VAL H 1 11 TYR H 3.397 . 4.840 4.021 3.949 4.097 . 0 0 "[ . 1]" 1
349 1 14 TYR H 1 25 PHE QE 4.159 . 6.322 4.473 4.319 4.579 . 0 0 "[ . 1]" 1
350 1 19 LYS H 1 20 VAL H 2.263 . 2.903 2.745 2.618 2.821 . 0 0 "[ . 1]" 1
351 1 7 ARG H 1 8 CYS H 2.433 . 3.173 2.569 2.417 2.783 . 0 0 "[ . 1]" 1
352 1 6 SER H 1 7 ARG H 2.469 . 3.231 2.552 2.413 2.665 . 0 0 "[ . 1]" 1
353 1 30 THR H 1 38 CYS H 3.917 . 5.835 4.462 4.348 4.565 . 0 0 "[ . 1]" 1
354 1 61 ILE H 1 62 ARG H 3.183 . 6.000 4.543 4.455 4.583 . 0 0 "[ . 1]" 1
355 1 18 SER H 1 19 LYS H 3.489 . 5.010 4.392 4.323 4.457 . 0 0 "[ . 1]" 1
356 1 5 THR H 1 6 SER H 2.628 . 3.491 2.641 2.479 2.782 . 0 0 "[ . 1]" 1
357 1 11 TYR H 1 13 GLY H 3.113 . 4.324 3.317 3.257 3.377 . 0 0 "[ . 1]" 1
358 1 11 TYR H 1 12 HIS H 2.532 . 3.333 2.531 2.451 2.623 . 0 0 "[ . 1]" 1
359 1 10 GLY H 1 11 TYR H 2.477 . 3.244 2.374 2.282 2.488 . 0 0 "[ . 1]" 1
360 1 51 ASP H 1 52 LYS H 2.703 . 3.616 2.427 2.338 2.538 . 0 0 "[ . 1]" 1
361 1 52 LYS H 1 53 GLY H 2.216 . 2.830 2.493 2.357 2.632 . 0 0 "[ . 1]" 1
362 1 55 HIS H 1 55 HIS HD2 2.937 . 4.015 2.792 2.574 3.006 . 0 0 "[ . 1]" 1
363 1 23 LYS H 1 25 PHE QD 3.920 . 5.840 3.797 3.628 3.959 . 0 0 "[ . 1]" 1
364 1 74 LYS H 1 76 TRP HD1 3.718 . 5.446 4.250 3.841 4.654 . 0 0 "[ . 1]" 1
365 1 73 LEU H 1 74 LYS H 3.406 . 4.856 4.554 4.497 4.583 . 0 0 "[ . 1]" 1
366 1 12 HIS H 1 12 HIS HD2 3.246 . 4.563 4.079 3.879 4.275 . 0 0 "[ . 1]" 1
367 1 8 CYS H 1 11 TYR QD 3.646 . 5.307 4.516 4.174 4.741 . 0 0 "[ . 1]" 1
368 1 25 PHE QD 1 42 THR H 3.735 . 5.479 4.170 4.056 4.238 . 0 0 "[ . 1]" 1
369 1 28 PHE QD 1 29 GLY H 3.252 . 4.574 3.724 3.524 3.900 . 0 0 "[ . 1]" 1
370 1 10 GLY H 1 11 TYR QD 4.104 . 6.209 4.664 4.370 4.814 . 0 0 "[ . 1]" 1
371 1 55 HIS HD2 1 82 ILE H 3.933 . 5.866 3.169 2.805 4.200 . 0 0 "[ . 1]" 1
372 1 46 PHE H 1 46 PHE QD 2.775 . 3.737 1.796 1.703 2.029 0.110 3 0 "[ . 1]" 1
373 1 76 TRP H 1 76 TRP HE3 3.573 . 6.000 5.731 5.711 5.751 . 0 0 "[ . 1]" 1
374 1 14 TYR H 1 14 TYR QD 2.593 . 3.433 2.580 2.184 2.809 . 0 0 "[ . 1]" 1
375 1 14 TYR QD 1 15 CYS H 2.840 . 3.848 3.023 2.736 3.449 . 0 0 "[ . 1]" 1
376 1 60 LYS H 1 61 ILE H 2.334 . 3.015 2.278 2.101 2.657 . 0 0 "[ . 1]" 1
377 1 11 TYR H 1 11 TYR QD 3.056 . 4.224 3.453 3.295 3.587 . 0 0 "[ . 1]" 1
378 1 76 TRP HH2 1 76 TRP HZ3 1.942 . 2.413 2.440 2.435 2.446 0.033 9 0 "[ . 1]" 1
379 1 14 TYR QD 1 25 PHE QE 2.654 . 3.534 3.411 3.224 3.544 0.010 9 0 "[ . 1]" 1
380 1 14 TYR QD 1 25 PHE HZ 2.994 . 6.000 5.165 4.896 5.393 . 0 0 "[ . 1]" 1
381 1 7 ARG HE 1 11 TYR QE 3.759 . 5.525 4.463 3.319 5.548 0.023 8 0 "[ . 1]" 1
382 1 52 LYS H 1 67 GLN QE 3.969 . 5.938 3.440 3.176 3.851 . 0 0 "[ . 1]" 1
383 1 55 HIS HD2 1 67 GLN QE 2.553 . 6.000 5.524 4.546 5.887 . 0 0 "[ . 1]" 1
384 1 54 GLY H 1 67 GLN QE 3.408 . 4.860 3.224 2.367 3.806 . 0 0 "[ . 1]" 1
385 1 14 TYR QE 1 25 PHE QD 2.877 . 3.912 3.190 2.908 3.398 . 0 0 "[ . 1]" 1
386 1 14 TYR QE 1 25 PHE HZ 3.020 . 4.160 3.473 3.287 3.678 . 0 0 "[ . 1]" 1
387 1 14 TYR QE 1 25 PHE QE 2.837 . 3.843 2.139 2.060 2.293 . 0 0 "[ . 1]" 1
388 1 14 TYR H 1 14 TYR QE 3.628 . 5.273 3.991 3.876 4.062 . 0 0 "[ . 1]" 1
389 1 14 TYR QE 1 39 CYS H 3.992 . 5.984 4.621 4.254 5.209 . 0 0 "[ . 1]" 1
390 1 56 CYS HA 1 57 VAL H 2.105 . 2.659 2.122 2.100 2.137 . 0 0 "[ . 1]" 1
391 1 39 CYS H 1 39 CYS HA 2.787 . 3.758 2.944 2.931 2.948 . 0 0 "[ . 1]" 1
392 1 28 PHE H 1 39 CYS HA 2.797 . 3.775 2.820 2.721 2.934 . 0 0 "[ . 1]" 1
393 1 15 CYS HA 1 39 CYS H 2.971 . 4.074 3.326 3.014 3.560 . 0 0 "[ . 1]" 1
394 1 15 CYS HA 1 16 ILE H 2.102 . 2.654 2.208 2.093 2.283 . 0 0 "[ . 1]" 1
395 1 56 CYS HA 1 79 CYS H 2.989 . 4.106 3.281 3.099 3.467 . 0 0 "[ . 1]" 1
396 1 56 CYS H 1 56 CYS HA 2.686 . 3.588 2.934 2.922 2.940 . 0 0 "[ . 1]" 1
397 1 39 CYS HA 1 40 VAL H 2.076 . 2.615 2.136 2.110 2.161 . 0 0 "[ . 1]" 1
398 1 26 ALA H 1 39 CYS HA 3.004 . 4.132 3.811 3.699 3.917 . 0 0 "[ . 1]" 1
399 1 15 CYS HA 1 37 THR H 3.526 . 5.080 4.236 3.647 4.509 . 0 0 "[ . 1]" 1
400 1 56 CYS HA 1 77 THR H 3.410 . 4.864 4.602 4.274 4.821 . 0 0 "[ . 1]" 1
401 1 15 CYS H 1 15 CYS HA 2.781 . 3.747 2.941 2.930 2.948 . 0 0 "[ . 1]" 1
402 1 14 TYR H 1 15 CYS HA 3.555 . 6.000 5.267 5.163 5.368 . 0 0 "[ . 1]" 1
403 1 14 TYR H 1 39 CYS HA 3.701 . 5.413 5.025 4.794 5.122 . 0 0 "[ . 1]" 1
404 1 79 CYS H 1 79 CYS HA 2.789 . 3.761 2.930 2.899 2.943 . 0 0 "[ . 1]" 1
405 1 28 PHE H 1 30 THR HA 3.994 . 5.988 6.068 6.019 6.105 0.117 9 0 "[ . 1]" 1
406 1 71 CYS H 1 71 CYS HA 2.956 . 4.048 2.869 2.815 2.911 . 0 0 "[ . 1]" 1
407 1 79 CYS HA 1 80 LYS H 2.094 . 2.642 2.203 2.165 2.270 . 0 0 "[ . 1]" 1
408 1 66 GLU H 1 79 CYS HA 3.809 . 5.623 2.328 2.055 2.669 . 0 0 "[ . 1]" 1
409 1 57 VAL H 1 57 VAL HA 2.741 . 3.680 2.941 2.939 2.944 . 0 0 "[ . 1]" 1
410 1 38 CYS HA 1 39 CYS H 2.137 . 2.708 2.198 2.178 2.274 . 0 0 "[ . 1]" 1
411 1 16 ILE H 1 16 ILE HA 2.503 . 3.286 2.923 2.919 2.929 . 0 0 "[ . 1]" 1
412 1 27 ALA HA 1 28 PHE H 3.081 . 4.267 2.213 2.180 2.250 . 0 0 "[ . 1]" 1
413 1 25 PHE H 1 25 PHE HA 2.676 . 3.571 2.917 2.909 2.925 . 0 0 "[ . 1]" 1
414 1 24 PRO HA 1 25 PHE H 2.491 . 3.267 2.251 2.236 2.265 . 0 0 "[ . 1]" 1
415 1 28 PHE H 1 28 PHE HA 2.532 . 3.333 2.919 2.900 2.931 . 0 0 "[ . 1]" 1
416 1 40 VAL H 1 40 VAL HA 2.703 . 3.617 2.943 2.928 2.954 . 0 0 "[ . 1]" 1
417 1 55 HIS HA 1 56 CYS H 2.080 . 2.621 2.418 2.266 2.580 . 0 0 "[ . 1]" 1
418 1 25 PHE HA 1 26 ALA H 2.166 . 2.752 2.222 2.158 2.283 . 0 0 "[ . 1]" 1
419 1 26 ALA H 1 26 ALA HA 2.772 . 3.733 2.949 2.944 2.953 . 0 0 "[ . 1]" 1
420 1 36 LYS HA 1 37 THR H 3.638 . 5.292 2.223 2.070 2.415 . 0 0 "[ . 1]" 1
421 1 40 VAL HA 1 41 ASP H 2.108 . 2.664 2.272 2.220 2.338 . 0 0 "[ . 1]" 1
422 1 63 CYS HA 1 64 LEU H 2.321 . 2.994 2.328 2.277 2.386 . 0 0 "[ . 1]" 1
423 1 63 CYS H 1 63 CYS HA 2.626 . 3.488 2.935 2.928 2.940 . 0 0 "[ . 1]" 1
424 1 13 GLY HA2 1 41 ASP H 3.709 . 5.428 4.239 4.023 4.547 . 0 0 "[ . 1]" 1
425 1 16 ILE HA 1 17 ARG H 2.093 . 6.000 2.616 2.454 2.736 . 0 0 "[ . 1]" 1
426 1 17 ARG H 1 36 LYS HA 3.386 . 4.819 4.735 4.552 4.879 0.060 8 0 "[ . 1]" 1
427 1 14 TYR HA 1 15 CYS H 2.074 . 2.611 2.601 2.441 2.704 0.093 3 0 "[ . 1]" 1
428 1 21 CYS H 1 21 CYS HA 2.545 . 3.354 2.785 2.747 2.809 . 0 0 "[ . 1]" 1
429 1 48 THR HB 1 49 CYS H 2.524 . 3.321 3.426 3.368 3.521 0.200 2 0 "[ . 1]" 1
430 1 65 GLU HA 1 66 GLU H 2.135 . 2.705 2.393 2.262 2.440 . 0 0 "[ . 1]" 1
431 1 70 LEU HA 1 71 CYS H 2.295 . 2.953 2.197 2.111 2.278 . 0 0 "[ . 1]" 1
432 1 77 THR HA 1 78 CYS H 2.148 . 2.725 2.226 2.183 2.287 . 0 0 "[ . 1]" 1
433 1 30 THR HB 1 34 ARG H 3.289 . 4.641 4.452 4.270 4.637 . 0 0 "[ . 1]" 1
434 1 23 LYS HA 1 25 PHE H 2.142 . 2.716 1.768 1.666 1.843 . 0 0 "[ . 1]" 1
435 1 16 ILE H 1 17 ARG HA 3.767 . 5.541 5.313 5.187 5.415 . 0 0 "[ . 1]" 1
436 1 54 GLY HA3 1 79 CYS H 3.735 . 5.479 4.858 4.434 5.219 . 0 0 "[ . 1]" 1
437 1 17 ARG HA 1 37 THR H 3.480 . 4.994 3.583 3.295 3.787 . 0 0 "[ . 1]" 1
438 1 25 PHE H 1 41 ASP HA 3.718 . 5.446 4.746 4.566 5.018 . 0 0 "[ . 1]" 1
439 1 33 TRP HA 1 34 ARG H 3.030 . 4.178 2.314 2.220 2.478 . 0 0 "[ . 1]" 1
440 1 26 ALA H 1 41 ASP HA 2.903 . 6.000 4.397 4.248 4.617 . 0 0 "[ . 1]" 1
441 1 80 LYS H 1 80 LYS HA 2.558 . 3.376 2.901 2.882 2.920 . 0 0 "[ . 1]" 1
442 1 37 THR H 1 37 THR HA 2.753 . 3.700 2.931 2.893 2.954 . 0 0 "[ . 1]" 1
443 1 41 ASP H 1 41 ASP HA 2.741 . 3.680 2.817 2.800 2.836 . 0 0 "[ . 1]" 1
444 1 64 LEU H 1 64 LEU HA 2.765 . 3.720 2.865 2.838 2.891 . 0 0 "[ . 1]" 1
445 1 62 ARG HA 1 63 CYS H 2.031 . 2.546 2.161 2.126 2.191 . 0 0 "[ . 1]" 1
446 1 17 ARG H 1 17 ARG HA 2.528 . 3.327 2.861 2.802 2.913 . 0 0 "[ . 1]" 1
447 1 48 THR HA 1 49 CYS H 2.597 . 3.440 3.360 3.287 3.400 . 0 0 "[ . 1]" 1
448 1 23 LYS H 1 23 LYS HA 2.291 . 2.947 2.937 2.929 2.945 . 0 0 "[ . 1]" 1
449 1 54 GLY HA3 1 55 HIS H 2.421 . 3.154 3.220 3.109 3.296 0.142 5 0 "[ . 1]" 1
450 1 66 GLU HA 1 67 GLN H 2.165 . 2.751 2.367 2.125 2.495 . 0 0 "[ . 1]" 1
451 1 27 ALA H 1 39 CYS HA 3.504 . 5.039 4.859 4.711 4.937 . 0 0 "[ . 1]" 1
452 1 68 LEU H 1 79 CYS HA 3.828 . 5.659 5.271 4.958 5.683 0.024 7 0 "[ . 1]" 1
453 1 30 THR H 1 30 THR HA 2.784 . 3.753 2.929 2.915 2.940 . 0 0 "[ . 1]" 1
454 1 79 CYS HA 1 81 GLU H 3.684 . 5.380 5.273 5.193 5.343 . 0 0 "[ . 1]" 1
455 1 30 THR HA 1 31 CYS H 2.379 . 3.086 2.306 2.212 2.432 . 0 0 "[ . 1]" 1
456 1 30 THR HA 1 38 CYS H 2.397 . 3.115 2.712 2.601 2.832 . 0 0 "[ . 1]" 1
457 1 13 GLY H 1 13 GLY HA2 2.686 . 3.588 2.386 2.382 2.394 . 0 0 "[ . 1]" 1
458 1 67 GLN HA 1 68 LEU H 2.635 . 3.503 3.556 3.532 3.571 0.068 9 0 "[ . 1]" 1
459 1 25 PHE HA 1 42 THR H 2.755 . 3.704 2.110 1.986 2.250 . 0 0 "[ . 1]" 1
460 1 24 PRO HA 1 42 THR H 3.394 . 4.834 4.657 4.449 4.835 0.001 6 0 "[ . 1]" 1
461 1 28 PHE HA 1 29 GLY H 1.997 . 2.496 2.219 2.205 2.241 . 0 0 "[ . 1]" 1
462 1 28 PHE HA 1 30 THR H 3.398 . 6.000 5.974 5.870 6.050 0.050 5 0 "[ . 1]" 1
463 1 10 GLY H 1 11 TYR HA 3.188 . 6.000 4.998 4.931 5.075 . 0 0 "[ . 1]" 1
464 1 10 GLY H 1 14 TYR HA 4.109 . 6.219 5.922 5.556 6.234 0.015 9 0 "[ . 1]" 1
465 1 38 CYS H 1 38 CYS HA 2.949 . 4.036 2.927 2.907 2.937 . 0 0 "[ . 1]" 1
466 1 76 TRP H 1 76 TRP HA 2.732 . 3.665 2.930 2.919 2.943 . 0 0 "[ . 1]" 1
467 1 63 CYS HA 1 65 GLU H 3.399 . 4.843 4.983 4.953 5.008 0.165 3 0 "[ . 1]" 1
468 1 81 GLU HA 1 82 ILE H 2.054 . 2.581 2.159 2.037 2.218 . 0 0 "[ . 1]" 1
469 1 65 GLU H 1 65 GLU HA 2.838 . 3.845 2.885 2.871 2.902 . 0 0 "[ . 1]" 1
470 1 30 THR HB 1 31 CYS H 2.344 . 3.031 2.906 2.637 3.078 0.047 7 0 "[ . 1]" 1
471 1 54 GLY H 1 54 GLY HA3 2.583 . 3.417 2.310 2.290 2.346 . 0 0 "[ . 1]" 1
472 1 4 ASP HA 1 7 ARG H 2.964 . 4.062 3.309 2.942 3.473 . 0 0 "[ . 1]" 1
473 1 30 THR H 1 30 THR HB 3.397 . 4.840 3.839 3.801 3.879 . 0 0 "[ . 1]" 1
474 1 46 PHE HA 1 47 HIS H 2.478 . 6.000 3.363 3.272 3.436 . 0 0 "[ . 1]" 1
475 1 51 ASP H 1 51 ASP HA 2.611 . 3.463 2.865 2.836 2.889 . 0 0 "[ . 1]" 1
476 1 70 LEU H 1 70 LEU HA 2.633 . 3.499 2.934 2.923 2.945 . 0 0 "[ . 1]" 1
477 1 22 PRO HA 1 23 LYS H 1.788 . 6.000 2.633 2.606 2.650 . 0 0 "[ . 1]" 1
478 1 14 TYR H 1 40 VAL HA 3.138 . 4.368 3.388 3.297 3.520 . 0 0 "[ . 1]" 1
479 1 8 CYS HA 1 9 VAL H 2.834 . 3.838 3.516 3.497 3.536 . 0 0 "[ . 1]" 1
480 1 42 THR HA 1 43 THR H 3.350 . 4.752 2.332 2.271 2.370 . 0 0 "[ . 1]" 1
481 1 55 HIS H 1 80 LYS HA 3.249 . 4.568 3.847 3.568 4.150 . 0 0 "[ . 1]" 1
482 1 73 LEU HA 1 74 LYS H 1.929 . 2.394 2.233 2.100 2.407 0.013 1 0 "[ . 1]" 1
483 1 18 SER HA 1 19 LYS H 2.085 . 2.628 2.541 2.463 2.678 0.050 4 0 "[ . 1]" 1
484 1 12 HIS HA 1 13 GLY H 2.486 . 3.258 3.124 3.065 3.186 . 0 0 "[ . 1]" 1
485 1 8 CYS H 1 8 CYS HA 2.342 . 3.028 2.821 2.808 2.830 . 0 0 "[ . 1]" 1
486 1 31 CYS HA 1 32 SER H 2.360 . 6.000 3.556 3.532 3.574 . 0 0 "[ . 1]" 1
487 1 29 GLY H 1 29 GLY HA3 2.390 . 3.104 2.751 2.726 2.783 . 0 0 "[ . 1]" 1
488 1 41 ASP HA 1 42 THR H 2.044 . 2.566 2.160 2.108 2.200 . 0 0 "[ . 1]" 1
489 1 4 ASP H 1 4 ASP HA 2.511 . 3.299 2.947 2.938 2.951 . 0 0 "[ . 1]" 1
490 1 41 ASP HA 1 43 THR H 2.508 . 6.000 4.909 4.754 5.012 . 0 0 "[ . 1]" 1
491 1 48 THR HA 1 51 ASP H 3.436 . 4.912 3.536 3.197 3.837 . 0 0 "[ . 1]" 1
492 1 29 GLY HA3 1 30 THR H 2.190 . 2.790 2.117 2.087 2.166 . 0 0 "[ . 1]" 1
493 1 80 LYS HA 1 81 GLU H 2.706 . 3.621 2.194 2.162 2.242 . 0 0 "[ . 1]" 1
494 1 44 SER HA 1 45 ASP H 2.275 . 6.000 3.550 3.513 3.576 . 0 0 "[ . 1]" 1
495 1 68 LEU HA 1 69 GLY H 2.188 . 2.786 2.287 2.169 2.539 . 0 0 "[ . 1]" 1
496 1 37 THR HA 1 38 CYS H 2.144 . 2.718 2.278 2.248 2.313 . 0 0 "[ . 1]" 1
497 1 18 SER HA 1 20 VAL H 2.910 . 3.969 4.040 4.006 4.095 0.126 4 0 "[ . 1]" 1
498 1 59 PRO HA 1 61 ILE H 2.995 . 4.116 3.784 3.610 3.972 . 0 0 "[ . 1]" 1
499 1 25 PHE QE 1 40 VAL HA 3.096 . 4.294 3.536 3.406 3.623 . 0 0 "[ . 1]" 1
500 1 11 TYR H 1 11 TYR HA 2.544 . 3.353 2.916 2.910 2.920 . 0 0 "[ . 1]" 1
501 1 11 TYR H 1 12 HIS HA 3.145 . 6.000 5.045 5.016 5.093 . 0 0 "[ . 1]" 1
502 1 8 CYS HA 1 11 TYR H 3.063 . 4.236 3.196 3.009 3.353 . 0 0 "[ . 1]" 1
503 1 52 LYS H 1 52 LYS HA 2.561 . 3.381 2.870 2.834 2.905 . 0 0 "[ . 1]" 1
504 1 76 TRP HA 1 76 TRP HD1 2.576 . 3.406 3.175 3.085 3.239 . 0 0 "[ . 1]" 1
505 1 57 VAL HA 1 58 SER H 2.118 . 2.679 2.143 2.105 2.172 . 0 0 "[ . 1]" 1
506 1 57 VAL HA 1 76 TRP HH2 3.280 . 4.625 4.696 4.642 4.739 0.114 2 0 "[ . 1]" 1
507 1 11 TYR HA 1 11 TYR QD 2.208 . 2.818 2.046 1.949 2.282 . 0 0 "[ . 1]" 1
508 1 11 TYR HA 1 12 HIS HD2 3.280 . 4.625 4.592 4.446 4.669 0.044 1 0 "[ . 1]" 1
509 1 12 HIS HA 1 12 HIS HD2 2.936 . 4.014 3.060 2.879 3.176 . 0 0 "[ . 1]" 1
510 1 8 CYS HA 1 11 TYR QD 2.686 . 3.588 2.974 2.635 3.245 . 0 0 "[ . 1]" 1
511 1 4 ASP HA 1 7 ARG HE 3.710 . 5.431 4.306 2.897 5.577 0.146 2 0 "[ . 1]" 1
512 1 25 PHE HZ 1 41 ASP HA 3.533 . 5.093 4.075 3.826 4.284 . 0 0 "[ . 1]" 1
513 1 5 THR H 1 5 THR HB 2.808 . 3.794 2.508 2.477 2.528 . 0 0 "[ . 1]" 1
514 1 60 LYS H 1 60 LYS HA 2.337 . 3.020 2.914 2.832 2.940 . 0 0 "[ . 1]" 1
515 1 2 PRO HA 1 33 TRP HZ2 2.685 . 3.586 2.758 2.492 2.966 . 0 0 "[ . 1]" 1
516 1 61 ILE H 1 61 ILE HA 2.422 . 3.156 2.898 2.890 2.920 . 0 0 "[ . 1]" 1
517 1 18 SER H 1 18 SER HB3 2.387 . 6.000 3.516 2.769 3.895 . 0 0 "[ . 1]" 1
518 1 18 SER HB3 1 20 VAL H 2.990 . 4.108 3.042 2.651 3.457 . 0 0 "[ . 1]" 1
519 1 5 THR HB 1 7 ARG H 3.812 . 5.628 4.751 4.582 4.910 . 0 0 "[ . 1]" 1
520 1 74 LYS HA 1 76 TRP H 2.945 . 4.029 3.761 3.452 3.985 . 0 0 "[ . 1]" 1
521 1 82 ILE H 1 82 ILE HA 2.638 . 3.508 2.836 2.784 2.905 . 0 0 "[ . 1]" 1
522 1 50 GLN HA 1 51 ASP H 3.175 . 4.435 3.473 3.389 3.552 . 0 0 "[ . 1]" 1
523 1 5 THR HB 1 6 SER H 2.207 . 2.816 2.526 2.334 2.716 . 0 0 "[ . 1]" 1
524 1 32 SER H 1 32 SER HA 2.884 . 3.924 2.936 2.918 2.941 . 0 0 "[ . 1]" 1
525 1 57 VAL HA 1 76 TRP HZ3 2.635 . 3.503 3.030 2.961 3.083 . 0 0 "[ . 1]" 1
526 1 25 PHE QD 1 40 VAL HA 2.606 . 3.455 3.134 3.012 3.209 . 0 0 "[ . 1]" 1
527 1 25 PHE HA 1 25 PHE QD 2.672 . 3.564 3.119 3.074 3.162 . 0 0 "[ . 1]" 1
528 1 28 PHE HA 1 28 PHE QD 2.247 . 2.878 2.409 2.096 2.694 . 0 0 "[ . 1]" 1
529 1 11 TYR HA 1 11 TYR QE 3.020 . 4.160 4.246 4.205 4.285 0.125 2 0 "[ . 1]" 1
530 1 28 PHE HA 1 28 PHE QE 3.103 . 4.306 4.217 4.104 4.326 0.020 1 0 "[ . 1]" 1
531 1 46 PHE HA 1 46 PHE QD 2.421 . 3.154 3.506 2.919 3.631 0.477 8 0 "[ . 1]" 1
532 1 55 HIS HD2 1 81 GLU HA 2.758 . 3.709 2.451 2.105 3.482 . 0 0 "[ . 1]" 1
533 1 23 LYS HA 1 25 PHE QD 3.115 . 4.328 2.995 2.926 3.085 . 0 0 "[ . 1]" 1
534 1 54 GLY HA3 1 67 GLN QE 3.346 . 4.745 3.310 2.699 3.875 . 0 0 "[ . 1]" 1
535 1 55 HIS HD2 1 80 LYS HA 3.313 . 4.685 4.341 3.689 4.760 0.075 10 0 "[ . 1]" 1
536 1 25 PHE QD 1 41 ASP HA 2.644 . 3.518 3.166 3.089 3.237 . 0 0 "[ . 1]" 1
537 1 48 THR HA 1 50 GLN QE 3.363 . 4.777 2.794 1.932 3.448 0.017 1 0 "[ . 1]" 1
538 1 50 GLN HA 1 52 LYS H 3.163 . 4.414 4.165 3.933 4.441 0.027 7 0 "[ . 1]" 1
539 1 49 CYS HA 1 52 LYS H 3.295 . 4.652 3.514 3.248 3.709 . 0 0 "[ . 1]" 1
540 1 74 LYS HA 1 76 TRP HD1 3.416 . 6.000 5.459 5.314 5.606 . 0 0 "[ . 1]" 1
541 1 2 PRO HA 1 33 TRP HH2 3.283 . 4.630 4.528 4.084 4.669 0.039 7 0 "[ . 1]" 1
542 1 2 PRO HA 1 33 TRP HD1 3.260 . 6.000 5.769 5.386 6.019 0.019 6 0 "[ . 1]" 1
543 1 75 ARG HA 1 76 TRP HD1 3.363 . 4.777 4.185 4.016 4.307 . 0 0 "[ . 1]" 1
544 1 18 SER HB3 1 19 LYS H 2.828 . 3.828 2.443 1.863 3.204 . 0 0 "[ . 1]" 1
545 1 74 LYS H 1 74 LYS HA 2.266 . 2.908 2.862 2.795 2.928 0.020 1 0 "[ . 1]" 1
546 1 61 ILE HA 1 62 ARG H 1.909 . 2.364 2.212 2.135 2.334 . 0 0 "[ . 1]" 1
547 1 2 PRO HA 1 4 ASP H 3.502 . 5.035 4.664 4.460 4.900 . 0 0 "[ . 1]" 1
548 1 3 ARG HA 1 4 ASP H 2.779 . 3.744 3.559 3.539 3.575 . 0 0 "[ . 1]" 1
549 1 6 SER HA 1 9 VAL H 2.842 . 3.852 3.741 3.499 3.823 . 0 0 "[ . 1]" 1
550 1 50 GLN H 1 50 GLN HA 2.545 . 3.355 2.795 2.712 2.829 . 0 0 "[ . 1]" 1
551 1 49 CYS H 1 49 CYS HA 2.951 . 4.039 2.708 2.672 2.744 . 0 0 "[ . 1]" 1
552 1 74 LYS HA 1 75 ARG H 2.343 . 6.000 3.453 3.378 3.513 . 0 0 "[ . 1]" 1
553 1 75 ARG H 1 75 ARG HA 2.451 . 3.202 2.924 2.909 2.940 . 0 0 "[ . 1]" 1
554 1 64 LEU H 1 82 ILE HA 3.148 . 4.387 4.265 3.847 4.447 0.060 1 0 "[ . 1]" 1
555 1 77 THR H 1 77 THR HB 2.472 . 3.236 2.668 2.576 2.755 . 0 0 "[ . 1]" 1
556 1 37 THR H 1 37 THR HB 2.352 . 3.043 2.575 2.478 2.704 . 0 0 "[ . 1]" 1
557 1 77 THR HB 1 78 CYS H 2.929 . 4.001 3.948 3.771 4.059 0.058 1 0 "[ . 1]" 1
558 1 16 ILE H 1 37 THR HB 2.990 . 4.107 3.942 3.778 4.144 0.037 6 0 "[ . 1]" 1
559 1 57 VAL H 1 77 THR HB 3.292 . 4.646 4.431 3.997 4.650 0.004 4 0 "[ . 1]" 1
560 1 76 TRP HA 1 76 TRP HE1 3.774 . 5.555 5.029 4.934 5.114 . 0 0 "[ . 1]" 1
561 1 73 LEU HA 1 76 TRP HE1 3.827 . 5.658 5.654 5.554 5.725 0.067 5 0 "[ . 1]" 1
562 1 2 PRO HA 1 33 TRP HE1 2.776 . 3.739 3.550 3.279 3.771 0.032 5 0 "[ . 1]" 1
563 1 2 PRO HD3 1 33 TRP HE1 3.643 . 5.302 4.749 4.545 4.914 . 0 0 "[ . 1]" 1
564 1 33 TRP HB2 1 33 TRP HE1 3.532 . 5.092 4.744 4.734 4.751 . 0 0 "[ . 1]" 1
565 1 28 PHE H 1 29 GLY HA2 3.951 . 5.902 5.636 5.518 5.735 . 0 0 "[ . 1]" 1
566 1 22 PRO HD2 1 25 PHE H 3.833 . 5.669 5.427 5.292 5.557 . 0 0 "[ . 1]" 1
567 1 13 GLY HA3 1 39 CYS H 3.629 . 5.275 3.644 3.416 3.736 . 0 0 "[ . 1]" 1
568 1 34 ARG H 1 34 ARG HA 2.672 . 3.565 2.844 2.817 2.891 . 0 0 "[ . 1]" 1
569 1 71 CYS H 1 71 CYS HB3 3.158 . 4.405 3.507 3.471 3.545 . 0 0 "[ . 1]" 1
570 1 71 CYS H 1 72 PRO HD3 4.059 . 6.119 5.106 4.955 5.468 . 0 0 "[ . 1]" 1
571 1 13 GLY HA3 1 41 ASP H 3.567 . 5.158 4.275 4.159 4.426 . 0 0 "[ . 1]" 1
572 1 21 CYS H 1 22 PRO HD3 3.488 . 5.009 4.809 4.727 4.905 . 0 0 "[ . 1]" 1
573 1 21 CYS H 1 22 PRO HD2 3.450 . 4.938 4.764 4.722 4.816 . 0 0 "[ . 1]" 1
574 1 9 VAL H 1 9 VAL HA 2.327 . 3.004 2.755 2.730 2.773 . 0 0 "[ . 1]" 1
575 1 43 THR H 1 44 SER HB2 3.482 . 4.998 5.168 4.691 5.823 0.825 8 1 "[ . + 1]" 1
576 1 9 VAL HA 1 13 GLY H 2.588 . 3.425 3.444 3.401 3.468 0.043 2 0 "[ . 1]" 1
577 1 18 SER HB2 1 19 LYS H 2.937 . 4.015 3.436 2.991 3.592 . 0 0 "[ . 1]" 1
578 1 5 THR HA 1 8 CYS H 2.544 . 3.353 3.232 3.136 3.378 0.025 6 0 "[ . 1]" 1
579 1 6 SER H 1 6 SER HA 2.277 . 2.925 2.819 2.794 2.846 . 0 0 "[ . 1]" 1
580 1 69 GLY HA3 1 70 LEU H 2.597 . 3.440 2.620 2.337 2.807 . 0 0 "[ . 1]" 1
581 1 29 GLY H 1 29 GLY HA2 2.224 . 2.842 2.285 2.277 2.291 . 0 0 "[ . 1]" 1
582 1 7 ARG HA 1 10 GLY H 3.104 . 4.309 4.337 4.252 4.391 0.082 3 0 "[ . 1]" 1
583 1 75 ARG HA 1 76 TRP H 2.855 . 3.874 3.202 3.122 3.287 . 0 0 "[ . 1]" 1
584 1 69 GLY H 1 69 GLY HA3 2.856 . 3.875 2.924 2.893 2.951 . 0 0 "[ . 1]" 1
585 1 7 ARG H 1 7 ARG HA 2.611 . 3.463 2.845 2.776 2.878 . 0 0 "[ . 1]" 1
586 1 37 THR HB 1 38 CYS H 3.309 . 4.678 3.898 3.800 4.006 . 0 0 "[ . 1]" 1
587 1 6 SER HA 1 7 ARG H 3.076 . 4.259 3.458 3.411 3.506 . 0 0 "[ . 1]" 1
588 1 29 GLY HA2 1 30 THR H 2.350 . 3.040 3.061 3.017 3.116 0.076 3 0 "[ . 1]" 1
589 1 69 GLY HA2 1 70 LEU H 2.471 . 3.234 2.425 2.261 2.687 . 0 0 "[ . 1]" 1
590 1 13 GLY H 1 13 GLY HA3 2.395 . 3.112 2.935 2.931 2.938 . 0 0 "[ . 1]" 1
591 1 32 SER H 1 32 SER QB 2.656 . 3.175 2.472 2.385 2.880 . 0 0 "[ . 1]" 1
592 1 12 HIS H 1 12 HIS HB3 2.899 . 3.950 3.805 3.751 3.835 . 0 0 "[ . 1]" 1
593 1 13 GLY HA3 1 14 TYR H 2.347 . 3.036 2.489 2.396 2.590 . 0 0 "[ . 1]" 1
594 1 44 SER HB2 1 45 ASP H 3.003 . 4.130 2.939 2.022 3.838 . 0 0 "[ . 1]" 1
595 1 44 SER HB3 1 45 ASP H 3.068 . 4.245 3.083 2.314 3.696 . 0 0 "[ . 1]" 1
596 1 69 GLY H 1 69 GLY HA2 2.815 . 3.805 2.449 2.323 2.639 . 0 0 "[ . 1]" 1
597 1 44 SER H 1 44 SER HB2 2.820 . 3.814 2.737 2.507 3.600 . 0 0 "[ . 1]" 1
598 1 44 SER H 1 44 SER HB3 2.861 . 3.884 3.148 2.514 3.684 . 0 0 "[ . 1]" 1
599 1 34 ARG HA 1 35 GLN H 2.527 . 6.000 3.424 3.392 3.463 . 0 0 "[ . 1]" 1
600 1 71 CYS HB3 1 76 TRP H 3.530 . 5.087 5.129 4.890 5.244 0.157 1 0 "[ . 1]" 1
601 1 18 SER HB2 1 20 VAL H 2.785 . 3.754 3.351 2.863 4.246 0.492 8 0 "[ . 1]" 1
602 1 18 SER H 1 18 SER HB2 2.417 . 3.147 2.827 2.551 3.188 0.041 9 0 "[ . 1]" 1
603 1 2 PRO HD3 1 33 TRP HZ2 3.701 . 6.000 5.921 5.390 6.040 0.040 1 0 "[ . 1]" 1
604 1 10 GLY HA3 1 11 TYR H 2.461 . 3.218 3.060 2.995 3.110 . 0 0 "[ . 1]" 1
605 1 52 LYS H 1 53 GLY HA2 3.412 . 4.867 4.860 4.685 4.960 0.093 4 0 "[ . 1]" 1
606 1 10 GLY HA3 1 11 TYR QD 3.391 . 4.828 4.674 4.248 4.812 . 0 0 "[ . 1]" 1
607 1 33 TRP HB2 1 33 TRP HE3 2.572 . 6.000 4.233 4.208 4.252 . 0 0 "[ . 1]" 1
608 1 3 ARG H 1 32 SER QB 3.631 . 5.279 3.466 3.135 3.654 . 0 0 "[ . 1]" 1
609 1 33 TRP HB2 1 33 TRP HD1 2.250 . 2.883 2.554 2.537 2.569 . 0 0 "[ . 1]" 1
610 1 72 PRO HD2 1 76 TRP HE3 3.958 . 5.916 5.619 5.374 5.975 0.059 8 0 "[ . 1]" 1
611 1 28 PHE QD 1 29 GLY HA2 3.625 . 5.267 5.291 5.136 5.380 0.113 10 0 "[ . 1]" 1
612 1 22 PRO HD3 1 25 PHE QD 3.540 . 5.106 5.088 4.955 5.140 0.034 5 0 "[ . 1]" 1
613 1 44 SER HB2 1 46 PHE QE 3.602 . 5.224 5.044 3.430 5.525 0.301 2 0 "[ . 1]" 1
614 1 22 PRO HD2 1 25 PHE QD 3.120 . 4.337 3.848 3.626 3.918 . 0 0 "[ . 1]" 1
615 1 71 CYS HB3 1 76 TRP HE3 3.385 . 4.817 4.248 3.998 4.535 . 0 0 "[ . 1]" 1
616 1 33 TRP HB2 1 35 GLN HE22 3.778 . 5.562 5.136 4.555 5.580 0.018 4 0 "[ . 1]" 1
617 1 13 GLY HA3 1 14 TYR QD 3.257 . 4.583 4.541 4.221 4.639 0.056 10 0 "[ . 1]" 1
618 1 10 GLY HA3 1 11 TYR QE 3.781 . 5.568 5.353 4.817 5.548 . 0 0 "[ . 1]" 1
619 1 7 ARG HA 1 11 TYR QE 3.764 . 5.535 3.876 3.542 4.229 . 0 0 "[ . 1]" 1
620 1 25 PHE HB2 1 25 PHE QD 2.287 . 2.941 2.503 2.459 2.569 . 0 0 "[ . 1]" 1
621 1 56 CYS HB2 1 76 TRP HE3 2.641 . 3.513 3.430 3.079 3.552 0.039 8 0 "[ . 1]" 1
622 1 24 PRO HD2 1 25 PHE QD 2.573 . 3.401 3.428 3.388 3.460 0.059 8 0 "[ . 1]" 1
623 1 56 CYS HB2 1 76 TRP HZ3 2.984 . 4.097 3.784 3.587 4.075 . 0 0 "[ . 1]" 1
624 1 11 TYR HB3 1 11 TYR QD 2.437 . 3.180 2.713 2.619 2.754 . 0 0 "[ . 1]" 1
625 1 58 SER HB2 1 76 TRP HH2 3.441 . 4.921 4.663 3.566 5.048 0.127 3 0 "[ . 1]" 1
626 1 58 SER H 1 58 SER HB2 2.785 . 3.754 3.347 2.701 3.560 . 0 0 "[ . 1]" 1
627 1 58 SER HB2 1 76 TRP HD1 3.277 . 4.619 4.814 4.501 5.572 0.953 1 2 "[+ . - 1]" 1
628 1 58 SER HB2 1 60 LYS H 3.276 . 4.617 3.171 2.310 4.233 . 0 0 "[ . 1]" 1
629 1 58 SER HB2 1 76 TRP HZ2 2.850 . 3.865 3.531 2.506 3.892 0.027 1 0 "[ . 1]" 1
630 1 11 TYR H 1 11 TYR HB3 2.656 . 3.538 3.607 3.586 3.634 0.096 2 0 "[ . 1]" 1
631 1 24 PRO HD2 1 25 PHE QE 2.797 . 3.775 2.882 2.761 2.953 . 0 0 "[ . 1]" 1
632 1 2 PRO HD2 1 5 THR H 3.607 . 5.234 4.025 3.618 4.381 . 0 0 "[ . 1]" 1
633 1 59 PRO HD2 1 60 LYS H 2.881 . 3.919 3.165 2.953 3.421 . 0 0 "[ . 1]" 1
634 1 59 PRO HD2 1 76 TRP HZ2 3.562 . 5.148 4.971 4.486 5.152 0.004 3 0 "[ . 1]" 1
635 1 33 TRP HB3 1 33 TRP HE3 2.517 . 3.309 3.288 3.184 3.336 0.027 1 0 "[ . 1]" 1
636 1 59 PRO HD2 1 76 TRP HD1 2.840 . 3.848 3.867 3.777 3.913 0.065 1 0 "[ . 1]" 1
637 1 54 GLY HA2 1 67 GLN QE 3.579 . 4.888 3.071 2.061 3.568 . 0 0 "[ . 1]" 1
638 1 56 CYS HB3 1 76 TRP HZ3 2.741 . 3.680 3.589 3.370 3.719 0.039 5 0 "[ . 1]" 1
639 1 76 TRP QB 1 76 TRP HZ3 2.916 . 6.000 4.613 4.590 4.640 . 0 0 "[ . 1]" 1
640 1 56 CYS HB3 1 76 TRP HE3 2.398 . 3.117 2.161 1.972 2.259 . 0 0 "[ . 1]" 1
641 1 76 TRP QB 1 76 TRP HE3 2.535 . 3.338 2.387 2.366 2.434 . 0 0 "[ . 1]" 1
642 1 46 PHE QB 1 46 PHE QD 2.369 . 3.045 2.138 2.087 2.252 . 0 0 "[ . 1]" 1
643 1 46 PHE QB 1 46 PHE QE 3.113 . 4.324 3.912 3.893 3.945 . 0 0 "[ . 1]" 1
644 1 8 CYS QB 1 11 TYR QD 3.622 . 6.000 4.813 4.458 5.060 . 0 0 "[ . 1]" 1
645 1 47 HIS HB2 1 47 HIS HD2 3.121 . 4.339 2.834 2.667 3.699 . 0 0 "[ . 1]" 1
646 1 76 TRP QB 1 76 TRP HD1 2.829 . 3.829 3.007 2.904 3.065 . 0 0 "[ . 1]" 1
647 1 8 CYS QB 1 11 TYR H 3.432 . 4.905 4.660 4.588 4.762 . 0 0 "[ . 1]" 1
648 1 11 TYR HB3 1 11 TYR QE 3.360 . 4.772 4.491 4.469 4.508 . 0 0 "[ . 1]" 1
649 1 28 PHE HB2 1 28 PHE QE 3.159 . 4.407 4.349 4.340 4.356 . 0 0 "[ . 1]" 1
650 1 28 PHE HZ 1 46 PHE QB 3.567 . 5.158 4.093 3.550 4.899 . 0 0 "[ . 1]" 1
651 1 55 HIS HB2 1 55 HIS HD2 2.915 . 3.977 2.912 2.755 3.049 . 0 0 "[ . 1]" 1
652 1 11 TYR HB2 1 11 TYR QD 2.392 . 3.107 2.296 2.266 2.330 . 0 0 "[ . 1]" 1
653 1 28 PHE HB2 1 28 PHE QD 2.266 . 2.908 2.249 2.237 2.261 . 0 0 "[ . 1]" 1
654 1 51 ASP HB2 1 52 LYS H 2.843 . 3.853 3.668 2.719 3.940 0.087 5 0 "[ . 1]" 1
655 1 58 SER HB3 1 76 TRP HH2 3.150 . 4.390 3.546 3.195 4.370 . 0 0 "[ . 1]" 1
656 1 58 SER H 1 58 SER HB3 2.489 . 3.263 2.532 2.270 2.972 . 0 0 "[ . 1]" 1
657 1 11 TYR H 1 11 TYR HB2 2.423 . 3.157 2.378 2.332 2.462 . 0 0 "[ . 1]" 1
658 1 58 SER HB3 1 60 LYS H 3.476 . 4.987 4.018 3.180 4.563 . 0 0 "[ . 1]" 1
659 1 58 SER HB3 1 76 TRP HZ2 2.896 . 3.944 2.949 2.378 4.005 0.061 9 0 "[ . 1]" 1
660 1 58 SER HB3 1 61 ILE H 3.582 . 5.186 4.645 3.490 5.296 0.110 1 0 "[ . 1]" 1
661 1 69 GLY H 1 78 CYS HB3 3.681 . 5.375 3.939 3.121 4.699 . 0 0 "[ . 1]" 1
662 1 11 TYR HB3 1 12 HIS H 3.641 . 5.298 3.098 2.955 3.311 . 0 0 "[ . 1]" 1
663 1 11 TYR HB3 1 13 GLY H 3.540 . 5.107 5.003 4.891 5.127 0.020 2 0 "[ . 1]" 1
664 1 2 PRO HD2 1 6 SER H 2.475 . 6.000 4.662 4.345 4.955 . 0 0 "[ . 1]" 1
665 1 54 GLY H 1 54 GLY HA2 2.261 . 2.900 2.832 2.723 2.908 0.008 10 0 "[ . 1]" 1
666 1 76 TRP H 1 76 TRP QB 2.579 . 3.410 2.415 2.365 2.471 . 0 0 "[ . 1]" 1
667 1 65 GLU H 1 79 CYS QB 3.314 . 4.687 4.366 4.106 4.587 . 0 0 "[ . 1]" 1
668 1 7 ARG H 1 8 CYS QB 3.910 . 5.821 4.282 4.105 4.523 . 0 0 "[ . 1]" 1
669 1 79 CYS QB 1 81 GLU H 3.288 . 6.000 4.796 4.658 4.891 . 0 0 "[ . 1]" 1
670 1 8 CYS QB 1 10 GLY H 3.818 . 5.640 4.754 4.635 4.972 . 0 0 "[ . 1]" 1
671 1 46 PHE H 1 46 PHE QB 2.683 . 3.583 2.335 2.239 2.502 . 0 0 "[ . 1]" 1
672 1 51 ASP H 1 51 ASP HB2 2.593 . 3.433 2.538 2.399 2.753 . 0 0 "[ . 1]" 1
673 1 30 THR H 1 38 CYS HB3 3.415 . 4.873 4.846 4.579 4.918 0.045 4 0 "[ . 1]" 1
674 1 31 CYS H 1 38 CYS HB3 3.483 . 5.000 4.696 4.406 5.007 0.007 3 0 "[ . 1]" 1
675 1 69 GLY H 1 78 CYS HB2 3.654 . 5.323 5.009 4.579 5.350 0.027 1 0 "[ . 1]" 1
676 1 38 CYS H 1 38 CYS HB3 2.567 . 3.391 2.693 2.600 2.853 . 0 0 "[ . 1]" 1
677 1 71 CYS HB2 1 76 TRP H 3.594 . 5.208 4.106 3.859 4.291 . 0 0 "[ . 1]" 1
678 1 67 GLN H 1 78 CYS HB3 3.647 . 5.309 3.410 3.024 3.745 . 0 0 "[ . 1]" 1
679 1 21 CYS H 1 25 PHE HB2 3.551 . 6.000 5.763 5.638 5.905 . 0 0 "[ . 1]" 1
680 1 2 PRO HD2 1 4 ASP H 4.142 . 6.287 5.471 4.928 5.790 . 0 0 "[ . 1]" 1
681 1 54 GLY HA2 1 55 HIS H 2.360 . 3.056 2.096 2.076 2.141 . 0 0 "[ . 1]" 1
682 1 8 CYS QB 1 9 VAL H 2.487 . 3.260 2.676 2.560 2.784 . 0 0 "[ . 1]" 1
683 1 67 GLN H 1 79 CYS QB 3.501 . 5.034 4.731 4.562 4.810 . 0 0 "[ . 1]" 1
684 1 67 GLN H 1 78 CYS HB2 3.747 . 5.502 5.015 4.675 5.360 . 0 0 "[ . 1]" 1
685 1 8 CYS H 1 8 CYS QB 2.343 . 2.916 2.134 2.059 2.176 . 0 0 "[ . 1]" 1
686 1 46 PHE QB 1 47 HIS H 2.826 . 3.824 3.619 3.379 3.698 . 0 0 "[ . 1]" 1
687 1 47 HIS H 1 47 HIS HB2 2.794 . 3.770 2.399 2.110 2.740 . 0 0 "[ . 1]" 1
688 1 63 CYS H 1 63 CYS HB2 2.456 . 3.210 3.211 3.141 3.258 0.048 9 0 "[ . 1]" 1
689 1 76 TRP QB 1 77 THR H 2.725 . 3.653 2.710 2.476 3.144 . 0 0 "[ . 1]" 1
690 1 79 CYS QB 1 80 LYS H 2.818 . 3.811 3.509 3.366 3.576 . 0 0 "[ . 1]" 1
691 1 78 CYS H 1 78 CYS HB3 2.422 . 3.156 2.529 2.451 2.636 . 0 0 "[ . 1]" 1
692 1 56 CYS H 1 56 CYS HB2 2.438 . 3.181 2.534 2.387 2.604 . 0 0 "[ . 1]" 1
693 1 78 CYS HB3 1 79 CYS H 3.288 . 4.639 4.300 4.166 4.406 . 0 0 "[ . 1]" 1
694 1 25 PHE H 1 25 PHE HB2 2.307 . 2.972 2.774 2.728 2.814 . 0 0 "[ . 1]" 1
695 1 24 PRO HD2 1 25 PHE H 3.041 . 6.000 5.044 5.003 5.104 . 0 0 "[ . 1]" 1
696 1 56 CYS HB2 1 57 VAL H 3.323 . 4.704 4.372 4.316 4.416 . 0 0 "[ . 1]" 1
697 1 79 CYS H 1 79 CYS QB 2.603 . 3.393 2.288 2.170 2.363 . 0 0 "[ . 1]" 1
698 1 56 CYS HB3 1 57 VAL H 3.110 . 4.319 3.501 3.400 3.605 . 0 0 "[ . 1]" 1
699 1 57 VAL H 1 76 TRP QB 3.393 . 4.832 3.213 3.077 3.612 . 0 0 "[ . 1]" 1
700 1 58 SER HB2 1 76 TRP HE1 3.230 . 4.534 3.580 3.148 4.316 . 0 0 "[ . 1]" 1
701 1 32 SER QB 1 33 TRP HE1 4.055 . 6.111 4.338 4.236 4.425 . 0 0 "[ . 1]" 1
702 1 59 PRO HD2 1 76 TRP HE1 3.001 . 4.126 3.571 3.349 3.668 . 0 0 "[ . 1]" 1
703 1 58 SER HB3 1 76 TRP HE1 3.570 . 5.164 3.786 3.225 4.866 . 0 0 "[ . 1]" 1
704 1 59 PRO HD3 1 76 TRP HE1 2.994 . 4.115 4.166 4.118 4.201 0.086 5 0 "[ . 1]" 1
705 1 38 CYS HB3 1 39 CYS H 3.499 . 5.029 4.193 3.843 4.300 . 0 0 "[ . 1]" 1
706 1 28 PHE H 1 38 CYS HB3 3.467 . 4.970 3.641 3.529 3.724 . 0 0 "[ . 1]" 1
707 1 28 PHE H 1 28 PHE HB2 2.527 . 3.325 2.224 2.160 2.269 . 0 0 "[ . 1]" 1
708 1 78 CYS HB2 1 79 CYS H 3.259 . 4.586 4.380 4.233 4.501 . 0 0 "[ . 1]" 1
709 1 78 CYS H 1 78 CYS HB2 2.502 . 3.284 2.592 2.497 2.691 . 0 0 "[ . 1]" 1
710 1 28 PHE HB2 1 40 VAL H 3.577 . 5.177 3.303 3.185 3.439 . 0 0 "[ . 1]" 1
711 1 55 HIS HB2 1 56 CYS H 2.822 . 3.817 3.639 3.389 3.885 0.068 9 0 "[ . 1]" 1
712 1 71 CYS H 1 71 CYS HB2 2.826 . 3.824 2.219 2.170 2.276 . 0 0 "[ . 1]" 1
713 1 55 HIS H 1 55 HIS HB2 2.673 . 3.566 2.420 2.323 2.483 . 0 0 "[ . 1]" 1
714 1 15 CYS H 1 15 CYS HB2 2.441 . 3.186 2.720 2.614 3.075 . 0 0 "[ . 1]" 1
715 1 49 CYS H 1 49 CYS HB3 2.427 . 3.163 2.378 2.082 2.794 . 0 0 "[ . 1]" 1
716 1 41 ASP H 1 41 ASP HB3 2.364 . 3.063 2.515 2.330 2.767 . 0 0 "[ . 1]" 1
717 1 63 CYS HB3 1 64 LEU H 3.473 . 4.981 3.883 3.782 4.041 . 0 0 "[ . 1]" 1
718 1 63 CYS H 1 63 CYS HB3 2.722 . 3.648 2.673 2.618 2.732 . 0 0 "[ . 1]" 1
719 1 55 HIS H 1 79 CYS QB 3.391 . 4.829 3.733 3.507 3.998 . 0 0 "[ . 1]" 1
720 1 4 ASP H 1 4 ASP HB3 2.869 . 3.898 3.712 3.686 3.734 . 0 0 "[ . 1]" 1
721 1 41 ASP HB3 1 43 THR H 3.534 . 5.095 5.196 4.764 5.853 0.759 9 4 "[ * - * +1]" 1
722 1 49 CYS HB3 1 67 GLN H 4.178 . 6.360 5.843 5.068 6.955 0.595 6 1 "[ .+ 1]" 1
723 1 11 TYR HB2 1 13 GLY H 3.242 . 4.556 4.314 4.219 4.414 . 0 0 "[ . 1]" 1
724 1 11 TYR HB2 1 12 HIS H 3.042 . 4.199 2.291 2.170 2.397 . 0 0 "[ . 1]" 1
725 1 28 PHE HB2 1 29 GLY H 3.449 . 4.936 4.622 4.604 4.636 . 0 0 "[ . 1]" 1
726 1 57 VAL H 1 79 CYS QB 3.706 . 5.423 3.634 3.444 3.883 . 0 0 "[ . 1]" 1
727 1 25 PHE H 1 25 PHE HB3 2.632 . 6.000 3.837 3.812 3.860 . 0 0 "[ . 1]" 1
728 1 25 PHE HB3 1 39 CYS H 3.784 . 6.000 5.989 5.901 6.018 0.018 10 0 "[ . 1]" 1
729 1 25 PHE HB3 1 40 VAL H 3.186 . 4.455 4.139 3.914 4.358 . 0 0 "[ . 1]" 1
730 1 25 PHE HB3 1 26 ALA H 2.486 . 3.259 2.940 2.748 3.104 . 0 0 "[ . 1]" 1
731 1 28 PHE H 1 28 PHE HB3 2.567 . 3.391 3.293 3.156 3.385 . 0 0 "[ . 1]" 1
732 1 59 PRO HD3 1 77 THR H 3.706 . 5.423 4.758 4.533 4.968 . 0 0 "[ . 1]" 1
733 1 50 GLN H 1 50 GLN HG3 3.390 . 4.826 3.717 3.516 3.838 . 0 0 "[ . 1]" 1
734 1 62 ARG H 1 63 CYS HB3 3.522 . 5.073 5.219 5.058 5.403 0.330 4 0 "[ . 1]" 1
735 1 41 ASP HB3 1 42 THR H 3.124 . 4.344 4.429 4.372 4.480 0.136 7 0 "[ . 1]" 1
736 1 28 PHE HB3 1 29 GLY H 3.110 . 4.319 4.151 4.104 4.195 . 0 0 "[ . 1]" 1
737 1 29 GLY H 1 52 LYS QE 3.642 . 5.300 3.915 3.234 4.883 . 0 0 "[ . 1]" 1
738 1 30 THR H 1 52 LYS QE 3.315 . 4.689 3.216 2.603 4.119 . 0 0 "[ . 1]" 1
739 1 10 GLY H 1 11 TYR HB2 3.625 . 5.267 4.442 4.329 4.615 . 0 0 "[ . 1]" 1
740 1 51 ASP H 1 51 ASP HB3 2.810 . 3.797 2.764 2.341 3.604 . 0 0 "[ . 1]" 1
741 1 79 CYS QB 1 82 ILE H 3.695 . 5.402 5.123 4.856 5.304 . 0 0 "[ . 1]" 1
742 1 4 ASP HB3 1 7 ARG H 3.977 . 5.954 4.749 4.422 5.036 . 0 0 "[ . 1]" 1
743 1 35 GLN H 1 35 GLN HG3 2.485 . 3.257 2.424 1.896 3.204 . 0 0 "[ . 1]" 1
744 1 59 PRO HD3 1 76 TRP H 3.736 . 5.481 4.380 4.228 4.541 . 0 0 "[ . 1]" 1
745 1 4 ASP H 1 4 ASP HB2 2.657 . 3.539 2.528 2.480 2.568 . 0 0 "[ . 1]" 1
746 1 15 CYS H 1 15 CYS HB3 2.670 . 6.000 3.516 2.708 3.805 . 0 0 "[ . 1]" 1
747 1 14 TYR H 1 39 CYS HB3 3.442 . 4.923 4.954 4.873 4.993 0.070 1 0 "[ . 1]" 1
748 1 4 ASP HB2 1 8 CYS H 3.755 . 5.517 5.042 4.778 5.270 . 0 0 "[ . 1]" 1
749 1 35 GLN HG2 1 36 LYS H 3.357 . 4.765 4.259 3.190 4.964 0.199 5 0 "[ . 1]" 1
750 1 30 THR H 1 38 CYS HB2 3.497 . 5.025 4.481 4.157 4.751 . 0 0 "[ . 1]" 1
751 1 50 GLN HG3 1 51 ASP H 3.710 . 5.431 3.948 2.478 4.528 . 0 0 "[ . 1]" 1
752 1 45 ASP H 1 45 ASP HB2 2.529 . 3.328 2.964 2.400 3.654 0.326 1 0 "[ . 1]" 1
753 1 35 GLN H 1 35 GLN HG2 2.601 . 3.447 2.544 1.939 3.162 . 0 0 "[ . 1]" 1
754 1 31 CYS H 1 38 CYS HB2 3.734 . 5.477 3.053 2.697 3.320 . 0 0 "[ . 1]" 1
755 1 35 GLN HE21 1 35 GLN HG3 2.840 . 3.848 2.655 2.231 2.942 . 0 0 "[ . 1]" 1
756 1 59 PRO HD3 1 60 LYS H 3.399 . 4.843 4.143 3.979 4.324 . 0 0 "[ . 1]" 1
757 1 25 PHE QE 1 41 ASP HB3 2.911 . 3.971 3.571 2.680 4.067 0.096 4 0 "[ . 1]" 1
758 1 59 PRO HD3 1 76 TRP HD1 2.581 . 3.414 3.258 3.152 3.457 0.043 8 0 "[ . 1]" 1
759 1 25 PHE HZ 1 41 ASP HB3 3.311 . 4.681 3.671 2.527 4.386 . 0 0 "[ . 1]" 1
760 1 33 TRP HD1 1 35 GLN HG3 3.499 . 5.030 4.239 3.250 5.105 0.075 3 0 "[ . 1]" 1
761 1 55 HIS HD2 1 79 CYS QB 3.737 . 5.482 5.159 4.613 5.309 . 0 0 "[ . 1]" 1
762 1 25 PHE HB3 1 25 PHE QD 2.305 . 2.969 2.287 2.261 2.309 . 0 0 "[ . 1]" 1
763 1 28 PHE HB3 1 28 PHE QD 2.341 . 3.026 2.644 2.584 2.707 . 0 0 "[ . 1]" 1
764 1 28 PHE HB3 1 28 PHE QE 3.209 . 4.496 4.460 4.442 4.481 . 0 0 "[ . 1]" 1
765 1 25 PHE QD 1 39 CYS HB3 2.663 . 3.549 2.951 2.799 3.121 . 0 0 "[ . 1]" 1
766 1 14 TYR QD 1 39 CYS HB3 3.207 . 6.000 4.807 4.701 5.116 . 0 0 "[ . 1]" 1
767 1 50 GLN QE 1 50 GLN HG3 3.189 . 3.548 3.025 2.762 3.260 . 0 0 "[ . 1]" 1
768 1 50 GLN QE 1 50 GLN HG2 3.291 . 3.927 2.412 2.143 3.321 . 0 0 "[ . 1]" 1
769 1 75 ARG HB2 1 75 ARG HE 3.457 . 4.951 3.049 1.984 4.704 . 0 0 "[ . 1]" 1
770 1 34 ARG HB3 1 34 ARG HE 3.503 . 5.037 3.091 2.013 4.446 . 0 0 "[ . 1]" 1
771 1 75 ARG HB2 1 76 TRP HD1 2.901 . 3.953 2.879 2.167 3.967 0.014 8 0 "[ . 1]" 1
772 1 4 ASP HB2 1 5 THR H 3.525 . 5.078 3.797 3.619 3.926 . 0 0 "[ . 1]" 1
773 1 63 CYS HB3 1 65 GLU H 3.799 . 5.603 4.280 4.127 4.561 . 0 0 "[ . 1]" 1
774 1 38 CYS H 1 38 CYS HB2 2.688 . 3.591 2.542 2.345 2.656 . 0 0 "[ . 1]" 1
775 1 75 ARG HB2 1 76 TRP H 3.448 . 4.934 3.792 3.502 4.287 . 0 0 "[ . 1]" 1
776 1 35 GLN H 1 35 GLN QB 2.580 . 3.412 2.583 2.510 2.633 . 0 0 "[ . 1]" 1
777 1 65 GLU H 1 65 GLU QG 3.698 . 5.408 2.363 1.881 3.050 0.115 1 0 "[ . 1]" 1
778 1 58 SER HA 1 76 TRP HZ2 3.205 . 4.489 4.422 4.289 4.538 0.049 3 0 "[ . 1]" 1
779 1 58 SER HA 1 60 LYS H 3.702 . 5.415 4.028 3.853 4.412 . 0 0 "[ . 1]" 1
780 1 22 PRO HG2 1 25 PHE QE 3.621 . 5.260 3.669 3.587 3.783 . 0 0 "[ . 1]" 1
781 1 35 GLN QB 1 35 GLN HE22 3.719 . 5.436 3.456 3.197 4.042 . 0 0 "[ . 1]" 1
782 1 52 LYS HB3 1 67 GLN QE 3.023 . 4.166 2.519 2.064 3.019 . 0 0 "[ . 1]" 1
783 1 14 TYR QD 1 16 ILE HB 3.174 . 6.000 4.834 4.707 4.986 . 0 0 "[ . 1]" 1
784 1 28 PHE QE 1 40 VAL HB 3.499 . 5.029 5.081 5.032 5.176 0.147 10 0 "[ . 1]" 1
785 1 7 ARG HG2 1 11 TYR QE 2.825 . 3.823 2.559 2.143 2.948 . 0 0 "[ . 1]" 1
786 1 14 TYR QD 1 39 CYS HB2 3.082 . 4.269 3.379 3.232 3.955 . 0 0 "[ . 1]" 1
787 1 52 LYS HB2 1 67 GLN QE 3.112 . 4.323 2.063 1.761 3.834 0.140 6 0 "[ . 1]" 1
788 1 58 SER HA 1 76 TRP HE3 3.501 . 5.033 3.963 3.790 4.208 . 0 0 "[ . 1]" 1
789 1 58 SER HA 1 76 TRP HZ3 3.652 . 5.320 4.984 4.697 5.180 . 0 0 "[ . 1]" 1
790 1 22 PRO HG2 1 25 PHE QD 2.771 . 3.731 2.787 2.720 2.880 . 0 0 "[ . 1]" 1
791 1 58 SER HA 1 76 TRP HH2 3.717 . 5.444 5.158 4.884 5.286 . 0 0 "[ . 1]" 1
792 1 58 SER HA 1 76 TRP HD1 3.013 . 4.147 3.588 3.457 3.846 . 0 0 "[ . 1]" 1
793 1 58 SER H 1 58 SER HA 2.871 . 3.901 2.843 2.816 2.858 . 0 0 "[ . 1]" 1
794 1 75 ARG HB3 1 75 ARG HE 3.406 . 4.856 3.743 3.348 4.464 . 0 0 "[ . 1]" 1
795 1 34 ARG HB2 1 34 ARG HE 3.374 . 4.797 3.887 3.090 4.766 . 0 0 "[ . 1]" 1
796 1 75 ARG HB3 1 76 TRP HD1 3.279 . 4.623 3.939 3.359 4.592 . 0 0 "[ . 1]" 1
797 1 25 PHE HZ 1 41 ASP HB2 3.054 . 4.220 3.234 2.622 4.279 0.059 9 0 "[ . 1]" 1
798 1 57 VAL HB 1 58 SER H 2.428 . 3.165 2.966 2.877 3.062 . 0 0 "[ . 1]" 1
799 1 57 VAL HB 1 76 TRP HE3 3.625 . 5.268 5.208 5.133 5.320 0.052 8 0 "[ . 1]" 1
800 1 28 PHE QD 1 40 VAL HB 2.990 . 4.108 3.671 3.458 3.893 . 0 0 "[ . 1]" 1
801 1 25 PHE QD 1 40 VAL HB 3.614 . 5.246 5.248 5.140 5.286 0.040 2 0 "[ . 1]" 1
802 1 25 PHE QD 1 39 CYS HB2 2.851 . 3.867 3.751 3.567 3.887 0.020 4 0 "[ . 1]" 1
803 1 22 PRO HB2 1 25 PHE QD 2.712 . 3.631 3.440 3.261 3.614 . 0 0 "[ . 1]" 1
804 1 57 VAL HB 1 76 TRP HZ3 3.693 . 5.398 5.405 5.320 5.477 0.079 9 0 "[ . 1]" 1
805 1 3 ARG HB2 1 33 TRP HZ3 3.013 . 4.148 4.091 3.802 4.216 0.068 9 0 "[ . 1]" 1
806 1 3 ARG HB2 1 33 TRP HH2 2.970 . 4.073 2.825 2.363 3.097 . 0 0 "[ . 1]" 1
807 1 25 PHE QE 1 41 ASP HB2 2.718 . 3.641 3.289 2.752 4.036 0.395 5 0 "[ . 1]" 1
808 1 50 GLN HB2 1 50 GLN QE 3.312 . 4.683 3.946 3.349 4.344 . 0 0 "[ . 1]" 1
809 1 17 ARG HB2 1 18 SER H 2.866 . 6.000 4.046 3.640 4.317 . 0 0 "[ . 1]" 1
810 1 16 ILE HB 1 18 SER H 2.503 . 3.286 3.100 2.902 3.325 0.039 4 0 "[ . 1]" 1
811 1 3 ARG H 1 3 ARG HB2 3.611 . 5.241 2.448 2.331 2.629 . 0 0 "[ . 1]" 1
812 1 3 ARG H 1 3 ARG HB3 3.204 . 4.487 2.568 2.462 2.661 . 0 0 "[ . 1]" 1
813 1 61 ILE H 1 61 ILE HB 2.209 . 2.819 2.542 2.470 2.626 . 0 0 "[ . 1]" 1
814 1 3 ARG HB2 1 33 TRP HZ2 3.461 . 4.959 4.174 3.828 4.585 . 0 0 "[ . 1]" 1
815 1 20 VAL H 1 20 VAL HB 2.287 . 2.941 2.795 2.723 2.908 . 0 0 "[ . 1]" 1
816 1 75 ARG HB3 1 76 TRP H 3.300 . 4.662 4.365 4.217 4.600 . 0 0 "[ . 1]" 1
817 1 58 SER HA 1 76 TRP H 3.781 . 5.568 5.027 4.909 5.239 . 0 0 "[ . 1]" 1
818 1 81 GLU HG2 1 82 ILE H 3.378 . 4.805 4.741 4.523 4.841 0.036 8 0 "[ . 1]" 1
819 1 81 GLU HG3 1 82 ILE H 3.491 . 5.014 5.054 4.935 5.200 0.186 8 0 "[ . 1]" 1
820 1 50 GLN HB3 1 51 ASP H 3.005 . 4.133 4.136 3.949 4.268 0.135 6 0 "[ . 1]" 1
821 1 9 VAL HB 1 10 GLY H 2.510 . 6.000 3.620 2.449 4.101 . 0 0 "[ . 1]" 1
822 1 81 GLU HB3 1 82 ILE H 2.860 . 3.882 3.827 3.414 3.972 0.090 3 0 "[ . 1]" 1
823 1 81 GLU HB2 1 82 ILE H 2.978 . 6.000 4.450 4.347 4.494 . 0 0 "[ . 1]" 1
824 1 81 GLU H 1 81 GLU HB2 2.997 . 4.120 3.470 3.342 3.552 . 0 0 "[ . 1]" 1
825 1 31 CYS H 1 36 LYS HB2 3.502 . 5.035 4.777 4.139 5.073 0.038 8 0 "[ . 1]" 1
826 1 7 ARG H 1 7 ARG HG2 3.228 . 4.531 4.316 4.210 4.406 . 0 0 "[ . 1]" 1
827 1 64 LEU HB3 1 65 GLU H 2.946 . 4.031 4.032 3.987 4.191 0.160 4 0 "[ . 1]" 1
828 1 7 ARG H 1 7 ARG HG3 3.213 . 6.000 4.633 4.568 4.692 . 0 0 "[ . 1]" 1
829 1 34 ARG HG3 1 35 GLN H 3.482 . 4.997 5.131 5.068 5.175 0.178 9 0 "[ . 1]" 1
830 1 64 LEU HB2 1 65 GLU H 3.178 . 4.441 4.474 4.430 4.530 0.089 4 0 "[ . 1]" 1
831 1 19 LYS HB2 1 20 VAL H 2.918 . 3.983 3.858 3.731 3.927 . 0 0 "[ . 1]" 1
832 1 60 LYS QB 1 61 ILE H 3.348 . 4.312 3.568 3.152 3.866 . 0 0 "[ . 1]" 1
833 1 17 ARG HB3 1 18 SER H 2.687 . 3.590 3.040 2.662 3.948 0.358 4 0 "[ . 1]" 1
834 1 2 PRO HB3 1 3 ARG H 2.961 . 4.057 2.797 2.446 3.064 . 0 0 "[ . 1]" 1
835 1 60 LYS H 1 60 LYS QB 2.354 . 3.047 2.624 2.365 2.879 . 0 0 "[ . 1]" 1
836 1 16 ILE HG13 1 18 SER H 2.642 . 3.514 2.430 2.344 2.480 . 0 0 "[ . 1]" 1
837 1 2 PRO HB3 1 33 TRP HZ2 3.596 . 5.213 2.853 2.552 3.400 . 0 0 "[ . 1]" 1
838 1 19 LYS HG2 1 20 VAL H 3.731 . 5.471 5.260 4.393 5.765 0.294 7 0 "[ . 1]" 1
839 1 19 LYS HG3 1 20 VAL H 3.607 . 5.233 5.062 4.364 5.639 0.406 3 0 "[ . 1]" 1
840 1 34 ARG HG2 1 35 GLN H 3.243 . 4.558 4.596 4.457 4.681 0.123 1 0 "[ . 1]" 1
841 1 82 ILE H 1 82 ILE HB 2.667 . 3.556 2.609 2.526 2.662 . 0 0 "[ . 1]" 1
842 1 80 LYS HB2 1 81 GLU H 3.318 . 4.694 4.565 4.505 4.594 . 0 0 "[ . 1]" 1
843 1 80 LYS HB3 1 81 GLU H 3.218 . 4.512 4.347 4.296 4.424 . 0 0 "[ . 1]" 1
844 1 35 GLN QB 1 36 LYS H 3.148 . 3.979 3.120 2.204 3.779 . 0 0 "[ . 1]" 1
845 1 66 GLU QG 1 67 GLN H 3.445 . 4.674 4.316 3.847 4.422 . 0 0 "[ . 1]" 1
846 1 24 PRO HG3 1 43 THR H 3.795 . 5.595 5.636 5.593 5.659 0.064 9 0 "[ . 1]" 1
847 1 9 VAL HB 1 13 GLY H 3.914 . 5.829 5.812 5.746 5.856 0.027 5 0 "[ . 1]" 1
848 1 67 GLN HG3 1 68 LEU H 3.638 . 5.292 4.000 2.867 4.442 . 0 0 "[ . 1]" 1
849 1 8 CYS H 1 9 VAL HB 3.560 . 5.145 4.930 4.860 5.062 . 0 0 "[ . 1]" 1
850 1 67 GLN HB3 1 68 LEU H 2.652 . 3.531 1.957 1.761 2.285 0.012 1 0 "[ . 1]" 1
851 1 36 LYS H 1 36 LYS HB2 2.965 . 4.064 3.721 3.617 3.809 . 0 0 "[ . 1]" 1
852 1 7 ARG HG2 1 8 CYS H 3.431 . 4.903 3.537 3.041 3.991 . 0 0 "[ . 1]" 1
853 1 22 PRO HB3 1 23 LYS H 2.652 . 3.531 3.324 3.265 3.422 . 0 0 "[ . 1]" 1
854 1 50 GLN H 1 50 GLN HG2 3.072 . 4.252 2.988 2.011 3.537 . 0 0 "[ . 1]" 1
855 1 75 ARG H 1 75 ARG HB2 3.487 . 5.007 2.797 2.371 3.667 . 0 0 "[ . 1]" 1
856 1 66 GLU H 1 66 GLU QG 3.059 . 4.229 3.143 2.897 3.855 . 0 0 "[ . 1]" 1
857 1 58 SER HA 1 77 THR H 3.334 . 4.723 4.299 4.055 4.724 0.001 9 0 "[ . 1]" 1
858 1 15 CYS HB3 1 37 THR H 3.754 . 5.515 4.912 4.500 5.531 0.016 4 0 "[ . 1]" 1
859 1 26 ALA H 1 39 CYS HB3 3.048 . 4.209 4.115 3.828 4.245 0.036 1 0 "[ . 1]" 1
860 1 39 CYS HB3 1 40 VAL H 2.996 . 4.118 3.644 3.541 3.795 . 0 0 "[ . 1]" 1
861 1 28 PHE H 1 38 CYS HB2 3.489 . 5.010 5.011 4.917 5.070 0.060 6 0 "[ . 1]" 1
862 1 38 CYS HB2 1 39 CYS H 3.375 . 4.799 4.508 4.287 4.602 . 0 0 "[ . 1]" 1
863 1 39 CYS H 1 39 CYS HB3 2.842 . 3.851 3.731 3.691 3.857 0.006 1 0 "[ . 1]" 1
864 1 22 PRO HG2 1 25 PHE H 3.767 . 5.541 4.952 4.906 5.036 . 0 0 "[ . 1]" 1
865 1 24 PRO HG3 1 25 PHE H 3.500 . 6.000 5.792 5.783 5.799 . 0 0 "[ . 1]" 1
866 1 34 ARG H 1 34 ARG HB3 3.781 . 5.568 2.474 2.379 2.569 . 0 0 "[ . 1]" 1
867 1 66 GLU QG 1 78 CYS H 3.831 . 5.665 5.100 4.755 5.623 . 0 0 "[ . 1]" 1
868 1 34 ARG H 1 34 ARG HB2 3.556 . 5.137 2.578 2.456 2.694 . 0 0 "[ . 1]" 1
869 1 57 VAL H 1 57 VAL HB 3.025 . 4.169 3.820 3.788 3.846 . 0 0 "[ . 1]" 1
870 1 24 PRO HG2 1 25 PHE H 3.540 . 5.107 5.000 4.975 5.021 . 0 0 "[ . 1]" 1
871 1 22 PRO HB2 1 25 PHE H 3.854 . 5.711 5.220 5.164 5.309 . 0 0 "[ . 1]" 1
872 1 16 ILE H 1 16 ILE HB 2.943 . 4.026 3.701 3.680 3.728 . 0 0 "[ . 1]" 1
873 1 16 ILE H 1 36 LYS HB2 2.966 . 4.065 4.067 4.008 4.114 0.049 1 0 "[ . 1]" 1
874 1 39 CYS H 1 39 CYS HB2 2.603 . 3.450 2.571 2.505 2.781 . 0 0 "[ . 1]" 1
875 1 40 VAL H 1 40 VAL HB 2.580 . 3.412 2.778 2.659 2.884 . 0 0 "[ . 1]" 1
876 1 66 GLU H 1 66 GLU HB2 2.965 . 4.064 3.530 2.877 3.730 . 0 0 "[ . 1]" 1
877 1 41 ASP H 1 41 ASP HB2 2.443 . 3.189 2.962 2.568 3.505 0.316 3 0 "[ . 1]" 1
878 1 50 GLN H 1 50 GLN HB2 2.461 . 3.218 3.593 3.532 3.623 0.405 2 0 "[ . 1]" 1
879 1 50 GLN H 1 50 GLN HB3 2.626 . 3.488 2.563 2.403 2.672 . 0 0 "[ . 1]" 1
880 1 17 ARG H 1 17 ARG HB2 2.594 . 3.435 2.747 2.548 3.587 0.152 4 0 "[ . 1]" 1
881 1 16 ILE HB 1 17 ARG H 2.356 . 3.050 2.077 1.932 2.326 . 0 0 "[ . 1]" 1
882 1 67 GLN HB2 1 80 LYS H 2.545 . 3.355 3.035 2.707 3.391 0.036 10 0 "[ . 1]" 1
883 1 36 LYS HB2 1 37 THR H 2.543 . 3.351 2.777 2.337 3.211 . 0 0 "[ . 1]" 1
884 1 80 LYS H 1 80 LYS HB3 2.519 . 3.312 2.653 2.521 2.736 . 0 0 "[ . 1]" 1
885 1 3 ARG HB2 1 4 ASP H 2.871 . 3.902 3.875 3.815 3.908 0.006 3 0 "[ . 1]" 1
886 1 19 LYS H 1 19 LYS HB3 2.570 . 6.000 3.583 3.528 3.622 . 0 0 "[ . 1]" 1
887 1 3 ARG HB3 1 4 ASP H 2.657 . 3.540 2.542 2.440 2.658 . 0 0 "[ . 1]" 1
888 1 7 ARG HG2 1 12 HIS HE1 3.542 . 5.110 5.100 4.914 5.206 0.096 8 0 "[ . 1]" 1
889 1 14 TYR H 1 39 CYS HB2 3.199 . 4.478 3.900 3.779 3.982 . 0 0 "[ . 1]" 1
890 1 19 LYS H 1 19 LYS HB2 2.368 . 3.069 2.558 2.310 2.806 . 0 0 "[ . 1]" 1
891 1 67 GLN H 1 80 LYS HB2 3.622 . 5.262 4.029 3.509 4.350 . 0 0 "[ . 1]" 1
892 1 70 LEU H 1 70 LEU HB3 2.625 . 3.487 2.738 2.468 3.006 . 0 0 "[ . 1]" 1
893 1 70 LEU H 1 70 LEU HB2 2.623 . 3.483 2.575 2.344 2.876 . 0 0 "[ . 1]" 1
894 1 1 LEU QB 1 6 SER H 3.051 . 4.215 3.401 2.866 4.081 . 0 0 "[ . 1]" 1
895 1 62 ARG H 1 62 ARG QG 3.053 . 4.218 3.326 2.547 3.779 . 0 0 "[ . 1]" 1
896 1 19 LYS H 1 19 LYS HG2 2.676 . 3.571 3.150 1.796 3.769 0.198 7 0 "[ . 1]" 1
897 1 19 LYS H 1 19 LYS HG3 2.828 . 3.827 3.082 1.962 3.615 . 0 0 "[ . 1]" 1
898 1 2 PRO HB3 1 4 ASP H 2.961 . 4.057 4.109 4.039 4.300 0.243 9 0 "[ . 1]" 1
899 1 4 ASP H 1 5 THR MG 3.742 . 5.492 5.498 5.460 5.555 0.063 9 0 "[ . 1]" 1
900 1 5 THR MG 1 9 VAL H 3.110 . 4.319 3.925 3.673 4.176 . 0 0 "[ . 1]" 1
901 1 82 ILE H 1 82 ILE HG13 2.863 . 3.887 2.055 1.958 2.286 . 0 0 "[ . 1]" 1
902 1 48 THR MG 1 51 ASP H 3.563 . 5.150 3.313 2.957 3.516 . 0 0 "[ . 1]" 1
903 1 26 ALA MB 1 42 THR H 3.472 . 4.979 4.296 4.021 4.515 . 0 0 "[ . 1]" 1
904 1 27 ALA MB 1 29 GLY H 2.997 . 4.120 3.994 3.943 4.083 . 0 0 "[ . 1]" 1
905 1 27 ALA H 1 27 ALA MB 1.782 . 2.179 2.197 2.187 2.205 0.026 5 0 "[ . 1]" 1
906 1 2 PRO HG3 1 33 TRP HZ2 3.287 . 4.637 4.157 3.500 4.512 . 0 0 "[ . 1]" 1
907 1 5 THR H 1 5 THR MG 3.272 . 4.610 3.776 3.765 3.786 . 0 0 "[ . 1]" 1
908 1 74 LYS QB 1 75 ARG HE 3.343 . 4.740 4.342 2.846 4.643 . 0 0 "[ . 1]" 1
909 1 72 PRO HB2 1 73 LEU H 3.358 . 4.768 2.195 2.065 2.410 . 0 0 "[ . 1]" 1
910 1 52 LYS H 1 52 LYS HB2 2.451 . 3.202 2.366 2.074 3.150 . 0 0 "[ . 1]" 1
911 1 7 ARG HG2 1 11 TYR QD 3.226 . 4.527 2.017 1.915 2.297 0.010 7 0 "[ . 1]" 1
912 1 7 ARG HG3 1 11 TYR QD 2.920 . 3.986 3.301 2.959 3.828 . 0 0 "[ . 1]" 1
913 1 3 ARG HB3 1 33 TRP HZ3 2.952 . 4.041 3.853 3.544 4.056 0.015 4 0 "[ . 1]" 1
914 1 52 LYS H 1 52 LYS QG 2.810 . 3.775 2.767 2.409 3.413 . 0 0 "[ . 1]" 1
915 1 2 PRO HB3 1 33 TRP HD1 3.240 . 4.552 3.847 3.568 4.048 . 0 0 "[ . 1]" 1
916 1 34 ARG HE 1 34 ARG HG2 3.653 . 5.321 3.234 2.352 3.640 . 0 0 "[ . 1]" 1
917 1 62 ARG HE 1 62 ARG QG 3.350 . 4.753 2.475 2.258 2.888 . 0 0 "[ . 1]" 1
918 1 7 ARG HG3 1 11 TYR QE 2.898 . 3.948 2.608 2.290 3.000 . 0 0 "[ . 1]" 1
919 1 48 THR MG 1 50 GLN QE 3.503 . 5.037 4.166 3.124 4.949 . 0 0 "[ . 1]" 1
920 1 26 ALA MB 1 28 PHE QE 3.244 . 4.560 3.378 3.046 3.763 . 0 0 "[ . 1]" 1
921 1 26 ALA MB 1 28 PHE HZ 3.598 . 5.216 4.666 4.024 5.030 . 0 0 "[ . 1]" 1
922 1 26 ALA MB 1 28 PHE QD 3.013 . 4.148 3.022 2.638 3.331 . 0 0 "[ . 1]" 1
923 1 48 THR MG 1 67 GLN QE 3.473 . 4.981 4.713 4.616 4.933 . 0 0 "[ . 1]" 1
924 1 2 PRO HG3 1 33 TRP HD1 2.876 . 3.910 3.888 3.661 4.169 0.259 6 0 "[ . 1]" 1
925 1 28 PHE QE 1 42 THR MG 3.286 . 4.636 2.212 1.978 2.657 . 0 0 "[ . 1]" 1
926 1 28 PHE HZ 1 42 THR MG 3.715 . 5.440 4.023 3.623 4.496 . 0 0 "[ . 1]" 1
927 1 28 PHE QD 1 48 THR MG 3.637 . 5.290 3.912 3.526 4.714 . 0 0 "[ . 1]" 1
928 1 42 THR MG 1 46 PHE QD 3.345 . 4.744 3.631 3.340 3.823 . 0 0 "[ . 1]" 1
929 1 28 PHE QD 1 42 THR MG 3.231 . 4.536 2.862 2.723 3.005 . 0 0 "[ . 1]" 1
930 1 42 THR MG 1 46 PHE QE 3.689 . 5.390 5.397 4.923 5.560 0.170 5 0 "[ . 1]" 1
931 1 43 THR MG 1 46 PHE QE 3.767 . 5.541 5.364 4.596 5.701 0.160 6 0 "[ . 1]" 1
932 1 30 THR MG 1 34 ARG HE 3.688 . 5.388 4.601 3.051 5.210 . 0 0 "[ . 1]" 1
933 1 58 SER H 1 61 ILE HG13 3.366 . 4.782 1.976 1.901 2.167 0.049 3 0 "[ . 1]" 1
934 1 58 SER H 1 61 ILE HG12 3.338 . 4.731 2.580 2.327 2.858 . 0 0 "[ . 1]" 1
935 1 60 LYS H 1 61 ILE HG12 3.570 . 5.164 3.411 3.076 3.743 . 0 0 "[ . 1]" 1
936 1 61 ILE H 1 61 ILE HG13 2.863 . 3.888 3.557 3.462 3.685 . 0 0 "[ . 1]" 1
937 1 61 ILE H 1 61 ILE HG12 2.620 . 3.478 2.208 2.042 2.430 . 0 0 "[ . 1]" 1
938 1 37 THR MG 1 38 CYS H 2.367 . 3.067 2.290 2.205 2.442 . 0 0 "[ . 1]" 1
939 1 43 THR MG 1 44 SER H 2.770 . 3.729 2.211 1.663 3.806 0.148 6 0 "[ . 1]" 1
940 1 14 TYR QD 1 16 ILE HG12 3.787 . 5.579 3.586 3.222 4.297 . 0 0 "[ . 1]" 1
941 1 73 LEU HG 1 76 TRP HE3 3.795 . 5.595 5.645 5.552 5.733 0.138 8 0 "[ . 1]" 1
942 1 14 TYR QD 1 16 ILE MG 2.345 . 3.032 1.938 1.860 2.090 . 0 0 "[ . 1]" 1
943 1 14 TYR QD 1 16 ILE MD 3.297 . 4.656 3.905 3.702 4.213 . 0 0 "[ . 1]" 1
944 1 28 PHE QE 1 40 VAL MG1 3.048 . 4.209 2.711 2.622 2.794 . 0 0 "[ . 1]" 1
945 1 28 PHE HZ 1 40 VAL MG1 3.442 . 4.923 4.589 4.440 4.705 . 0 0 "[ . 1]" 1
946 1 28 PHE QE 1 68 LEU QD 3.651 . 5.317 2.891 2.119 3.855 . 0 0 "[ . 1]" 1
947 1 28 PHE QD 1 40 VAL MG1 2.467 . 3.228 1.885 1.812 1.983 . 0 0 "[ . 1]" 1
948 1 25 PHE QD 1 40 VAL MG1 2.633 . 6.000 4.533 4.484 4.638 . 0 0 "[ . 1]" 1
949 1 61 ILE MD 1 76 TRP HE3 3.579 . 6.000 6.140 6.086 6.171 0.171 9 0 "[ . 1]" 1
950 1 73 LEU H 1 73 LEU QB 3.376 . 4.800 2.452 2.382 2.504 . 0 0 "[ . 1]" 1
951 1 73 LEU H 1 73 LEU HG 3.295 . 4.652 3.746 2.353 4.178 . 0 0 "[ . 1]" 1
952 1 58 SER H 1 61 ILE MG 3.582 . 5.186 3.997 3.798 4.198 . 0 0 "[ . 1]" 1
953 1 58 SER H 1 61 ILE MD 3.129 . 4.353 3.330 3.212 3.477 . 0 0 "[ . 1]" 1
954 1 73 LEU H 1 73 LEU QD 3.590 . 4.215 2.143 1.858 3.169 0.121 9 0 "[ . 1]" 1
955 1 73 LEU QD 1 76 TRP HD1 3.299 . 4.172 3.773 3.385 3.882 . 0 0 "[ . 1]" 1
956 1 25 PHE HZ 1 40 VAL MG2 3.918 . 5.837 5.943 5.883 5.972 0.135 7 0 "[ . 1]" 1
957 1 73 LEU QB 1 76 TRP HD1 2.639 . 3.510 2.354 2.301 2.460 . 0 0 "[ . 1]" 1
958 1 73 LEU HG 1 76 TRP HD1 3.519 . 5.066 4.089 3.663 5.155 0.089 5 0 "[ . 1]" 1
959 1 9 VAL QG 1 11 TYR H 3.699 . 5.409 4.099 3.874 4.441 . 0 0 "[ . 1]" 1
960 1 16 ILE HG12 1 18 SER H 2.965 . 4.064 4.154 4.091 4.209 0.145 10 0 "[ . 1]" 1
961 1 11 TYR H 1 40 VAL MG2 3.625 . 5.268 5.357 5.283 5.417 0.149 3 0 "[ . 1]" 1
962 1 2 PRO HB2 1 3 ARG H 3.411 . 4.865 3.149 2.279 3.552 . 0 0 "[ . 1]" 1
963 1 73 LEU QB 1 76 TRP HZ2 3.615 . 5.249 4.640 4.532 4.796 . 0 0 "[ . 1]" 1
964 1 18 SER H 1 20 VAL MG2 2.692 . 3.598 3.705 3.614 3.826 0.228 3 0 "[ . 1]" 1
965 1 16 ILE MD 1 18 SER H 2.602 . 3.449 3.298 3.117 3.455 0.006 3 0 "[ . 1]" 1
966 1 60 LYS H 1 61 ILE MD 3.652 . 5.319 4.602 4.144 4.943 . 0 0 "[ . 1]" 1
967 1 73 LEU QD 1 76 TRP HZ2 . . 3.406 3.376 2.898 3.485 0.079 3 0 "[ . 1]" 1
968 1 61 ILE H 1 61 ILE MD 2.965 . 4.064 3.510 3.306 3.769 . 0 0 "[ . 1]" 1
969 1 61 ILE H 1 61 ILE MG 2.776 . 3.739 3.786 3.773 3.805 0.066 2 0 "[ . 1]" 1
970 1 20 VAL H 1 20 VAL MG2 2.372 . 3.075 1.798 1.723 1.904 . 0 0 "[ . 1]" 1
971 1 16 ILE MD 1 20 VAL H 3.539 . 5.105 3.227 3.046 3.564 . 0 0 "[ . 1]" 1
972 1 64 LEU QD 1 65 GLU H 3.653 . 5.321 3.727 3.136 4.235 . 0 0 "[ . 1]" 1
973 1 82 ILE H 1 82 ILE HG12 2.907 . 3.963 3.299 3.187 3.518 . 0 0 "[ . 1]" 1
974 1 82 ILE H 1 82 ILE MG 2.978 . 4.087 3.776 3.762 3.796 . 0 0 "[ . 1]" 1
975 1 68 LEU QD 1 69 GLY H 3.305 . 4.670 2.859 1.937 3.673 0.039 6 0 "[ . 1]" 1
976 1 73 LEU QB 1 76 TRP H 3.698 . 5.408 3.077 2.921 3.252 . 0 0 "[ . 1]" 1
977 1 9 VAL QG 1 10 GLY H 2.759 . 3.710 2.490 2.089 3.228 . 0 0 "[ . 1]" 1
978 1 30 THR H 1 30 THR MG 2.524 . 3.320 2.935 2.787 3.063 . 0 0 "[ . 1]" 1
979 1 8 CYS H 1 9 VAL QG 3.140 . 4.372 3.729 3.605 3.801 . 0 0 "[ . 1]" 1
980 1 6 SER H 1 9 VAL QG 3.310 . 4.680 4.151 3.936 4.263 . 0 0 "[ . 1]" 1
981 1 1 LEU QD 1 6 SER H 2.913 . 3.974 3.150 2.678 3.529 . 0 0 "[ . 1]" 1
982 1 42 THR H 1 42 THR MG 2.436 . 3.178 2.719 2.523 2.857 . 0 0 "[ . 1]" 1
983 1 36 LYS H 1 36 LYS HB3 2.847 . 3.860 3.261 2.873 3.431 . 0 0 "[ . 1]" 1
984 1 24 PRO HB2 1 42 THR H 3.310 . 4.679 3.343 3.053 3.576 . 0 0 "[ . 1]" 1
985 1 5 THR MG 1 8 CYS H 3.256 . 4.581 4.550 4.469 4.624 0.043 2 0 "[ . 1]" 1
986 1 5 THR MG 1 6 SER H 2.582 . 3.415 3.307 3.115 3.479 0.064 3 0 "[ . 1]" 1
987 1 61 ILE HG12 1 62 ARG H 3.359 . 4.769 4.922 4.891 4.957 0.188 3 0 "[ . 1]" 1
988 1 67 GLN H 1 77 THR MG 3.470 . 4.975 3.465 3.272 3.808 . 0 0 "[ . 1]" 1
989 1 43 THR H 1 43 THR MG 2.441 . 3.186 2.348 1.801 3.668 0.482 4 0 "[ . 1]" 1
990 1 42 THR MG 1 43 THR H 3.314 . 4.686 4.198 4.135 4.241 . 0 0 "[ . 1]" 1
991 1 27 ALA H 1 37 THR MG 2.992 . 4.111 4.215 4.151 4.296 0.185 1 0 "[ . 1]" 1
992 1 75 ARG H 1 75 ARG HG3 2.882 . 3.920 2.972 2.514 3.922 0.002 2 0 "[ . 1]" 1
993 1 80 LYS H 1 80 LYS HB2 2.339 . 3.023 2.507 2.363 2.757 . 0 0 "[ . 1]" 1
994 1 64 LEU H 1 64 LEU HB2 2.920 . 3.986 2.353 2.254 2.432 . 0 0 "[ . 1]" 1
995 1 62 ARG QG 1 63 CYS H 3.180 . 4.444 4.287 4.205 4.356 . 0 0 "[ . 1]" 1
996 1 16 ILE HG13 1 17 ARG H 2.924 . 3.993 3.271 2.960 3.543 . 0 0 "[ . 1]" 1
997 1 21 CYS H 1 27 ALA MB 2.809 . 3.795 3.703 3.571 3.791 . 0 0 "[ . 1]" 1
998 1 48 THR MG 1 49 CYS H 3.042 . 4.199 3.990 3.685 4.156 . 0 0 "[ . 1]" 1
999 1 70 LEU HG 1 71 CYS H 3.000 . 4.125 3.387 2.303 4.206 0.081 5 0 "[ . 1]" 1
1000 1 26 ALA H 1 39 CYS HB2 3.547 . 6.000 5.688 5.421 5.793 . 0 0 "[ . 1]" 1
1001 1 39 CYS HB2 1 40 VAL H 3.365 . 4.781 4.374 4.316 4.435 . 0 0 "[ . 1]" 1
1002 1 34 ARG H 1 34 ARG HG3 3.616 . 5.250 4.596 4.550 4.657 . 0 0 "[ . 1]" 1
1003 1 16 ILE H 1 16 ILE HG13 2.724 . 3.652 3.068 2.958 3.151 . 0 0 "[ . 1]" 1
1004 1 34 ARG H 1 34 ARG HG2 3.472 . 4.979 4.434 4.381 4.471 . 0 0 "[ . 1]" 1
1005 1 26 ALA MB 1 40 VAL H 3.047 . 4.207 4.025 3.758 4.198 . 0 0 "[ . 1]" 1
1006 1 26 ALA H 1 26 ALA MB 2.261 . 2.900 2.508 2.407 2.578 . 0 0 "[ . 1]" 1
1007 1 27 ALA MB 1 28 PHE H 2.376 . 6.000 3.528 3.472 3.577 . 0 0 "[ . 1]" 1
1008 1 77 THR H 1 77 THR MG 2.901 . 3.953 3.854 3.808 3.884 . 0 0 "[ . 1]" 1
1009 1 77 THR MG 1 80 LYS H 3.728 . 5.465 5.420 5.127 5.549 0.084 5 0 "[ . 1]" 1
1010 1 66 GLU H 1 77 THR MG 3.342 . 4.739 2.553 1.915 4.275 0.030 2 0 "[ . 1]" 1
1011 1 21 CYS H 1 37 THR MG 3.396 . 4.838 4.768 4.490 4.860 0.022 8 0 "[ . 1]" 1
1012 1 37 THR H 1 37 THR MG 2.869 . 3.898 3.810 3.758 3.879 . 0 0 "[ . 1]" 1
1013 1 77 THR MG 1 78 CYS H 2.485 . 3.257 2.430 2.183 2.622 . 0 0 "[ . 1]" 1
1014 1 26 ALA H 1 42 THR MG 2.932 . 4.007 2.344 2.187 2.688 . 0 0 "[ . 1]" 1
1015 1 40 VAL H 1 42 THR MG 3.435 . 4.910 3.384 3.248 3.615 . 0 0 "[ . 1]" 1
1016 1 77 THR MG 1 79 CYS H 3.478 . 4.990 4.425 4.030 4.598 . 0 0 "[ . 1]" 1
1017 1 16 ILE H 1 36 LYS HB3 3.677 . 5.367 5.427 5.100 5.520 0.153 4 0 "[ . 1]" 1
1018 1 28 PHE H 1 37 THR MG 2.677 . 3.573 2.767 2.564 2.966 . 0 0 "[ . 1]" 1
1019 1 30 THR MG 1 34 ARG H 3.509 . 5.048 4.369 4.258 4.479 . 0 0 "[ . 1]" 1
1020 1 24 PRO HB2 1 25 PHE H 3.310 . 4.679 3.984 3.953 4.006 . 0 0 "[ . 1]" 1
1021 1 37 THR MG 1 39 CYS H 3.421 . 4.884 4.193 3.801 4.610 . 0 0 "[ . 1]" 1
1022 1 16 ILE H 1 16 ILE HG12 2.554 . 3.369 1.968 1.902 2.042 . 0 0 "[ . 1]" 1
1023 1 57 VAL H 1 77 THR MG 3.641 . 5.298 5.213 4.870 5.361 0.063 9 0 "[ . 1]" 1
1024 1 75 ARG HB2 1 76 TRP HE1 3.796 . 5.597 4.171 3.357 5.470 . 0 0 "[ . 1]" 1
1025 1 58 SER HA 1 76 TRP HE1 3.229 . 4.532 3.698 3.480 3.838 . 0 0 "[ . 1]" 1
1026 1 2 PRO HG2 1 33 TRP HE1 3.105 . 4.310 3.530 3.068 3.958 . 0 0 "[ . 1]" 1
1027 1 2 PRO HB3 1 33 TRP HE1 3.374 . 4.797 2.371 2.164 2.547 . 0 0 "[ . 1]" 1
1028 1 2 PRO HG3 1 33 TRP HE1 2.775 . 3.738 2.456 2.208 2.612 . 0 0 "[ . 1]" 1
1029 1 73 LEU HG 1 76 TRP HE1 4.000 . 6.000 3.334 2.731 5.414 . 0 0 "[ . 1]" 1
1030 1 73 LEU QB 1 76 TRP HE1 3.005 . 4.134 3.037 2.912 3.152 . 0 0 "[ . 1]" 1
1031 1 73 LEU QD 1 76 TRP HE1 3.312 . 3.663 3.314 2.641 3.503 . 0 0 "[ . 1]" 1
1032 1 16 ILE H 1 16 ILE MG 2.511 . 3.299 2.622 2.566 2.701 . 0 0 "[ . 1]" 1
1033 1 16 ILE H 1 16 ILE MD 2.980 . 4.090 3.643 3.584 3.691 . 0 0 "[ . 1]" 1
1034 1 40 VAL H 1 40 VAL MG1 2.492 . 3.268 2.206 2.149 2.294 . 0 0 "[ . 1]" 1
1035 1 16 ILE HG12 1 37 THR H 3.652 . 5.319 4.095 3.840 4.344 . 0 0 "[ . 1]" 1
1036 1 70 LEU QD 1 71 CYS H 2.923 . 3.991 1.954 1.750 2.180 0.105 5 0 "[ . 1]" 1
1037 1 64 LEU H 1 64 LEU QD 3.447 . 4.248 2.512 1.917 3.766 0.044 3 0 "[ . 1]" 1
1038 1 40 VAL MG2 1 41 ASP H 2.553 . 3.368 2.096 1.966 2.172 . 0 0 "[ . 1]" 1
1039 1 61 ILE MG 1 63 CYS H 3.349 . 4.751 3.181 3.052 3.468 . 0 0 "[ . 1]" 1
1040 1 16 ILE MD 1 17 ARG H 3.100 . 4.301 3.951 3.682 4.246 . 0 0 "[ . 1]" 1
1041 1 16 ILE MG 1 17 ARG H 2.674 . 3.568 3.547 3.489 3.623 0.055 3 0 "[ . 1]" 1
1042 1 16 ILE HG12 1 17 ARG H 3.187 . 4.456 4.351 4.142 4.539 0.083 2 0 "[ . 1]" 1
1043 1 16 ILE MD 1 21 CYS H 3.461 . 4.958 3.315 3.074 3.541 . 0 0 "[ . 1]" 1
1044 1 20 VAL MG1 1 21 CYS H 2.422 . 6.000 4.221 4.209 4.257 . 0 0 "[ . 1]" 1
1045 1 14 TYR H 1 40 VAL MG1 3.096 . 6.000 5.668 5.601 5.791 . 0 0 "[ . 1]" 1
1046 1 55 HIS HE1 1 82 ILE MD 3.585 . 5.191 4.258 3.866 4.855 . 0 0 "[ . 1]" 1
1047 1 15 CYS H 1 16 ILE MG 2.910 . 3.968 4.029 3.995 4.068 0.100 4 0 "[ . 1]" 1
1048 1 9 VAL H 1 9 VAL QG 2.148 . 2.725 1.993 1.905 2.077 . 0 0 "[ . 1]" 1
1049 1 73 LEU HG 1 74 LYS H 3.248 . 4.567 4.645 4.392 4.815 0.248 8 0 "[ . 1]" 1
1050 1 73 LEU QB 1 74 LYS H 2.543 . 3.352 2.611 2.265 2.928 . 0 0 "[ . 1]" 1
1051 1 19 LYS H 1 20 VAL MG2 2.850 . 3.865 3.178 3.048 3.370 . 0 0 "[ . 1]" 1
1052 1 73 LEU QD 1 74 LYS H 2.544 . 3.353 3.322 3.221 3.349 . 0 0 "[ . 1]" 1
1053 1 61 ILE MD 1 62 ARG H 2.840 . 6.000 3.756 3.588 3.859 . 0 0 "[ . 1]" 1
1054 1 61 ILE MG 1 62 ARG H 2.279 . 2.928 2.349 2.004 2.661 . 0 0 "[ . 1]" 1
1055 1 12 HIS H 1 40 VAL MG1 3.195 . 6.000 5.443 5.178 5.576 . 0 0 "[ . 1]" 1
1056 1 40 VAL MG2 1 42 THR H 3.291 . 4.645 4.581 4.408 4.683 0.038 10 0 "[ . 1]" 1
1057 1 9 VAL QG 1 13 GLY H 3.781 . 5.379 4.435 4.335 4.518 . 0 0 "[ . 1]" 1
1058 1 73 LEU QD 1 76 TRP H 4.094 . 6.189 4.592 4.521 4.674 . 0 0 "[ . 1]" 1
1059 1 73 LEU QB 1 75 ARG HE 3.522 . 5.073 4.056 3.417 5.004 . 0 0 "[ . 1]" 1
1060 1 73 LEU QB 1 76 TRP HE3 3.954 . 5.908 4.319 4.181 4.369 . 0 0 "[ . 1]" 1
1061 1 46 PHE QD 1 68 LEU QD 4.109 . 6.219 2.182 1.722 4.385 0.277 5 0 "[ . 1]" 1
1062 1 76 TRP HZ3 1 82 ILE MD 3.811 . 5.626 5.646 5.395 5.762 0.136 10 0 "[ . 1]" 1
1063 1 73 LEU QD 1 76 TRP HZ3 3.386 . 4.819 3.969 3.833 4.046 . 0 0 "[ . 1]" 1
1064 1 73 LEU QD 1 76 TRP HE3 3.319 . 4.696 3.570 3.404 3.735 . 0 0 "[ . 1]" 1
1065 1 14 TYR QE 1 39 CYS HA 4.194 . 6.392 5.420 5.234 5.904 . 0 0 "[ . 1]" 1
1066 1 14 TYR QE 1 22 PRO HD3 3.744 . 5.496 4.308 4.204 4.517 . 0 0 "[ . 1]" 1
1067 1 14 TYR QE 1 22 PRO HD2 3.594 . 5.208 3.875 3.734 4.091 . 0 0 "[ . 1]" 1
1068 1 14 TYR QE 1 25 PHE HB2 3.704 . 5.419 5.229 4.961 5.424 0.005 9 0 "[ . 1]" 1
1069 1 14 TYR QE 1 25 PHE HB3 3.554 . 5.133 4.668 4.433 4.865 . 0 0 "[ . 1]" 1
1070 1 14 TYR QE 1 39 CYS HB3 3.163 . 4.414 3.767 3.578 4.347 . 0 0 "[ . 1]" 1
1071 1 14 TYR QE 1 22 PRO HG2 3.886 . 5.774 4.385 4.303 4.490 . 0 0 "[ . 1]" 1
1072 1 14 TYR QE 1 22 PRO HG3 4.099 . 6.199 4.493 4.345 4.688 . 0 0 "[ . 1]" 1
1073 1 14 TYR QE 1 16 ILE HB 3.095 . 4.292 4.358 4.326 4.410 0.118 4 0 "[ . 1]" 1
1074 1 14 TYR QE 1 39 CYS HB2 3.117 . 4.331 2.794 2.492 3.657 . 0 0 "[ . 1]" 1
1075 1 14 TYR QE 1 16 ILE HG13 3.738 . 5.485 4.525 4.193 5.240 . 0 0 "[ . 1]" 1
1076 1 14 TYR QE 1 16 ILE HG12 3.932 . 5.864 3.184 2.795 4.090 . 0 0 "[ . 1]" 1
1077 1 14 TYR QE 1 16 ILE MG 2.282 . 2.933 1.968 1.858 2.145 . 0 0 "[ . 1]" 1
1078 1 14 TYR QE 1 16 ILE MD 2.992 . 4.111 2.235 1.973 2.863 . 0 0 "[ . 1]" 1
1079 1 56 CYS HA 1 56 CYS HB2 2.927 . 3.998 3.016 3.010 3.021 . 0 0 "[ . 1]" 1
1080 1 56 CYS HA 1 56 CYS HB3 2.711 . 3.630 2.543 2.519 2.574 . 0 0 "[ . 1]" 1
1081 1 56 CYS HA 1 78 CYS HB2 3.660 . 5.335 5.073 4.867 5.315 . 0 0 "[ . 1]" 1
1082 1 56 CYS HA 1 76 TRP QB 3.972 . 5.944 3.793 3.548 3.986 . 0 0 "[ . 1]" 1
1083 1 15 CYS HA 1 15 CYS HB2 2.691 . 3.596 2.892 2.519 3.022 . 0 0 "[ . 1]" 1
1084 1 15 CYS HA 1 15 CYS HB3 2.571 . 3.397 2.593 2.394 3.005 . 0 0 "[ . 1]" 1
1085 1 39 CYS HA 1 39 CYS HB3 2.640 . 3.511 2.474 2.456 2.496 . 0 0 "[ . 1]" 1
1086 1 25 PHE HB3 1 39 CYS HA 3.229 . 4.532 4.051 3.950 4.133 . 0 0 "[ . 1]" 1
1087 1 56 CYS HA 1 79 CYS QB 3.844 . 5.691 3.990 3.753 4.160 . 0 0 "[ . 1]" 1
1088 1 56 CYS HA 1 57 VAL HB 3.705 . 6.000 5.678 5.652 5.722 . 0 0 "[ . 1]" 1
1089 1 15 CYS HA 1 16 ILE HB 3.730 . 6.000 5.818 5.732 5.888 . 0 0 "[ . 1]" 1
1090 1 39 CYS HA 1 40 VAL HB 3.362 . 4.775 4.521 4.423 4.574 . 0 0 "[ . 1]" 1
1091 1 39 CYS HA 1 39 CYS HB2 2.856 . 3.876 3.020 3.018 3.022 . 0 0 "[ . 1]" 1
1092 1 15 CYS HA 1 36 LYS HB2 3.435 . 4.910 3.821 3.301 4.329 . 0 0 "[ . 1]" 1
1093 1 15 CYS HA 1 16 ILE HG13 3.669 . 5.352 5.119 5.017 5.263 . 0 0 "[ . 1]" 1
1094 1 15 CYS HA 1 36 LYS HB3 3.460 . 6.000 5.479 4.846 5.943 . 0 0 "[ . 1]" 1
1095 1 15 CYS HA 1 16 ILE HG12 3.380 . 4.808 3.983 3.842 4.154 . 0 0 "[ . 1]" 1
1096 1 39 CYS HA 1 40 VAL MG1 3.090 . 4.283 4.008 3.949 4.068 . 0 0 "[ . 1]" 1
1097 1 37 THR MG 1 39 CYS HA 3.160 . 4.408 3.838 3.517 4.084 . 0 0 "[ . 1]" 1
1098 1 79 CYS HA 1 80 LYS HA 3.650 . 5.316 4.287 4.240 4.334 . 0 0 "[ . 1]" 1
1099 1 30 THR HA 1 37 THR HB 3.183 . 6.000 5.398 5.093 5.557 . 0 0 "[ . 1]" 1
1100 1 71 CYS HA 1 72 PRO HD2 2.412 . 3.139 2.610 2.190 2.841 . 0 0 "[ . 1]" 1
1101 1 71 CYS HA 1 72 PRO HD3 2.419 . 3.150 2.380 2.213 2.809 . 0 0 "[ . 1]" 1
1102 1 71 CYS HA 1 71 CYS HB3 2.991 . 4.109 2.630 2.576 2.669 . 0 0 "[ . 1]" 1
1103 1 56 CYS HB3 1 71 CYS HA 3.762 . 5.531 5.190 4.982 5.485 . 0 0 "[ . 1]" 1
1104 1 79 CYS HA 1 79 CYS QB 2.649 . 3.526 2.249 2.226 2.291 . 0 0 "[ . 1]" 1
1105 1 30 THR HA 1 38 CYS HB3 3.371 . 4.792 4.338 4.059 4.623 . 0 0 "[ . 1]" 1
1106 1 30 THR HA 1 38 CYS HB2 3.425 . 4.891 3.327 2.936 3.478 . 0 0 "[ . 1]" 1
1107 1 66 GLU QG 1 79 CYS HA 4.159 . 6.321 4.974 4.660 5.275 . 0 0 "[ . 1]" 1
1108 1 66 GLU HB2 1 79 CYS HA 3.750 . 5.508 5.359 5.012 5.595 0.087 2 0 "[ . 1]" 1
1109 1 67 GLN HB2 1 79 CYS HA 3.480 . 4.993 3.467 3.042 4.046 . 0 0 "[ . 1]" 1
1110 1 79 CYS HA 1 80 LYS HB3 3.468 . 4.971 4.803 4.663 4.878 . 0 0 "[ . 1]" 1
1111 1 79 CYS HA 1 80 LYS HB2 3.562 . 5.148 4.184 4.012 4.320 . 0 0 "[ . 1]" 1
1112 1 77 THR MG 1 79 CYS HA 2.959 . 4.054 3.723 3.329 3.875 . 0 0 "[ . 1]" 1
1113 1 30 THR HA 1 30 THR MG 2.118 . 2.679 2.417 2.368 2.454 . 0 0 "[ . 1]" 1
1114 1 30 THR HA 1 37 THR MG 2.890 . 3.934 3.818 3.619 3.962 0.028 7 0 "[ . 1]" 1
1115 1 70 LEU QD 1 71 CYS HA 4.109 . 6.219 3.930 3.575 4.373 . 0 0 "[ . 1]" 1
1116 1 21 CYS HA 1 22 PRO HD2 2.306 . 2.971 2.064 2.019 2.113 . 0 0 "[ . 1]" 1
1117 1 21 CYS HA 1 22 PRO HD3 2.298 . 2.958 2.329 2.288 2.378 . 0 0 "[ . 1]" 1
1118 1 13 GLY HA3 1 40 VAL HA 3.092 . 4.287 2.104 1.961 2.229 . 0 0 "[ . 1]" 1
1119 1 25 PHE HA 1 25 PHE HB2 2.649 . 3.526 3.025 3.018 3.029 . 0 0 "[ . 1]" 1
1120 1 11 TYR HA 1 11 TYR HB3 2.717 . 3.639 2.532 2.463 2.573 . 0 0 "[ . 1]" 1
1121 1 48 THR HA 1 48 THR HB 2.266 . 2.908 2.995 2.983 3.003 0.095 3 0 "[ . 1]" 1
1122 1 25 PHE HA 1 41 ASP HA 2.282 . 2.933 2.638 2.447 2.920 . 0 0 "[ . 1]" 1
1123 1 63 CYS HA 1 82 ILE HA 2.749 . 6.000 4.587 3.964 5.096 . 0 0 "[ . 1]" 1
1124 1 76 TRP HA 1 77 THR HB 3.002 . 6.000 4.672 4.596 4.740 . 0 0 "[ . 1]" 1
1125 1 59 PRO HD2 1 76 TRP HA 3.146 . 4.383 4.276 4.117 4.408 0.025 3 0 "[ . 1]" 1
1126 1 63 CYS HA 1 63 CYS HB2 2.443 . 3.189 2.449 2.420 2.483 . 0 0 "[ . 1]" 1
1127 1 76 TRP HA 1 76 TRP QB 2.655 . 3.536 2.386 2.369 2.408 . 0 0 "[ . 1]" 1
1128 1 38 CYS HA 1 38 CYS HB3 2.905 . 3.960 3.011 2.979 3.026 . 0 0 "[ . 1]" 1
1129 1 55 HIS HA 1 55 HIS HB2 2.656 . 3.538 3.019 3.006 3.028 . 0 0 "[ . 1]" 1
1130 1 28 PHE HA 1 28 PHE HB2 2.652 . 3.531 2.886 2.840 2.925 . 0 0 "[ . 1]" 1
1131 1 11 TYR HA 1 11 TYR HB2 2.701 . 3.613 3.007 2.997 3.018 . 0 0 "[ . 1]" 1
1132 1 28 PHE HA 1 28 PHE HB3 2.524 . 3.320 2.815 2.764 2.871 . 0 0 "[ . 1]" 1
1133 1 63 CYS HA 1 63 CYS HB3 2.886 . 3.927 3.026 3.022 3.031 . 0 0 "[ . 1]" 1
1134 1 15 CYS HB3 1 38 CYS HA 3.385 . 4.817 4.508 3.982 5.065 0.248 3 0 "[ . 1]" 1
1135 1 38 CYS HA 1 38 CYS HB2 2.794 . 3.770 2.595 2.547 2.681 . 0 0 "[ . 1]" 1
1136 1 66 GLU HA 1 66 GLU QG 2.969 . 3.847 2.296 2.108 2.402 . 0 0 "[ . 1]" 1
1137 1 22 PRO HA 1 22 PRO HB3 2.393 . 3.109 2.307 2.296 2.316 . 0 0 "[ . 1]" 1
1138 1 22 PRO HA 1 22 PRO HG2 2.621 . 6.000 3.856 3.847 3.866 . 0 0 "[ . 1]" 1
1139 1 58 SER HA 1 76 TRP HA 2.861 . 3.884 2.931 2.811 3.145 . 0 0 "[ . 1]" 1
1140 1 67 GLN HA 1 67 GLN HG3 3.142 . 4.376 2.625 2.331 3.622 . 0 0 "[ . 1]" 1
1141 1 66 GLU HA 1 66 GLU HB2 2.632 . 3.498 3.006 2.971 3.019 . 0 0 "[ . 1]" 1
1142 1 57 VAL HA 1 57 VAL HB 2.370 . 3.072 2.424 2.407 2.446 . 0 0 "[ . 1]" 1
1143 1 22 PRO HA 1 22 PRO HB2 2.418 . 3.149 2.712 2.698 2.728 . 0 0 "[ . 1]" 1
1144 1 81 GLU HA 1 81 GLU HB3 2.682 . 3.581 2.501 2.448 2.632 . 0 0 "[ . 1]" 1
1145 1 16 ILE HA 1 16 ILE HB 2.384 . 3.095 2.465 2.444 2.489 . 0 0 "[ . 1]" 1
1146 1 40 VAL HA 1 40 VAL HB 2.646 . 3.521 2.544 2.520 2.576 . 0 0 "[ . 1]" 1
1147 1 24 PRO HA 1 24 PRO HG2 2.603 . 6.000 3.879 3.870 3.889 . 0 0 "[ . 1]" 1
1148 1 16 ILE HA 1 16 ILE HG13 3.057 . 4.225 3.760 3.736 3.782 . 0 0 "[ . 1]" 1
1149 1 67 GLN HA 1 80 LYS HB2 3.020 . 4.160 2.673 2.032 3.136 . 0 0 "[ . 1]" 1
1150 1 63 CYS HA 1 64 LEU HB2 3.288 . 4.639 4.647 4.318 4.724 0.085 10 0 "[ . 1]" 1
1151 1 26 ALA HA 1 26 ALA MB 1.901 . 2.353 2.125 2.121 2.129 . 0 0 "[ . 1]" 1
1152 1 48 THR HB 1 48 THR MG 2.062 . 2.593 2.128 2.123 2.135 . 0 0 "[ . 1]" 1
1153 1 47 HIS HA 1 68 LEU HG 2.922 . 3.989 3.647 3.213 4.214 0.225 1 0 "[ . 1]" 1
1154 1 57 VAL HA 1 61 ILE HG13 3.379 . 4.806 2.637 2.521 2.776 . 0 0 "[ . 1]" 1
1155 1 66 GLU HA 1 77 THR MG 2.781 . 3.748 2.392 2.138 2.922 . 0 0 "[ . 1]" 1
1156 1 25 PHE HA 1 42 THR MG 3.086 . 4.276 3.141 2.912 3.457 . 0 0 "[ . 1]" 1
1157 1 37 THR MG 1 38 CYS HA 3.161 . 4.410 3.921 3.777 4.139 . 0 0 "[ . 1]" 1
1158 1 27 ALA HA 1 37 THR MG 3.230 . 4.534 2.176 2.103 2.248 . 0 0 "[ . 1]" 1
1159 1 16 ILE HA 1 16 ILE HG12 3.224 . 4.524 3.692 3.659 3.722 . 0 0 "[ . 1]" 1
1160 1 16 ILE HA 1 16 ILE MG 2.143 . 2.717 2.324 2.301 2.352 . 0 0 "[ . 1]" 1
1161 1 13 GLY HA2 1 40 VAL MG1 3.025 . 6.000 4.595 4.484 4.688 . 0 0 "[ . 1]" 1
1162 1 13 GLY HA2 1 40 VAL MG2 2.634 . 3.501 2.429 2.269 2.599 . 0 0 "[ . 1]" 1
1163 1 40 VAL HA 1 40 VAL MG1 2.411 . 3.138 3.204 3.198 3.210 0.072 1 0 "[ . 1]" 1
1164 1 63 CYS HA 1 82 ILE MG 2.998 . 4.121 3.776 3.471 4.138 0.017 3 0 "[ . 1]" 1
1165 1 16 ILE MD 1 21 CYS HA 2.206 . 2.814 2.622 2.291 2.829 0.015 10 0 "[ . 1]" 1
1166 1 57 VAL HA 1 61 ILE MD 3.272 . 4.610 3.987 3.868 4.079 . 0 0 "[ . 1]" 1
1167 1 73 LEU HA 1 73 LEU QD . . 2.606 2.020 1.945 2.060 . 0 0 "[ . 1]" 1
1168 1 73 LEU HA 1 73 LEU QB 3.421 . 3.692 2.371 2.341 2.416 . 0 0 "[ . 1]" 1
1169 1 70 LEU HA 1 70 LEU QD 2.177 . 2.769 2.424 1.925 2.738 . 0 0 "[ . 1]" 1
1170 1 12 HIS HA 1 40 VAL MG2 3.277 . 4.620 3.146 2.920 3.270 . 0 0 "[ . 1]" 1
1171 1 68 LEU HA 1 68 LEU QD 2.770 . 3.044 1.935 1.782 2.360 0.029 8 0 "[ . 1]" 1
1172 1 61 ILE MG 1 62 ARG HA 2.995 . 4.116 3.703 3.596 3.894 . 0 0 "[ . 1]" 1
1173 1 20 VAL HA 1 20 VAL MG2 2.193 . 2.794 2.590 2.551 2.679 . 0 0 "[ . 1]" 1
1174 1 64 LEU HA 1 64 LEU QD 2.086 . 2.630 2.131 1.918 2.639 0.009 1 0 "[ . 1]" 1
1175 1 1 LEU HA 1 1 LEU QD 2.325 . 3.001 1.987 1.907 2.036 . 0 0 "[ . 1]" 1
1176 1 20 VAL HA 1 20 VAL MG1 2.158 . 2.740 2.260 2.203 2.295 . 0 0 "[ . 1]" 1
1177 1 73 LEU HA 1 73 LEU HG 2.908 . 3.965 3.492 2.886 3.668 . 0 0 "[ . 1]" 1
1178 1 16 ILE HG12 1 17 ARG HA 2.997 . 6.000 5.725 5.586 5.854 . 0 0 "[ . 1]" 1
1179 1 30 THR HB 1 30 THR MG 2.101 . 2.653 2.136 2.133 2.141 . 0 0 "[ . 1]" 1
1180 1 17 ARG HA 1 36 LYS HB3 2.995 . 4.116 2.857 2.459 3.470 . 0 0 "[ . 1]" 1
1181 1 77 THR HA 1 77 THR MG 2.205 . 2.813 2.318 2.277 2.352 . 0 0 "[ . 1]" 1
1182 1 42 THR HA 1 42 THR MG 1.951 . 2.427 2.222 2.182 2.300 . 0 0 "[ . 1]" 1
1183 1 37 THR HA 1 37 THR MG 2.229 . 2.850 2.375 2.300 2.426 . 0 0 "[ . 1]" 1
1184 1 29 GLY HA3 1 30 THR MG 2.827 . 3.826 3.860 3.771 3.904 0.078 10 0 "[ . 1]" 1
1185 1 42 THR HB 1 42 THR MG 2.093 . 2.641 2.135 2.132 2.138 . 0 0 "[ . 1]" 1
1186 1 19 LYS HA 1 37 THR MG 2.698 . 3.608 2.523 2.122 2.990 . 0 0 "[ . 1]" 1
1187 1 30 THR MG 1 37 THR HA 2.570 . 3.396 2.841 2.379 3.282 . 0 0 "[ . 1]" 1
1188 1 48 THR HA 1 48 THR MG 2.200 . 2.805 2.398 2.301 2.603 . 0 0 "[ . 1]" 1
1189 1 43 THR HB 1 43 THR MG 1.831 . 2.250 2.123 2.110 2.129 . 0 0 "[ . 1]" 1
1190 1 1 LEU QD 1 5 THR HB 3.108 . 4.316 2.712 2.471 2.882 . 0 0 "[ . 1]" 1
1191 1 82 ILE HA 1 82 ILE MG 2.437 . 3.179 2.352 2.318 2.386 . 0 0 "[ . 1]" 1
1192 1 61 ILE HA 1 61 ILE MG 2.132 . 2.700 2.377 2.324 2.436 . 0 0 "[ . 1]" 1
1193 1 16 ILE MD 1 37 THR HB 2.832 . 3.835 3.772 3.614 3.905 0.070 10 0 "[ . 1]" 1
1194 1 70 LEU HA 1 70 LEU HB3 2.869 . 3.898 2.991 2.940 3.021 . 0 0 "[ . 1]" 1
1195 1 70 LEU HA 1 70 LEU HB2 2.720 . 3.645 2.616 2.446 2.739 . 0 0 "[ . 1]" 1
1196 1 70 LEU HA 1 70 LEU HG 2.644 . 3.518 2.701 2.378 3.610 0.092 5 0 "[ . 1]" 1
1197 1 52 LYS HA 1 52 LYS QG 2.821 . 3.815 2.665 2.148 3.310 . 0 0 "[ . 1]" 1
1198 1 19 LYS HA 1 19 LYS HG3 2.595 . 3.437 3.027 2.519 3.924 0.487 4 0 "[ . 1]" 1
1199 1 26 ALA MB 1 42 THR HB 2.470 . 3.232 3.290 3.256 3.365 0.133 5 0 "[ . 1]" 1
1200 1 19 LYS HA 1 19 LYS HG2 2.967 . 4.067 3.398 2.881 3.734 . 0 0 "[ . 1]" 1
1201 1 16 ILE HG13 1 18 SER HA 3.423 . 4.887 4.434 4.286 4.640 . 0 0 "[ . 1]" 1
1202 1 17 ARG HA 1 17 ARG HB3 2.366 . 3.066 2.964 2.435 3.025 . 0 0 "[ . 1]" 1
1203 1 81 GLU HA 1 81 GLU HB2 2.601 . 3.446 3.008 2.968 3.019 . 0 0 "[ . 1]" 1
1204 1 17 ARG HA 1 17 ARG HB2 2.577 . 3.407 2.446 2.381 2.497 . 0 0 "[ . 1]" 1
1205 1 54 GLY HA3 1 67 GLN HG2 2.753 . 6.000 4.691 2.492 5.205 . 0 0 "[ . 1]" 1
1206 1 52 LYS HA 1 52 LYS HB3 2.626 . 3.488 2.611 2.461 2.892 . 0 0 "[ . 1]" 1
1207 1 67 GLN HB2 1 80 LYS HA 3.074 . 4.255 2.658 2.098 3.101 . 0 0 "[ . 1]" 1
1208 1 7 ARG HG2 1 8 CYS HA 2.793 . 3.768 3.364 2.837 3.874 0.106 6 0 "[ . 1]" 1
1209 1 1 LEU HA 1 1 LEU HG 2.605 . 3.453 2.922 2.872 2.969 . 0 0 "[ . 1]" 1
1210 1 64 LEU HA 1 64 LEU HB2 2.500 . 3.281 2.972 2.673 3.023 . 0 0 "[ . 1]" 1
1211 1 62 ARG HA 1 62 ARG QG 2.678 . 3.574 2.333 2.316 2.352 . 0 0 "[ . 1]" 1
1212 1 64 LEU HA 1 64 LEU HB3 2.426 . 3.162 2.578 2.474 2.940 . 0 0 "[ . 1]" 1
1213 1 19 LYS HA 1 19 LYS HB2 2.577 . 3.407 3.012 2.990 3.021 . 0 0 "[ . 1]" 1
1214 1 19 LYS HA 1 19 LYS HB3 2.219 . 2.835 2.408 2.318 2.513 . 0 0 "[ . 1]" 1
1215 1 72 PRO HA 1 72 PRO HG3 3.137 . 4.367 2.948 2.812 3.716 . 0 0 "[ . 1]" 1
1216 1 1 LEU QB 1 5 THR HB 3.106 . 4.312 2.485 1.891 3.714 0.009 8 0 "[ . 1]" 1
1217 1 60 LYS HA 1 60 LYS QB 2.639 . 3.509 2.253 2.168 2.406 . 0 0 "[ . 1]" 1
1218 1 60 LYS HA 1 62 ARG QG 2.658 . 6.000 5.306 4.590 5.725 . 0 0 "[ . 1]" 1
1219 1 16 ILE HG13 1 37 THR HB 2.740 . 3.678 3.075 2.946 3.295 . 0 0 "[ . 1]" 1
1220 1 82 ILE HA 1 82 ILE HB 2.597 . 3.440 3.025 3.023 3.028 . 0 0 "[ . 1]" 1
1221 1 7 ARG HA 1 7 ARG HG2 2.886 . 3.927 2.816 2.579 3.107 . 0 0 "[ . 1]" 1
1222 1 3 ARG HA 1 3 ARG HB3 2.361 . 3.058 3.017 3.011 3.025 . 0 0 "[ . 1]" 1
1223 1 57 VAL HB 1 62 ARG HA 2.754 . 6.000 6.081 6.028 6.131 0.131 5 0 "[ . 1]" 1
1224 1 50 GLN HA 1 50 GLN HB3 2.621 . 3.479 2.429 2.375 2.512 . 0 0 "[ . 1]" 1
1225 1 50 GLN HA 1 50 GLN HB2 2.571 . 3.397 2.439 2.369 2.496 . 0 0 "[ . 1]" 1
1226 1 72 PRO HA 1 72 PRO HB3 2.500 . 3.281 2.321 2.256 2.335 . 0 0 "[ . 1]" 1
1227 1 45 ASP HA 1 45 ASP HB2 2.710 . 3.628 2.629 2.380 3.024 . 0 0 "[ . 1]" 1
1228 1 81 GLU HA 1 81 GLU HG3 2.811 . 3.798 3.062 2.811 3.602 . 0 0 "[ . 1]" 1
1229 1 65 GLU HA 1 65 GLU QG 2.810 . 4.188 3.409 3.336 3.479 . 0 0 "[ . 1]" 1
1230 1 51 ASP HA 1 51 ASP HB3 2.430 . 3.168 2.926 2.521 3.035 . 0 0 "[ . 1]" 1
1231 1 49 CYS HB2 1 54 GLY HA3 2.569 . 3.394 3.538 3.139 4.382 0.988 7 2 "[ .-+ 1]" 1
1232 1 4 ASP HA 1 4 ASP HB2 2.479 . 3.247 3.013 3.006 3.021 . 0 0 "[ . 1]" 1
1233 1 50 GLN HA 1 50 GLN HG3 2.887 . 6.000 4.182 3.859 4.264 . 0 0 "[ . 1]" 1
1234 1 50 GLN HA 1 50 GLN HG2 2.862 . 3.886 3.705 3.585 3.775 . 0 0 "[ . 1]" 1
1235 1 53 GLY HA3 1 81 GLU HG2 3.447 . 4.932 3.980 2.204 4.998 0.066 9 0 "[ . 1]" 1
1236 1 61 ILE HA 1 61 ILE HB 2.846 . 3.859 3.022 3.014 3.030 . 0 0 "[ . 1]" 1
1237 1 3 ARG HA 1 3 ARG HB2 2.596 . 3.439 2.440 2.403 2.489 . 0 0 "[ . 1]" 1
1238 1 75 ARG HA 1 75 ARG HB3 2.618 . 3.475 2.435 2.286 2.544 . 0 0 "[ . 1]" 1
1239 1 6 SER HA 1 9 VAL HB 2.759 . 3.710 3.651 3.281 3.760 0.050 9 0 "[ . 1]" 1
1240 1 75 ARG HA 1 75 ARG HB2 2.921 . 3.987 2.886 2.574 3.028 . 0 0 "[ . 1]" 1
1241 1 29 GLY HA3 1 52 LYS QE 2.347 . 3.036 2.334 1.764 2.951 . 0 0 "[ . 1]" 1
1242 1 35 GLN HA 1 35 GLN HG3 2.772 . 3.732 3.458 3.141 3.764 0.032 8 0 "[ . 1]" 1
1243 1 28 PHE HB3 1 29 GLY HA3 2.972 . 6.000 4.611 4.526 4.758 . 0 0 "[ . 1]" 1
1244 1 49 CYS HA 1 49 CYS HB2 2.918 . 3.982 2.371 2.228 2.539 . 0 0 "[ . 1]" 1
1245 1 49 CYS HA 1 49 CYS HB3 2.800 . 3.780 2.690 2.480 3.020 . 0 0 "[ . 1]" 1
1246 1 8 CYS HA 1 11 TYR HB2 3.005 . 4.134 2.439 2.135 2.611 . 0 0 "[ . 1]" 1
1247 1 54 GLY HA3 1 55 HIS HB2 2.781 . 6.000 5.586 5.491 5.679 . 0 0 "[ . 1]" 1
1248 1 8 CYS HA 1 8 CYS QB 2.535 . 3.338 2.471 2.414 2.497 . 0 0 "[ . 1]" 1
1249 1 46 PHE HA 1 46 PHE QB 2.615 . 3.283 2.166 2.139 2.358 . 0 0 "[ . 1]" 1
1250 1 33 TRP HA 1 33 TRP HB3 2.918 . 3.982 2.337 2.314 2.354 . 0 0 "[ . 1]" 1
1251 1 62 ARG HA 1 63 CYS HB2 3.449 . 4.936 4.808 4.738 4.868 . 0 0 "[ . 1]" 1
1252 1 2 PRO HD2 1 5 THR HB 2.813 . 3.802 2.297 2.043 2.675 . 0 0 "[ . 1]" 1
1253 1 37 THR HA 1 38 CYS HB3 3.573 . 5.169 4.916 4.826 5.087 . 0 0 "[ . 1]" 1
1254 1 23 LYS HA 1 25 PHE HB2 3.371 . 4.791 3.574 3.485 3.641 . 0 0 "[ . 1]" 1
1255 1 12 HIS HA 1 12 HIS HB3 2.504 . 3.288 2.324 2.298 2.362 . 0 0 "[ . 1]" 1
1256 1 12 HIS HA 1 12 HIS HB2 2.591 . 3.430 2.995 2.977 3.014 . 0 0 "[ . 1]" 1
1257 1 30 THR HB 1 34 ARG HA 2.448 . 3.197 2.298 2.076 2.492 . 0 0 "[ . 1]" 1
1258 1 37 THR HA 1 37 THR HB 2.220 . 6.000 3.027 3.013 3.033 . 0 0 "[ . 1]" 1
1259 1 18 SER HB2 1 19 LYS HA 2.080 . 6.000 5.374 5.061 5.892 . 0 0 "[ . 1]" 1
1260 1 20 VAL HA 1 22 PRO HD3 2.160 . 6.000 5.922 5.701 6.025 0.025 8 0 "[ . 1]" 1
1261 1 1 LEU HA 1 2 PRO HD3 2.225 . 2.844 1.995 1.845 2.089 . 0 0 "[ . 1]" 1
1262 1 32 SER HA 1 32 SER QB 2.062 . 3.705 2.408 2.170 2.457 . 0 0 "[ . 1]" 1
1263 1 33 TRP HA 1 33 TRP HB2 2.821 . 3.816 3.002 2.986 3.011 . 0 0 "[ . 1]" 1
1264 1 2 PRO HD2 1 5 THR HA 2.922 . 6.000 4.753 4.546 5.163 . 0 0 "[ . 1]" 1
1265 1 5 THR HA 1 8 CYS QB 2.772 . 3.610 2.756 2.548 2.936 . 0 0 "[ . 1]" 1
1266 1 71 CYS HB3 1 76 TRP QB 2.985 . 4.099 2.840 2.677 2.990 . 0 0 "[ . 1]" 1
1267 1 71 CYS HB2 1 72 PRO HD2 3.330 . 4.716 3.679 3.593 3.751 . 0 0 "[ . 1]" 1
1268 1 25 PHE HB2 1 39 CYS HB3 2.869 . 3.898 3.901 3.875 3.927 0.029 2 0 "[ . 1]" 1
1269 1 34 ARG HA 1 35 GLN QB 3.146 . 6.000 5.372 5.155 5.514 . 0 0 "[ . 1]" 1
1270 1 22 PRO HB3 1 22 PRO HD2 2.906 . 3.962 3.872 3.863 3.878 . 0 0 "[ . 1]" 1
1271 1 22 PRO HD2 1 22 PRO HG2 2.751 . 3.697 2.299 2.292 2.305 . 0 0 "[ . 1]" 1
1272 1 22 PRO HB3 1 22 PRO HD3 2.851 . 3.867 2.995 2.966 3.034 . 0 0 "[ . 1]" 1
1273 1 22 PRO HD3 1 22 PRO HG2 2.753 . 3.701 2.980 2.970 2.985 . 0 0 "[ . 1]" 1
1274 1 72 PRO HB3 1 72 PRO HD3 3.329 . 4.714 3.911 3.144 4.033 . 0 0 "[ . 1]" 1
1275 1 9 VAL HA 1 9 VAL HB 2.499 . 3.280 2.600 2.385 3.022 . 0 0 "[ . 1]" 1
1276 1 22 PRO HD3 1 22 PRO HG3 2.521 . 3.316 2.301 2.293 2.306 . 0 0 "[ . 1]" 1
1277 1 22 PRO HB2 1 22 PRO HD3 2.931 . 4.005 3.924 3.909 3.945 . 0 0 "[ . 1]" 1
1278 1 72 PRO HD2 1 72 PRO HG3 2.669 . 3.559 2.929 2.686 2.978 . 0 0 "[ . 1]" 1
1279 1 72 PRO HD3 1 72 PRO HG3 2.596 . 3.438 2.285 2.274 2.318 . 0 0 "[ . 1]" 1
1280 1 22 PRO HD2 1 22 PRO HG3 2.632 . 3.498 2.712 2.702 2.729 . 0 0 "[ . 1]" 1
1281 1 22 PRO HB2 1 22 PRO HD2 2.953 . 4.043 4.033 4.020 4.044 0.001 3 0 "[ . 1]" 1
1282 1 34 ARG HA 1 34 ARG HB2 2.718 . 3.642 2.454 2.410 2.509 . 0 0 "[ . 1]" 1
1283 1 72 PRO HD3 1 72 PRO HG2 2.954 . 4.045 2.785 2.727 2.990 . 0 0 "[ . 1]" 1
1284 1 72 PRO HD2 1 72 PRO HG2 2.795 . 3.771 2.285 2.272 2.311 . 0 0 "[ . 1]" 1
1285 1 4 ASP HB3 1 8 CYS QB 3.577 . 5.176 3.468 3.335 3.626 . 0 0 "[ . 1]" 1
1286 1 8 CYS QB 1 38 CYS HB2 3.771 . 5.549 4.169 4.048 4.369 . 0 0 "[ . 1]" 1
1287 1 8 CYS QB 1 15 CYS HB3 3.514 . 6.000 5.104 4.777 5.973 . 0 0 "[ . 1]" 1
1288 1 58 SER HA 1 59 PRO HD3 2.554 . 3.370 2.490 2.323 2.586 . 0 0 "[ . 1]" 1
1289 1 58 SER HA 1 58 SER HB3 2.862 . 3.886 2.569 2.284 3.024 . 0 0 "[ . 1]" 1
1290 1 58 SER HA 1 58 SER HB2 2.532 . 3.333 2.471 2.371 2.700 . 0 0 "[ . 1]" 1
1291 1 58 SER HA 1 59 PRO HD2 2.593 . 3.433 2.468 2.340 2.669 . 0 0 "[ . 1]" 1
1292 1 24 PRO HB3 1 24 PRO HD3 2.419 . 3.150 3.177 3.162 3.207 0.057 6 0 "[ . 1]" 1
1293 1 2 PRO HB3 1 32 SER QB 3.418 . 4.878 2.786 2.594 3.021 . 0 0 "[ . 1]" 1
1294 1 34 ARG HA 1 34 ARG HG3 3.084 . 4.273 3.578 3.531 3.632 . 0 0 "[ . 1]" 1
1295 1 1 LEU HG 1 2 PRO HD3 3.165 . 4.417 4.122 3.125 4.548 0.131 8 0 "[ . 1]" 1
1296 1 2 PRO HD3 1 2 PRO HG2 2.773 . 3.734 2.678 2.671 2.691 . 0 0 "[ . 1]" 1
1297 1 2 PRO HB3 1 2 PRO HD3 3.039 . 4.193 4.083 4.058 4.099 . 0 0 "[ . 1]" 1
1298 1 69 GLY HA2 1 70 LEU HB2 3.268 . 4.603 4.131 4.033 4.411 . 0 0 "[ . 1]" 1
1299 1 1 LEU QB 1 2 PRO HD3 3.021 . 4.162 3.164 2.820 3.879 . 0 0 "[ . 1]" 1
1300 1 1 LEU QB 1 6 SER HA 3.653 . 5.321 4.478 3.882 5.050 . 0 0 "[ . 1]" 1
1301 1 2 PRO HD3 1 5 THR MG 3.165 . 4.417 3.873 3.566 4.328 . 0 0 "[ . 1]" 1
1302 1 49 CYS HA 1 52 LYS QG 2.806 . 3.790 3.487 3.174 3.807 0.017 10 0 "[ . 1]" 1
1303 1 5 THR HB 1 5 THR MG 2.099 . 2.650 2.136 2.134 2.138 . 0 0 "[ . 1]" 1
1304 1 61 ILE HA 1 61 ILE HG13 2.899 . 3.950 3.801 3.760 3.839 . 0 0 "[ . 1]" 1
1305 1 5 THR HA 1 5 THR MG 2.155 . 2.736 2.402 2.378 2.421 . 0 0 "[ . 1]" 1
1306 1 77 THR HB 1 77 THR MG 2.058 . 2.588 2.132 2.130 2.136 . 0 0 "[ . 1]" 1
1307 1 37 THR HB 1 37 THR MG 2.070 . 2.606 2.135 2.131 2.139 . 0 0 "[ . 1]" 1
1308 1 61 ILE HA 1 61 ILE MD 2.234 . 2.858 2.239 2.132 2.325 . 0 0 "[ . 1]" 1
1309 1 1 LEU QD 1 6 SER HA 2.664 . 3.551 2.880 2.670 3.269 . 0 0 "[ . 1]" 1
1310 1 6 SER HA 1 9 VAL QG . . 3.066 2.303 2.131 2.753 . 0 0 "[ . 1]" 1
1311 1 16 ILE HG12 1 37 THR HB 3.050 . 4.212 3.346 3.093 3.618 . 0 0 "[ . 1]" 1
1312 1 9 VAL HA 1 9 VAL QG 2.032 . 2.679 2.272 2.128 2.365 . 0 0 "[ . 1]" 1
1313 1 29 GLY HA2 1 30 THR MG 2.619 . 3.477 3.287 3.183 3.357 . 0 0 "[ . 1]" 1
1314 1 18 SER HB2 1 20 VAL MG2 2.701 . 3.613 2.276 1.782 3.361 0.007 5 0 "[ . 1]" 1
1315 1 1 LEU QD 1 2 PRO HD3 2.840 . 3.848 2.490 2.282 2.653 . 0 0 "[ . 1]" 1
1316 1 16 ILE MD 1 22 PRO HD2 2.874 . 3.907 3.559 3.142 3.754 . 0 0 "[ . 1]" 1
1317 1 13 GLY HA3 1 40 VAL MG2 2.851 . 3.867 2.842 2.631 2.958 . 0 0 "[ . 1]" 1
1318 1 13 GLY HA3 1 40 VAL MG1 2.768 . 3.726 3.817 3.713 3.874 0.148 7 0 "[ . 1]" 1
1319 1 30 THR MG 1 34 ARG HA 2.235 . 2.859 1.874 1.795 2.003 . 0 0 "[ . 1]" 1
1320 1 34 ARG HA 1 34 ARG HG2 3.039 . 4.193 2.456 2.362 2.550 . 0 0 "[ . 1]" 1
1321 1 11 TYR HB3 1 40 VAL MG2 2.725 . 6.000 5.995 5.835 6.118 0.118 1 0 "[ . 1]" 1
1322 1 24 PRO HB2 1 24 PRO HD2 2.813 . 6.000 3.954 3.934 3.968 . 0 0 "[ . 1]" 1
1323 1 1 LEU QD 1 2 PRO HD2 2.801 . 3.782 2.518 2.350 2.709 . 0 0 "[ . 1]" 1
1324 1 2 PRO HD2 1 5 THR MG 2.462 . 3.220 2.655 2.401 2.908 . 0 0 "[ . 1]" 1
1325 1 2 PRO HB3 1 2 PRO HD2 3.124 . 4.344 3.848 3.827 3.878 . 0 0 "[ . 1]" 1
1326 1 5 THR MG 1 8 CYS QB 3.205 . 4.489 3.817 3.536 4.052 . 0 0 "[ . 1]" 1
1327 1 37 THR MG 1 38 CYS HB3 3.300 . 4.661 4.093 3.987 4.218 . 0 0 "[ . 1]" 1
1328 1 63 CYS HB2 1 82 ILE HG12 2.983 . 4.095 3.366 3.062 3.532 . 0 0 "[ . 1]" 1
1329 1 70 LEU QD 1 76 TRP QB 2.947 . 4.032 3.743 3.535 3.912 . 0 0 "[ . 1]" 1
1330 1 40 VAL MG1 1 46 PHE QB 3.323 . 3.828 3.505 2.602 3.812 . 0 0 "[ . 1]" 1
1331 1 8 CYS QB 1 9 VAL QG 3.468 . 4.972 3.814 3.367 4.038 . 0 0 "[ . 1]" 1
1332 1 28 PHE HB2 1 40 VAL MG2 2.840 . 6.000 5.499 5.358 5.620 . 0 0 "[ . 1]" 1
1333 1 28 PHE HB2 1 40 VAL MG1 2.547 . 3.358 3.369 3.222 3.424 0.066 2 0 "[ . 1]" 1
1334 1 2 PRO HB2 1 36 LYS QE 2.856 . 3.875 3.623 3.422 3.867 . 0 0 "[ . 1]" 1
1335 1 58 SER HB3 1 61 ILE MD 3.140 . 4.372 4.063 2.910 4.706 0.334 1 0 "[ . 1]" 1
1336 1 52 LYS QE 1 52 LYS QG 3.358 . 4.767 2.500 2.203 2.877 . 0 0 "[ . 1]" 1
1337 1 58 SER HB3 1 61 ILE HG12 3.311 . 4.682 3.490 2.086 4.285 . 0 0 "[ . 1]" 1
1338 1 28 PHE HB2 1 40 VAL HB 3.192 . 4.466 4.246 4.082 4.412 . 0 0 "[ . 1]" 1
1339 1 25 PHE HB3 1 39 CYS HB2 3.013 . 4.148 4.083 4.005 4.166 0.018 10 0 "[ . 1]" 1
1340 1 77 THR MG 1 79 CYS QB 2.640 . 6.000 3.983 3.692 4.238 . 0 0 "[ . 1]" 1
1341 1 28 PHE HB3 1 40 VAL MG1 2.507 . 6.000 4.384 4.301 4.416 . 0 0 "[ . 1]" 1
1342 1 79 CYS QB 1 82 ILE MD 2.863 . 3.888 3.689 3.406 3.821 . 0 0 "[ . 1]" 1
1343 1 52 LYS HB3 1 52 LYS QE 3.184 . 4.451 2.441 1.794 4.470 0.123 4 0 "[ . 1]" 1
1344 1 35 GLN QB 1 35 GLN HG2 2.814 . 3.804 2.354 2.294 2.401 . 0 0 "[ . 1]" 1
1345 1 50 GLN HB3 1 50 GLN HG3 2.767 . 3.724 2.594 2.459 2.989 . 0 0 "[ . 1]" 1
1346 1 15 CYS HB3 1 36 LYS HB2 3.286 . 4.635 2.932 2.040 4.144 . 0 0 "[ . 1]" 1
1347 1 34 ARG HB3 1 34 ARG HG2 2.987 . 4.102 2.965 2.944 2.978 . 0 0 "[ . 1]" 1
1348 1 5 THR MG 1 15 CYS HB3 3.343 . 4.740 3.144 2.057 3.806 . 0 0 "[ . 1]" 1
1349 1 24 PRO HB2 1 24 PRO HG3 2.537 . 3.341 2.687 2.683 2.693 . 0 0 "[ . 1]" 1
1350 1 66 GLU QG 1 77 THR MG 2.656 . 3.538 1.954 1.726 2.789 0.048 3 0 "[ . 1]" 1
1351 1 30 THR MG 1 34 ARG HB3 3.002 . 4.128 4.031 3.950 4.114 . 0 0 "[ . 1]" 1
1352 1 34 ARG HB2 1 34 ARG HG2 2.996 . 4.118 2.628 2.589 2.689 . 0 0 "[ . 1]" 1
1353 1 19 LYS HB3 1 19 LYS HG2 2.898 . 3.947 2.523 2.233 3.008 . 0 0 "[ . 1]" 1
1354 1 19 LYS HB3 1 19 LYS HG3 2.784 . 3.753 2.595 2.448 2.981 . 0 0 "[ . 1]" 1
1355 1 16 ILE HB 1 16 ILE HG13 2.996 . 4.118 2.424 2.402 2.454 . 0 0 "[ . 1]" 1
1356 1 5 THR MG 1 9 VAL HB 3.345 . 4.744 3.655 2.942 4.842 0.098 1 0 "[ . 1]" 1
1357 1 52 LYS HB3 1 52 LYS QG 2.986 . 4.100 2.374 2.129 2.513 . 0 0 "[ . 1]" 1
1358 1 57 VAL HB 1 61 ILE HG13 3.085 . 4.275 2.248 1.996 2.605 . 0 0 "[ . 1]" 1
1359 1 57 VAL HB 1 61 ILE HG12 3.342 . 4.738 3.421 3.152 3.773 . 0 0 "[ . 1]" 1
1360 1 66 GLU HB2 1 77 THR MG 3.460 . 4.956 4.026 3.724 4.869 . 0 0 "[ . 1]" 1
1361 1 30 THR MG 1 34 ARG HB2 2.599 . 3.443 3.383 3.269 3.495 0.052 10 0 "[ . 1]" 1
1362 1 9 VAL HB 1 9 VAL QG 2.046 . 2.569 1.893 1.891 1.896 . 0 0 "[ . 1]" 1
1363 1 57 VAL HB 1 61 ILE MG 2.500 . 3.281 2.155 2.064 2.360 . 0 0 "[ . 1]" 1
1364 1 57 VAL HB 1 61 ILE MD 2.828 . 3.828 3.618 3.412 3.771 . 0 0 "[ . 1]" 1
1365 1 20 VAL HB 1 20 VAL MG1 1.870 . 2.307 2.127 2.124 2.129 . 0 0 "[ . 1]" 1
1366 1 61 ILE HB 1 61 ILE MG 1.950 . 2.425 2.127 2.125 2.129 . 0 0 "[ . 1]" 1
1367 1 40 VAL HB 1 40 VAL MG1 2.235 . 2.859 2.112 2.104 2.117 . 0 0 "[ . 1]" 1
1368 1 61 ILE HB 1 61 ILE MD 2.574 . 3.402 3.227 3.212 3.235 . 0 0 "[ . 1]" 1
1369 1 19 LYS HB3 1 37 THR MG 3.454 . 4.946 3.635 3.201 3.938 . 0 0 "[ . 1]" 1
1370 1 40 VAL HB 1 42 THR MG 3.223 . 4.522 4.199 4.121 4.287 . 0 0 "[ . 1]" 1
1371 1 61 ILE HB 1 61 ILE HG12 2.760 . 3.712 2.518 2.482 2.572 . 0 0 "[ . 1]" 1
1372 1 61 ILE HB 1 61 ILE HG13 2.602 . 3.448 2.376 2.333 2.400 . 0 0 "[ . 1]" 1
1373 1 1 LEU QB 1 1 LEU HG 1.888 . 2.334 2.345 2.326 2.358 0.024 5 0 "[ . 1]" 1
1374 1 30 THR MG 1 34 ARG HG2 3.153 . 4.396 1.993 1.861 2.167 0.049 10 0 "[ . 1]" 1
1375 1 30 THR MG 1 34 ARG HG3 2.543 . 3.351 3.430 3.374 3.461 0.110 4 0 "[ . 1]" 1
1376 1 64 LEU HB2 1 64 LEU QD 2.575 . 3.404 2.251 2.126 2.372 . 0 0 "[ . 1]" 1
1377 1 64 LEU QD 1 64 LEU HG 1.998 . 2.497 1.890 1.886 1.892 . 0 0 "[ . 1]" 1
1378 1 16 ILE MD 1 16 ILE HG13 2.126 . 2.691 2.119 2.116 2.121 . 0 0 "[ . 1]" 1
1379 1 82 ILE HB 1 82 ILE MG 2.307 . 2.972 2.129 2.127 2.131 . 0 0 "[ . 1]" 1
1380 1 82 ILE HB 1 82 ILE MD 2.587 . 3.424 2.425 2.404 2.442 . 0 0 "[ . 1]" 1
1381 1 72 PRO HB2 1 73 LEU HG 3.053 . 6.000 4.767 2.950 5.416 . 0 0 "[ . 1]" 1
1382 1 1 LEU QB 1 1 LEU QD 2.577 . 3.407 1.936 1.926 1.946 . 0 0 "[ . 1]" 1
1383 1 26 ALA MB 1 68 LEU QD 2.563 . 3.384 2.694 2.168 3.423 0.039 9 0 "[ . 1]" 1
1384 1 27 ALA MB 1 37 THR MG 1.966 . 2.449 1.870 1.786 1.935 . 0 0 "[ . 1]" 1
1385 1 26 ALA MB 1 42 THR MG 2.224 . 2.842 1.784 1.724 1.824 . 0 0 "[ . 1]" 1
1386 1 5 THR MG 1 9 VAL QG 2.386 . 6.000 3.125 2.426 3.721 . 0 0 "[ . 1]" 1
1387 1 1 LEU QD 1 5 THR MG 2.433 . 3.173 1.918 1.769 2.129 . 0 0 "[ . 1]" 1
1388 1 82 ILE MD 1 82 ILE HG13 2.044 . 2.566 2.121 2.117 2.124 . 0 0 "[ . 1]" 1
1389 1 61 ILE HG13 1 61 ILE MG 2.576 . 3.405 2.470 2.416 2.550 . 0 0 "[ . 1]" 1
1390 1 61 ILE HG12 1 61 ILE MG 2.933 . 4.009 3.185 3.175 3.191 . 0 0 "[ . 1]" 1
1391 1 61 ILE MD 1 61 ILE HG13 2.233 . 2.856 2.115 2.113 2.117 . 0 0 "[ . 1]" 1
1392 1 61 ILE MD 1 61 ILE HG12 2.161 . 2.745 2.108 2.105 2.109 . 0 0 "[ . 1]" 1
1393 1 73 LEU QD 1 73 LEU HG 2.165 . 2.751 1.882 1.876 1.891 . 0 0 "[ . 1]" 1
1394 1 73 LEU QB 1 73 LEU QD 2.607 . 3.457 2.030 1.923 2.068 0.064 5 0 "[ . 1]" 1
1395 1 73 LEU QB 1 73 LEU HG 3.415 . 4.872 2.183 2.113 2.409 . 0 0 "[ . 1]" 1
1396 1 73 LEU MD1 1 73 LEU MD2 2.198 . 2.802 2.090 2.064 2.101 . 0 0 "[ . 1]" 1
1397 1 59 PRO HB3 1 60 LYS HA 3.864 . 5.730 5.573 4.856 5.729 . 0 0 "[ . 1]" 1
1398 1 49 CYS HA 1 52 LYS HB3 3.556 . 5.136 4.352 2.807 5.215 0.079 1 0 "[ . 1]" 1
1399 1 57 VAL H 1 77 THR HA 3.785 . 5.575 5.178 4.943 5.390 . 0 0 "[ . 1]" 1
1400 1 41 ASP HB2 1 43 THR H 3.383 . 6.000 5.274 4.185 5.941 . 0 0 "[ . 1]" 1
1401 1 24 PRO HG2 1 43 THR H 3.401 . 4.847 4.779 4.595 4.873 0.026 2 0 "[ . 1]" 1
1402 1 22 PRO HB2 1 23 LYS H 2.621 . 3.480 2.208 2.139 2.292 . 0 0 "[ . 1]" 1
1403 1 9 VAL H 1 9 VAL HB 2.231 . 2.853 2.548 2.498 2.660 . 0 0 "[ . 1]" 1
1404 1 67 GLN H 1 67 GLN HG3 3.486 . 5.005 4.463 4.305 4.563 . 0 0 "[ . 1]" 1
1405 1 66 GLU HB2 1 67 GLN H 2.736 . 6.000 4.455 4.367 4.571 . 0 0 "[ . 1]" 1
1406 1 56 CYS HA 1 76 TRP HZ3 3.638 . 5.293 5.043 4.897 5.198 . 0 0 "[ . 1]" 1
1407 1 56 CYS HA 1 76 TRP HE3 3.133 . 4.360 3.515 3.303 3.718 . 0 0 "[ . 1]" 1
1408 1 25 PHE QD 1 39 CYS HA 3.264 . 4.595 4.249 4.100 4.418 . 0 0 "[ . 1]" 1
1409 1 31 CYS HA 1 32 SER QB 3.657 . 5.329 4.917 4.816 5.215 . 0 0 "[ . 1]" 1
1410 1 8 CYS HA 1 11 TYR HB3 3.808 . 5.621 4.071 3.763 4.310 . 0 0 "[ . 1]" 1
1411 1 63 CYS HB2 1 82 ILE HA 3.691 . 5.394 4.159 3.717 4.770 . 0 0 "[ . 1]" 1
1412 1 49 CYS HB3 1 69 GLY HA3 3.906 . 5.813 4.729 4.217 5.505 . 0 0 "[ . 1]" 1
1413 1 49 CYS HB2 1 69 GLY HA3 3.831 . 5.665 5.459 4.050 5.743 0.078 2 0 "[ . 1]" 1
1414 1 77 THR HB 1 79 CYS QB 3.756 . 5.519 3.888 3.416 4.169 . 0 0 "[ . 1]" 1
1415 1 71 CYS HB2 1 72 PRO HD3 3.746 . 5.500 4.674 4.444 5.023 . 0 0 "[ . 1]" 1
1416 1 22 PRO HD2 1 25 PHE HB3 3.717 . 5.444 3.246 3.117 3.338 . 0 0 "[ . 1]" 1
1417 1 12 HIS HB3 1 51 ASP HB3 3.906 . 5.813 5.855 5.805 5.897 0.084 1 0 "[ . 1]" 1
1418 1 32 SER QB 1 36 LYS QE 3.601 . 5.222 3.871 3.579 4.165 . 0 0 "[ . 1]" 1
1419 1 66 GLU QG 1 79 CYS QB 3.573 . 6.000 5.413 5.119 5.592 . 0 0 "[ . 1]" 1
1420 1 36 LYS HB2 1 36 LYS QE 3.613 . 5.245 2.851 2.025 3.727 . 0 0 "[ . 1]" 1
1421 1 52 LYS HB2 1 52 LYS QE 3.505 . 5.041 3.610 3.303 4.178 . 0 0 "[ . 1]" 1
1422 1 60 LYS QB 1 61 ILE MD 3.641 . 5.298 4.150 3.564 4.760 . 0 0 "[ . 1]" 1
1423 1 15 CYS HB3 1 36 LYS HB3 3.749 . 5.506 4.247 3.371 5.306 . 0 0 "[ . 1]" 1
1424 1 37 THR MG 1 38 CYS HB2 3.686 . 5.384 4.405 4.320 4.490 . 0 0 "[ . 1]" 1
1425 1 28 PHE HB3 1 42 THR MG 3.688 . 5.389 5.579 5.524 5.645 0.256 6 0 "[ . 1]" 1
1426 1 72 PRO HB3 1 73 LEU QD 3.690 . 5.392 3.746 3.425 4.699 . 0 0 "[ . 1]" 1
1427 1 36 LYS HB3 1 36 LYS QE 3.544 . 5.114 2.783 1.933 3.279 0.041 5 0 "[ . 1]" 1
1428 1 58 SER HB3 1 61 ILE HG13 3.492 . 5.016 3.910 2.690 4.654 . 0 0 "[ . 1]" 1
1429 1 47 HIS HB3 1 68 LEU QD 3.944 . 5.888 5.101 3.800 5.810 . 0 0 "[ . 1]" 1
1430 1 58 SER HB2 1 61 ILE MD 3.734 . 5.477 4.684 4.227 5.155 . 0 0 "[ . 1]" 1
1431 1 9 VAL QG 1 14 TYR HA 3.666 . 5.346 2.480 1.924 3.194 0.062 5 0 "[ . 1]" 1
1432 1 82 ILE HA 1 82 ILE HG12 3.490 . 5.013 2.600 2.546 2.642 . 0 0 "[ . 1]" 1
1433 1 27 ALA MB 1 37 THR HB 3.629 . 5.275 3.993 3.804 4.129 . 0 0 "[ . 1]" 1
1434 1 1 LEU HG 1 5 THR HB 3.338 . 4.731 3.954 2.000 4.805 0.074 10 0 "[ . 1]" 1
1435 1 30 THR HB 1 34 ARG HB2 3.604 . 5.227 4.476 4.195 4.727 . 0 0 "[ . 1]" 1
1436 1 59 PRO HA 1 65 GLU QG 3.627 . 6.000 5.412 4.528 5.808 . 0 0 "[ . 1]" 1
1437 1 22 PRO HB3 1 23 LYS HA 3.817 . 5.638 5.611 5.586 5.637 . 0 0 "[ . 1]" 1
1438 1 29 GLY HA3 1 38 CYS HB2 3.703 . 5.417 5.246 4.904 5.446 0.029 6 0 "[ . 1]" 1
1439 1 8 CYS HA 1 38 CYS HB2 3.893 . 6.000 6.031 5.912 6.116 0.116 6 0 "[ . 1]" 1
1440 1 50 GLN HG3 1 51 ASP HA 3.707 . 5.424 4.897 3.486 5.446 0.022 6 0 "[ . 1]" 1
1441 1 50 GLN HG2 1 51 ASP HA 3.517 . 5.063 3.766 3.295 4.518 . 0 0 "[ . 1]" 1
1442 1 17 ARG HA 1 36 LYS QE 3.764 . 5.535 4.999 4.454 5.294 . 0 0 "[ . 1]" 1
1443 1 68 LEU HA 1 78 CYS HB3 3.684 . 5.380 4.613 4.184 5.045 . 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 26
_Distance_constraint_stats_list.Viol_count 41
_Distance_constraint_stats_list.Viol_total 29.500
_Distance_constraint_stats_list.Viol_max 0.195
_Distance_constraint_stats_list.Viol_rms 0.0359
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0113
_Distance_constraint_stats_list.Viol_average_violations_only 0.0720
_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 0.202 0.066 8 0 "[ . 1]"
1 16 ILE 0.001 0.001 3 0 "[ . 1]"
1 24 PRO 0.000 0.000 . 0 "[ . 1]"
1 26 ALA 0.805 0.136 3 0 "[ . 1]"
1 28 PHE 1.776 0.195 1 0 "[ . 1]"
1 37 THR 0.001 0.001 3 0 "[ . 1]"
1 38 CYS 1.776 0.195 1 0 "[ . 1]"
1 39 CYS 0.202 0.066 8 0 "[ . 1]"
1 40 VAL 0.805 0.136 3 0 "[ . 1]"
1 42 THR 0.000 0.000 . 0 "[ . 1]"
1 55 HIS 0.083 0.026 7 0 "[ . 1]"
1 57 VAL 0.084 0.063 9 0 "[ . 1]"
1 77 THR 0.084 0.063 9 0 "[ . 1]"
1 79 CYS 0.083 0.026 7 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 28 PHE O 1 38 CYS H 2.200 . 2.700 2.861 2.800 2.895 0.195 1 0 "[ . 1]" 2
2 1 28 PHE H 1 38 CYS O 2.200 . 2.700 1.769 1.665 1.882 0.065 9 0 "[ . 1]" 2
3 1 26 ALA O 1 40 VAL H 2.200 . 2.700 2.780 2.715 2.836 0.136 3 0 "[ . 1]" 2
4 1 26 ALA H 1 40 VAL O 2.200 . 2.700 2.309 2.210 2.454 . 0 0 "[ . 1]" 2
5 1 24 PRO O 1 42 THR H 2.200 . 2.700 2.133 1.926 2.398 . 0 0 "[ . 1]" 2
6 1 16 ILE O 1 37 THR H 2.200 . 2.700 1.890 1.729 2.124 0.001 3 0 "[ . 1]" 2
7 1 16 ILE H 1 37 THR O 2.200 . 2.700 2.392 2.144 2.649 . 0 0 "[ . 1]" 2
8 1 14 TYR O 1 39 CYS H 2.200 . 2.700 1.716 1.664 1.769 0.066 8 0 "[ . 1]" 2
9 1 14 TYR H 1 39 CYS O 2.200 . 2.700 2.168 2.029 2.281 . 0 0 "[ . 1]" 2
10 1 55 HIS H 1 79 CYS O 2.200 . 2.700 1.910 1.718 2.198 0.012 5 0 "[ . 1]" 2
11 1 55 HIS O 1 79 CYS H 2.200 . 2.700 1.739 1.704 1.811 0.026 7 0 "[ . 1]" 2
12 1 57 VAL H 1 77 THR O 2.200 . 2.700 2.427 2.140 2.720 0.020 9 0 "[ . 1]" 2
13 1 57 VAL O 1 77 THR H 2.200 . 2.700 2.369 2.072 2.763 0.063 9 0 "[ . 1]" 2
14 1 26 ALA N 1 40 VAL O 3.200 2.516 3.927 3.205 3.104 3.346 . 0 0 "[ . 1]" 2
15 1 14 TYR N 1 39 CYS O 3.200 2.516 3.927 2.915 2.836 3.002 . 0 0 "[ . 1]" 2
16 1 26 ALA O 1 40 VAL N 3.200 2.516 3.927 3.608 3.524 3.680 . 0 0 "[ . 1]" 2
17 1 28 PHE O 1 38 CYS N 3.200 2.516 3.927 3.585 3.533 3.622 . 0 0 "[ . 1]" 2
18 1 55 HIS O 1 79 CYS N 3.200 2.516 3.927 2.695 2.662 2.757 . 0 0 "[ . 1]" 2
19 1 57 VAL O 1 77 THR N 3.200 2.516 3.927 3.272 3.042 3.566 . 0 0 "[ . 1]" 2
20 1 16 ILE N 1 37 THR O 3.200 2.516 3.927 3.094 2.899 3.299 . 0 0 "[ . 1]" 2
21 1 24 PRO O 1 42 THR N 3.200 2.516 3.927 2.845 2.750 2.962 . 0 0 "[ . 1]" 2
22 1 28 PHE N 1 38 CYS O 3.200 2.516 3.927 2.643 2.565 2.726 . 0 0 "[ . 1]" 2
23 1 57 VAL N 1 77 THR O 3.200 2.516 3.927 3.399 3.115 3.688 . 0 0 "[ . 1]" 2
24 1 55 HIS N 1 79 CYS O 3.200 2.516 3.927 2.846 2.671 3.087 . 0 0 "[ . 1]" 2
25 1 16 ILE O 1 37 THR N 3.200 2.516 3.927 2.753 2.681 2.815 . 0 0 "[ . 1]" 2
26 1 14 TYR O 1 39 CYS N 3.200 2.516 3.927 2.667 2.619 2.712 . 0 0 "[ . 1]" 2
stop_
save_
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