NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
563599 |
2lwp   |
18416 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lwp
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 955
_Distance_constraint_stats_list.Viol_count 1811
_Distance_constraint_stats_list.Viol_total 2845.260
_Distance_constraint_stats_list.Viol_max 0.986
_Distance_constraint_stats_list.Viol_rms 0.0439
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0092
_Distance_constraint_stats_list.Viol_average_violations_only 0.0873
_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 3 LYS 7.384 0.253 8 0 "[ . 1 . ]"
1 4 THR 1.651 0.106 10 0 "[ . 1 . ]"
1 5 GLU 0.032 0.032 6 0 "[ . 1 . ]"
1 6 GLU 4.768 0.488 6 0 "[ . 1 . ]"
1 7 MET 4.446 0.243 5 0 "[ . 1 . ]"
1 8 VAL 2.686 0.136 11 0 "[ . 1 . ]"
1 9 GLN 4.189 0.268 18 0 "[ . 1 . ]"
1 10 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 11 GLU 2.975 0.453 14 0 "[ . 1 . ]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 13 MET 0.922 0.231 12 0 "[ . 1 . ]"
1 14 GLU 2.368 0.423 16 0 "[ . 1 . ]"
1 15 THR 1.869 0.192 17 0 "[ . 1 . ]"
1 16 PRO 10.199 0.210 6 0 "[ . 1 . ]"
1 17 ARG 3.567 0.986 14 1 "[ . 1 +. ]"
1 18 LEU 5.863 0.488 6 0 "[ . 1 . ]"
1 19 SER 7.125 0.235 4 0 "[ . 1 . ]"
1 20 VAL 0.129 0.029 5 0 "[ . 1 . ]"
1 21 ILE 7.179 0.573 13 3 "[ .- 1 + . * ]"
1 22 VAL 1.149 0.117 8 0 "[ . 1 . ]"
1 23 THR 1.061 0.152 7 0 "[ . 1 . ]"
1 24 HIS 1.184 0.124 16 0 "[ . 1 . ]"
1 25 SER 4.096 0.770 14 2 "[ - 1 +. ]"
1 26 ASN 2.427 0.604 14 1 "[ . 1 +. ]"
1 27 GLU 5.027 0.770 14 2 "[ - 1 +. ]"
1 28 ARG 2.862 0.604 14 1 "[ . 1 +. ]"
1 29 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 31 LEU 4.529 0.175 9 0 "[ . 1 . ]"
1 32 LEU 3.324 0.201 4 0 "[ . 1 . ]"
1 33 VAL 5.046 0.233 11 0 "[ . 1 . ]"
1 34 THR 1.764 0.145 18 0 "[ . 1 . ]"
1 35 PRO 1.343 0.113 1 0 "[ . 1 . ]"
1 36 GLN 1.420 0.423 16 0 "[ . 1 . ]"
1 37 GLN 4.270 0.152 2 0 "[ . 1 . ]"
1 38 GLY 2.993 0.209 10 0 "[ . 1 . ]"
1 39 ASN 3.585 0.209 10 0 "[ . 1 . ]"
1 40 SER 4.369 0.166 14 0 "[ . 1 . ]"
1 41 GLU 1.445 0.118 4 0 "[ . 1 . ]"
1 42 PRO 1.107 0.094 1 0 "[ . 1 . ]"
1 43 VAL 1.715 0.082 5 0 "[ . 1 . ]"
1 44 VAL 1.617 0.104 4 0 "[ . 1 . ]"
1 45 GLN 1.564 0.350 10 0 "[ . 1 . ]"
1 46 ASP 3.540 0.526 18 1 "[ . 1 . +]"
1 47 LEU 1.401 0.350 10 0 "[ . 1 . ]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 49 GLN 7.236 0.526 18 1 "[ . 1 . +]"
1 50 LEU 5.249 0.141 16 0 "[ . 1 . ]"
1 51 VAL 11.583 0.473 9 0 "[ . 1 . ]"
1 52 GLU 0.650 0.510 12 1 "[ . 1 + . ]"
1 53 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 54 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 55 THR 0.765 0.092 9 0 "[ . 1 . ]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 57 VAL 0.311 0.115 17 0 "[ . 1 . ]"
1 58 PRO 2.430 0.516 9 1 "[ . +1 . ]"
1 59 LEU 0.686 0.098 9 0 "[ . 1 . ]"
1 60 PRO 2.227 0.091 9 0 "[ . 1 . ]"
1 61 PHE 4.588 0.516 9 1 "[ . +1 . ]"
1 62 GLN 11.063 0.473 9 0 "[ . 1 . ]"
1 63 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 64 LEU 14.147 0.911 2 18 [*+***************-]
1 65 ILE 3.099 0.163 3 0 "[ . 1 . ]"
1 66 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 67 LYS 7.588 0.176 3 0 "[ . 1 . ]"
1 68 GLY 2.425 0.100 5 0 "[ . 1 . ]"
1 69 LYS 2.720 0.116 15 0 "[ . 1 . ]"
1 70 SER 2.789 0.176 3 0 "[ . 1 . ]"
1 71 LEU 17.554 0.911 2 18 [*+***************-]
1 72 LYS 1.358 0.425 6 0 "[ . 1 . ]"
1 74 MET 0.496 0.104 4 0 "[ . 1 . ]"
1 75 GLU 1.343 0.117 1 0 "[ . 1 . ]"
1 76 THR 2.962 0.425 6 0 "[ . 1 . ]"
1 77 PRO 0.052 0.030 14 0 "[ . 1 . ]"
1 78 LEU 5.096 0.178 7 0 "[ . 1 . ]"
1 79 SER 1.398 0.134 13 0 "[ . 1 . ]"
1 80 ALA 1.010 0.769 14 1 "[ . 1 +. ]"
1 81 LEU 6.440 0.131 12 0 "[ . 1 . ]"
1 82 GLY 2.722 0.185 6 0 "[ . 1 . ]"
1 83 MET 1.466 0.769 14 1 "[ . 1 +. ]"
1 84 GLN 5.061 0.253 8 0 "[ . 1 . ]"
1 85 ASN 6.257 0.324 14 0 "[ . 1 . ]"
1 86 GLY 5.566 0.210 6 0 "[ . 1 . ]"
1 87 CYS 5.066 0.573 13 3 "[ .- 1 + . * ]"
1 88 ARG 0.570 0.076 10 0 "[ . 1 . ]"
1 89 VAL 2.376 0.159 2 0 "[ . 1 . ]"
1 90 MET 7.811 0.323 11 0 "[ . 1 . ]"
1 91 LEU 2.912 0.145 9 0 "[ . 1 . ]"
1 92 ILE 0.037 0.037 9 0 "[ . 1 . ]"
1 93 GLY 0.518 0.080 9 0 "[ . 1 . ]"
1 94 GLU 0.127 0.052 13 0 "[ . 1 . ]"
1 95 LYS 8.466 0.439 16 0 "[ . 1 . ]"
1 96 SER 1.300 0.143 16 0 "[ . 1 . ]"
1 97 ASN 0.000 0.000 . 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 69 LYS QD 1 70 SER H 2.000 . 6.000 5.039 4.474 5.426 . 0 0 "[ . 1 . ]" 1
2 1 63 LYS H 1 92 ILE H 1.600 . 6.000 3.131 2.871 3.336 . 0 0 "[ . 1 . ]" 1
3 1 92 ILE H 1 92 ILE HG13 2.500 . 3.300 2.633 2.206 2.767 . 0 0 "[ . 1 . ]" 1
4 1 19 SER H 1 85 ASN HA 2.100 . 6.000 3.138 2.870 3.373 . 0 0 "[ . 1 . ]" 1
5 1 65 ILE H 1 66 PHE H 2.500 . 6.000 3.979 3.951 4.014 . 0 0 "[ . 1 . ]" 1
6 1 64 LEU H 1 64 LEU QB 1.800 . 2.200 2.172 2.150 2.194 . 0 0 "[ . 1 . ]" 1
7 1 17 ARG H 1 17 ARG HA 2.100 . 2.700 2.256 2.247 2.275 . 0 0 "[ . 1 . ]" 1
8 1 27 GLU HA 1 28 ARG H 2.300 . 2.900 2.169 2.124 2.294 . 0 0 "[ . 1 . ]" 1
9 1 19 SER HA 1 20 VAL H 2.200 . 2.800 2.096 2.056 2.122 . 0 0 "[ . 1 . ]" 1
10 1 53 GLU H 1 53 GLU QB 2.200 . 2.800 2.240 2.209 2.266 . 0 0 "[ . 1 . ]" 1
11 1 22 VAL HA 1 23 THR H 2.200 . 2.800 2.136 2.095 2.180 . 0 0 "[ . 1 . ]" 1
12 1 8 VAL HA 1 9 GLN H 2.200 . 2.800 2.492 2.369 2.618 . 0 0 "[ . 1 . ]" 1
13 1 41 GLU H 1 81 LEU HB3 3.000 . 6.000 6.078 6.009 6.118 0.118 4 0 "[ . 1 . ]" 1
14 1 16 PRO HA 1 17 ARG H 2.400 . 3.100 2.749 2.661 2.808 . 0 0 "[ . 1 . ]" 1
15 1 31 LEU H 1 31 LEU QB 2.200 . 2.800 2.410 2.299 2.574 . 0 0 "[ . 1 . ]" 1
16 1 33 VAL HA 1 34 THR H 2.300 . 2.900 2.359 2.326 2.397 . 0 0 "[ . 1 . ]" 1
17 1 70 SER HA 1 71 LEU H 2.300 . 3.000 2.328 2.258 2.367 . 0 0 "[ . 1 . ]" 1
18 1 23 THR HA 1 24 HIS H 2.300 . 3.000 2.157 2.075 2.264 . 0 0 "[ . 1 . ]" 1
19 1 75 GLU HA 1 76 THR H 2.800 . 3.700 3.393 2.994 3.517 . 0 0 "[ . 1 . ]" 1
20 1 45 GLN HA 1 48 ALA H 2.400 . 6.000 4.022 3.810 4.247 . 0 0 "[ . 1 . ]" 1
21 1 63 LYS HA 1 64 LEU H 2.300 . 3.000 2.204 2.132 2.261 . 0 0 "[ . 1 . ]" 1
22 1 29 TYR HA 1 30 ASP H 2.500 . 3.300 2.211 2.148 2.271 . 0 0 "[ . 1 . ]" 1
23 1 6 GLU HA 1 7 MET H 2.700 . 3.600 3.457 3.363 3.511 . 0 0 "[ . 1 . ]" 1
24 1 31 LEU HA 1 32 LEU H 2.200 . 2.800 2.428 2.396 2.462 . 0 0 "[ . 1 . ]" 1
25 1 6 GLU QG 1 7 MET H 3.400 . 4.800 3.692 3.405 3.900 . 0 0 "[ . 1 . ]" 1
26 1 69 LYS HA 1 70 SER H 2.400 . 3.100 2.172 2.067 2.254 . 0 0 "[ . 1 . ]" 1
27 1 88 ARG HA 1 89 VAL H 2.300 . 3.000 2.253 2.232 2.294 . 0 0 "[ . 1 . ]" 1
28 1 93 GLY HA3 1 94 GLU H 2.400 . 3.100 2.206 2.122 2.293 . 0 0 "[ . 1 . ]" 1
29 1 48 ALA H 1 71 LEU QB 3.000 . 4.100 3.647 3.342 3.963 . 0 0 "[ . 1 . ]" 1
30 1 94 GLU HA 1 95 LYS H 2.400 . 3.100 2.168 2.143 2.221 . 0 0 "[ . 1 . ]" 1
31 1 90 MET HA 1 91 LEU H 2.100 . 2.600 2.054 2.028 2.070 . 0 0 "[ . 1 . ]" 1
32 1 20 VAL HA 1 21 ILE H 2.300 . 2.900 2.261 2.233 2.296 . 0 0 "[ . 1 . ]" 1
33 1 65 ILE H 1 91 LEU HB2 3.400 . 4.900 4.814 4.725 4.859 . 0 0 "[ . 1 . ]" 1
34 1 79 SER H 1 79 SER QB 2.600 . 3.500 2.423 2.186 2.635 . 0 0 "[ . 1 . ]" 1
35 1 18 LEU HA 1 19 SER H 2.200 . 2.800 2.104 2.053 2.137 . 0 0 "[ . 1 . ]" 1
36 1 88 ARG H 1 88 ARG HB3 2.800 . 3.800 3.223 3.157 3.336 . 0 0 "[ . 1 . ]" 1
37 1 64 LEU HA 1 65 ILE H 2.200 . 2.800 2.031 2.008 2.059 . 0 0 "[ . 1 . ]" 1
38 1 46 ASP H 1 46 ASP HB2 2.400 . 3.100 2.713 2.629 2.924 . 0 0 "[ . 1 . ]" 1
39 1 12 GLU HA 1 13 MET H 2.700 . 3.600 2.770 2.574 3.072 . 0 0 "[ . 1 . ]" 1
40 1 28 ARG HA 1 29 TYR H 2.400 . 3.100 2.108 2.069 2.153 . 0 0 "[ . 1 . ]" 1
41 1 59 LEU H 1 59 LEU QB 2.600 . 3.400 2.386 1.998 2.648 . 0 0 "[ . 1 . ]" 1
42 1 74 MET HA 1 75 GLU H 2.500 . 3.300 2.308 2.163 2.615 . 0 0 "[ . 1 . ]" 1
43 1 50 LEU H 1 50 LEU HB3 3.000 . 4.100 3.536 3.516 3.548 . 0 0 "[ . 1 . ]" 1
44 1 30 ASP HA 1 31 LEU H 2.500 . 3.300 2.111 2.055 2.200 . 0 0 "[ . 1 . ]" 1
45 1 14 GLU H 1 14 GLU HB3 2.400 . 3.100 2.585 2.354 2.765 . 0 0 "[ . 1 . ]" 1
46 1 87 CYS HA 1 88 ARG H 2.500 . 3.300 3.035 2.972 3.203 . 0 0 "[ . 1 . ]" 1
47 1 78 LEU HB2 1 80 ALA H 3.100 . 6.000 5.014 4.928 5.105 . 0 0 "[ . 1 . ]" 1
48 1 28 ARG H 1 28 ARG QB 2.600 . 3.500 2.512 2.262 2.820 . 0 0 "[ . 1 . ]" 1
49 1 17 ARG HA 1 18 LEU H 2.400 . 3.100 2.477 2.369 2.671 . 0 0 "[ . 1 . ]" 1
50 1 58 PRO HA 1 59 LEU H 2.500 . 3.300 2.237 2.161 2.304 . 0 0 "[ . 1 . ]" 1
51 1 51 VAL H 1 51 VAL HB 2.200 . 2.800 1.971 1.950 2.032 . 0 0 "[ . 1 . ]" 1
52 1 86 GLY HA2 1 87 CYS H 2.600 . 3.500 3.463 3.395 3.498 . 0 0 "[ . 1 . ]" 1
53 1 83 MET HA 1 84 GLN H 2.600 . 3.400 2.214 2.180 2.286 . 0 0 "[ . 1 . ]" 1
54 1 71 LEU H 1 71 LEU QB 2.300 . 3.000 2.357 2.267 2.483 . 0 0 "[ . 1 . ]" 1
55 1 84 GLN HA 1 85 ASN H 2.500 . 3.300 2.745 2.674 2.825 . 0 0 "[ . 1 . ]" 1
56 1 78 LEU H 1 78 LEU HG 2.900 . 4.000 3.173 2.967 3.278 . 0 0 "[ . 1 . ]" 1
57 1 3 LYS QD 1 87 CYS H 2.700 . 3.600 2.844 2.333 2.959 . 0 0 "[ . 1 . ]" 1
58 1 56 GLY H 1 56 GLY HA2 2.500 . 3.300 2.343 2.314 2.397 . 0 0 "[ . 1 . ]" 1
59 1 69 LYS H 1 69 LYS HB2 2.500 . 3.300 2.562 2.322 2.861 . 0 0 "[ . 1 . ]" 1
60 1 31 LEU QB 1 54 ALA H 3.100 . 6.000 4.440 4.228 4.587 . 0 0 "[ . 1 . ]" 1
61 1 21 ILE HA 1 22 VAL H 2.500 . 3.300 2.169 2.131 2.217 . 0 0 "[ . 1 . ]" 1
62 1 52 GLU H 1 52 GLU HB3 2.400 . 3.100 2.358 2.182 3.610 0.510 12 1 "[ . 1 + . ]" 1
63 1 85 ASN H 1 85 ASN QB 2.700 . 3.600 2.658 2.575 2.725 . 0 0 "[ . 1 . ]" 1
64 1 33 VAL H 1 50 LEU HG 3.200 . 6.000 6.107 6.056 6.141 0.141 16 0 "[ . 1 . ]" 1
65 1 46 ASP H 1 46 ASP HB3 2.300 . 3.000 2.298 2.201 2.355 . 0 0 "[ . 1 . ]" 1
66 1 30 ASP H 1 30 ASP QB 2.800 . 3.800 2.456 2.164 2.757 . 0 0 "[ . 1 . ]" 1
67 1 67 LYS H 1 67 LYS HA 2.300 . 3.000 2.247 2.239 2.259 . 0 0 "[ . 1 . ]" 1
68 1 43 VAL HB 1 44 VAL H 2.400 . 3.100 2.421 2.264 2.534 . 0 0 "[ . 1 . ]" 1
69 1 7 MET H 1 84 GLN HA 3.200 . 4.500 4.189 3.682 4.503 0.003 6 0 "[ . 1 . ]" 1
70 1 39 ASN H 1 39 ASN QB 2.900 . 3.900 3.053 2.880 3.521 . 0 0 "[ . 1 . ]" 1
71 1 49 GLN H 1 49 GLN HB3 2.500 . 3.300 2.400 2.300 2.508 . 0 0 "[ . 1 . ]" 1
72 1 35 PRO HA 1 36 GLN H 2.400 . 3.100 2.264 2.063 2.349 . 0 0 "[ . 1 . ]" 1
73 1 90 MET H 1 90 MET QB 2.600 . 3.500 2.749 2.586 2.868 . 0 0 "[ . 1 . ]" 1
74 1 81 LEU H 1 81 LEU HB2 2.400 . 3.100 2.124 2.104 2.156 . 0 0 "[ . 1 . ]" 1
75 1 48 ALA H 1 48 ALA HA 2.600 . 3.500 2.841 2.814 2.849 . 0 0 "[ . 1 . ]" 1
76 1 77 PRO HB3 1 78 LEU H 3.300 . 4.600 3.302 2.964 3.534 . 0 0 "[ . 1 . ]" 1
77 1 39 ASN HA 1 40 SER H 2.800 . 3.800 3.481 3.404 3.513 . 0 0 "[ . 1 . ]" 1
78 1 47 LEU H 1 47 LEU QB 2.600 . 3.400 2.372 2.075 2.702 . 0 0 "[ . 1 . ]" 1
79 1 25 SER H 1 25 SER HA 2.700 . 3.600 2.276 2.266 2.289 . 0 0 "[ . 1 . ]" 1
80 1 61 PHE H 1 62 GLN H 2.700 . 3.600 2.312 1.939 2.433 . 0 0 "[ . 1 . ]" 1
81 1 95 LYS HA 1 96 SER H 2.700 . 3.600 2.425 2.291 2.620 . 0 0 "[ . 1 . ]" 1
82 1 70 SER H 1 70 SER QB 2.800 . 3.800 2.669 2.457 3.021 . 0 0 "[ . 1 . ]" 1
83 1 43 VAL H 1 81 LEU HG 2.700 . 3.600 3.644 3.627 3.682 0.082 5 0 "[ . 1 . ]" 1
84 1 38 GLY H 1 38 GLY HA3 2.700 . 3.600 2.737 2.581 2.959 . 0 0 "[ . 1 . ]" 1
85 1 52 GLU H 1 52 GLU HB2 3.400 . 4.800 2.663 2.186 2.812 . 0 0 "[ . 1 . ]" 1
86 1 46 ASP H 1 47 LEU H 2.500 . 3.300 2.802 2.666 2.916 . 0 0 "[ . 1 . ]" 1
87 1 9 GLN HA 1 10 THR H 3.100 . 4.300 3.605 3.579 3.623 . 0 0 "[ . 1 . ]" 1
88 1 43 VAL HA 1 44 VAL H 2.400 . 3.100 2.393 2.315 2.470 . 0 0 "[ . 1 . ]" 1
89 1 82 GLY H 1 82 GLY HA2 2.700 . 3.600 2.442 2.419 2.455 . 0 0 "[ . 1 . ]" 1
90 1 24 HIS HA 1 25 SER H 2.700 . 3.600 2.162 2.100 2.204 . 0 0 "[ . 1 . ]" 1
91 1 83 MET H 1 83 MET HB2 3.600 . 5.200 3.559 2.595 3.636 . 0 0 "[ . 1 . ]" 1
92 1 34 THR H 1 50 LEU HG 3.000 . 6.000 4.701 4.607 4.793 . 0 0 "[ . 1 . ]" 1
93 1 62 GLN H 1 62 GLN HB2 3.200 . 4.500 3.761 3.712 3.812 . 0 0 "[ . 1 . ]" 1
94 1 18 LEU HB3 1 19 SER H 3.000 . 4.100 3.450 3.261 3.699 . 0 0 "[ . 1 . ]" 1
95 1 34 THR H 1 81 LEU HG 3.800 . 6.000 5.887 5.686 6.036 0.036 17 0 "[ . 1 . ]" 1
96 1 81 LEU H 1 81 LEU HB3 3.200 . 4.500 3.064 2.968 3.176 . 0 0 "[ . 1 . ]" 1
97 1 53 GLU QB 1 54 ALA H 2.900 . 4.000 2.987 2.906 3.050 . 0 0 "[ . 1 . ]" 1
98 1 22 VAL H 1 22 VAL HB 2.700 . 3.600 2.694 2.635 2.776 . 0 0 "[ . 1 . ]" 1
99 1 18 LEU H 1 18 LEU HB2 2.500 . 3.300 2.346 2.193 2.406 . 0 0 "[ . 1 . ]" 1
100 1 26 ASN H 1 26 ASN HA 3.000 . 4.100 2.774 2.271 2.864 . 0 0 "[ . 1 . ]" 1
101 1 44 VAL H 1 81 LEU HG 2.800 . 6.000 4.273 4.079 4.454 . 0 0 "[ . 1 . ]" 1
102 1 86 GLY H 1 86 GLY HA2 2.300 . 3.000 2.226 2.212 2.242 . 0 0 "[ . 1 . ]" 1
103 1 14 GLU H 1 14 GLU HB2 2.900 . 4.000 2.956 2.852 3.128 . 0 0 "[ . 1 . ]" 1
104 1 33 VAL H 1 33 VAL HB 2.600 . 3.400 2.370 2.091 3.603 0.203 11 0 "[ . 1 . ]" 1
105 1 21 ILE QG 1 22 VAL H 3.800 . 5.600 4.530 4.427 4.825 . 0 0 "[ . 1 . ]" 1
106 1 21 ILE H 1 89 VAL H 3.300 . 4.600 3.629 3.341 3.931 . 0 0 "[ . 1 . ]" 1
107 1 35 PRO HB2 1 36 GLN H 3.000 . 4.100 2.775 2.566 3.413 . 0 0 "[ . 1 . ]" 1
108 1 61 PHE H 1 61 PHE HB3 2.500 . 6.000 3.466 3.328 3.690 . 0 0 "[ . 1 . ]" 1
109 1 78 LEU HB2 1 79 SER H 2.800 . 3.800 2.726 2.636 2.844 . 0 0 "[ . 1 . ]" 1
110 1 82 GLY H 1 83 MET H 2.700 . 3.600 2.351 2.307 2.400 . 0 0 "[ . 1 . ]" 1
111 1 77 PRO HB3 1 80 ALA H 2.900 . 3.900 3.628 3.437 3.820 . 0 0 "[ . 1 . ]" 1
112 1 13 MET H 1 14 GLU H 2.700 . 3.600 2.893 2.623 3.115 . 0 0 "[ . 1 . ]" 1
113 1 71 LEU QB 1 72 LYS H 3.100 . 4.300 2.951 2.774 3.182 . 0 0 "[ . 1 . ]" 1
114 1 32 LEU HA 1 33 VAL H 2.700 . 3.600 2.168 2.107 2.213 . 0 0 "[ . 1 . ]" 1
115 1 14 GLU H 1 15 THR H 2.500 . 3.300 2.147 1.992 2.329 . 0 0 "[ . 1 . ]" 1
116 1 47 LEU H 1 48 ALA H 2.700 . 3.600 2.715 2.665 2.763 . 0 0 "[ . 1 . ]" 1
117 1 76 THR H 1 76 THR HB 2.900 . 3.900 3.534 2.850 3.765 . 0 0 "[ . 1 . ]" 1
118 1 81 LEU H 1 82 GLY H 2.900 . 4.000 3.088 3.046 3.126 . 0 0 "[ . 1 . ]" 1
119 1 56 GLY H 1 57 VAL H 2.900 . 3.900 2.295 2.058 2.479 . 0 0 "[ . 1 . ]" 1
120 1 37 GLN HB2 1 41 GLU H 3.400 . 4.900 4.838 4.719 4.922 0.022 7 0 "[ . 1 . ]" 1
121 1 91 LEU HB2 1 93 GLY H 2.300 . 6.000 4.919 4.833 5.016 . 0 0 "[ . 1 . ]" 1
122 1 18 LEU H 1 33 VAL H 3.100 . 4.300 4.269 4.015 4.408 0.108 6 0 "[ . 1 . ]" 1
123 1 10 THR H 1 18 LEU HA 2.900 . 3.900 3.413 3.234 3.557 . 0 0 "[ . 1 . ]" 1
124 1 50 LEU H 1 51 VAL H 2.800 . 3.800 2.828 2.773 2.893 . 0 0 "[ . 1 . ]" 1
125 1 21 ILE H 1 21 ILE HA 2.800 . 3.800 2.936 2.918 2.956 . 0 0 "[ . 1 . ]" 1
126 1 51 VAL H 1 91 LEU HG 4.000 . 6.000 6.014 5.966 6.145 0.145 9 0 "[ . 1 . ]" 1
127 1 94 GLU H 1 94 GLU HB2 3.200 . 4.500 2.879 2.493 3.321 . 0 0 "[ . 1 . ]" 1
128 1 31 LEU QB 1 32 LEU H 3.600 . 5.200 3.075 3.015 3.160 . 0 0 "[ . 1 . ]" 1
129 1 38 GLY H 1 39 ASN H 2.900 . 3.900 1.884 1.691 2.111 0.209 10 0 "[ . 1 . ]" 1
130 1 43 VAL HA 1 78 LEU H 4.300 . 6.000 5.571 5.423 5.737 . 0 0 "[ . 1 . ]" 1
131 1 52 GLU HB2 1 53 GLU H 3.100 . 4.300 3.022 2.385 3.470 . 0 0 "[ . 1 . ]" 1
132 1 17 ARG H 1 17 ARG HB2 3.200 . 4.500 2.942 2.845 3.040 . 0 0 "[ . 1 . ]" 1
133 1 66 PHE H 1 69 LYS H 3.000 . 4.100 3.204 3.104 3.320 . 0 0 "[ . 1 . ]" 1
134 1 83 MET H 1 83 MET HG2 2.500 . 3.300 2.180 1.871 3.347 0.047 14 0 "[ . 1 . ]" 1
135 1 18 LEU H 1 18 LEU HA 2.800 . 3.800 2.942 2.934 2.948 . 0 0 "[ . 1 . ]" 1
136 1 36 GLN H 1 36 GLN QG 3.100 . 4.300 3.138 2.825 3.945 . 0 0 "[ . 1 . ]" 1
137 1 67 LYS HG3 1 68 GLY H 3.200 . 4.500 4.487 4.338 4.522 0.022 9 0 "[ . 1 . ]" 1
138 1 53 GLU H 1 54 ALA H 2.900 . 3.900 2.508 2.449 2.555 . 0 0 "[ . 1 . ]" 1
139 1 87 CYS HB2 1 88 ARG H 3.200 . 4.500 3.035 1.886 3.373 0.014 16 0 "[ . 1 . ]" 1
140 1 86 GLY H 1 87 CYS H 2.700 . 3.600 3.288 3.200 3.343 . 0 0 "[ . 1 . ]" 1
141 1 87 CYS H 1 87 CYS HA 2.800 . 3.800 2.259 2.213 2.277 . 0 0 "[ . 1 . ]" 1
142 1 27 GLU HB2 1 28 ARG H 3.900 . 5.800 4.327 3.945 4.489 . 0 0 "[ . 1 . ]" 1
143 1 92 ILE HB 1 93 GLY H 3.600 . 5.200 4.268 4.213 4.317 . 0 0 "[ . 1 . ]" 1
144 1 67 LYS HA 1 68 GLY H 3.000 . 4.100 2.818 2.764 2.856 . 0 0 "[ . 1 . ]" 1
145 1 49 GLN H 1 49 GLN HB2 3.000 . 4.100 2.560 2.492 2.658 . 0 0 "[ . 1 . ]" 1
146 1 67 LYS H 1 67 LYS HG2 2.800 . 3.800 3.419 3.249 3.618 . 0 0 "[ . 1 . ]" 1
147 1 42 PRO HA 1 43 VAL H 2.700 . 3.600 2.388 2.346 2.417 . 0 0 "[ . 1 . ]" 1
148 1 45 GLN H 1 45 GLN HB2 2.700 . 3.600 2.518 2.356 2.953 . 0 0 "[ . 1 . ]" 1
149 1 27 GLU QG 1 28 ARG H 3.100 . 4.300 3.195 2.414 4.031 . 0 0 "[ . 1 . ]" 1
150 1 37 GLN QG 1 38 GLY H 3.700 . 5.400 3.919 3.342 4.875 . 0 0 "[ . 1 . ]" 1
151 1 52 GLU H 1 53 GLU H 2.900 . 3.900 2.606 2.574 2.639 . 0 0 "[ . 1 . ]" 1
152 1 91 LEU HB2 1 92 ILE H 3.000 . 4.100 3.185 3.115 3.244 . 0 0 "[ . 1 . ]" 1
153 1 77 PRO HA 1 78 LEU H 2.800 . 3.800 2.057 2.019 2.090 . 0 0 "[ . 1 . ]" 1
154 1 23 THR H 1 90 MET HA 2.700 . 3.600 2.187 2.018 2.348 . 0 0 "[ . 1 . ]" 1
155 1 39 ASN QB 1 41 GLU H 2.400 . 6.000 4.970 4.690 5.239 . 0 0 "[ . 1 . ]" 1
156 1 39 ASN QB 1 40 SER H 3.100 . 4.300 3.527 3.374 3.705 . 0 0 "[ . 1 . ]" 1
157 1 50 LEU H 1 50 LEU HB2 2.700 . 3.600 2.450 2.403 2.506 . 0 0 "[ . 1 . ]" 1
158 1 17 ARG HB3 1 18 LEU H 3.400 . 4.800 4.385 4.240 4.428 . 0 0 "[ . 1 . ]" 1
159 1 79 SER H 1 79 SER HA 3.000 . 4.200 2.791 2.773 2.808 . 0 0 "[ . 1 . ]" 1
160 1 67 LYS HG3 1 69 LYS H 2.900 . 4.000 3.239 2.908 3.339 . 0 0 "[ . 1 . ]" 1
161 1 51 VAL H 1 52 GLU H 2.900 . 3.900 2.610 2.550 2.686 . 0 0 "[ . 1 . ]" 1
162 1 43 VAL H 1 46 ASP HB3 3.100 . 4.300 3.356 2.900 3.618 . 0 0 "[ . 1 . ]" 1
163 1 40 SER HA 1 41 GLU H 3.300 . 4.700 3.430 3.316 3.548 . 0 0 "[ . 1 . ]" 1
164 1 79 SER H 1 80 ALA H 3.100 . 4.300 2.668 2.603 2.719 . 0 0 "[ . 1 . ]" 1
165 1 69 LYS H 1 69 LYS QG 3.000 . 4.100 2.843 2.341 3.895 . 0 0 "[ . 1 . ]" 1
166 1 40 SER H 1 41 GLU H 3.000 . 4.100 2.293 2.168 2.397 . 0 0 "[ . 1 . ]" 1
167 1 45 GLN H 1 45 GLN HA 3.000 . 4.200 2.824 2.799 2.841 . 0 0 "[ . 1 . ]" 1
168 1 19 SER H 1 85 ASN QB 2.700 . 3.600 1.771 1.683 1.836 0.117 4 0 "[ . 1 . ]" 1
169 1 94 GLU HB3 1 95 LYS H 3.800 . 5.600 3.861 3.124 4.334 . 0 0 "[ . 1 . ]" 1
170 1 49 GLN H 1 50 LEU H 3.000 . 4.100 2.637 2.549 2.684 . 0 0 "[ . 1 . ]" 1
171 1 24 HIS H 1 24 HIS HB3 2.800 . 3.800 2.576 2.476 2.657 . 0 0 "[ . 1 . ]" 1
172 1 61 PHE H 1 62 GLN HB3 3.600 . 5.200 5.009 4.567 5.233 0.033 15 0 "[ . 1 . ]" 1
173 1 61 PHE H 1 61 PHE HB2 4.000 . 6.000 2.207 2.139 2.489 . 0 0 "[ . 1 . ]" 1
174 1 95 LYS H 1 95 LYS HA 3.000 . 4.200 2.917 2.881 2.940 . 0 0 "[ . 1 . ]" 1
175 1 52 GLU H 1 62 GLN HE22 4.200 . 6.000 4.297 4.064 4.871 . 0 0 "[ . 1 . ]" 1
176 1 54 ALA H 1 55 THR H 3.100 . 4.300 2.888 2.720 3.024 . 0 0 "[ . 1 . ]" 1
177 1 84 GLN H 1 84 GLN HB2 3.200 . 4.500 2.565 2.460 2.884 . 0 0 "[ . 1 . ]" 1
178 1 64 LEU H 1 71 LEU QB 3.900 . 4.300 2.894 2.674 3.175 . 0 0 "[ . 1 . ]" 1
179 1 46 ASP HA 1 49 GLN H 3.400 . 4.900 3.248 3.101 3.368 . 0 0 "[ . 1 . ]" 1
180 1 83 MET H 1 83 MET HB3 3.100 . 4.300 2.776 2.597 3.641 . 0 0 "[ . 1 . ]" 1
181 1 86 GLY H 1 86 GLY HA3 2.900 . 4.000 2.761 2.753 2.769 . 0 0 "[ . 1 . ]" 1
182 1 19 SER QB 1 20 VAL H 3.800 . 5.600 3.648 3.381 3.721 . 0 0 "[ . 1 . ]" 1
183 1 68 GLY H 1 69 LYS H 3.100 . 4.300 2.564 2.528 2.600 . 0 0 "[ . 1 . ]" 1
184 1 82 GLY H 1 83 MET HB3 4.000 . 6.000 4.801 4.600 6.001 0.001 14 0 "[ . 1 . ]" 1
185 1 61 PHE HA 1 96 SER H 2.400 . 6.000 6.005 5.881 6.061 0.061 6 0 "[ . 1 . ]" 1
186 1 29 TYR QB 1 30 ASP H 3.600 . 5.200 3.222 2.992 3.720 . 0 0 "[ . 1 . ]" 1
187 1 26 ASN H 1 26 ASN QB 3.500 . 5.000 3.043 2.854 3.436 . 0 0 "[ . 1 . ]" 1
188 1 65 ILE H 1 65 ILE HG13 2.900 . 3.900 3.150 2.631 4.063 0.163 3 0 "[ . 1 . ]" 1
189 1 18 LEU HB2 1 19 SER H 3.800 . 5.600 4.422 4.339 4.495 . 0 0 "[ . 1 . ]" 1
190 1 48 ALA H 1 49 GLN H 3.000 . 4.100 2.441 2.397 2.561 . 0 0 "[ . 1 . ]" 1
191 1 34 THR H 1 34 THR HA 3.000 . 4.100 2.883 2.876 2.888 . 0 0 "[ . 1 . ]" 1
192 1 96 SER H 1 96 SER QB 3.200 . 4.500 2.461 2.230 2.641 . 0 0 "[ . 1 . ]" 1
193 1 46 ASP HB3 1 47 LEU H 3.100 . 4.300 2.720 2.596 2.910 . 0 0 "[ . 1 . ]" 1
194 1 45 GLN H 1 81 LEU HG 3.400 . 4.800 4.824 4.714 4.876 0.076 2 0 "[ . 1 . ]" 1
195 1 51 VAL H 1 51 VAL HA 2.900 . 4.000 2.837 2.819 2.848 . 0 0 "[ . 1 . ]" 1
196 1 92 ILE H 1 92 ILE HB 3.200 . 4.400 2.634 2.578 2.721 . 0 0 "[ . 1 . ]" 1
197 1 69 LYS QG 1 70 SER H 4.000 . 6.000 3.975 3.611 4.358 . 0 0 "[ . 1 . ]" 1
198 1 75 GLU QB 1 76 THR H 2.800 . 3.800 1.910 1.683 2.574 0.117 1 0 "[ . 1 . ]" 1
199 1 36 GLN H 1 36 GLN HA 2.900 . 4.000 2.283 2.231 2.651 . 0 0 "[ . 1 . ]" 1
200 1 84 GLN H 1 87 CYS HB3 3.700 . 5.400 4.994 3.707 5.453 0.053 14 0 "[ . 1 . ]" 1
201 1 23 THR HB 1 24 HIS H 3.800 . 5.700 4.030 3.711 4.374 . 0 0 "[ . 1 . ]" 1
202 1 78 LEU H 1 81 LEU HB2 3.900 . 5.800 4.594 4.469 4.825 . 0 0 "[ . 1 . ]" 1
203 1 83 MET HB3 1 84 GLN H 4.400 . 6.000 4.439 4.116 4.513 . 0 0 "[ . 1 . ]" 1
204 1 89 VAL H 1 89 VAL HA 2.800 . 3.800 2.903 2.896 2.912 . 0 0 "[ . 1 . ]" 1
205 1 37 GLN H 1 38 GLY H 3.000 . 4.100 2.663 1.830 3.307 0.070 15 0 "[ . 1 . ]" 1
206 1 55 THR H 1 91 LEU HG 3.300 . 6.000 6.042 6.001 6.092 0.092 9 0 "[ . 1 . ]" 1
207 1 55 THR H 1 57 VAL H 3.500 . 5.000 3.282 3.008 3.496 . 0 0 "[ . 1 . ]" 1
208 1 85 ASN QB 1 86 GLY H 3.800 . 5.600 3.523 3.480 3.557 . 0 0 "[ . 1 . ]" 1
209 1 44 VAL H 1 44 VAL HA 2.800 . 3.800 2.773 2.761 2.793 . 0 0 "[ . 1 . ]" 1
210 1 21 ILE H 1 21 ILE QG 2.700 . 3.600 1.827 1.690 2.098 0.310 12 0 "[ . 1 . ]" 1
211 1 84 GLN H 1 84 GLN HB3 3.400 . 4.800 3.760 3.640 4.040 . 0 0 "[ . 1 . ]" 1
212 1 13 MET H 1 13 MET HG3 3.100 . 4.300 2.660 1.891 3.752 0.009 4 0 "[ . 1 . ]" 1
213 1 78 LEU H 1 79 SER H 3.100 . 4.300 2.697 2.590 2.780 . 0 0 "[ . 1 . ]" 1
214 1 87 CYS H 1 87 CYS HB3 3.500 . 5.100 3.574 3.025 3.755 . 0 0 "[ . 1 . ]" 1
215 1 91 LEU HG 1 93 GLY H 4.100 . 6.000 6.029 5.999 6.080 0.080 9 0 "[ . 1 . ]" 1
216 1 70 SER QB 1 71 LEU H 3.700 . 5.400 3.225 2.722 3.540 . 0 0 "[ . 1 . ]" 1
217 1 25 SER HA 1 26 ASN H 3.500 . 5.000 3.463 2.486 3.551 . 0 0 "[ . 1 . ]" 1
218 1 77 PRO HB2 1 78 LEU H 3.500 . 5.000 3.961 3.735 4.106 . 0 0 "[ . 1 . ]" 1
219 1 24 HIS H 1 24 HIS HB2 3.700 . 5.400 3.425 3.166 3.715 . 0 0 "[ . 1 . ]" 1
220 1 68 GLY HA3 1 69 LYS H 3.500 . 5.000 3.341 3.311 3.375 . 0 0 "[ . 1 . ]" 1
221 1 47 LEU QB 1 76 THR H 4.100 . 6.000 5.256 4.848 5.729 . 0 0 "[ . 1 . ]" 1
222 1 34 THR HB 1 45 GLN H 4.600 . 6.000 5.508 5.124 5.991 . 0 0 "[ . 1 . ]" 1
223 1 21 ILE H 1 88 ARG HA 2.900 . 3.900 2.242 1.987 2.491 . 0 0 "[ . 1 . ]" 1
224 1 38 GLY HA2 1 39 ASN H 3.500 . 5.100 3.015 2.819 3.455 . 0 0 "[ . 1 . ]" 1
225 1 40 SER H 1 42 PRO HA 4.000 . 6.000 6.050 5.966 6.094 0.094 1 0 "[ . 1 . ]" 1
226 1 23 THR H 1 23 THR HB 3.400 . 4.800 2.929 2.493 3.406 . 0 0 "[ . 1 . ]" 1
227 1 87 CYS H 1 87 CYS HB2 3.500 . 5.000 3.313 3.091 3.967 . 0 0 "[ . 1 . ]" 1
228 1 25 SER HB2 1 26 ASN H 4.000 . 6.000 3.508 2.270 4.653 . 0 0 "[ . 1 . ]" 1
229 1 78 LEU H 1 81 LEU HG 4.200 . 6.000 5.846 5.745 6.007 0.007 11 0 "[ . 1 . ]" 1
230 1 49 GLN H 1 49 GLN HG3 4.300 . 6.000 4.347 4.272 4.399 . 0 0 "[ . 1 . ]" 1
231 1 65 ILE H 1 90 MET QB 3.800 . 5.600 4.797 4.639 4.920 . 0 0 "[ . 1 . ]" 1
232 1 60 PRO HG2 1 61 PHE H 3.900 . 5.800 4.290 3.794 4.452 . 0 0 "[ . 1 . ]" 1
233 1 77 PRO HB2 1 80 ALA H 3.900 . 5.800 2.977 2.709 3.249 . 0 0 "[ . 1 . ]" 1
234 1 45 GLN H 1 46 ASP H 3.200 . 4.500 2.583 2.541 2.637 . 0 0 "[ . 1 . ]" 1
235 1 22 VAL H 1 29 TYR QB 3.800 . 5.600 4.358 4.021 4.673 . 0 0 "[ . 1 . ]" 1
236 1 65 ILE HA 1 69 LYS H 4.100 . 6.000 4.702 4.597 4.806 . 0 0 "[ . 1 . ]" 1
237 1 82 GLY HA2 1 83 MET H 3.300 . 4.600 2.966 2.925 2.986 . 0 0 "[ . 1 . ]" 1
238 1 93 GLY H 1 94 GLU H 3.700 . 5.400 3.539 3.260 4.003 . 0 0 "[ . 1 . ]" 1
239 1 39 ASN H 1 40 SER H 3.400 . 4.900 3.284 1.869 3.506 0.031 5 0 "[ . 1 . ]" 1
240 1 83 MET HB2 1 84 GLN H 4.300 . 6.000 4.109 4.068 4.376 . 0 0 "[ . 1 . ]" 1
241 1 60 PRO QD 1 61 PHE H 3.000 . 4.100 2.547 2.452 2.753 . 0 0 "[ . 1 . ]" 1
242 1 79 SER QB 1 80 ALA H 3.600 . 5.200 2.642 2.558 3.299 . 0 0 "[ . 1 . ]" 1
243 1 91 LEU H 1 91 LEU HG 3.900 . 5.800 3.738 3.656 3.834 . 0 0 "[ . 1 . ]" 1
244 1 94 GLU H 1 94 GLU HB3 3.500 . 5.000 3.379 2.829 3.795 . 0 0 "[ . 1 . ]" 1
245 1 67 LYS H 1 68 GLY H 3.100 . 4.300 2.536 2.471 2.641 . 0 0 "[ . 1 . ]" 1
246 1 44 VAL H 1 45 GLN H 3.200 . 4.500 2.684 2.615 2.741 . 0 0 "[ . 1 . ]" 1
247 1 90 MET QB 1 91 LEU H 3.500 . 5.100 3.032 2.920 3.241 . 0 0 "[ . 1 . ]" 1
248 1 66 PHE H 1 67 LYS H 3.900 . 5.800 4.234 4.206 4.256 . 0 0 "[ . 1 . ]" 1
249 1 32 LEU HB3 1 33 VAL H 4.400 . 6.000 4.270 4.227 4.320 . 0 0 "[ . 1 . ]" 1
250 1 82 GLY H 1 83 MET HG2 4.200 . 6.000 3.977 3.628 5.379 . 0 0 "[ . 1 . ]" 1
251 1 49 GLN H 1 49 GLN HG2 4.800 . 6.000 4.510 4.464 4.566 . 0 0 "[ . 1 . ]" 1
252 1 21 ILE HB 1 22 VAL H 4.100 . 6.000 4.150 3.717 4.274 . 0 0 "[ . 1 . ]" 1
253 1 16 PRO HB3 1 17 ARG H 4.100 . 6.000 4.582 4.505 4.631 . 0 0 "[ . 1 . ]" 1
254 1 77 PRO HB2 1 79 SER H 3.600 . 5.200 4.166 3.883 4.373 . 0 0 "[ . 1 . ]" 1
255 1 43 VAL H 1 46 ASP H 4.400 . 6.000 3.791 3.616 3.915 . 0 0 "[ . 1 . ]" 1
256 1 94 GLU H 1 94 GLU QG 4.100 . 6.000 3.669 2.778 4.353 . 0 0 "[ . 1 . ]" 1
257 1 84 GLN H 1 87 CYS HB2 3.600 . 5.300 4.108 3.582 5.471 0.171 16 0 "[ . 1 . ]" 1
258 1 77 PRO HB3 1 79 SER H 3.900 . 5.800 3.630 3.376 3.866 . 0 0 "[ . 1 . ]" 1
259 1 30 ASP QB 1 31 LEU H 4.200 . 6.000 3.366 2.978 3.826 . 0 0 "[ . 1 . ]" 1
260 1 78 LEU HG 1 79 SER H 4.300 . 6.000 4.912 4.827 4.973 . 0 0 "[ . 1 . ]" 1
261 1 37 GLN HB2 1 38 GLY H 4.100 . 6.000 2.933 2.495 3.716 . 0 0 "[ . 1 . ]" 1
262 1 60 PRO HB2 1 61 PHE H 3.400 . 4.900 3.248 2.974 3.789 . 0 0 "[ . 1 . ]" 1
263 1 46 ASP HB2 1 47 LEU H 4.400 . 6.000 4.035 3.970 4.148 . 0 0 "[ . 1 . ]" 1
264 1 79 SER HA 1 83 MET H 3.800 . 5.600 5.466 5.300 5.642 0.042 5 0 "[ . 1 . ]" 1
265 1 95 LYS HG2 1 96 SER H 4.300 . 6.000 4.766 4.587 5.060 . 0 0 "[ . 1 . ]" 1
266 1 78 LEU HA 1 81 LEU H 4.100 . 6.000 3.342 3.233 3.412 . 0 0 "[ . 1 . ]" 1
267 1 44 VAL HA 1 47 LEU H 4.000 . 6.000 4.452 4.187 4.750 . 0 0 "[ . 1 . ]" 1
268 1 18 LEU HG 1 85 ASN H 3.900 . 5.800 3.637 3.356 3.894 . 0 0 "[ . 1 . ]" 1
269 1 38 GLY H 1 42 PRO HA 4.800 . 6.000 4.676 4.038 5.835 . 0 0 "[ . 1 . ]" 1
270 1 22 VAL H 1 28 ARG QB 4.500 . 6.000 5.013 3.203 5.423 . 0 0 "[ . 1 . ]" 1
271 1 11 GLU H 1 11 GLU HB3 3.600 . 5.200 2.583 2.416 2.670 . 0 0 "[ . 1 . ]" 1
272 1 78 LEU HG 1 81 LEU H 4.800 . 6.000 5.696 5.653 5.767 . 0 0 "[ . 1 . ]" 1
273 1 45 GLN HA 1 46 ASP H 3.800 . 5.600 3.477 3.454 3.508 . 0 0 "[ . 1 . ]" 1
274 1 52 GLU H 1 62 GLN HE21 5.000 . 6.000 4.867 4.624 5.844 . 0 0 "[ . 1 . ]" 1
275 1 24 HIS H 1 27 GLU HB3 3.700 . 5.400 2.631 2.309 2.917 . 0 0 "[ . 1 . ]" 1
276 1 70 SER H 1 71 LEU H 4.200 . 6.000 4.453 4.433 4.477 . 0 0 "[ . 1 . ]" 1
277 1 19 SER H 1 86 GLY H 3.700 . 5.400 3.419 3.025 3.687 . 0 0 "[ . 1 . ]" 1
278 1 51 VAL HA 1 54 ALA H 3.800 . 5.600 3.892 3.812 3.948 . 0 0 "[ . 1 . ]" 1
279 1 23 THR H 1 91 LEU H 4.200 . 6.000 3.530 3.313 3.774 . 0 0 "[ . 1 . ]" 1
280 1 36 GLN H 1 39 ASN QB 4.800 . 6.000 4.808 4.486 5.199 . 0 0 "[ . 1 . ]" 1
281 1 50 LEU HA 1 51 VAL H 3.700 . 5.400 3.549 3.531 3.577 . 0 0 "[ . 1 . ]" 1
282 1 88 ARG H 1 88 ARG QD 3.700 . 5.400 2.272 2.041 2.588 . 0 0 "[ . 1 . ]" 1
283 1 7 MET H 1 7 MET QG 4.100 . 6.000 3.049 2.811 3.475 . 0 0 "[ . 1 . ]" 1
284 1 49 GLN HA 1 53 GLU H 4.000 . 6.000 3.705 3.562 3.943 . 0 0 "[ . 1 . ]" 1
285 1 37 GLN HB2 1 39 ASN H 4.000 . 6.000 3.693 3.308 4.335 . 0 0 "[ . 1 . ]" 1
286 1 9 GLN HB3 1 10 THR H 3.700 . 5.400 3.048 2.731 3.519 . 0 0 "[ . 1 . ]" 1
287 1 86 GLY HA3 1 87 CYS H 3.700 . 5.400 3.083 3.073 3.110 . 0 0 "[ . 1 . ]" 1
288 1 31 LEU QB 1 53 GLU H 4.900 . 6.000 5.332 5.260 5.363 . 0 0 "[ . 1 . ]" 1
289 1 25 SER H 1 25 SER HB2 4.100 . 6.000 3.289 2.929 3.615 . 0 0 "[ . 1 . ]" 1
290 1 65 ILE H 1 92 ILE H 4.800 . 6.000 3.971 3.735 4.128 . 0 0 "[ . 1 . ]" 1
291 1 9 GLN H 1 9 GLN QG 4.200 . 6.000 3.273 3.016 3.929 . 0 0 "[ . 1 . ]" 1
292 1 51 VAL HA 1 52 GLU H 3.800 . 5.600 3.530 3.512 3.567 . 0 0 "[ . 1 . ]" 1
293 1 31 LEU HG 1 32 LEU H 5.500 . 6.000 4.316 4.223 4.458 . 0 0 "[ . 1 . ]" 1
294 1 80 ALA H 1 81 LEU HB2 4.700 . 6.000 4.124 4.056 4.195 . 0 0 "[ . 1 . ]" 1
295 1 87 CYS H 1 88 ARG H 4.800 . 6.000 4.614 4.598 4.634 . 0 0 "[ . 1 . ]" 1
296 1 14 GLU H 1 35 PRO HA 5.200 . 6.000 4.286 3.882 4.505 . 0 0 "[ . 1 . ]" 1
297 1 18 LEU HG 1 19 SER H 5.100 . 6.000 3.721 3.450 3.920 . 0 0 "[ . 1 . ]" 1
298 1 22 VAL H 1 31 LEU HG 5.400 . 6.000 5.990 5.800 6.050 0.050 8 0 "[ . 1 . ]" 1
299 1 44 VAL H 1 46 ASP H 4.400 . 6.000 4.204 4.136 4.281 . 0 0 "[ . 1 . ]" 1
300 1 80 ALA H 1 83 MET H 4.900 . 6.000 5.965 5.806 6.085 0.085 7 0 "[ . 1 . ]" 1
301 1 18 LEU HB2 1 33 VAL H 4.400 . 6.000 3.614 3.384 4.238 . 0 0 "[ . 1 . ]" 1
302 1 94 GLU QG 1 95 LYS H 4.700 . 6.000 3.795 2.679 4.815 . 0 0 "[ . 1 . ]" 1
303 1 67 LYS HB2 1 69 LYS H 4.500 . 6.000 3.754 3.550 3.904 . 0 0 "[ . 1 . ]" 1
304 1 45 GLN H 1 78 LEU HG 5.500 . 6.000 4.841 4.687 5.063 . 0 0 "[ . 1 . ]" 1
305 1 77 PRO HA 1 79 SER H 5.300 . 6.000 4.071 3.903 4.244 . 0 0 "[ . 1 . ]" 1
306 1 67 LYS QD 1 82 GLY H 4.500 . 6.000 3.267 3.130 3.448 . 0 0 "[ . 1 . ]" 1
307 1 37 GLN HB2 1 43 VAL H 4.700 . 6.000 3.498 3.201 3.830 . 0 0 "[ . 1 . ]" 1
308 1 46 ASP H 1 48 ALA H 4.500 . 6.000 4.432 4.274 4.540 . 0 0 "[ . 1 . ]" 1
309 1 24 HIS HB2 1 25 SER H 5.600 . 6.000 4.279 3.937 4.369 . 0 0 "[ . 1 . ]" 1
310 1 43 VAL H 1 78 LEU HG 5.500 . 6.000 5.081 4.766 5.361 . 0 0 "[ . 1 . ]" 1
311 1 44 VAL HA 1 45 GLN H 4.300 . 6.000 3.431 3.404 3.453 . 0 0 "[ . 1 . ]" 1
312 1 85 ASN H 1 86 GLY H 5.400 . 6.000 4.275 4.242 4.298 . 0 0 "[ . 1 . ]" 1
313 1 75 GLU QG 1 76 THR H 5.400 . 6.000 2.333 1.855 3.602 . 0 0 "[ . 1 . ]" 1
314 1 74 MET HG2 1 75 GLU H 5.900 . 6.000 4.905 3.948 5.236 . 0 0 "[ . 1 . ]" 1
315 1 48 ALA H 1 50 LEU HG 6.000 . 6.000 5.412 5.218 5.558 . 0 0 "[ . 1 . ]" 1
316 1 47 LEU H 1 50 LEU HG 5.300 . 6.000 4.739 4.565 4.887 . 0 0 "[ . 1 . ]" 1
317 1 51 VAL H 1 53 GLU QB 5.800 . 6.000 5.248 5.123 5.399 . 0 0 "[ . 1 . ]" 1
318 1 21 ILE H 1 87 CYS H 6.000 . 6.000 5.011 4.914 5.114 . 0 0 "[ . 1 . ]" 1
319 1 10 THR H 1 17 ARG QG 5.700 . 6.000 2.974 2.587 3.849 . 0 0 "[ . 1 . ]" 1
320 1 34 THR HB 1 46 ASP H 6.000 . 6.000 4.119 3.916 4.492 . 0 0 "[ . 1 . ]" 1
321 1 13 MET HG2 1 14 GLU H 6.000 . 6.000 4.911 4.366 5.202 . 0 0 "[ . 1 . ]" 1
322 1 36 GLN HA 1 37 GLN H 1.600 . 6.000 2.796 2.196 3.473 . 0 0 "[ . 1 . ]" 1
323 1 16 PRO HD2 1 16 PRO QG 1.600 . 2.200 2.190 2.178 2.211 0.011 4 0 "[ . 1 . ]" 1
324 1 69 LYS HA 1 70 SER QB 2.100 . 6.000 4.119 3.918 4.513 . 0 0 "[ . 1 . ]" 1
325 1 69 LYS QD 1 69 LYS QE 1.600 . 2.200 1.996 1.964 2.018 . 0 0 "[ . 1 . ]" 1
326 1 58 PRO QG 1 60 PRO QD 2.600 . 3.100 2.610 2.321 2.799 . 0 0 "[ . 1 . ]" 1
327 1 58 PRO QD 1 58 PRO QG 1.800 . 2.200 1.984 1.976 1.997 . 0 0 "[ . 1 . ]" 1
328 1 43 VAL HB 1 81 LEU HG 2.000 . 6.000 5.192 5.098 5.285 . 0 0 "[ . 1 . ]" 1
329 1 6 GLU HB2 1 7 MET H 1.500 . 2.200 2.006 1.507 2.443 0.243 5 0 "[ . 1 . ]" 1
330 1 67 LYS HB3 1 67 LYS QE 2.400 . 6.000 4.083 4.057 4.109 . 0 0 "[ . 1 . ]" 1
331 1 62 GLN HB2 1 91 LEU HG 1.500 . 2.200 2.136 1.747 2.238 0.038 3 0 "[ . 1 . ]" 1
332 1 28 ARG QD 1 28 ARG QG 1.900 . 2.400 2.017 1.967 2.097 . 0 0 "[ . 1 . ]" 1
333 1 58 PRO HB2 1 60 PRO QD 2.100 . 2.700 1.671 1.609 1.790 0.091 9 0 "[ . 1 . ]" 1
334 1 27 GLU HA 1 27 GLU QG 2.100 . 2.600 2.539 2.416 2.650 0.050 7 0 "[ . 1 . ]" 1
335 1 61 PHE HA 1 62 GLN HB3 2.200 . 6.000 5.518 5.313 5.605 . 0 0 "[ . 1 . ]" 1
336 1 68 GLY H 1 68 GLY HA2 2.300 . 2.900 2.283 2.272 2.300 . 0 0 "[ . 1 . ]" 1
337 1 69 LYS QE 1 69 LYS QG 2.200 . 2.800 2.405 2.200 2.703 . 0 0 "[ . 1 . ]" 1
338 1 58 PRO HB3 1 60 PRO QD 3.000 . 4.100 3.286 3.215 3.383 . 0 0 "[ . 1 . ]" 1
339 1 45 GLN HA 1 45 GLN QG 2.100 . 2.600 2.519 2.399 2.747 0.147 10 0 "[ . 1 . ]" 1
340 1 19 SER QB 1 85 ASN QB 2.400 . 3.100 3.237 3.163 3.335 0.235 4 0 "[ . 1 . ]" 1
341 1 52 GLU HA 1 64 LEU QB 2.800 . 6.000 5.745 5.673 5.804 . 0 0 "[ . 1 . ]" 1
342 1 52 GLU HA 1 91 LEU HG 2.200 . 6.000 4.776 4.659 4.902 . 0 0 "[ . 1 . ]" 1
343 1 89 VAL HA 1 90 MET H 1.700 . 2.200 2.184 2.166 2.209 0.009 13 0 "[ . 1 . ]" 1
344 1 67 LYS QE 1 67 LYS HG3 1.900 . 2.400 2.461 2.424 2.504 0.104 5 0 "[ . 1 . ]" 1
345 1 49 GLN HB3 1 49 GLN HG2 1.800 . 2.200 2.263 2.220 2.314 0.114 3 0 "[ . 1 . ]" 1
346 1 60 PRO HG2 1 61 PHE HA 2.300 . 6.000 5.967 5.174 6.034 0.034 8 0 "[ . 1 . ]" 1
347 1 92 ILE HA 1 93 GLY H 2.000 . 2.500 2.033 2.000 2.115 . 0 0 "[ . 1 . ]" 1
348 1 21 ILE QG 1 30 ASP HA 2.200 . 6.000 5.080 4.916 5.224 . 0 0 "[ . 1 . ]" 1
349 1 69 LYS HA 1 69 LYS QG 2.000 . 2.500 2.437 2.209 2.616 0.116 15 0 "[ . 1 . ]" 1
350 1 11 GLU H 1 11 GLU HB2 2.000 . 2.500 2.578 2.334 2.953 0.453 14 0 "[ . 1 . ]" 1
351 1 17 ARG HB3 1 17 ARG QD 2.000 . 2.500 2.532 2.319 3.486 0.986 14 1 "[ . 1 +. ]" 1
352 1 59 LEU QB 1 60 PRO QD . . 2.400 2.103 1.955 2.432 0.045 15 0 "[ . 1 . ]" 1
353 1 14 GLU HB2 1 36 GLN H 2.400 . 3.100 2.728 2.246 3.065 . 0 0 "[ . 1 . ]" 1
354 1 52 GLU HB3 1 58 PRO HA 2.600 . 6.000 5.787 4.375 6.048 0.048 13 0 "[ . 1 . ]" 1
355 1 47 LEU HA 1 50 LEU HG 2.100 . 6.000 3.591 3.249 3.791 . 0 0 "[ . 1 . ]" 1
356 1 65 ILE HA 1 66 PHE QB 2.300 . 6.000 4.394 4.375 4.412 . 0 0 "[ . 1 . ]" 1
357 1 21 ILE HA 1 21 ILE QG 2.100 . 6.000 2.713 2.547 3.111 . 0 0 "[ . 1 . ]" 1
358 1 83 MET HA 1 83 MET HB2 2.100 . 2.700 2.535 2.453 3.028 0.328 14 0 "[ . 1 . ]" 1
359 1 68 GLY HA2 1 69 LYS H 2.300 . 3.000 3.051 3.023 3.076 0.076 3 0 "[ . 1 . ]" 1
360 1 16 PRO HD3 1 16 PRO QG 1.900 . 2.400 2.184 2.177 2.202 . 0 0 "[ . 1 . ]" 1
361 1 66 PHE QB 1 70 SER HA 2.400 . 6.000 5.776 5.680 5.896 . 0 0 "[ . 1 . ]" 1
362 1 92 ILE HA 1 92 ILE HG12 2.300 . 2.900 2.565 2.504 2.624 . 0 0 "[ . 1 . ]" 1
363 1 95 LYS H 1 95 LYS HB3 2.600 . 3.500 3.517 3.425 3.581 0.081 8 0 "[ . 1 . ]" 1
364 1 20 VAL HA 1 20 VAL HB 2.000 . 2.500 2.455 2.231 2.515 0.015 8 0 "[ . 1 . ]" 1
365 1 8 VAL HA 1 10 THR H 2.700 . 6.000 4.597 4.153 4.825 . 0 0 "[ . 1 . ]" 1
366 1 78 LEU HB2 1 78 LEU HG 2.200 . 2.800 2.971 2.964 2.978 0.178 7 0 "[ . 1 . ]" 1
367 1 11 GLU QG 1 12 GLU H 2.100 . 2.600 2.178 1.819 2.438 . 0 0 "[ . 1 . ]" 1
368 1 43 VAL HA 1 43 VAL HB 1.900 . 2.400 2.451 2.433 2.478 0.078 6 0 "[ . 1 . ]" 1
369 1 85 ASN HA 1 86 GLY H 1.800 . 2.200 2.106 2.061 2.150 . 0 0 "[ . 1 . ]" 1
370 1 6 GLU QG 1 19 SER H 2.800 . 6.000 6.133 6.069 6.204 0.204 16 0 "[ . 1 . ]" 1
371 1 21 ILE HA 1 28 ARG QD 2.200 . 2.800 2.789 2.300 2.924 0.124 10 0 "[ . 1 . ]" 1
372 1 70 SER HA 1 70 SER QB 2.200 . 2.800 2.338 2.198 2.453 . 0 0 "[ . 1 . ]" 1
373 1 44 VAL H 1 74 MET QB 3.800 . 5.600 5.415 4.692 5.704 0.104 4 0 "[ . 1 . ]" 1
374 1 46 ASP HA 1 50 LEU HB2 2.600 . 6.000 5.550 5.419 5.717 . 0 0 "[ . 1 . ]" 1
375 1 49 GLN HA 1 71 LEU QB 2.500 . 6.000 5.813 5.770 5.875 . 0 0 "[ . 1 . ]" 1
376 1 52 GLU HA 1 57 VAL HB 2.300 . 6.000 4.490 2.860 5.528 . 0 0 "[ . 1 . ]" 1
377 1 7 MET H 1 7 MET QB 2.200 . 6.000 3.098 2.961 3.193 . 0 0 "[ . 1 . ]" 1
378 1 14 GLU H 1 35 PRO HB3 2.000 . 2.500 2.471 2.148 2.613 0.113 1 0 "[ . 1 . ]" 1
379 1 42 PRO QB 1 81 LEU H 3.100 . 6.000 4.993 4.869 5.161 . 0 0 "[ . 1 . ]" 1
380 1 49 GLN HB2 1 50 LEU H 2.700 . 3.600 3.717 3.702 3.739 0.139 3 0 "[ . 1 . ]" 1
381 1 16 PRO HB3 1 39 ASN QB 2.100 . 2.600 2.645 2.315 2.733 0.133 10 0 "[ . 1 . ]" 1
382 1 3 LYS QG 1 4 THR H 2.200 . 2.800 2.787 1.596 2.906 0.106 10 0 "[ . 1 . ]" 1
383 1 60 PRO HA 1 60 PRO HG2 2.900 . 3.900 3.966 3.951 3.976 0.076 9 0 "[ . 1 . ]" 1
384 1 91 LEU HA 1 92 ILE HB 2.800 . 6.000 4.658 4.565 4.734 . 0 0 "[ . 1 . ]" 1
385 1 22 VAL HB 1 95 LYS QG 2.700 . 6.000 6.035 5.859 6.117 0.117 8 0 "[ . 1 . ]" 1
386 1 14 GLU QG 1 39 ASN HB3 2.100 . 2.700 2.494 1.941 2.804 0.104 15 0 "[ . 1 . ]" 1
387 1 13 MET HA 1 13 MET HG3 2.600 . 3.500 3.229 2.871 3.731 0.231 12 0 "[ . 1 . ]" 1
388 1 49 GLN HG3 1 50 LEU H 2.400 . 6.000 3.468 3.189 3.703 . 0 0 "[ . 1 . ]" 1
389 1 37 GLN HB2 1 46 ASP HB2 2.800 . 6.000 5.905 5.553 6.119 0.119 9 0 "[ . 1 . ]" 1
390 1 93 GLY H 1 93 GLY HA3 2.300 . 3.000 2.858 2.827 2.881 . 0 0 "[ . 1 . ]" 1
391 1 10 THR HA 1 17 ARG QG 2.500 . 3.300 3.098 2.928 3.268 . 0 0 "[ . 1 . ]" 1
392 1 63 LYS H 1 92 ILE HA 2.500 . 6.000 4.577 4.394 4.832 . 0 0 "[ . 1 . ]" 1
393 1 84 GLN HB2 1 85 ASN H 2.500 . 3.300 2.490 2.314 3.243 . 0 0 "[ . 1 . ]" 1
394 1 60 PRO QD 1 60 PRO HG2 2.300 . 2.600 2.185 2.149 2.193 . 0 0 "[ . 1 . ]" 1
395 1 65 ILE HG12 1 70 SER HA 2.400 . 6.000 4.176 3.878 4.688 . 0 0 "[ . 1 . ]" 1
396 1 67 LYS HG3 1 70 SER HA 1.800 . 6.000 6.105 6.036 6.176 0.176 3 0 "[ . 1 . ]" 1
397 1 95 LYS H 1 95 LYS QG 2.500 . 3.300 3.162 2.868 3.380 0.080 5 0 "[ . 1 . ]" 1
398 1 69 LYS HB2 1 69 LYS QG 2.200 . 2.800 2.345 2.252 2.436 . 0 0 "[ . 1 . ]" 1
399 1 95 LYS H 1 95 LYS HB2 2.100 . 2.600 2.281 2.192 2.366 . 0 0 "[ . 1 . ]" 1
400 1 77 PRO HA 1 79 SER QB 2.900 . 6.000 5.361 4.932 5.997 . 0 0 "[ . 1 . ]" 1
401 1 21 ILE HA 1 28 ARG QB 3.000 . 6.000 5.462 3.836 5.996 . 0 0 "[ . 1 . ]" 1
402 1 63 LYS H 1 63 LYS HB2 2.400 . 3.100 2.740 2.298 3.076 . 0 0 "[ . 1 . ]" 1
403 1 19 SER H 1 19 SER QB 2.200 . 2.800 2.422 2.326 2.747 . 0 0 "[ . 1 . ]" 1
404 1 47 LEU HA 1 47 LEU QB 2.200 . 2.800 2.151 2.119 2.176 . 0 0 "[ . 1 . ]" 1
405 1 64 LEU QB 1 71 LEU QB 2.400 . 3.100 1.214 1.089 1.455 0.911 2 18 [*+***************-] 1
406 1 36 GLN H 1 36 GLN HG2 2.500 . 6.000 3.729 3.367 4.096 . 0 0 "[ . 1 . ]" 1
407 1 29 TYR H 1 29 TYR QB 2.300 . 2.900 2.530 2.454 2.604 . 0 0 "[ . 1 . ]" 1
408 1 44 VAL HB 1 81 LEU HG 2.800 . 6.000 5.955 5.599 6.030 0.030 10 0 "[ . 1 . ]" 1
409 1 67 LYS HG3 1 69 LYS QB 2.100 . 2.700 2.386 1.902 2.653 . 0 0 "[ . 1 . ]" 1
410 1 58 PRO QG 1 61 PHE H 2.400 . 3.100 2.866 2.573 3.076 . 0 0 "[ . 1 . ]" 1
411 1 14 GLU HB3 1 36 GLN H 1.700 . 2.200 1.924 1.673 2.244 0.044 11 0 "[ . 1 . ]" 1
412 1 7 MET HA 1 16 PRO HD2 3.700 . 5.400 5.405 5.149 5.553 0.153 9 0 "[ . 1 . ]" 1
413 1 3 LYS QD 1 87 CYS HA 2.200 . 2.800 1.897 1.522 2.474 0.078 6 0 "[ . 1 . ]" 1
414 1 35 PRO HA 1 35 PRO HB2 2.400 . 3.100 2.716 2.663 2.865 . 0 0 "[ . 1 . ]" 1
415 1 34 THR H 1 37 GLN QG 2.900 . 6.000 6.090 6.042 6.145 0.145 18 0 "[ . 1 . ]" 1
416 1 40 SER HA 1 40 SER QB 2.500 . 3.300 2.338 2.265 2.389 . 0 0 "[ . 1 . ]" 1
417 1 62 GLN HA 1 94 GLU QG 2.600 . 6.000 5.758 5.137 6.052 0.052 13 0 "[ . 1 . ]" 1
418 1 4 THR HA 1 7 MET H 2.800 . 6.000 5.716 5.258 6.060 0.060 13 0 "[ . 1 . ]" 1
419 1 47 LEU QB 1 67 LYS HG3 2.600 . 6.000 3.562 3.372 3.709 . 0 0 "[ . 1 . ]" 1
420 1 80 ALA HA 1 83 MET HB3 2.700 . 6.000 5.522 5.207 6.769 0.769 14 1 "[ . 1 +. ]" 1
421 1 92 ILE H 1 92 ILE HA 2.400 . 3.100 2.925 2.917 2.932 . 0 0 "[ . 1 . ]" 1
422 1 31 LEU QB 1 54 ALA HA 2.800 . 6.000 4.171 3.975 4.422 . 0 0 "[ . 1 . ]" 1
423 1 14 GLU QG 1 36 GLN H 2.100 . 2.600 1.686 1.534 2.326 0.066 9 0 "[ . 1 . ]" 1
424 1 79 SER HA 1 79 SER QB 2.400 . 3.100 2.363 2.187 2.463 . 0 0 "[ . 1 . ]" 1
425 1 67 LYS QD 1 82 GLY HA2 2.300 . 3.000 2.662 2.521 2.922 . 0 0 "[ . 1 . ]" 1
426 1 9 GLN QG 1 85 ASN H 3.100 . 6.000 5.561 5.015 6.055 0.055 10 0 "[ . 1 . ]" 1
427 1 59 LEU HA 1 59 LEU QB 2.500 . 3.300 2.332 2.143 2.447 . 0 0 "[ . 1 . ]" 1
428 1 34 THR HB 1 35 PRO QG 3.100 . 6.000 5.599 5.471 5.809 . 0 0 "[ . 1 . ]" 1
429 1 72 LYS HA 1 72 LYS HB3 2.600 . 3.400 2.893 2.597 3.037 . 0 0 "[ . 1 . ]" 1
430 1 3 LYS HA 1 3 LYS QE 3.200 . 6.000 4.698 4.096 5.038 . 0 0 "[ . 1 . ]" 1
431 1 62 GLN HA 1 92 ILE HA 3.100 . 6.000 5.581 5.297 5.989 . 0 0 "[ . 1 . ]" 1
432 1 66 PHE QB 1 67 LYS H 2.800 . 3.800 2.996 2.915 3.084 . 0 0 "[ . 1 . ]" 1
433 1 51 VAL HA 1 62 GLN HB3 2.900 . 6.000 6.170 6.089 6.473 0.473 9 0 "[ . 1 . ]" 1
434 1 47 LEU QB 1 67 LYS QD 2.800 . 6.000 3.415 3.076 3.558 . 0 0 "[ . 1 . ]" 1
435 1 43 VAL HA 1 81 LEU HG 2.300 . 6.000 3.765 3.658 3.889 . 0 0 "[ . 1 . ]" 1
436 1 71 LEU QB 1 72 LYS HB2 1.900 . 6.000 5.166 5.000 5.506 . 0 0 "[ . 1 . ]" 1
437 1 51 VAL HB 1 91 LEU HG 3.200 . 6.000 4.659 4.623 4.736 . 0 0 "[ . 1 . ]" 1
438 1 45 GLN H 1 45 GLN QG 2.500 . 3.300 2.250 2.009 3.547 0.247 10 0 "[ . 1 . ]" 1
439 1 46 ASP HA 1 46 ASP QB 2.300 . 3.000 2.270 2.215 2.308 . 0 0 "[ . 1 . ]" 1
440 1 35 PRO HB2 1 39 ASN QB 2.000 . 6.000 6.039 6.001 6.077 0.077 7 0 "[ . 1 . ]" 1
441 1 63 LYS HA 1 63 LYS HB2 2.500 . 3.300 2.736 2.478 3.028 . 0 0 "[ . 1 . ]" 1
442 1 34 THR HB 1 42 PRO QB 2.700 . 3.600 3.302 2.897 3.442 . 0 0 "[ . 1 . ]" 1
443 1 51 VAL H 1 64 LEU QB 3.200 . 4.500 4.233 4.136 4.336 . 0 0 "[ . 1 . ]" 1
444 1 32 LEU H 1 32 LEU HB3 2.300 . 2.900 2.384 2.319 2.495 . 0 0 "[ . 1 . ]" 1
445 1 76 THR HA 1 76 THR HB 2.400 . 3.100 2.648 2.448 2.992 . 0 0 "[ . 1 . ]" 1
446 1 60 PRO HA 1 60 PRO HB3 2.500 . 3.300 2.262 2.230 2.273 . 0 0 "[ . 1 . ]" 1
447 1 49 GLN HB3 1 50 LEU H 2.200 . 2.800 2.349 2.312 2.428 . 0 0 "[ . 1 . ]" 1
448 1 38 GLY HA3 1 40 SER QB 3.200 . 4.400 4.498 4.426 4.566 0.166 14 0 "[ . 1 . ]" 1
449 1 91 LEU HA 1 91 LEU HG 3.100 . 4.300 4.273 4.263 4.298 . 0 0 "[ . 1 . ]" 1
450 1 22 VAL HB 1 29 TYR QB 2.600 . 3.500 2.788 2.365 3.202 . 0 0 "[ . 1 . ]" 1
451 1 48 ALA HA 1 71 LEU QB 2.100 . 2.600 1.802 1.624 2.055 . 0 0 "[ . 1 . ]" 1
452 1 27 GLU HB3 1 28 ARG H 3.200 . 4.500 4.301 4.046 4.458 . 0 0 "[ . 1 . ]" 1
453 1 66 PHE QB 1 67 LYS HG3 2.600 . 3.400 3.191 3.016 3.400 . 0 0 "[ . 1 . ]" 1
454 1 16 PRO QG 1 86 GLY H 3.900 . 5.800 4.946 4.827 5.099 . 0 0 "[ . 1 . ]" 1
455 1 36 GLN HB3 1 36 GLN HG2 2.600 . 3.400 2.550 2.337 3.011 . 0 0 "[ . 1 . ]" 1
456 1 50 LEU HB2 1 64 LEU QB 3.300 . 6.000 5.695 5.651 5.765 . 0 0 "[ . 1 . ]" 1
457 1 34 THR HB 1 35 PRO QD 3.200 . 4.400 4.037 3.963 4.139 . 0 0 "[ . 1 . ]" 1
458 1 51 VAL HA 1 91 LEU HG 2.800 . 6.000 4.152 4.056 4.515 . 0 0 "[ . 1 . ]" 1
459 1 84 GLN HA 1 84 GLN QG 2.800 . 3.800 3.299 3.083 3.350 . 0 0 "[ . 1 . ]" 1
460 1 33 VAL HA 1 50 LEU HG 2.800 . 3.800 3.832 3.736 3.875 0.075 18 0 "[ . 1 . ]" 1
461 1 18 LEU HB2 1 18 LEU HG 2.800 . 3.800 3.011 3.000 3.022 . 0 0 "[ . 1 . ]" 1
462 1 67 LYS HB3 1 67 LYS HG2 2.300 . 3.000 2.400 2.317 2.452 . 0 0 "[ . 1 . ]" 1
463 1 25 SER HA 1 25 SER HB3 3.000 . 4.100 2.893 2.493 3.032 . 0 0 "[ . 1 . ]" 1
464 1 60 PRO HB3 1 60 PRO HG3 2.500 . 3.300 2.313 2.249 2.327 . 0 0 "[ . 1 . ]" 1
465 1 62 GLN HA 1 62 GLN HB2 2.300 . 3.000 2.437 2.325 2.509 . 0 0 "[ . 1 . ]" 1
466 1 28 ARG QB 1 28 ARG QD 2.900 . 3.900 2.619 2.175 2.845 . 0 0 "[ . 1 . ]" 1
467 1 34 THR HA 1 35 PRO QD 2.400 . 3.100 1.816 1.658 1.884 0.042 3 0 "[ . 1 . ]" 1
468 1 12 GLU HA 1 12 GLU QB 2.600 . 3.400 2.444 2.354 2.540 . 0 0 "[ . 1 . ]" 1
469 1 62 GLN HA 1 91 LEU HG 3.200 . 4.500 4.049 3.745 4.220 . 0 0 "[ . 1 . ]" 1
470 1 50 LEU H 1 67 LYS QE 3.100 . 6.000 5.628 5.489 5.852 . 0 0 "[ . 1 . ]" 1
471 1 81 LEU H 1 81 LEU HA 2.500 . 3.300 2.842 2.833 2.854 . 0 0 "[ . 1 . ]" 1
472 1 66 PHE H 1 66 PHE QB 2.600 . 3.400 2.995 2.974 3.007 . 0 0 "[ . 1 . ]" 1
473 1 57 VAL HA 1 58 PRO QD 2.500 . 3.300 2.006 1.927 2.075 . 0 0 "[ . 1 . ]" 1
474 1 58 PRO HA 1 58 PRO HB3 2.500 . 3.300 2.304 2.287 2.319 . 0 0 "[ . 1 . ]" 1
475 1 16 PRO HD3 1 35 PRO HA 3.200 . 6.000 5.130 4.822 5.337 . 0 0 "[ . 1 . ]" 1
476 1 68 GLY H 1 68 GLY HA3 2.600 . 3.400 2.819 2.813 2.829 . 0 0 "[ . 1 . ]" 1
477 1 46 ASP H 1 46 ASP HA 2.400 . 3.100 2.799 2.783 2.821 . 0 0 "[ . 1 . ]" 1
478 1 27 GLU HG2 1 95 LYS HE2 3.000 . 4.100 4.042 3.613 4.539 0.439 16 0 "[ . 1 . ]" 1
479 1 77 PRO HB3 1 81 LEU H 3.000 . 6.000 5.909 5.756 6.009 0.009 8 0 "[ . 1 . ]" 1
480 1 53 GLU HA 1 53 GLU QB 2.600 . 3.500 2.327 2.289 2.357 . 0 0 "[ . 1 . ]" 1
481 1 62 GLN QG 1 91 LEU HG 3.200 . 4.500 3.304 2.998 3.648 . 0 0 "[ . 1 . ]" 1
482 1 50 LEU HB3 1 50 LEU HG 2.700 . 3.600 3.026 3.018 3.037 . 0 0 "[ . 1 . ]" 1
483 1 96 SER HA 1 97 ASN H 2.700 . 3.600 2.196 2.107 2.378 . 0 0 "[ . 1 . ]" 1
484 1 92 ILE HA 1 92 ILE HG13 2.500 . 3.300 3.081 3.008 3.337 0.037 9 0 "[ . 1 . ]" 1
485 1 44 VAL HA 1 81 LEU HG 2.900 . 4.000 3.460 3.119 3.570 . 0 0 "[ . 1 . ]" 1
486 1 40 SER QB 1 41 GLU H 3.000 . 4.100 3.000 2.796 3.240 . 0 0 "[ . 1 . ]" 1
487 1 48 ALA HA 1 71 LEU HA 2.900 . 3.900 3.160 2.818 3.501 . 0 0 "[ . 1 . ]" 1
488 1 59 LEU HA 1 72 LYS HA 3.000 . 6.000 6.032 5.979 6.098 0.098 9 0 "[ . 1 . ]" 1
489 1 67 LYS QD 1 67 LYS HG3 2.600 . 3.500 2.407 2.359 2.440 . 0 0 "[ . 1 . ]" 1
490 1 15 THR HB 1 32 LEU HG 2.800 . 3.800 3.614 3.356 3.817 0.017 12 0 "[ . 1 . ]" 1
491 1 66 PHE HA 1 66 PHE QB 2.600 . 3.400 2.503 2.497 2.510 . 0 0 "[ . 1 . ]" 1
492 1 32 LEU H 1 32 LEU HB2 3.100 . 4.300 3.402 3.269 3.685 . 0 0 "[ . 1 . ]" 1
493 1 36 GLN H 1 36 GLN HB3 3.200 . 4.500 4.145 4.053 4.193 . 0 0 "[ . 1 . ]" 1
494 1 65 ILE HA 1 67 LYS HG3 3.200 . 6.000 6.004 5.930 6.051 0.051 15 0 "[ . 1 . ]" 1
495 1 31 LEU QB 1 31 LEU HG 2.400 . 3.100 2.166 2.156 2.179 . 0 0 "[ . 1 . ]" 1
496 1 67 LYS HB3 1 69 LYS H 3.400 . 4.900 4.825 4.752 4.871 . 0 0 "[ . 1 . ]" 1
497 1 16 PRO QG 1 40 SER HA 2.700 . 3.600 2.905 2.413 3.546 . 0 0 "[ . 1 . ]" 1
498 1 57 VAL HA 1 58 PRO QG 3.700 . 5.400 3.897 3.824 3.968 . 0 0 "[ . 1 . ]" 1
499 1 85 ASN HA 1 85 ASN QB 2.300 . 2.900 2.206 2.201 2.216 . 0 0 "[ . 1 . ]" 1
500 1 57 VAL H 1 57 VAL HB 2.700 . 3.600 2.963 2.272 3.715 0.115 17 0 "[ . 1 . ]" 1
501 1 39 ASN HA 1 39 ASN QB 2.600 . 3.400 2.150 2.140 2.178 . 0 0 "[ . 1 . ]" 1
502 1 91 LEU HB2 1 93 GLY HA3 2.100 . 6.000 4.987 4.802 5.193 . 0 0 "[ . 1 . ]" 1
503 1 19 SER HA 1 19 SER QB 2.600 . 3.400 2.290 2.171 2.372 . 0 0 "[ . 1 . ]" 1
504 1 36 GLN HA 1 36 GLN QG 2.700 . 3.600 2.469 2.288 3.179 . 0 0 "[ . 1 . ]" 1
505 1 69 LYS HB3 1 69 LYS QG 2.500 . 3.300 2.315 2.137 2.417 . 0 0 "[ . 1 . ]" 1
506 1 25 SER HA 1 25 SER HB2 2.700 . 3.600 2.638 2.429 3.034 . 0 0 "[ . 1 . ]" 1
507 1 95 LYS HA 1 95 LYS HB3 2.600 . 3.500 2.665 2.586 2.747 . 0 0 "[ . 1 . ]" 1
508 1 19 SER QB 1 32 LEU HB2 3.000 . 4.100 4.188 4.151 4.262 0.162 4 0 "[ . 1 . ]" 1
509 1 22 VAL HA 1 31 LEU QB 3.600 . 5.200 4.836 4.713 4.952 . 0 0 "[ . 1 . ]" 1
510 1 3 LYS QE 1 87 CYS HB2 3.400 . 4.800 4.918 4.848 4.972 0.172 13 0 "[ . 1 . ]" 1
511 1 7 MET QG 1 18 LEU HB3 3.900 . 5.800 5.049 4.816 5.456 . 0 0 "[ . 1 . ]" 1
512 1 67 LYS HA 1 67 LYS HG3 3.100 . 4.300 3.860 3.821 3.890 . 0 0 "[ . 1 . ]" 1
513 1 84 GLN HA 1 84 GLN HB3 2.800 . 3.800 2.369 2.311 2.450 . 0 0 "[ . 1 . ]" 1
514 1 8 VAL HA 1 11 GLU H 4.300 . 6.000 6.053 5.893 6.088 0.088 13 0 "[ . 1 . ]" 1
515 1 90 MET HA 1 90 MET QB 2.500 . 3.300 2.086 2.059 2.109 . 0 0 "[ . 1 . ]" 1
516 1 57 VAL H 1 57 VAL HA 2.800 . 3.800 2.909 2.878 2.933 . 0 0 "[ . 1 . ]" 1
517 1 67 LYS HA 1 67 LYS HB3 2.600 . 3.400 2.244 2.232 2.275 . 0 0 "[ . 1 . ]" 1
518 1 19 SER H 1 19 SER HA 2.600 . 3.400 2.932 2.913 2.948 . 0 0 "[ . 1 . ]" 1
519 1 72 LYS HA 1 72 LYS HB2 2.800 . 3.800 2.740 2.483 3.020 . 0 0 "[ . 1 . ]" 1
520 1 26 ASN HA 1 26 ASN HB2 2.900 . 4.000 2.542 2.444 3.036 . 0 0 "[ . 1 . ]" 1
521 1 55 THR HA 1 55 THR HB 2.900 . 3.900 2.686 2.329 3.019 . 0 0 "[ . 1 . ]" 1
522 1 81 LEU HB3 1 81 LEU HG 2.500 . 3.300 2.346 2.319 2.376 . 0 0 "[ . 1 . ]" 1
523 1 67 LYS QD 1 67 LYS HG2 2.600 . 3.500 2.324 2.293 2.368 . 0 0 "[ . 1 . ]" 1
524 1 34 THR H 1 42 PRO QG 3.300 . 4.600 3.682 3.350 4.007 . 0 0 "[ . 1 . ]" 1
525 1 79 SER HA 1 81 LEU H 2.800 . 3.800 3.543 3.510 3.600 . 0 0 "[ . 1 . ]" 1
526 1 15 THR HA 1 16 PRO HD2 2.200 . 2.800 2.857 2.826 2.899 0.099 4 0 "[ . 1 . ]" 1
527 1 83 MET HA 1 83 MET HB3 2.700 . 3.600 2.398 2.361 2.461 . 0 0 "[ . 1 . ]" 1
528 1 47 LEU HA 1 50 LEU H 2.800 . 3.800 3.793 3.626 3.857 0.057 9 0 "[ . 1 . ]" 1
529 1 37 GLN QG 1 79 SER H 3.500 . 6.000 6.074 6.024 6.134 0.134 13 0 "[ . 1 . ]" 1
530 1 34 THR HA 1 34 THR HB 2.700 . 3.600 3.018 3.011 3.026 . 0 0 "[ . 1 . ]" 1
531 1 49 GLN HA 1 49 GLN HG2 3.500 . 5.100 3.874 3.829 3.922 . 0 0 "[ . 1 . ]" 1
532 1 50 LEU HA 1 50 LEU HB3 2.400 . 3.100 2.475 2.446 2.495 . 0 0 "[ . 1 . ]" 1
533 1 88 ARG HA 1 88 ARG HG3 3.100 . 4.300 3.076 2.571 4.259 . 0 0 "[ . 1 . ]" 1
534 1 81 LEU H 1 81 LEU HG 3.800 . 5.600 4.564 4.509 4.605 . 0 0 "[ . 1 . ]" 1
535 1 48 ALA HA 1 51 VAL HB 2.800 . 3.700 3.573 3.353 3.684 . 0 0 "[ . 1 . ]" 1
536 1 18 LEU HB3 1 18 LEU HG 2.600 . 3.400 2.361 2.328 2.419 . 0 0 "[ . 1 . ]" 1
537 1 20 VAL H 1 20 VAL HB 2.800 . 3.800 2.939 2.777 3.679 . 0 0 "[ . 1 . ]" 1
538 1 44 VAL HA 1 78 LEU HG 2.900 . 4.000 3.219 3.026 3.363 . 0 0 "[ . 1 . ]" 1
539 1 33 VAL HA 1 50 LEU H 3.700 . 6.000 5.812 5.609 5.933 . 0 0 "[ . 1 . ]" 1
540 1 78 LEU HA 1 78 LEU HB2 2.900 . 4.000 3.005 2.999 3.009 . 0 0 "[ . 1 . ]" 1
541 1 19 SER HA 1 31 LEU H 3.200 . 4.500 4.290 4.154 4.531 0.031 16 0 "[ . 1 . ]" 1
542 1 26 ASN HA 1 26 ASN HB3 3.000 . 4.100 2.900 2.400 3.040 . 0 0 "[ . 1 . ]" 1
543 1 19 SER HA 1 32 LEU HA 2.600 . 3.500 2.357 2.185 2.487 . 0 0 "[ . 1 . ]" 1
544 1 4 THR HB 1 5 GLU H 3.000 . 4.100 2.635 1.960 4.132 0.032 6 0 "[ . 1 . ]" 1
545 1 21 ILE HB 1 21 ILE QG 2.700 . 3.600 2.378 2.176 2.427 . 0 0 "[ . 1 . ]" 1
546 1 71 LEU HA 1 71 LEU QB 2.500 . 3.300 2.150 2.138 2.170 . 0 0 "[ . 1 . ]" 1
547 1 3 LYS QE 1 87 CYS HA 2.900 . 3.900 3.063 2.805 3.184 . 0 0 "[ . 1 . ]" 1
548 1 62 GLN H 1 62 GLN QG 2.800 . 3.800 2.168 2.011 2.602 . 0 0 "[ . 1 . ]" 1
549 1 16 PRO HD2 1 32 LEU HG 3.500 . 6.000 5.641 5.398 6.201 0.201 4 0 "[ . 1 . ]" 1
550 1 3 LYS QE 1 21 ILE QG 2.900 . 4.000 2.408 2.071 2.811 . 0 0 "[ . 1 . ]" 1
551 1 67 LYS HB2 1 67 LYS HG3 2.600 . 3.400 2.537 2.456 2.645 . 0 0 "[ . 1 . ]" 1
552 1 3 LYS QG 1 85 ASN H 2.900 . 4.000 3.865 3.147 4.072 0.072 12 0 "[ . 1 . ]" 1
553 1 21 ILE HA 1 23 THR HB 3.300 . 6.000 5.932 5.486 6.152 0.152 7 0 "[ . 1 . ]" 1
554 1 20 VAL HA 1 86 GLY HA3 2.700 . 3.600 2.556 2.372 2.723 . 0 0 "[ . 1 . ]" 1
555 1 45 GLN H 1 45 GLN HB3 3.600 . 5.200 3.495 2.003 3.605 . 0 0 "[ . 1 . ]" 1
556 1 24 HIS HB3 1 27 GLU QG 3.200 . 4.500 3.721 3.283 4.511 0.011 15 0 "[ . 1 . ]" 1
557 1 52 GLU QG 1 58 PRO HA 2.900 . 4.000 3.273 2.942 3.783 . 0 0 "[ . 1 . ]" 1
558 1 13 MET HB2 1 13 MET HG3 2.800 . 3.800 2.436 2.362 2.488 . 0 0 "[ . 1 . ]" 1
559 1 87 CYS HB3 1 88 ARG H 2.700 . 3.600 2.428 2.075 3.349 . 0 0 "[ . 1 . ]" 1
560 1 50 LEU HA 1 53 GLU QB 3.100 . 4.300 3.038 2.846 3.202 . 0 0 "[ . 1 . ]" 1
561 1 16 PRO HA 1 16 PRO QG 3.500 . 5.100 3.526 3.508 3.537 . 0 0 "[ . 1 . ]" 1
562 1 36 GLN HA 1 36 GLN HB3 2.700 . 3.600 2.500 2.391 2.703 . 0 0 "[ . 1 . ]" 1
563 1 23 THR HA 1 23 THR HB 2.800 . 3.800 2.690 2.340 3.000 . 0 0 "[ . 1 . ]" 1
564 1 59 LEU H 1 60 PRO QD 2.700 . 3.600 2.473 2.412 2.563 . 0 0 "[ . 1 . ]" 1
565 1 71 LEU H 1 71 LEU HA 2.800 . 3.800 2.842 2.821 2.862 . 0 0 "[ . 1 . ]" 1
566 1 67 LYS HB3 1 88 ARG QD 3.000 . 6.000 4.510 3.569 5.036 . 0 0 "[ . 1 . ]" 1
567 1 90 MET HA 1 90 MET HG3 3.200 . 4.500 3.605 3.160 4.071 . 0 0 "[ . 1 . ]" 1
568 1 35 PRO HA 1 36 GLN QG 3.500 . 5.000 4.380 4.141 4.800 . 0 0 "[ . 1 . ]" 1
569 1 29 TYR QB 1 31 LEU QB 3.100 . 4.300 4.042 3.805 4.225 . 0 0 "[ . 1 . ]" 1
570 1 61 PHE HA 1 61 PHE HB2 2.900 . 3.900 2.948 2.884 3.002 . 0 0 "[ . 1 . ]" 1
571 1 65 ILE HB 1 65 ILE HG13 2.800 . 3.800 2.455 2.399 2.488 . 0 0 "[ . 1 . ]" 1
572 1 78 LEU HA 1 81 LEU HG 3.100 . 4.300 3.145 3.051 3.302 . 0 0 "[ . 1 . ]" 1
573 1 62 GLN HA 1 62 GLN HB3 2.800 . 3.800 2.439 2.343 2.605 . 0 0 "[ . 1 . ]" 1
574 1 16 PRO QG 1 84 GLN HA 4.100 . 6.000 5.812 5.539 6.043 0.043 4 0 "[ . 1 . ]" 1
575 1 91 LEU H 1 91 LEU HB3 2.600 . 3.500 2.986 2.918 3.021 . 0 0 "[ . 1 . ]" 1
576 1 87 CYS HA 1 87 CYS HB2 2.700 . 3.600 2.507 2.335 2.581 . 0 0 "[ . 1 . ]" 1
577 1 9 GLN QG 1 85 ASN QB 3.100 . 4.300 2.972 2.489 3.453 . 0 0 "[ . 1 . ]" 1
578 1 91 LEU H 1 91 LEU HA 2.600 . 3.400 2.913 2.901 2.918 . 0 0 "[ . 1 . ]" 1
579 1 85 ASN HB2 1 86 GLY HA3 3.000 . 6.000 4.465 4.337 4.613 . 0 0 "[ . 1 . ]" 1
580 1 40 SER H 1 40 SER QB 3.000 . 4.100 2.368 2.166 2.528 . 0 0 "[ . 1 . ]" 1
581 1 23 THR HA 1 28 ARG HA 2.800 . 3.800 2.443 2.126 2.687 . 0 0 "[ . 1 . ]" 1
582 1 39 ASN H 1 39 ASN HA 2.800 . 3.800 2.238 2.199 2.648 . 0 0 "[ . 1 . ]" 1
583 1 18 LEU HA 1 18 LEU HB2 2.900 . 3.900 2.914 2.807 2.945 . 0 0 "[ . 1 . ]" 1
584 1 78 LEU H 1 78 LEU HA 2.700 . 3.600 2.818 2.803 2.829 . 0 0 "[ . 1 . ]" 1
585 1 57 VAL HA 1 57 VAL HB 2.900 . 3.900 2.670 2.289 3.023 . 0 0 "[ . 1 . ]" 1
586 1 32 LEU HA 1 32 LEU HB2 2.600 . 3.400 2.249 2.207 2.272 . 0 0 "[ . 1 . ]" 1
587 1 17 ARG HA 1 17 ARG QG 2.700 . 3.600 2.311 2.194 2.525 . 0 0 "[ . 1 . ]" 1
588 1 50 LEU HA 1 50 LEU HB2 2.900 . 3.900 3.013 3.007 3.018 . 0 0 "[ . 1 . ]" 1
589 1 67 LYS HG3 1 68 GLY HA3 3.600 . 6.000 5.904 5.631 6.025 0.025 1 0 "[ . 1 . ]" 1
590 1 62 GLN HA 1 63 LYS HA 3.400 . 4.800 4.393 4.357 4.442 . 0 0 "[ . 1 . ]" 1
591 1 38 GLY H 1 39 ASN QB 3.600 . 5.200 4.448 3.690 4.811 . 0 0 "[ . 1 . ]" 1
592 1 37 GLN HB3 1 38 GLY HA3 3.400 . 4.800 3.659 3.519 3.976 . 0 0 "[ . 1 . ]" 1
593 1 17 ARG HA 1 17 ARG HB3 2.900 . 4.000 2.976 2.679 3.030 . 0 0 "[ . 1 . ]" 1
594 1 94 GLU HA 1 94 GLU HB2 2.900 . 4.000 2.786 2.459 3.020 . 0 0 "[ . 1 . ]" 1
595 1 20 VAL HA 1 21 ILE HB 3.800 . 5.600 4.964 4.696 5.546 . 0 0 "[ . 1 . ]" 1
596 1 24 HIS HA 1 24 HIS HB2 2.600 . 3.500 2.360 2.257 2.424 . 0 0 "[ . 1 . ]" 1
597 1 84 GLN HB3 1 85 ASN H 2.600 . 6.000 3.586 2.491 3.809 . 0 0 "[ . 1 . ]" 1
598 1 31 LEU QB 1 51 VAL HA 3.700 . 5.500 4.855 4.763 4.977 . 0 0 "[ . 1 . ]" 1
599 1 87 CYS HA 1 87 CYS HB3 3.000 . 4.100 2.877 2.441 3.005 . 0 0 "[ . 1 . ]" 1
600 1 95 LYS HA 1 95 LYS QG 2.700 . 3.600 2.322 2.171 2.743 . 0 0 "[ . 1 . ]" 1
601 1 67 LYS HA 1 67 LYS HG2 3.200 . 4.500 3.585 3.440 3.763 . 0 0 "[ . 1 . ]" 1
602 1 31 LEU QB 1 50 LEU HB2 4.200 . 6.000 4.054 3.933 4.173 . 0 0 "[ . 1 . ]" 1
603 1 8 VAL HA 1 16 PRO HD2 3.800 . 6.000 6.088 6.024 6.136 0.136 11 0 "[ . 1 . ]" 1
604 1 23 THR HB 1 90 MET HA 3.800 . 5.600 4.490 3.446 5.377 . 0 0 "[ . 1 . ]" 1
605 1 62 GLN HA 1 96 SER H 3.400 . 6.000 5.996 5.621 6.143 0.143 16 0 "[ . 1 . ]" 1
606 1 67 LYS H 1 67 LYS HB3 3.200 . 4.500 3.613 3.464 3.715 . 0 0 "[ . 1 . ]" 1
607 1 71 LEU QB 1 72 LYS HA 3.200 . 4.400 4.224 4.115 4.321 . 0 0 "[ . 1 . ]" 1
608 1 88 ARG HA 1 88 ARG HB3 2.700 . 3.600 2.385 2.338 2.416 . 0 0 "[ . 1 . ]" 1
609 1 88 ARG QD 1 88 ARG HG2 3.000 . 4.100 2.375 2.165 2.530 . 0 0 "[ . 1 . ]" 1
610 1 35 PRO HB2 1 36 GLN HA 3.800 . 5.600 4.261 4.151 4.377 . 0 0 "[ . 1 . ]" 1
611 1 16 PRO HB2 1 16 PRO HD3 3.500 . 5.000 4.097 4.032 4.117 . 0 0 "[ . 1 . ]" 1
612 1 67 LYS HG3 1 69 LYS HA 3.700 . 5.400 5.145 4.742 5.344 . 0 0 "[ . 1 . ]" 1
613 1 53 GLU HA 1 53 GLU QG 3.000 . 4.100 2.629 2.392 3.059 . 0 0 "[ . 1 . ]" 1
614 1 46 ASP HA 1 46 ASP HB2 2.700 . 3.600 2.350 2.283 2.397 . 0 0 "[ . 1 . ]" 1
615 1 69 LYS HA 1 69 LYS HB3 2.700 . 3.600 2.473 2.314 2.678 . 0 0 "[ . 1 . ]" 1
616 1 7 MET HA 1 7 MET QB 3.000 . 4.100 2.500 2.462 2.539 . 0 0 "[ . 1 . ]" 1
617 1 15 THR HB 1 16 PRO HB3 3.900 . 5.800 5.839 5.696 5.992 0.192 17 0 "[ . 1 . ]" 1
618 1 84 GLN H 1 84 GLN HA 3.000 . 4.100 2.822 2.799 2.861 . 0 0 "[ . 1 . ]" 1
619 1 44 VAL H 1 45 GLN HA 3.800 . 5.600 5.296 5.243 5.353 . 0 0 "[ . 1 . ]" 1
620 1 18 LEU HA 1 18 LEU HB3 2.800 . 3.800 2.690 2.636 2.826 . 0 0 "[ . 1 . ]" 1
621 1 90 MET HA 1 91 LEU HB2 4.000 . 6.000 5.514 5.460 5.598 . 0 0 "[ . 1 . ]" 1
622 1 80 ALA HA 1 81 LEU H 3.100 . 4.300 3.235 3.221 3.253 . 0 0 "[ . 1 . ]" 1
623 1 58 PRO QG 1 61 PHE HB2 4.100 . 6.000 2.183 1.997 2.676 0.003 15 0 "[ . 1 . ]" 1
624 1 46 ASP HA 1 81 LEU HG 3.900 . 5.800 5.382 5.253 5.521 . 0 0 "[ . 1 . ]" 1
625 1 78 LEU HA 1 81 LEU HB2 2.500 . 3.300 1.971 1.816 2.220 . 0 0 "[ . 1 . ]" 1
626 1 64 LEU H 1 70 SER HA 3.600 . 5.300 4.883 4.657 5.081 . 0 0 "[ . 1 . ]" 1
627 1 46 ASP HA 1 49 GLN HG2 3.500 . 5.000 3.307 3.150 3.681 . 0 0 "[ . 1 . ]" 1
628 1 60 PRO HB3 1 61 PHE HA 3.800 . 5.600 5.182 5.052 5.514 . 0 0 "[ . 1 . ]" 1
629 1 31 LEU HA 1 31 LEU QB 2.900 . 3.900 2.533 2.524 2.543 . 0 0 "[ . 1 . ]" 1
630 1 88 ARG HB3 1 88 ARG QD 3.200 . 4.400 3.112 2.262 3.510 . 0 0 "[ . 1 . ]" 1
631 1 91 LEU HA 1 91 LEU HB3 2.700 . 3.600 2.425 2.408 2.437 . 0 0 "[ . 1 . ]" 1
632 1 20 VAL H 1 85 ASN QB 3.800 . 5.600 5.541 5.426 5.629 0.029 5 0 "[ . 1 . ]" 1
633 1 60 PRO HA 1 60 PRO QD 3.400 . 4.800 3.450 3.441 3.455 . 0 0 "[ . 1 . ]" 1
634 1 35 PRO HA 1 35 PRO QD 3.300 . 4.600 3.376 3.309 3.485 . 0 0 "[ . 1 . ]" 1
635 1 46 ASP H 1 81 LEU HG 3.100 . 4.300 3.499 3.390 3.586 . 0 0 "[ . 1 . ]" 1
636 1 50 LEU HB2 1 67 LYS QE 3.600 . 5.200 4.566 4.390 4.781 . 0 0 "[ . 1 . ]" 1
637 1 34 THR H 1 34 THR HB 2.900 . 4.000 2.578 2.543 2.616 . 0 0 "[ . 1 . ]" 1
638 1 49 GLN HA 1 52 GLU HB2 3.600 . 5.200 3.339 2.405 3.567 . 0 0 "[ . 1 . ]" 1
639 1 12 GLU QB 1 15 THR HB 3.500 . 5.000 3.587 2.525 4.219 . 0 0 "[ . 1 . ]" 1
640 1 44 VAL HB 1 75 GLU H 2.600 . 3.500 2.019 1.721 2.452 . 0 0 "[ . 1 . ]" 1
641 1 36 GLN HA 1 36 GLN HG2 3.000 . 4.100 2.586 2.342 3.435 . 0 0 "[ . 1 . ]" 1
642 1 51 VAL HA 1 51 VAL HB 2.800 . 3.800 2.798 2.666 2.845 . 0 0 "[ . 1 . ]" 1
643 1 49 GLN HG2 1 50 LEU H 3.700 . 5.400 4.062 3.887 4.322 . 0 0 "[ . 1 . ]" 1
644 1 21 ILE HB 1 88 ARG HA 3.100 . 4.300 2.831 2.375 4.151 . 0 0 "[ . 1 . ]" 1
645 1 22 VAL HB 1 31 LEU HG 3.700 . 5.400 4.471 4.234 4.787 . 0 0 "[ . 1 . ]" 1
646 1 81 LEU HA 1 81 LEU HB3 3.000 . 4.100 2.919 2.856 2.952 . 0 0 "[ . 1 . ]" 1
647 1 53 GLU HB3 1 54 ALA HA 3.600 . 5.200 4.338 4.201 4.422 . 0 0 "[ . 1 . ]" 1
648 1 62 GLN HA 1 62 GLN QG 3.400 . 4.900 3.352 3.299 3.380 . 0 0 "[ . 1 . ]" 1
649 1 51 VAL HB 1 91 LEU H 4.100 . 6.000 5.297 5.115 5.450 . 0 0 "[ . 1 . ]" 1
650 1 59 LEU HA 1 62 GLN QG 3.100 . 4.300 2.737 2.370 3.116 . 0 0 "[ . 1 . ]" 1
651 1 55 THR H 1 56 GLY HA2 4.300 . 6.000 4.398 4.258 4.509 . 0 0 "[ . 1 . ]" 1
652 1 44 VAL H 1 44 VAL HB 3.600 . 5.200 3.599 3.515 3.640 . 0 0 "[ . 1 . ]" 1
653 1 18 LEU H 1 39 ASN HB2 4.000 . 6.000 5.929 5.844 5.993 . 0 0 "[ . 1 . ]" 1
654 1 87 CYS HB3 1 88 ARG QD 3.600 . 5.300 3.934 3.774 4.220 . 0 0 "[ . 1 . ]" 1
655 1 68 GLY HA2 1 70 SER QB 3.700 . 6.000 6.046 6.017 6.100 0.100 5 0 "[ . 1 . ]" 1
656 1 57 VAL HA 1 61 PHE HB3 3.900 . 5.800 5.150 4.532 5.555 . 0 0 "[ . 1 . ]" 1
657 1 36 GLN HA 1 36 GLN HG3 3.500 . 5.000 3.172 2.845 3.750 . 0 0 "[ . 1 . ]" 1
658 1 78 LEU H 1 78 LEU HB2 2.800 . 3.800 2.408 2.347 2.502 . 0 0 "[ . 1 . ]" 1
659 1 31 LEU HG 1 51 VAL H 3.400 . 4.900 4.540 4.439 4.609 . 0 0 "[ . 1 . ]" 1
660 1 67 LYS QE 1 67 LYS HG2 3.300 . 4.600 2.439 2.326 2.510 . 0 0 "[ . 1 . ]" 1
661 1 4 THR HA 1 84 GLN HB2 3.000 . 4.100 2.861 2.127 3.783 . 0 0 "[ . 1 . ]" 1
662 1 49 GLN HA 1 50 LEU H 3.300 . 4.700 3.486 3.465 3.505 . 0 0 "[ . 1 . ]" 1
663 1 69 LYS H 1 69 LYS QD 3.800 . 5.600 3.978 2.827 4.404 . 0 0 "[ . 1 . ]" 1
664 1 74 MET QB 1 75 GLU H 4.000 . 6.000 3.823 3.542 4.074 . 0 0 "[ . 1 . ]" 1
665 1 67 LYS HG3 1 90 MET H 4.700 . 6.000 6.130 6.104 6.156 0.156 12 0 "[ . 1 . ]" 1
666 1 58 PRO QG 1 61 PHE HB3 2.800 . 3.800 3.741 3.633 4.172 0.372 9 0 "[ . 1 . ]" 1
667 1 52 GLU HA 1 52 GLU HB2 3.000 . 4.100 2.406 2.311 3.025 . 0 0 "[ . 1 . ]" 1
668 1 9 GLN H 1 18 LEU HB3 3.700 . 5.400 5.597 5.530 5.668 0.268 18 0 "[ . 1 . ]" 1
669 1 50 LEU HA 1 50 LEU HG 3.100 . 4.300 3.077 3.045 3.111 . 0 0 "[ . 1 . ]" 1
670 1 65 ILE HA 1 65 ILE HG12 3.100 . 4.300 2.746 2.586 3.088 . 0 0 "[ . 1 . ]" 1
671 1 16 PRO HB3 1 16 PRO HD2 3.400 . 4.900 3.931 3.821 3.962 . 0 0 "[ . 1 . ]" 1
672 1 43 VAL HA 1 78 LEU HG 2.500 . 3.300 2.599 2.270 2.948 . 0 0 "[ . 1 . ]" 1
673 1 50 LEU H 1 50 LEU HA 2.900 . 3.900 2.792 2.781 2.802 . 0 0 "[ . 1 . ]" 1
674 1 88 ARG HA 1 88 ARG QD 3.400 . 4.900 3.610 3.531 3.741 . 0 0 "[ . 1 . ]" 1
675 1 85 ASN HA 1 86 GLY HA2 4.100 . 6.000 4.288 4.242 4.342 . 0 0 "[ . 1 . ]" 1
676 1 15 THR HA 1 15 THR HB 3.000 . 4.100 2.519 2.371 2.967 . 0 0 "[ . 1 . ]" 1
677 1 16 PRO HA 1 17 ARG HB2 3.400 . 4.800 4.140 3.893 4.304 . 0 0 "[ . 1 . ]" 1
678 1 13 MET HA 1 15 THR H 3.700 . 5.400 4.557 4.240 4.743 . 0 0 "[ . 1 . ]" 1
679 1 62 GLN HB2 1 62 GLN QG 2.800 . 3.700 2.116 2.096 2.146 . 0 0 "[ . 1 . ]" 1
680 1 71 LEU HA 1 76 THR H 4.200 . 6.000 6.103 6.045 6.206 0.206 10 0 "[ . 1 . ]" 1
681 1 49 GLN HA 1 49 GLN HG3 3.100 . 4.300 2.945 2.811 3.075 . 0 0 "[ . 1 . ]" 1
682 1 88 ARG HB2 1 88 ARG QD 3.600 . 5.200 2.625 2.064 3.485 . 0 0 "[ . 1 . ]" 1
683 1 62 GLN HA 1 93 GLY HA3 3.300 . 4.600 3.228 2.964 3.409 . 0 0 "[ . 1 . ]" 1
684 1 29 TYR HA 1 30 ASP QB 4.300 . 6.000 4.352 4.038 4.587 . 0 0 "[ . 1 . ]" 1
685 1 46 ASP H 1 81 LEU HB2 4.100 . 6.000 6.025 5.935 6.087 0.087 3 0 "[ . 1 . ]" 1
686 1 19 SER QB 1 86 GLY HA3 3.500 . 5.000 4.545 4.392 4.749 . 0 0 "[ . 1 . ]" 1
687 1 50 LEU HA 1 53 GLU H 3.300 . 4.600 3.612 3.526 3.713 . 0 0 "[ . 1 . ]" 1
688 1 65 ILE H 1 65 ILE HB 3.000 . 4.200 2.547 2.498 2.583 . 0 0 "[ . 1 . ]" 1
689 1 22 VAL HA 1 89 VAL HB 3.500 . 5.000 4.376 4.161 4.500 . 0 0 "[ . 1 . ]" 1
690 1 78 LEU HG 1 81 LEU HA 4.300 . 6.000 6.111 6.094 6.131 0.131 12 0 "[ . 1 . ]" 1
691 1 60 PRO HA 1 61 PHE H 3.300 . 4.600 3.460 3.420 3.522 . 0 0 "[ . 1 . ]" 1
692 1 3 LYS QD 1 84 GLN H 3.900 . 5.800 5.848 4.861 6.053 0.253 8 0 "[ . 1 . ]" 1
693 1 60 PRO HB2 1 60 PRO QD 3.000 . 4.100 2.825 2.732 3.432 . 0 0 "[ . 1 . ]" 1
694 1 31 LEU HA 1 31 LEU HG 3.800 . 5.600 3.638 3.601 3.658 . 0 0 "[ . 1 . ]" 1
695 1 62 GLN QG 1 63 LYS HA 3.400 . 4.900 3.980 3.241 4.167 . 0 0 "[ . 1 . ]" 1
696 1 66 PHE HA 1 67 LYS HG3 3.500 . 5.100 4.442 4.320 4.548 . 0 0 "[ . 1 . ]" 1
697 1 29 TYR QB 1 31 LEU HG 4.000 . 6.000 4.741 4.599 4.859 . 0 0 "[ . 1 . ]" 1
698 1 19 SER HA 1 33 VAL H 3.600 . 5.200 3.555 3.365 3.816 . 0 0 "[ . 1 . ]" 1
699 1 78 LEU HA 1 78 LEU HG 2.800 . 3.700 2.373 2.315 2.426 . 0 0 "[ . 1 . ]" 1
700 1 60 PRO HB3 1 60 PRO QD 3.900 . 5.800 3.496 3.306 3.513 . 0 0 "[ . 1 . ]" 1
701 1 89 VAL HA 1 89 VAL HB 2.800 . 3.800 2.548 2.517 2.611 . 0 0 "[ . 1 . ]" 1
702 1 9 GLN HB2 1 10 THR H 3.600 . 5.200 2.485 2.320 2.935 . 0 0 "[ . 1 . ]" 1
703 1 66 PHE HA 1 67 LYS HA 4.400 . 6.000 4.411 4.389 4.432 . 0 0 "[ . 1 . ]" 1
704 1 3 LYS QE 1 9 GLN HB2 3.600 . 5.200 5.189 4.891 5.299 0.099 11 0 "[ . 1 . ]" 1
705 1 13 MET H 1 13 MET HB3 4.000 . 6.000 3.601 3.564 3.626 . 0 0 "[ . 1 . ]" 1
706 1 16 PRO HD2 1 86 GLY HA2 4.400 . 6.000 6.150 6.090 6.210 0.210 6 0 "[ . 1 . ]" 1
707 1 24 HIS HA 1 91 LEU HB2 3.900 . 5.800 5.852 5.622 5.924 0.124 16 0 "[ . 1 . ]" 1
708 1 88 ARG HA 1 88 ARG HG2 3.600 . 5.200 3.677 3.621 3.761 . 0 0 "[ . 1 . ]" 1
709 1 22 VAL HB 1 89 VAL H 4.100 . 6.000 5.927 5.781 6.012 0.012 11 0 "[ . 1 . ]" 1
710 1 18 LEU HA 1 18 LEU HG 3.200 . 4.500 2.603 2.535 2.639 . 0 0 "[ . 1 . ]" 1
711 1 71 LEU HA 1 72 LYS H 3.000 . 4.100 2.137 2.052 2.272 . 0 0 "[ . 1 . ]" 1
712 1 44 VAL HB 1 76 THR HA 3.400 . 6.000 5.692 5.077 6.028 0.028 17 0 "[ . 1 . ]" 1
713 1 81 LEU HB2 1 81 LEU HG 3.000 . 4.100 2.541 2.496 2.570 . 0 0 "[ . 1 . ]" 1
714 1 52 GLU HA 1 62 GLN HE22 3.200 . 4.500 2.179 1.989 2.625 . 0 0 "[ . 1 . ]" 1
715 1 31 LEU HG 1 51 VAL HA 3.300 . 4.700 4.354 4.243 4.507 . 0 0 "[ . 1 . ]" 1
716 1 58 PRO QD 1 61 PHE HB3 3.100 . 4.300 3.745 3.265 4.191 . 0 0 "[ . 1 . ]" 1
717 1 58 PRO QG 1 61 PHE HA 4.200 . 6.000 4.392 4.073 4.738 . 0 0 "[ . 1 . ]" 1
718 1 67 LYS QE 1 69 LYS QE 4.000 . 6.000 4.132 3.527 4.526 . 0 0 "[ . 1 . ]" 1
719 1 81 LEU HA 1 81 LEU HB2 3.000 . 4.200 2.721 2.662 2.774 . 0 0 "[ . 1 . ]" 1
720 1 69 LYS QE 1 77 PRO HB2 3.600 . 5.200 4.357 3.837 5.230 0.030 14 0 "[ . 1 . ]" 1
721 1 18 LEU HG 1 84 GLN HA 3.600 . 5.200 4.513 4.068 4.802 . 0 0 "[ . 1 . ]" 1
722 1 67 LYS HA 1 67 LYS QE 4.500 . 6.000 5.478 5.409 5.531 . 0 0 "[ . 1 . ]" 1
723 1 78 LEU HG 1 81 LEU HB3 4.300 . 6.000 5.182 4.999 5.383 . 0 0 "[ . 1 . ]" 1
724 1 52 GLU HA 1 62 GLN HE21 3.800 . 5.600 3.455 3.140 3.800 . 0 0 "[ . 1 . ]" 1
725 1 65 ILE H 1 89 VAL HB 5.300 . 6.000 5.201 5.100 5.292 . 0 0 "[ . 1 . ]" 1
726 1 72 LYS HB2 1 75 GLU H 4.000 . 6.000 4.792 3.658 5.740 . 0 0 "[ . 1 . ]" 1
727 1 61 PHE HB3 1 62 GLN HB2 3.800 . 5.600 5.765 5.693 6.018 0.418 9 0 "[ . 1 . ]" 1
728 1 3 LYS QE 1 88 ARG H 3.700 . 5.400 4.767 4.542 5.092 . 0 0 "[ . 1 . ]" 1
729 1 78 LEU HA 1 81 LEU HB3 4.500 . 6.000 3.538 3.383 3.794 . 0 0 "[ . 1 . ]" 1
730 1 8 VAL H 1 9 GLN HB2 4.400 . 6.000 4.288 3.847 5.730 . 0 0 "[ . 1 . ]" 1
731 1 46 ASP HA 1 49 GLN HB3 2.900 . 3.900 1.996 1.874 2.339 0.026 16 0 "[ . 1 . ]" 1
732 1 81 LEU HA 1 81 LEU HG 3.900 . 5.800 3.627 3.577 3.677 . 0 0 "[ . 1 . ]" 1
733 1 24 HIS HA 1 25 SER HA 4.900 . 6.000 4.388 4.326 4.430 . 0 0 "[ . 1 . ]" 1
734 1 46 ASP H 1 81 LEU HB3 4.300 . 6.000 5.579 5.449 5.698 . 0 0 "[ . 1 . ]" 1
735 1 8 VAL HA 1 11 GLU QG 5.000 . 6.000 5.723 5.349 6.025 0.025 14 0 "[ . 1 . ]" 1
736 1 39 ASN HB2 1 40 SER HA 3.600 . 5.200 4.441 4.225 4.864 . 0 0 "[ . 1 . ]" 1
737 1 16 PRO HD3 1 40 SER HA 4.300 . 6.000 4.412 4.052 4.810 . 0 0 "[ . 1 . ]" 1
738 1 24 HIS H 1 27 GLU HB3 3.300 . 4.600 2.667 2.327 2.974 . 0 0 "[ . 1 . ]" 1
739 1 14 GLU H 1 36 GLN HA 2.600 . 6.000 5.971 5.673 6.089 0.089 16 0 "[ . 1 . ]" 1
740 1 66 PHE HA 1 89 VAL HA 4.700 . 6.000 4.057 3.985 4.105 . 0 0 "[ . 1 . ]" 1
741 1 14 GLU H 1 36 GLN HG2 2.600 . 6.000 5.817 5.286 6.423 0.423 16 0 "[ . 1 . ]" 1
742 1 82 GLY HA3 1 86 GLY HA2 3.300 . 6.000 4.897 4.844 4.950 . 0 0 "[ . 1 . ]" 1
743 1 67 LYS HA 1 67 LYS QD 4.500 . 6.000 4.266 4.219 4.306 . 0 0 "[ . 1 . ]" 1
744 1 24 HIS HB2 1 91 LEU HB2 4.200 . 6.000 4.993 4.618 5.197 . 0 0 "[ . 1 . ]" 1
745 1 9 GLN HB3 1 17 ARG QG 3.900 . 5.800 4.628 4.359 5.636 . 0 0 "[ . 1 . ]" 1
746 1 46 ASP QB 1 67 LYS HE3 4.400 . 6.000 4.750 4.605 5.202 . 0 0 "[ . 1 . ]" 1
747 1 42 PRO HA 1 43 VAL HB 4.700 . 6.000 5.779 5.751 5.812 . 0 0 "[ . 1 . ]" 1
748 1 54 ALA H 1 95 LYS QE 4.200 . 6.000 4.743 4.338 5.163 . 0 0 "[ . 1 . ]" 1
749 1 47 LEU QB 1 48 ALA HA 3.500 . 6.000 4.507 4.277 4.754 . 0 0 "[ . 1 . ]" 1
750 1 58 PRO QD 1 95 LYS HA 4.500 . 6.000 5.789 5.279 6.055 0.055 17 0 "[ . 1 . ]" 1
751 1 31 LEU HA 1 32 LEU HB3 4.000 . 6.000 4.124 3.988 4.255 . 0 0 "[ . 1 . ]" 1
752 1 51 VAL HA 1 95 LYS QD 5.000 . 6.000 5.680 4.518 5.940 . 0 0 "[ . 1 . ]" 1
753 1 24 HIS HB3 1 25 SER HB2 3.800 . 5.600 5.186 4.364 5.485 . 0 0 "[ . 1 . ]" 1
754 1 62 GLN QG 1 71 LEU HA 4.400 . 6.000 6.078 5.858 6.177 0.177 10 0 "[ . 1 . ]" 1
755 1 18 LEU HB3 1 86 GLY HA2 3.100 . 4.300 2.779 2.563 3.517 . 0 0 "[ . 1 . ]" 1
756 1 72 LYS H 1 72 LYS HB2 3.400 . 4.800 3.188 2.849 3.511 . 0 0 "[ . 1 . ]" 1
757 1 61 PHE HA 1 62 GLN HA 3.600 . 5.200 4.449 4.330 4.528 . 0 0 "[ . 1 . ]" 1
758 1 59 LEU QB 1 71 LEU QB 3.500 . 5.000 4.634 4.334 4.768 . 0 0 "[ . 1 . ]" 1
759 1 51 VAL HA 1 91 LEU H 4.500 . 6.000 4.868 4.755 5.034 . 0 0 "[ . 1 . ]" 1
760 1 65 ILE HG12 1 70 SER QB 3.600 . 5.300 3.843 3.093 4.865 . 0 0 "[ . 1 . ]" 1
761 1 16 PRO HD3 1 18 LEU HB2 2.700 . 3.600 3.479 3.140 3.639 0.039 18 0 "[ . 1 . ]" 1
762 1 62 GLN HB3 1 91 LEU HB2 4.500 . 6.000 3.288 3.085 3.735 . 0 0 "[ . 1 . ]" 1
763 1 48 ALA HA 1 64 LEU QB 4.200 . 6.000 3.085 2.882 3.421 . 0 0 "[ . 1 . ]" 1
764 1 58 PRO HA 1 60 PRO QD 4.600 . 6.000 3.571 3.446 3.640 . 0 0 "[ . 1 . ]" 1
765 1 16 PRO HD3 1 41 GLU H 4.500 . 6.000 5.724 5.258 6.013 0.013 6 0 "[ . 1 . ]" 1
766 1 52 GLU HB3 1 59 LEU HA 4.400 . 6.000 5.600 5.105 6.003 0.003 13 0 "[ . 1 . ]" 1
767 1 21 ILE HB 1 90 MET QB 3.800 . 5.600 5.282 4.919 5.612 0.012 12 0 "[ . 1 . ]" 1
768 1 9 GLN HB3 1 17 ARG HB2 4.100 . 6.000 4.572 4.331 5.351 . 0 0 "[ . 1 . ]" 1
769 1 49 GLN HA 1 52 GLU HB2 4.500 . 6.000 3.668 2.514 3.948 . 0 0 "[ . 1 . ]" 1
770 1 6 GLU QG 1 85 ASN QB 4.500 . 6.000 3.833 3.479 3.995 . 0 0 "[ . 1 . ]" 1
771 1 43 VAL HA 1 78 LEU HB2 4.900 . 6.000 4.405 4.263 4.569 . 0 0 "[ . 1 . ]" 1
772 1 10 THR HB 1 32 LEU HA 3.900 . 5.800 3.380 3.104 3.666 . 0 0 "[ . 1 . ]" 1
773 1 47 LEU QB 1 66 PHE QB 4.400 . 6.000 4.930 4.593 5.174 . 0 0 "[ . 1 . ]" 1
774 1 25 SER HB3 1 27 GLU HB3 3.500 . 5.000 4.728 4.113 5.770 0.770 14 2 "[ - 1 +. ]" 1
775 1 92 ILE HA 1 93 GLY HA3 4.400 . 6.000 4.337 4.305 4.391 . 0 0 "[ . 1 . ]" 1
776 1 4 THR H 1 4 THR HB 3.800 . 5.600 3.290 2.756 3.845 . 0 0 "[ . 1 . ]" 1
777 1 22 VAL HA 1 90 MET HA 4.100 . 6.000 3.310 3.069 3.505 . 0 0 "[ . 1 . ]" 1
778 1 84 GLN HA 1 85 ASN QB 4.600 . 6.000 4.935 4.872 5.012 . 0 0 "[ . 1 . ]" 1
779 1 42 PRO QB 1 43 VAL HA 3.900 . 5.800 4.444 4.406 4.488 . 0 0 "[ . 1 . ]" 1
780 1 62 GLN HA 1 63 LYS HB2 4.400 . 6.000 4.591 4.241 4.824 . 0 0 "[ . 1 . ]" 1
781 1 55 THR HB 1 56 GLY H 4.000 . 6.000 3.897 3.325 4.398 . 0 0 "[ . 1 . ]" 1
782 1 25 SER HB3 1 27 GLU HB3 3.900 . 5.800 4.653 4.072 5.645 . 0 0 "[ . 1 . ]" 1
783 1 66 PHE H 1 89 VAL HA 4.500 . 6.000 4.133 3.992 4.257 . 0 0 "[ . 1 . ]" 1
784 1 14 GLU HA 1 15 THR H 3.900 . 5.800 3.396 3.195 3.452 . 0 0 "[ . 1 . ]" 1
785 1 35 PRO HB3 1 35 PRO QD 3.600 . 5.200 2.909 2.826 3.500 . 0 0 "[ . 1 . ]" 1
786 1 49 GLN HA 1 52 GLU QG 4.000 . 6.000 3.883 3.063 4.299 . 0 0 "[ . 1 . ]" 1
787 1 34 THR HB 1 81 LEU HG 5.100 . 6.000 5.530 5.361 5.696 . 0 0 "[ . 1 . ]" 1
788 1 19 SER HA 1 20 VAL HB 4.600 . 6.000 4.497 4.255 5.347 . 0 0 "[ . 1 . ]" 1
789 1 82 GLY HA2 1 86 GLY HA2 4.200 . 6.000 6.151 6.124 6.185 0.185 6 0 "[ . 1 . ]" 1
790 1 72 LYS HB2 1 76 THR H 5.200 . 6.000 5.681 4.950 6.425 0.425 6 0 "[ . 1 . ]" 1
791 1 3 LYS QE 1 86 GLY HA3 3.800 . 5.600 3.808 3.537 4.220 . 0 0 "[ . 1 . ]" 1
792 1 67 LYS HG3 1 68 GLY HA2 4.300 . 6.000 6.016 5.767 6.074 0.074 11 0 "[ . 1 . ]" 1
793 1 21 ILE HB 1 89 VAL H 3.800 . 5.600 3.427 3.039 4.475 . 0 0 "[ . 1 . ]" 1
794 1 6 GLU HA 1 85 ASN H 5.100 . 6.000 5.352 5.058 5.738 . 0 0 "[ . 1 . ]" 1
795 1 3 LYS HE2 1 88 ARG QD 3.600 . 5.200 4.390 3.467 4.680 . 0 0 "[ . 1 . ]" 1
796 1 50 LEU HA 1 51 VAL HB 4.400 . 6.000 5.478 5.447 5.502 . 0 0 "[ . 1 . ]" 1
797 1 7 MET QG 1 18 LEU HB2 5.400 . 6.000 4.865 4.612 5.125 . 0 0 "[ . 1 . ]" 1
798 1 30 ASP HA 1 31 LEU QB 4.300 . 6.000 3.860 3.672 4.044 . 0 0 "[ . 1 . ]" 1
799 1 59 LEU HA 1 60 PRO QD 4.200 . 6.000 3.593 3.575 3.617 . 0 0 "[ . 1 . ]" 1
800 1 51 VAL HB 1 67 LYS QE 4.500 . 6.000 6.077 6.008 6.173 0.173 18 0 "[ . 1 . ]" 1
801 1 89 VAL HA 1 90 MET QB 4.300 . 6.000 4.272 4.181 4.348 . 0 0 "[ . 1 . ]" 1
802 1 24 HIS HB3 1 93 GLY H 4.400 . 6.000 5.693 5.147 5.968 . 0 0 "[ . 1 . ]" 1
803 1 33 VAL HA 1 34 THR HB 4.800 . 6.000 4.820 4.754 4.898 . 0 0 "[ . 1 . ]" 1
804 1 33 VAL HA 1 42 PRO QG 4.500 . 6.000 4.087 3.545 4.504 . 0 0 "[ . 1 . ]" 1
805 1 12 GLU HA 1 13 MET HG3 4.500 . 6.000 4.631 3.917 5.931 . 0 0 "[ . 1 . ]" 1
806 1 21 ILE HB 1 88 ARG QD 4.400 . 6.000 5.029 4.381 6.023 0.023 12 0 "[ . 1 . ]" 1
807 1 88 ARG HA 1 89 VAL HB 4.700 . 6.000 5.735 5.674 5.762 . 0 0 "[ . 1 . ]" 1
808 1 67 LYS HA 1 88 ARG QD 2.900 . 6.000 4.827 3.739 5.108 . 0 0 "[ . 1 . ]" 1
809 1 62 GLN HA 1 64 LEU QB 5.200 . 6.000 5.651 5.498 5.778 . 0 0 "[ . 1 . ]" 1
810 1 47 LEU HA 1 67 LYS HG3 4.700 . 6.000 4.990 4.791 5.325 . 0 0 "[ . 1 . ]" 1
811 1 60 PRO HG2 1 61 PHE HB2 5.300 . 6.000 5.643 4.839 5.830 . 0 0 "[ . 1 . ]" 1
812 1 15 THR HB 1 16 PRO HD2 4.100 . 6.000 2.758 2.398 3.784 . 0 0 "[ . 1 . ]" 1
813 1 51 VAL HA 1 91 LEU HB3 4.700 . 6.000 4.430 4.315 4.632 . 0 0 "[ . 1 . ]" 1
814 1 31 LEU HG 1 51 VAL HB 4.500 . 6.000 6.116 6.072 6.163 0.163 6 0 "[ . 1 . ]" 1
815 1 65 ILE HB 1 89 VAL HA 4.800 . 6.000 6.130 6.114 6.159 0.159 2 0 "[ . 1 . ]" 1
816 1 66 PHE HA 1 67 LYS HG2 4.400 . 6.000 4.427 4.278 4.557 . 0 0 "[ . 1 . ]" 1
817 1 33 VAL HB 1 86 GLY H 4.600 . 6.000 3.436 3.060 5.020 . 0 0 "[ . 1 . ]" 1
818 1 37 GLN QG 1 46 ASP H 5.400 . 6.000 5.797 5.578 5.964 . 0 0 "[ . 1 . ]" 1
819 1 3 LYS HA 1 5 GLU H 4.300 . 6.000 4.177 3.237 4.831 . 0 0 "[ . 1 . ]" 1
820 1 25 SER HB2 1 27 GLU HB3 4.900 . 6.000 5.065 3.565 6.390 0.390 16 0 "[ . 1 . ]" 1
821 1 82 GLY HA2 1 84 GLN H 4.100 . 6.000 4.287 4.241 4.428 . 0 0 "[ . 1 . ]" 1
822 1 28 ARG H 1 95 LYS QE 3.000 . 6.000 6.053 5.996 6.146 0.146 8 0 "[ . 1 . ]" 1
823 1 51 VAL HA 1 90 MET QB 5.000 . 6.000 6.255 6.204 6.323 0.323 11 0 "[ . 1 . ]" 1
824 1 9 GLN HA 1 9 GLN QG 4.100 . 6.000 2.567 2.212 2.864 . 0 0 "[ . 1 . ]" 1
825 1 43 VAL HA 1 44 VAL HA 4.400 . 6.000 4.345 4.306 4.379 . 0 0 "[ . 1 . ]" 1
826 1 24 HIS HB2 1 93 GLY H 3.900 . 5.800 4.448 3.601 4.827 . 0 0 "[ . 1 . ]" 1
827 1 23 THR HA 1 24 HIS HB3 4.400 . 6.000 4.281 4.035 4.544 . 0 0 "[ . 1 . ]" 1
828 1 67 LYS HG3 1 69 LYS QE 4.900 . 6.000 4.879 4.411 5.240 . 0 0 "[ . 1 . ]" 1
829 1 61 PHE HB3 1 62 GLN HB3 3.900 . 5.800 4.315 4.194 4.611 . 0 0 "[ . 1 . ]" 1
830 1 12 GLU HG2 1 35 PRO HD2 4.100 . 6.000 3.913 2.970 5.238 . 0 0 "[ . 1 . ]" 1
831 1 47 LEU HA 1 69 LYS QE 5.100 . 6.000 5.902 5.277 6.084 0.084 8 0 "[ . 1 . ]" 1
832 1 8 VAL HA 1 16 PRO QG 4.700 . 6.000 5.554 5.041 5.876 . 0 0 "[ . 1 . ]" 1
833 1 93 GLY HA3 1 94 GLU HB2 4.600 . 6.000 4.282 3.843 4.517 . 0 0 "[ . 1 . ]" 1
834 1 21 ILE QG 1 88 ARG HA 5.400 . 6.000 2.982 2.312 3.189 . 0 0 "[ . 1 . ]" 1
835 1 16 PRO HD2 1 40 SER HA 4.300 . 6.000 4.933 4.493 5.320 . 0 0 "[ . 1 . ]" 1
836 1 32 LEU H 1 49 GLN HG2 5.000 . 6.000 6.081 6.044 6.123 0.123 12 0 "[ . 1 . ]" 1
837 1 23 THR HA 1 27 GLU HB3 4.500 . 6.000 3.866 3.652 4.180 . 0 0 "[ . 1 . ]" 1
838 1 16 PRO QG 1 40 SER HB3 4.400 . 6.000 4.083 3.272 4.513 . 0 0 "[ . 1 . ]" 1
839 1 6 GLU HB2 1 7 MET HA 4.900 . 6.000 4.161 3.691 4.659 . 0 0 "[ . 1 . ]" 1
840 1 7 MET HG2 1 85 ASN HB2 5.300 . 6.000 3.743 3.489 3.956 . 0 0 "[ . 1 . ]" 1
841 1 26 ASN HB3 1 28 ARG QB 4.400 . 6.000 5.914 4.869 6.604 0.604 14 1 "[ . 1 +. ]" 1
842 1 66 PHE H 1 67 LYS QE 4.500 . 6.000 5.010 4.968 5.068 . 0 0 "[ . 1 . ]" 1
843 1 24 HIS HB2 1 95 LYS QE 4.500 . 6.000 2.723 2.487 3.514 . 0 0 "[ . 1 . ]" 1
844 1 7 MET QG 1 16 PRO HA 5.600 . 6.000 6.032 5.402 6.118 0.118 12 0 "[ . 1 . ]" 1
845 1 57 VAL HA 1 96 SER QB 4.300 . 6.000 3.817 2.088 4.790 . 0 0 "[ . 1 . ]" 1
846 1 58 PRO HB3 1 59 LEU HA 5.500 . 6.000 5.912 5.873 5.972 . 0 0 "[ . 1 . ]" 1
847 1 40 SER QB 1 42 PRO QG 4.800 . 6.000 5.885 5.593 6.049 0.049 4 0 "[ . 1 . ]" 1
848 1 51 VAL HA 1 53 GLU H 4.200 . 6.000 4.664 4.519 4.768 . 0 0 "[ . 1 . ]" 1
849 1 31 LEU HG 1 50 LEU HB2 5.100 . 6.000 4.449 4.220 4.597 . 0 0 "[ . 1 . ]" 1
850 1 16 PRO QG 1 84 GLN H 5.100 . 6.000 5.619 5.438 5.931 . 0 0 "[ . 1 . ]" 1
851 1 67 LYS HG2 1 89 VAL H 4.800 . 6.000 5.351 5.199 5.519 . 0 0 "[ . 1 . ]" 1
852 1 56 GLY H 1 57 VAL HA 5.100 . 6.000 4.978 4.767 5.133 . 0 0 "[ . 1 . ]" 1
853 1 78 LEU HB2 1 81 LEU HB2 5.200 . 6.000 4.507 4.330 4.619 . 0 0 "[ . 1 . ]" 1
854 1 51 VAL HA 1 64 LEU QB 5.200 . 6.000 4.619 4.527 4.753 . 0 0 "[ . 1 . ]" 1
855 1 24 HIS HB2 1 27 GLU HB3 5.000 . 6.000 4.234 3.795 4.890 . 0 0 "[ . 1 . ]" 1
856 1 69 LYS QE 1 81 LEU HG 5.500 . 6.000 4.133 3.916 4.517 . 0 0 "[ . 1 . ]" 1
857 1 45 GLN HB2 1 47 LEU H 4.800 . 6.000 5.478 5.299 6.350 0.350 10 0 "[ . 1 . ]" 1
858 1 69 LYS QE 1 80 ALA HA 4.800 . 6.000 4.640 3.687 5.460 . 0 0 "[ . 1 . ]" 1
859 1 10 THR HB 1 32 LEU HB3 5.700 . 6.000 3.993 3.065 4.274 . 0 0 "[ . 1 . ]" 1
860 1 67 LYS H 1 67 LYS HG3 4.100 . 6.000 3.790 3.684 3.882 . 0 0 "[ . 1 . ]" 1
861 1 3 LYS QD 1 88 ARG HD2 4.100 . 6.000 2.855 1.961 4.073 0.039 2 0 "[ . 1 . ]" 1
862 1 91 LEU HB2 1 95 LYS QE 3.200 . 6.000 5.343 5.183 5.565 . 0 0 "[ . 1 . ]" 1
863 1 47 LEU QB 1 67 LYS HB2 5.300 . 6.000 5.096 4.902 5.302 . 0 0 "[ . 1 . ]" 1
864 1 58 PRO HB2 1 61 PHE HB3 5.100 . 6.000 5.921 5.773 6.516 0.516 9 1 "[ . +1 . ]" 1
865 1 64 LEU QB 1 91 LEU HB2 4.700 . 6.000 3.614 3.511 3.715 . 0 0 "[ . 1 . ]" 1
866 1 63 LYS HA 1 65 ILE HG12 4.600 . 6.000 5.414 4.548 5.923 . 0 0 "[ . 1 . ]" 1
867 1 94 GLU H 1 95 LYS QG 4.800 . 6.000 4.993 4.744 5.329 . 0 0 "[ . 1 . ]" 1
868 1 36 GLN HA 1 38 GLY H 4.700 . 6.000 4.959 3.505 5.911 . 0 0 "[ . 1 . ]" 1
869 1 71 LEU QB 1 75 GLU QG 4.400 . 6.000 5.162 3.998 5.496 . 0 0 "[ . 1 . ]" 1
870 1 7 MET HA 1 18 LEU HB2 6.000 . 6.000 5.155 4.994 5.291 . 0 0 "[ . 1 . ]" 1
871 1 58 PRO HB3 1 62 GLN HE21 5.300 . 6.000 6.020 5.935 6.114 0.114 17 0 "[ . 1 . ]" 1
872 1 34 THR HA 1 35 PRO QG 5.900 . 6.000 3.720 3.578 3.791 . 0 0 "[ . 1 . ]" 1
873 1 62 GLN HB3 1 63 LYS H 5.600 . 6.000 4.059 3.620 4.270 . 0 0 "[ . 1 . ]" 1
874 1 7 MET QB 1 85 ASN QB 5.400 . 6.000 4.055 3.782 4.259 . 0 0 "[ . 1 . ]" 1
875 1 51 VAL HA 1 54 ALA HA 5.500 . 6.000 5.709 5.604 5.823 . 0 0 "[ . 1 . ]" 1
876 1 29 TYR QB 1 95 LYS QE 5.400 . 6.000 3.964 3.068 4.421 . 0 0 "[ . 1 . ]" 1
877 1 8 VAL H 1 8 VAL HB 4.500 . 6.000 3.762 3.532 3.891 . 0 0 "[ . 1 . ]" 1
878 1 69 LYS HA 1 69 LYS QE 5.200 . 6.000 4.479 3.830 5.043 . 0 0 "[ . 1 . ]" 1
879 1 67 LYS HG2 1 69 LYS QG 5.700 . 6.000 4.848 3.770 5.321 . 0 0 "[ . 1 . ]" 1
880 1 42 PRO QG 1 84 GLN H 4.700 . 6.000 4.685 4.491 5.015 . 0 0 "[ . 1 . ]" 1
881 1 45 GLN HB2 1 46 ASP H 4.400 . 6.000 3.067 2.855 4.384 . 0 0 "[ . 1 . ]" 1
882 1 46 ASP HB3 1 49 GLN HG2 5.600 . 6.000 6.135 6.021 6.526 0.526 18 1 "[ . 1 . +]" 1
883 1 18 LEU HB3 1 33 VAL HA 5.200 . 6.000 4.693 4.546 5.008 . 0 0 "[ . 1 . ]" 1
884 1 17 ARG QD 1 85 ASN HB3 3.400 . 6.000 6.128 5.946 6.324 0.324 14 0 "[ . 1 . ]" 1
885 1 31 LEU QB 1 53 GLU QG 6.000 . 6.000 4.817 4.358 5.161 . 0 0 "[ . 1 . ]" 1
886 1 66 PHE HA 1 67 LYS HB3 5.600 . 6.000 5.504 5.311 5.617 . 0 0 "[ . 1 . ]" 1
887 1 50 LEU HG 1 51 VAL HB 5.800 . 6.000 5.954 5.757 6.043 0.043 9 0 "[ . 1 . ]" 1
888 1 7 MET HA 1 19 SER H 5.900 . 6.000 4.768 4.565 4.895 . 0 0 "[ . 1 . ]" 1
889 1 11 GLU HA 1 17 ARG H 4.200 . 6.000 2.547 2.008 2.866 . 0 0 "[ . 1 . ]" 1
890 1 37 GLN HB3 1 40 SER QB 5.000 . 6.000 6.005 5.895 6.152 0.152 2 0 "[ . 1 . ]" 1
891 1 50 LEU HB2 1 51 VAL HA 4.800 . 6.000 4.288 4.172 4.354 . 0 0 "[ . 1 . ]" 1
892 1 69 LYS HA 1 75 GLU QB 5.600 . 6.000 5.289 4.456 5.743 . 0 0 "[ . 1 . ]" 1
893 1 8 VAL HA 1 11 GLU HB2 6.000 . 6.000 5.140 4.475 5.678 . 0 0 "[ . 1 . ]" 1
894 1 9 GLN QG 1 85 ASN HB2 4.600 . 6.000 3.069 2.511 3.548 . 0 0 "[ . 1 . ]" 1
895 1 91 LEU HG 1 95 LYS QG 4.500 . 6.000 3.273 3.011 3.972 . 0 0 "[ . 1 . ]" 1
896 1 8 VAL HA 1 9 GLN HA 4.900 . 6.000 4.352 4.268 4.437 . 0 0 "[ . 1 . ]" 1
897 1 32 LEU H 1 49 GLN HG3 6.000 . 6.000 5.742 5.435 6.035 0.035 4 0 "[ . 1 . ]" 1
898 1 7 MET HA 1 18 LEU HG 4.700 . 6.000 3.135 2.776 3.457 . 0 0 "[ . 1 . ]" 1
899 1 31 LEU HG 1 95 LYS QE 5.600 . 6.000 6.113 6.047 6.175 0.175 9 0 "[ . 1 . ]" 1
900 1 31 LEU QB 1 50 LEU HA 5.700 . 6.000 2.829 2.674 2.985 . 0 0 "[ . 1 . ]" 1
901 1 69 LYS QE 1 78 LEU HG 5.900 . 6.000 5.463 4.965 6.002 0.002 5 0 "[ . 1 . ]" 1
902 1 7 MET QB 1 84 GLN H 6.000 . 6.000 5.925 5.590 6.067 0.067 16 0 "[ . 1 . ]" 1
903 1 37 GLN HB2 1 42 PRO HA 4.400 . 6.000 2.802 2.298 3.123 . 0 0 "[ . 1 . ]" 1
904 1 29 TYR QB 1 53 GLU QG 6.000 . 6.000 5.631 5.098 5.792 . 0 0 "[ . 1 . ]" 1
905 1 52 GLU HB2 1 59 LEU HA 4.800 . 6.000 4.055 3.495 5.869 . 0 0 "[ . 1 . ]" 1
906 1 6 GLU HB3 1 18 LEU HG 6.000 . 6.000 6.062 5.407 6.488 0.488 6 0 "[ . 1 . ]" 1
907 1 3 LYS QD 1 86 GLY HA2 5.700 . 6.000 5.929 5.473 6.054 0.054 14 0 "[ . 1 . ]" 1
908 1 62 GLN QG 1 95 LYS QE 3.700 . 6.000 5.974 5.852 6.033 0.033 4 0 "[ . 1 . ]" 1
909 1 7 MET QB 1 85 ASN HA 6.000 . 6.000 4.458 4.090 4.592 . 0 0 "[ . 1 . ]" 1
910 1 9 GLN HB3 1 19 SER HA 5.800 . 6.000 4.845 4.511 5.088 . 0 0 "[ . 1 . ]" 1
911 1 9 GLN HB3 1 19 SER H 4.100 . 6.000 4.043 3.614 4.677 . 0 0 "[ . 1 . ]" 1
912 1 3 LYS QE 1 86 GLY HA2 5.500 . 6.000 4.933 4.706 5.262 . 0 0 "[ . 1 . ]" 1
913 1 25 SER H 1 95 LYS QE 3.700 . 6.000 6.038 5.883 6.114 0.114 11 0 "[ . 1 . ]" 1
914 1 69 LYS H 1 69 LYS QE 6.000 . 6.000 5.341 4.879 5.695 . 0 0 "[ . 1 . ]" 1
915 1 3 LYS QB 1 4 THR H 5.300 . 6.000 3.474 2.427 3.828 . 0 0 "[ . 1 . ]" 1
916 1 51 VAL HA 1 95 LYS QE 6.000 . 6.000 3.740 3.388 4.016 . 0 0 "[ . 1 . ]" 1
917 1 3 LYS QE 1 7 MET QG 6.000 . 6.000 6.077 6.010 6.144 0.144 12 0 "[ . 1 . ]" 1
918 1 40 SER QB 1 84 GLN HA 5.400 . 6.000 6.007 5.613 6.123 0.123 12 0 "[ . 1 . ]" 1
919 1 39 ASN QB 1 40 SER QB 3.900 . 5.800 4.860 4.265 5.266 . 0 0 "[ . 1 . ]" 1
920 1 26 ASN QB 1 27 GLU QG 3.900 . 5.800 5.666 5.231 5.980 0.180 14 0 "[ . 1 . ]" 1
921 1 84 GLN HB3 1 87 CYS HA 5.100 . 6.000 4.659 4.230 4.911 . 0 0 "[ . 1 . ]" 1
922 1 7 MET QG 1 8 VAL HA 5.900 . 6.000 5.486 5.081 5.679 . 0 0 "[ . 1 . ]" 1
923 1 14 GLU HB2 1 35 PRO HA 6.000 . 6.000 4.093 3.783 4.414 . 0 0 "[ . 1 . ]" 1
924 1 3 LYS QE 1 88 ARG HD2 5.500 . 6.000 4.209 3.425 4.511 . 0 0 "[ . 1 . ]" 1
925 1 44 VAL HA 1 75 GLU HA 6.000 . 6.000 6.054 6.007 6.094 0.094 9 0 "[ . 1 . ]" 1
926 1 94 GLU QG 1 96 SER H 5.300 . 6.000 3.830 2.293 5.462 . 0 0 "[ . 1 . ]" 1
927 1 26 ASN H 1 90 MET QB 4.000 . 6.000 6.031 5.701 6.087 0.087 5 0 "[ . 1 . ]" 1
928 1 69 LYS QE 1 81 LEU HA 4.800 . 6.000 1.863 1.803 2.086 0.097 7 0 "[ . 1 . ]" 1
929 1 40 SER QB 1 84 GLN H 6.000 . 6.000 5.690 5.123 5.915 . 0 0 "[ . 1 . ]" 1
930 1 16 PRO QG 1 85 ASN H 6.000 . 6.000 6.007 5.822 6.075 0.075 12 0 "[ . 1 . ]" 1
931 1 3 LYS QE 1 88 ARG HA 5.700 . 6.000 4.161 3.897 4.605 . 0 0 "[ . 1 . ]" 1
932 1 33 VAL HB 1 84 GLN H 6.000 . 6.000 6.074 6.005 6.233 0.233 11 0 "[ . 1 . ]" 1
933 1 33 VAL HB 1 39 ASN HA 6.000 . 6.000 5.876 4.954 6.048 0.048 18 0 "[ . 1 . ]" 1
934 1 9 GLN HA 1 17 ARG QG 5.500 . 6.000 3.264 3.027 4.522 . 0 0 "[ . 1 . ]" 1
935 1 70 SER HA 1 75 GLU QB 4.100 . 6.000 5.841 5.548 6.039 0.039 7 0 "[ . 1 . ]" 1
936 1 16 PRO QG 1 41 GLU H 6.000 . 6.000 5.089 4.535 5.596 . 0 0 "[ . 1 . ]" 1
937 1 69 LYS QE 1 78 LEU HA 6.000 . 6.000 3.913 3.482 4.249 . 0 0 "[ . 1 . ]" 1
938 1 6 GLU HB3 1 19 SER H 6.000 . 6.000 5.590 5.436 5.783 . 0 0 "[ . 1 . ]" 1
939 1 7 MET QB 1 18 LEU HA 6.000 . 6.000 5.232 4.541 5.488 . 0 0 "[ . 1 . ]" 1
940 1 27 GLU QG 1 29 TYR QB 6.000 . 6.000 4.794 4.386 5.746 . 0 0 "[ . 1 . ]" 1
941 1 57 VAL H 1 96 SER QB 4.500 . 6.000 5.611 4.416 6.035 0.035 13 0 "[ . 1 . ]" 1
942 1 4 THR HA 1 88 ARG QD 6.000 . 6.000 5.971 5.632 6.076 0.076 10 0 "[ . 1 . ]" 1
943 1 31 LEU HA 1 53 GLU QB 6.000 . 6.000 4.890 4.686 5.113 . 0 0 "[ . 1 . ]" 1
944 1 58 PRO HB3 1 62 GLN HE22 6.000 . 6.000 5.614 5.380 5.709 . 0 0 "[ . 1 . ]" 1
945 1 62 GLN QG 1 95 LYS HE2 4.700 . 6.000 6.097 5.931 6.173 0.173 4 0 "[ . 1 . ]" 1
946 1 21 ILE QG 1 87 CYS HB3 6.000 . 6.000 6.034 5.720 6.573 0.573 13 3 "[ .- 1 + . * ]" 1
947 1 16 PRO QG 1 39 ASN HA 6.000 . 6.000 3.604 3.387 3.854 . 0 0 "[ . 1 . ]" 1
948 1 3 LYS QE 1 4 THR H 6.000 . 6.000 5.345 4.010 5.737 . 0 0 "[ . 1 . ]" 1
949 1 9 GLN HA 1 85 ASN QB 6.000 . 6.000 4.718 4.485 4.891 . 0 0 "[ . 1 . ]" 1
950 1 44 VAL HA 1 69 LYS QE 6.000 . 6.000 4.394 3.802 5.347 . 0 0 "[ . 1 . ]" 1
951 1 86 GLY HA2 1 87 CYS HB3 6.000 . 6.000 4.691 4.537 4.973 . 0 0 "[ . 1 . ]" 1
952 1 95 LYS QG 1 96 SER H 6.000 . 6.000 4.443 4.270 4.805 . 0 0 "[ . 1 . ]" 1
953 1 24 HIS HB3 1 95 LYS QE 6.000 . 6.000 2.783 2.235 3.531 . 0 0 "[ . 1 . ]" 1
954 1 14 GLU HA 1 35 PRO HB3 6.000 . 6.000 4.454 3.864 4.646 . 0 0 "[ . 1 . ]" 1
955 1 28 ARG QD 1 31 LEU QB 6.000 . 6.000 5.634 5.149 5.811 . 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 22
_Distance_constraint_stats_list.Viol_count 181
_Distance_constraint_stats_list.Viol_total 437.189
_Distance_constraint_stats_list.Viol_max 0.345
_Distance_constraint_stats_list.Viol_rms 0.0863
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0613
_Distance_constraint_stats_list.Viol_average_violations_only 0.1342
_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 18 LEU 2.478 0.238 5 0 "[ . 1 . ]"
1 20 VAL 0.818 0.111 14 0 "[ . 1 . ]"
1 21 ILE 1.122 0.131 12 0 "[ . 1 . ]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 23 THR 2.688 0.163 15 0 "[ . 1 . ]"
1 24 HIS 0.494 0.099 10 0 "[ . 1 . ]"
1 27 GLU 0.494 0.099 10 0 "[ . 1 . ]"
1 29 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 31 LEU 0.818 0.111 14 0 "[ . 1 . ]"
1 33 VAL 2.478 0.238 5 0 "[ . 1 . ]"
1 45 GLN 1.874 0.140 14 0 "[ . 1 . ]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 47 LEU 2.198 0.214 13 0 "[ . 1 . ]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 49 GLN 1.874 0.140 14 0 "[ . 1 . ]"
1 50 LEU 3.621 0.265 9 0 "[ . 1 . ]"
1 51 VAL 2.198 0.214 13 0 "[ . 1 . ]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 53 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 54 ALA 3.621 0.265 9 0 "[ . 1 . ]"
1 63 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 64 LEU 4.383 0.345 18 0 "[ . 1 . ]"
1 65 ILE 4.587 0.279 6 0 "[ . 1 . ]"
1 66 PHE 0.025 0.019 14 0 "[ . 1 . ]"
1 69 LYS 0.025 0.019 14 0 "[ . 1 . ]"
1 71 LEU 4.383 0.345 18 0 "[ . 1 . ]"
1 87 CYS 1.122 0.131 12 0 "[ . 1 . ]"
1 89 VAL 0.599 0.076 14 0 "[ . 1 . ]"
1 90 MET 4.587 0.279 6 0 "[ . 1 . ]"
1 91 LEU 2.089 0.163 15 0 "[ . 1 . ]"
1 92 ILE 0.000 0.000 . 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 20 VAL H 1 31 LEU O 1.800 . 2.300 1.576 1.539 1.639 . 0 0 "[ . 1 . ]" 2
2 1 21 ILE H 1 87 CYS O 1.560 . 2.060 2.106 1.939 2.191 0.131 12 0 "[ . 1 . ]" 2
3 1 23 THR H 1 89 VAL O 1.980 . 2.480 2.467 2.182 2.556 0.076 14 0 "[ . 1 . ]" 2
4 1 24 HIS H 1 27 GLU O 2.350 2.050 2.850 2.062 1.951 2.452 0.099 10 0 "[ . 1 . ]" 2
5 1 24 HIS O 1 27 GLU H 1.870 . 2.370 2.269 2.147 2.397 0.027 5 0 "[ . 1 . ]" 2
6 1 22 VAL O 1 29 TYR H 1.830 . 2.330 1.955 1.777 2.277 . 0 0 "[ . 1 . ]" 2
7 1 20 VAL O 1 31 LEU H 1.550 . 2.050 2.063 1.713 2.161 0.111 14 0 "[ . 1 . ]" 2
8 1 18 LEU O 1 33 VAL H 1.550 . 2.050 2.188 2.121 2.288 0.238 5 0 "[ . 1 . ]" 2
9 1 45 GLN O 1 49 GLN H 2.320 2.020 2.820 1.916 1.880 2.011 0.140 14 0 "[ . 1 . ]" 2
10 1 46 ASP O 1 50 LEU H 2.000 . 2.500 1.809 1.719 1.954 . 0 0 "[ . 1 . ]" 2
11 1 47 LEU O 1 51 VAL H 2.090 . 2.590 2.712 2.609 2.804 0.214 13 0 "[ . 1 . ]" 2
12 1 48 ALA O 1 52 GLU H 1.970 . 2.470 1.965 1.846 2.162 . 0 0 "[ . 1 . ]" 2
13 1 49 GLN O 1 53 GLU H 1.610 . 2.110 1.645 1.599 1.788 . 0 0 "[ . 1 . ]" 2
14 1 50 LEU O 1 54 ALA H 1.530 . 2.030 2.231 2.172 2.295 0.265 9 0 "[ . 1 . ]" 2
15 1 65 ILE H 1 90 MET O 1.680 . 2.180 1.686 1.617 1.753 . 0 0 "[ . 1 . ]" 2
16 1 66 PHE H 1 69 LYS O 1.590 . 2.090 1.956 1.849 2.109 0.019 14 0 "[ . 1 . ]" 2
17 1 66 PHE O 1 69 LYS H 1.910 . 2.410 1.943 1.865 2.065 . 0 0 "[ . 1 . ]" 2
18 1 64 LEU O 1 71 LEU H 1.370 . 1.870 2.113 2.036 2.215 0.345 18 0 "[ . 1 . ]" 2
19 1 21 ILE O 1 89 VAL H 1.610 . 2.110 1.812 1.686 2.086 . 0 0 "[ . 1 . ]" 2
20 1 65 ILE O 1 90 MET H 1.620 . 2.120 2.375 2.326 2.399 0.279 6 0 "[ . 1 . ]" 2
21 1 23 THR O 1 91 LEU H 1.580 . 2.080 2.196 2.150 2.243 0.163 15 0 "[ . 1 . ]" 2
22 1 63 LYS O 1 92 ILE H 1.560 . 2.060 1.913 1.813 2.021 . 0 0 "[ . 1 . ]" 2
stop_
save_
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