NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
371291 |
1cfe   |
4301 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1cfe
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 1671
_Distance_constraint_stats_list.Viol_count 1771
_Distance_constraint_stats_list.Viol_total 2015.063
_Distance_constraint_stats_list.Viol_max 0.114
_Distance_constraint_stats_list.Viol_rms 0.0138
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0569
_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 GLN 2.969 0.114 6 0 "[ . 1 . 2]"
1 2 ASN 0.944 0.084 9 0 "[ . 1 . 2]"
1 3 SER 2.572 0.091 17 0 "[ . 1 . 2]"
1 4 PRO 2.193 0.091 17 0 "[ . 1 . 2]"
1 5 GLN 2.900 0.092 11 0 "[ . 1 . 2]"
1 6 ASP 0.197 0.076 11 0 "[ . 1 . 2]"
1 7 TYR 1.580 0.084 15 0 "[ . 1 . 2]"
1 8 LEU 1.985 0.090 6 0 "[ . 1 . 2]"
1 9 ALA 0.401 0.065 18 0 "[ . 1 . 2]"
1 10 VAL 0.461 0.071 9 0 "[ . 1 . 2]"
1 11 HIS 0.587 0.074 19 0 "[ . 1 . 2]"
1 12 ASN 1.796 0.096 8 0 "[ . 1 . 2]"
1 13 ASP 1.651 0.080 19 0 "[ . 1 . 2]"
1 14 ALA 1.316 0.083 9 0 "[ . 1 . 2]"
1 15 ARG 1.597 0.096 8 0 "[ . 1 . 2]"
1 16 ALA 0.002 0.002 17 0 "[ . 1 . 2]"
1 17 GLN 1.863 0.083 9 0 "[ . 1 . 2]"
1 18 VAL 0.824 0.066 13 0 "[ . 1 . 2]"
1 19 GLY 0.483 0.066 10 0 "[ . 1 . 2]"
1 20 VAL 1.248 0.066 13 0 "[ . 1 . 2]"
1 21 GLY 0.502 0.062 13 0 "[ . 1 . 2]"
1 22 PRO 1.582 0.090 3 0 "[ . 1 . 2]"
1 23 MET 0.743 0.074 3 0 "[ . 1 . 2]"
1 24 SER 2.019 0.087 17 0 "[ . 1 . 2]"
1 25 TRP 6.577 0.089 17 0 "[ . 1 . 2]"
1 26 ASP 0.669 0.108 1 0 "[ . 1 . 2]"
1 27 ALA 0.311 0.108 1 0 "[ . 1 . 2]"
1 28 ASN 3.563 0.087 5 0 "[ . 1 . 2]"
1 29 LEU 2.520 0.083 1 0 "[ . 1 . 2]"
1 30 ALA 0.456 0.065 12 0 "[ . 1 . 2]"
1 31 SER 3.273 0.108 4 0 "[ . 1 . 2]"
1 32 ARG 4.922 0.099 13 0 "[ . 1 . 2]"
1 33 ALA 0.202 0.050 17 0 "[ . 1 . 2]"
1 34 GLN 1.122 0.100 10 0 "[ . 1 . 2]"
1 35 ASN 3.516 0.087 4 0 "[ . 1 . 2]"
1 36 TYR 0.946 0.075 18 0 "[ . 1 . 2]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ASN 3.364 0.083 15 0 "[ . 1 . 2]"
1 39 SER 0.900 0.075 18 0 "[ . 1 . 2]"
1 40 ARG 0.694 0.082 12 0 "[ . 1 . 2]"
1 41 ALA 1.652 0.087 7 0 "[ . 1 . 2]"
1 42 GLY 0.525 0.075 17 0 "[ . 1 . 2]"
1 43 ASP 1.931 0.093 11 0 "[ . 1 . 2]"
1 44 CYS 0.566 0.081 9 0 "[ . 1 . 2]"
1 45 ASN 1.115 0.093 11 0 "[ . 1 . 2]"
1 46 LEU 0.508 0.085 9 0 "[ . 1 . 2]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 HIS 0.312 0.045 13 0 "[ . 1 . 2]"
1 49 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ALA 0.496 0.091 8 0 "[ . 1 . 2]"
1 52 GLY 0.994 0.091 8 0 "[ . 1 . 2]"
1 53 GLU 1.343 0.095 8 0 "[ . 1 . 2]"
1 54 ASN 1.250 0.088 12 0 "[ . 1 . 2]"
1 55 LEU 0.486 0.076 16 0 "[ . 1 . 2]"
1 56 ALA 0.155 0.047 20 0 "[ . 1 . 2]"
1 57 LYS 0.969 0.076 8 0 "[ . 1 . 2]"
1 58 GLY 0.849 0.101 12 0 "[ . 1 . 2]"
1 59 GLY 0.948 0.101 12 0 "[ . 1 . 2]"
1 60 GLY 0.050 0.026 15 0 "[ . 1 . 2]"
1 61 ASP 0.790 0.109 10 0 "[ . 1 . 2]"
1 62 PHE 1.491 0.109 10 0 "[ . 1 . 2]"
1 63 THR 1.758 0.114 6 0 "[ . 1 . 2]"
1 64 GLY 0.737 0.094 20 0 "[ . 1 . 2]"
1 65 ARG 2.261 0.078 13 0 "[ . 1 . 2]"
1 66 ALA 2.828 0.089 5 0 "[ . 1 . 2]"
1 67 ALA 1.107 0.062 16 0 "[ . 1 . 2]"
1 68 VAL 1.019 0.062 16 0 "[ . 1 . 2]"
1 69 GLN 3.877 0.089 5 0 "[ . 1 . 2]"
1 70 LEU 4.504 0.095 14 0 "[ . 1 . 2]"
1 71 TRP 3.125 0.095 14 0 "[ . 1 . 2]"
1 72 VAL 0.574 0.081 8 0 "[ . 1 . 2]"
1 73 SER 0.986 0.081 8 0 "[ . 1 . 2]"
1 74 GLU 1.127 0.082 3 0 "[ . 1 . 2]"
1 75 ARG 0.705 0.083 12 0 "[ . 1 . 2]"
1 76 PRO 0.300 0.070 12 0 "[ . 1 . 2]"
1 77 SER 2.933 0.084 14 0 "[ . 1 . 2]"
1 78 TYR 1.997 0.091 14 0 "[ . 1 . 2]"
1 79 ASN 0.749 0.082 13 0 "[ . 1 . 2]"
1 80 TYR 1.076 0.092 8 0 "[ . 1 . 2]"
1 81 ALA 1.810 0.092 8 0 "[ . 1 . 2]"
1 82 THR 1.068 0.087 15 0 "[ . 1 . 2]"
1 83 ASN 0.334 0.080 5 0 "[ . 1 . 2]"
1 84 GLN 0.743 0.082 13 0 "[ . 1 . 2]"
1 85 CYS 1.057 0.086 17 0 "[ . 1 . 2]"
1 86 VAL 2.331 0.092 3 0 "[ . 1 . 2]"
1 87 GLY 1.009 0.092 3 0 "[ . 1 . 2]"
1 88 GLY 0.230 0.081 1 0 "[ . 1 . 2]"
1 89 LYS 4.218 0.101 13 0 "[ . 1 . 2]"
1 90 LYS 1.688 0.093 16 0 "[ . 1 . 2]"
1 91 CYS 0.919 0.082 3 0 "[ . 1 . 2]"
1 92 ARG 0.523 0.093 16 0 "[ . 1 . 2]"
1 93 HIS 1.250 0.088 12 0 "[ . 1 . 2]"
1 94 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 THR 0.059 0.052 1 0 "[ . 1 . 2]"
1 96 GLN 0.765 0.084 6 0 "[ . 1 . 2]"
1 97 VAL 0.049 0.049 3 0 "[ . 1 . 2]"
1 98 VAL 0.162 0.053 17 0 "[ . 1 . 2]"
1 99 TRP 3.214 0.081 13 0 "[ . 1 . 2]"
1 100 ARG 1.031 0.077 11 0 "[ . 1 . 2]"
1 101 ASN 0.094 0.057 12 0 "[ . 1 . 2]"
1 102 SER 0.272 0.074 6 0 "[ . 1 . 2]"
1 103 VAL 1.071 0.092 10 0 "[ . 1 . 2]"
1 104 ARG 1.301 0.092 10 0 "[ . 1 . 2]"
1 105 LEU 1.039 0.102 6 0 "[ . 1 . 2]"
1 106 GLY 1.317 0.102 6 0 "[ . 1 . 2]"
1 107 CYS 1.998 0.086 11 0 "[ . 1 . 2]"
1 108 GLY 0.785 0.107 16 0 "[ . 1 . 2]"
1 109 ARG 1.173 0.107 16 0 "[ . 1 . 2]"
1 110 ALA 0.103 0.064 12 0 "[ . 1 . 2]"
1 111 ARG 2.561 0.092 4 0 "[ . 1 . 2]"
1 112 CYS 1.463 0.081 9 0 "[ . 1 . 2]"
1 113 ASN 0.583 0.075 5 0 "[ . 1 . 2]"
1 114 ASN 0.254 0.078 20 0 "[ . 1 . 2]"
1 115 GLY 0.213 0.075 5 0 "[ . 1 . 2]"
1 116 TRP 3.110 0.092 12 0 "[ . 1 . 2]"
1 117 TRP 1.987 0.077 18 0 "[ . 1 . 2]"
1 118 PHE 1.396 0.092 4 0 "[ . 1 . 2]"
1 119 ILE 0.092 0.074 17 0 "[ . 1 . 2]"
1 120 SER 0.098 0.073 7 0 "[ . 1 . 2]"
1 121 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 ASN 0.872 0.078 15 0 "[ . 1 . 2]"
1 123 TYR 0.575 0.078 12 0 "[ . 1 . 2]"
1 124 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 VAL 0.585 0.080 14 0 "[ . 1 . 2]"
1 127 GLY 0.382 0.073 17 0 "[ . 1 . 2]"
1 128 ASN 1.315 0.084 11 0 "[ . 1 . 2]"
1 129 TRP 2.647 0.084 11 0 "[ . 1 . 2]"
1 130 ILE 0.937 0.105 7 0 "[ . 1 . 2]"
1 131 GLY 0.340 0.079 12 0 "[ . 1 . 2]"
1 132 GLN 0.319 0.105 7 0 "[ . 1 . 2]"
1 133 ARG 0.100 0.057 4 0 "[ . 1 . 2]"
1 134 PRO 1.203 0.076 16 0 "[ . 1 . 2]"
1 135 TYR 0.974 0.077 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLN HA 1 1 GLN HB2 . . 2.900 2.826 1.959 2.982 0.082 16 0 "[ . 1 . 2]" 1
2 1 1 GLN HA 1 1 GLN HB3 . . 2.900 2.526 2.276 2.970 0.070 20 0 "[ . 1 . 2]" 1
3 1 1 GLN HA 1 1 GLN HG2 . . 3.200 2.638 2.243 3.292 0.092 11 0 "[ . 1 . 2]" 1
4 1 1 GLN HA 1 1 GLN HG3 . . 3.200 2.895 2.153 3.262 0.062 10 0 "[ . 1 . 2]" 1
5 1 1 GLN HA 1 1 GLN QG . . 2.780 2.362 2.127 2.692 . 0 0 "[ . 1 . 2]" 1
6 1 1 GLN HA 1 6 ASP HB2 . . 5.000 4.124 3.310 4.994 . 0 0 "[ . 1 . 2]" 1
7 1 1 GLN HA 1 65 ARG HB2 . . 5.000 2.959 2.216 4.425 . 0 0 "[ . 1 . 2]" 1
8 1 1 GLN HA 1 65 ARG HB3 . . 5.000 3.619 2.386 5.076 0.076 7 0 "[ . 1 . 2]" 1
9 1 1 GLN HA 1 65 ARG QD . . 6.000 3.558 2.467 5.345 . 0 0 "[ . 1 . 2]" 1
10 1 1 GLN HB2 1 63 THR HB . . 3.300 2.836 1.924 3.391 0.091 20 0 "[ . 1 . 2]" 1
11 1 1 GLN HB2 1 63 THR MG . . 4.900 2.554 2.094 3.777 . 0 0 "[ . 1 . 2]" 1
12 1 1 GLN HB2 1 65 ARG HB2 . . 5.000 4.424 3.644 5.078 0.078 13 0 "[ . 1 . 2]" 1
13 1 1 GLN HB2 1 65 ARG HB3 . . 5.000 4.141 3.252 5.061 0.061 9 0 "[ . 1 . 2]" 1
14 1 1 GLN HB2 1 65 ARG QD . . 6.000 4.739 4.168 5.418 . 0 0 "[ . 1 . 2]" 1
15 1 1 GLN HB3 1 63 THR HB . . 3.300 2.607 2.001 3.414 0.114 6 0 "[ . 1 . 2]" 1
16 1 1 GLN HB3 1 63 THR MG . . 4.900 3.074 2.467 4.015 . 0 0 "[ . 1 . 2]" 1
17 1 1 GLN HB3 1 65 ARG HB2 . . 5.000 3.353 2.079 5.051 0.051 6 0 "[ . 1 . 2]" 1
18 1 1 GLN HB3 1 65 ARG HB3 . . 5.000 3.112 2.145 5.078 0.078 18 0 "[ . 1 . 2]" 1
19 1 1 GLN HB3 1 65 ARG QD . . 6.000 3.958 2.902 5.276 . 0 0 "[ . 1 . 2]" 1
20 1 1 GLN QB 1 63 THR HB . . 3.080 2.259 1.914 2.941 . 0 0 "[ . 1 . 2]" 1
21 1 1 GLN QB 1 63 THR MG . . 4.390 2.381 2.019 3.107 . 0 0 "[ . 1 . 2]" 1
22 1 1 GLN QB 1 64 GLY H . . 5.880 4.186 3.473 5.196 . 0 0 "[ . 1 . 2]" 1
23 1 1 GLN QB 1 65 ARG H . . 5.680 3.451 2.752 4.910 . 0 0 "[ . 1 . 2]" 1
24 1 1 GLN QB 1 65 ARG HB3 . . 4.820 2.864 2.133 4.205 . 0 0 "[ . 1 . 2]" 1
25 1 1 GLN QB 1 65 ARG QG . . 6.750 4.337 3.241 5.491 . 0 0 "[ . 1 . 2]" 1
26 1 1 GLN QG 1 63 THR MG . . 5.780 3.553 1.809 4.207 . 0 0 "[ . 1 . 2]" 1
27 1 1 GLN QG 1 65 ARG QD . . 6.880 3.306 2.161 5.471 . 0 0 "[ . 1 . 2]" 1
28 1 2 ASN HA 1 2 ASN HB2 . . 2.900 2.639 2.298 2.984 0.084 9 0 "[ . 1 . 2]" 1
29 1 2 ASN HA 1 2 ASN HB3 . . 2.900 2.532 2.275 2.984 0.084 8 0 "[ . 1 . 2]" 1
30 1 2 ASN HA 1 64 GLY H . . 4.100 3.377 2.462 4.172 0.072 17 0 "[ . 1 . 2]" 1
31 1 2 ASN HA 1 64 GLY QA . . 4.980 3.403 2.404 4.187 . 0 0 "[ . 1 . 2]" 1
32 1 2 ASN QD 1 63 THR HA . . 5.870 4.111 2.034 5.334 . 0 0 "[ . 1 . 2]" 1
33 1 2 ASN QD 1 63 THR MG . . 6.870 3.942 2.344 4.995 . 0 0 "[ . 1 . 2]" 1
34 1 3 SER H 1 3 SER HB2 . . 3.900 3.093 2.253 3.916 0.016 5 0 "[ . 1 . 2]" 1
35 1 3 SER H 1 3 SER HB3 . . 3.900 3.455 2.246 3.962 0.062 10 0 "[ . 1 . 2]" 1
36 1 3 SER HA 1 3 SER HB2 . . 3.000 2.838 2.284 3.052 0.052 9 0 "[ . 1 . 2]" 1
37 1 3 SER HA 1 3 SER HB3 . . 3.000 2.487 2.192 2.952 . 0 0 "[ . 1 . 2]" 1
38 1 3 SER HA 1 4 PRO HD2 . . 3.100 2.693 2.295 3.176 0.076 2 0 "[ . 1 . 2]" 1
39 1 3 SER HA 1 4 PRO HD3 . . 2.600 2.604 2.334 2.674 0.074 1 0 "[ . 1 . 2]" 1
40 1 3 SER HB2 1 4 PRO HD2 . . 3.400 2.932 1.991 3.491 0.091 17 0 "[ . 1 . 2]" 1
41 1 3 SER HB2 1 4 PRO HD3 . . 4.700 4.099 2.406 4.768 0.068 3 0 "[ . 1 . 2]" 1
42 1 3 SER HB3 1 4 PRO HD2 . . 3.400 2.499 2.012 3.487 0.087 12 0 "[ . 1 . 2]" 1
43 1 3 SER HB3 1 4 PRO HD3 . . 4.700 3.689 2.643 4.605 . 0 0 "[ . 1 . 2]" 1
44 1 3 SER QB 1 4 PRO HD2 . . 3.080 2.111 1.972 2.667 . 0 0 "[ . 1 . 2]" 1
45 1 3 SER QB 1 4 PRO HD3 . . 4.090 3.273 2.385 3.757 . 0 0 "[ . 1 . 2]" 1
46 1 3 SER QB 1 5 GLN H . . 5.580 3.148 2.576 4.258 . 0 0 "[ . 1 . 2]" 1
47 1 4 PRO HA 1 7 TYR QD . . 5.300 3.177 2.283 4.928 . 0 0 "[ . 1 . 2]" 1
48 1 4 PRO HA 1 25 TRP HZ3 . . 5.000 3.648 3.017 4.554 . 0 0 "[ . 1 . 2]" 1
49 1 4 PRO HA 1 25 TRP HH2 . . 3.900 2.972 2.550 3.549 . 0 0 "[ . 1 . 2]" 1
50 1 4 PRO HA 1 105 LEU QD . . 7.570 4.961 4.342 5.383 . 0 0 "[ . 1 . 2]" 1
51 1 4 PRO HB2 1 5 GLN H . . 3.200 2.979 2.125 3.247 0.047 5 0 "[ . 1 . 2]" 1
52 1 4 PRO HB3 1 5 GLN H . . 4.500 3.927 3.570 4.147 . 0 0 "[ . 1 . 2]" 1
53 1 4 PRO QG 1 25 TRP HE1 . . 5.880 4.305 3.239 4.862 . 0 0 "[ . 1 . 2]" 1
54 1 4 PRO QG 1 25 TRP HZ2 . . 5.880 4.938 3.607 5.268 . 0 0 "[ . 1 . 2]" 1
55 1 4 PRO HD2 1 5 GLN H . . 4.100 2.847 2.156 3.414 . 0 0 "[ . 1 . 2]" 1
56 1 4 PRO HD3 1 5 GLN H . . 4.900 3.939 3.553 4.320 . 0 0 "[ . 1 . 2]" 1
57 1 5 GLN H 1 5 GLN HB2 . . 3.500 2.988 2.089 3.567 0.067 19 0 "[ . 1 . 2]" 1
58 1 5 GLN H 1 5 GLN HB3 . . 3.500 2.678 2.262 3.556 0.056 18 0 "[ . 1 . 2]" 1
59 1 5 GLN H 1 5 GLN QB . . 3.240 2.294 2.063 2.551 . 0 0 "[ . 1 . 2]" 1
60 1 5 GLN H 1 5 GLN HG2 . . 5.000 3.236 2.150 4.607 . 0 0 "[ . 1 . 2]" 1
61 1 5 GLN H 1 5 GLN HG3 . . 5.000 3.777 2.764 4.496 . 0 0 "[ . 1 . 2]" 1
62 1 5 GLN H 1 6 ASP H . . 3.500 2.944 2.661 3.155 . 0 0 "[ . 1 . 2]" 1
63 1 5 GLN HA 1 5 GLN HB2 . . 2.900 2.530 2.295 2.992 0.092 11 0 "[ . 1 . 2]" 1
64 1 5 GLN HA 1 5 GLN HB3 . . 2.900 2.637 2.355 2.986 0.086 8 0 "[ . 1 . 2]" 1
65 1 5 GLN HA 1 5 GLN QG . . 3.950 2.971 2.136 3.420 . 0 0 "[ . 1 . 2]" 1
66 1 5 GLN HA 1 8 LEU H . . 4.400 3.399 2.981 3.882 . 0 0 "[ . 1 . 2]" 1
67 1 5 GLN HA 1 8 LEU HB2 . . 2.800 2.153 1.981 2.325 . 0 0 "[ . 1 . 2]" 1
68 1 5 GLN HA 1 8 LEU HB3 . . 3.300 3.374 3.347 3.390 0.090 6 0 "[ . 1 . 2]" 1
69 1 5 GLN HA 1 8 LEU MD1 . . 4.200 3.014 2.492 3.335 . 0 0 "[ . 1 . 2]" 1
70 1 5 GLN HA 1 8 LEU MD2 . . 6.000 4.852 4.621 4.996 . 0 0 "[ . 1 . 2]" 1
71 1 5 GLN HA 1 9 ALA H . . 4.200 3.515 2.781 3.939 . 0 0 "[ . 1 . 2]" 1
72 1 5 GLN HB2 1 6 ASP H . . 4.400 3.960 2.684 4.360 . 0 0 "[ . 1 . 2]" 1
73 1 5 GLN HB3 1 6 ASP H . . 4.400 3.802 2.831 4.335 . 0 0 "[ . 1 . 2]" 1
74 1 5 GLN QB 1 6 ASP H . . 4.110 3.385 2.597 3.799 . 0 0 "[ . 1 . 2]" 1
75 1 6 ASP H 1 6 ASP HB2 . . 3.100 2.400 2.224 2.584 . 0 0 "[ . 1 . 2]" 1
76 1 6 ASP H 1 6 ASP HB3 . . 4.000 3.600 3.491 3.646 . 0 0 "[ . 1 . 2]" 1
77 1 6 ASP H 1 7 TYR H . . 3.100 2.626 2.431 2.953 . 0 0 "[ . 1 . 2]" 1
78 1 6 ASP HA 1 6 ASP HB3 . . 2.800 2.584 2.408 2.716 . 0 0 "[ . 1 . 2]" 1
79 1 6 ASP HA 1 9 ALA H . . 5.000 3.536 2.974 3.915 . 0 0 "[ . 1 . 2]" 1
80 1 6 ASP HA 1 9 ALA MB . . 3.800 2.749 2.342 3.077 . 0 0 "[ . 1 . 2]" 1
81 1 6 ASP HB2 1 7 TYR H . . 3.200 2.702 2.178 3.259 0.059 12 0 "[ . 1 . 2]" 1
82 1 6 ASP HB2 1 65 ARG HB2 . . 5.000 3.920 2.964 4.552 . 0 0 "[ . 1 . 2]" 1
83 1 6 ASP HB3 1 7 TYR H . . 4.400 3.373 2.813 3.949 . 0 0 "[ . 1 . 2]" 1
84 1 6 ASP HB3 1 65 ARG HB2 . . 5.000 2.511 2.129 2.975 . 0 0 "[ . 1 . 2]" 1
85 1 6 ASP HB3 1 65 ARG HB3 . . 4.600 4.155 3.771 4.676 0.076 11 0 "[ . 1 . 2]" 1
86 1 6 ASP HB3 1 65 ARG QG . . 5.880 3.502 2.262 4.692 . 0 0 "[ . 1 . 2]" 1
87 1 7 TYR H 1 7 TYR HB2 . . 4.100 2.398 2.063 2.704 . 0 0 "[ . 1 . 2]" 1
88 1 7 TYR H 1 7 TYR HB3 . . 4.000 3.557 3.045 3.665 . 0 0 "[ . 1 . 2]" 1
89 1 7 TYR H 1 8 LEU H . . 3.500 2.643 2.365 2.857 . 0 0 "[ . 1 . 2]" 1
90 1 7 TYR H 1 25 TRP HH2 . . 4.600 4.669 4.628 4.684 0.084 15 0 "[ . 1 . 2]" 1
91 1 7 TYR HA 1 7 TYR HB3 . . 3.000 2.578 2.411 2.940 . 0 0 "[ . 1 . 2]" 1
92 1 7 TYR HA 1 10 VAL H . . 4.400 3.814 3.650 4.076 . 0 0 "[ . 1 . 2]" 1
93 1 7 TYR HA 1 10 VAL HB . . 5.000 3.536 3.322 4.001 . 0 0 "[ . 1 . 2]" 1
94 1 7 TYR HA 1 10 VAL MG2 . . 6.000 3.670 3.424 3.932 . 0 0 "[ . 1 . 2]" 1
95 1 7 TYR HA 1 11 HIS H . . 4.900 4.223 3.932 4.696 . 0 0 "[ . 1 . 2]" 1
96 1 7 TYR HA 1 11 HIS HD1 . . 5.000 3.167 2.770 3.630 . 0 0 "[ . 1 . 2]" 1
97 1 7 TYR HA 1 68 VAL MG2 . . 3.500 2.215 2.024 2.637 . 0 0 "[ . 1 . 2]" 1
98 1 7 TYR HA 1 105 LEU QD . . 7.570 4.291 3.808 4.795 . 0 0 "[ . 1 . 2]" 1
99 1 7 TYR HB2 1 8 LEU H . . 3.800 2.460 2.286 3.091 . 0 0 "[ . 1 . 2]" 1
100 1 7 TYR HB2 1 11 HIS HD1 . . 5.000 4.469 4.022 5.074 0.074 19 0 "[ . 1 . 2]" 1
101 1 7 TYR HB2 1 25 TRP HH2 . . 3.900 3.091 2.715 3.509 . 0 0 "[ . 1 . 2]" 1
102 1 7 TYR HB2 1 105 LEU QD . . 7.570 3.114 2.428 3.991 . 0 0 "[ . 1 . 2]" 1
103 1 7 TYR HB3 1 8 LEU H . . 4.100 3.235 2.589 3.633 . 0 0 "[ . 1 . 2]" 1
104 1 7 TYR HB3 1 11 HIS HD1 . . 5.000 3.167 2.725 3.815 . 0 0 "[ . 1 . 2]" 1
105 1 7 TYR HB3 1 25 TRP HH2 . . 5.000 4.003 2.875 4.665 . 0 0 "[ . 1 . 2]" 1
106 1 7 TYR HB3 1 105 LEU QD . . 6.770 2.449 2.132 3.176 . 0 0 "[ . 1 . 2]" 1
107 1 7 TYR QD 1 11 HIS HE1 . . 7.000 2.771 2.311 4.088 . 0 0 "[ . 1 . 2]" 1
108 1 7 TYR QD 1 25 TRP HH2 . . 6.900 2.946 2.290 4.033 . 0 0 "[ . 1 . 2]" 1
109 1 7 TYR QD 1 68 VAL MG2 . . 6.300 2.178 1.961 2.938 . 0 0 "[ . 1 . 2]" 1
110 1 7 TYR QD 1 71 TRP HZ2 . . 7.000 5.579 5.080 6.564 . 0 0 "[ . 1 . 2]" 1
111 1 7 TYR QD 1 105 LEU MD1 . . 8.000 3.834 2.225 4.843 . 0 0 "[ . 1 . 2]" 1
112 1 7 TYR QD 1 105 LEU MD2 . . 8.000 3.801 2.209 4.596 . 0 0 "[ . 1 . 2]" 1
113 1 7 TYR QD 1 119 ILE MG . . 8.000 4.129 3.399 4.811 . 0 0 "[ . 1 . 2]" 1
114 1 7 TYR QD 1 123 TYR QE . . 9.000 5.942 4.527 6.297 . 0 0 "[ . 1 . 2]" 1
115 1 7 TYR QE 1 123 TYR QE . . 9.000 6.469 3.707 7.395 . 0 0 "[ . 1 . 2]" 1
116 1 8 LEU H 1 8 LEU HB2 . . 3.800 2.183 2.082 2.272 . 0 0 "[ . 1 . 2]" 1
117 1 8 LEU H 1 8 LEU HB3 . . 3.700 3.504 3.427 3.551 . 0 0 "[ . 1 . 2]" 1
118 1 8 LEU H 1 9 ALA H . . 3.700 2.914 2.753 2.969 . 0 0 "[ . 1 . 2]" 1
119 1 8 LEU HA 1 8 LEU MD2 . . 3.400 2.095 2.016 2.204 . 0 0 "[ . 1 . 2]" 1
120 1 8 LEU HA 1 11 HIS QB . . 4.500 2.439 2.158 2.752 . 0 0 "[ . 1 . 2]" 1
121 1 8 LEU HA 1 11 HIS HD1 . . 4.700 3.573 2.842 4.175 . 0 0 "[ . 1 . 2]" 1
122 1 8 LEU HA 1 105 LEU QD . . 5.770 2.942 2.265 3.549 . 0 0 "[ . 1 . 2]" 1
123 1 8 LEU HB2 1 9 ALA H . . 3.500 2.950 2.807 3.116 . 0 0 "[ . 1 . 2]" 1
124 1 8 LEU HB2 1 12 ASN HD21 . . 5.000 4.839 4.355 5.069 0.069 3 0 "[ . 1 . 2]" 1
125 1 8 LEU HB2 1 25 TRP HZ3 . . 5.000 4.575 3.836 5.039 0.039 18 0 "[ . 1 . 2]" 1
126 1 8 LEU HB2 1 105 LEU QD . . 7.570 4.332 3.829 4.906 . 0 0 "[ . 1 . 2]" 1
127 1 8 LEU HB3 1 12 ASN HD21 . . 4.600 3.264 2.766 3.655 . 0 0 "[ . 1 . 2]" 1
128 1 8 LEU HB3 1 12 ASN HD22 . . 5.000 3.222 2.722 3.941 . 0 0 "[ . 1 . 2]" 1
129 1 8 LEU HG 1 25 TRP HE3 . . 4.100 2.381 2.215 2.590 . 0 0 "[ . 1 . 2]" 1
130 1 8 LEU HG 1 25 TRP HZ3 . . 5.000 2.873 2.489 3.138 . 0 0 "[ . 1 . 2]" 1
131 1 8 LEU HG 1 105 LEU QD . . 7.570 2.508 2.151 3.282 . 0 0 "[ . 1 . 2]" 1
132 1 8 LEU MD1 1 23 MET HB2 . . 6.000 4.910 4.695 4.950 . 0 0 "[ . 1 . 2]" 1
133 1 8 LEU MD1 1 24 SER HA . . 5.200 2.760 2.303 3.361 . 0 0 "[ . 1 . 2]" 1
134 1 8 LEU MD1 1 25 TRP H . . 5.300 2.857 2.405 3.233 . 0 0 "[ . 1 . 2]" 1
135 1 8 LEU MD1 1 25 TRP QB . . 5.500 2.275 2.020 2.722 . 0 0 "[ . 1 . 2]" 1
136 1 8 LEU MD1 1 25 TRP HZ3 . . 6.000 3.885 3.587 4.205 . 0 0 "[ . 1 . 2]" 1
137 1 8 LEU MD1 1 105 LEU QD . . 8.570 3.674 3.129 4.189 . 0 0 "[ . 1 . 2]" 1
138 1 8 LEU MD2 1 12 ASN HD21 . . 6.000 3.599 2.731 4.534 . 0 0 "[ . 1 . 2]" 1
139 1 8 LEU MD2 1 12 ASN HD22 . . 5.400 2.722 2.171 3.887 . 0 0 "[ . 1 . 2]" 1
140 1 8 LEU MD2 1 23 MET HB2 . . 4.700 3.139 2.738 3.589 . 0 0 "[ . 1 . 2]" 1
141 1 8 LEU MD2 1 23 MET HB3 . . 6.000 4.248 3.952 4.788 . 0 0 "[ . 1 . 2]" 1
142 1 8 LEU MD2 1 24 SER HA . . 4.200 2.889 2.381 3.386 . 0 0 "[ . 1 . 2]" 1
143 1 8 LEU MD2 1 25 TRP H . . 6.000 4.026 3.659 4.542 . 0 0 "[ . 1 . 2]" 1
144 1 8 LEU MD2 1 25 TRP HA . . 6.000 3.672 3.293 4.131 . 0 0 "[ . 1 . 2]" 1
145 1 8 LEU MD2 1 25 TRP QB . . 6.600 4.122 3.866 4.588 . 0 0 "[ . 1 . 2]" 1
146 1 8 LEU MD2 1 25 TRP HE3 . . 6.000 3.236 2.557 3.793 . 0 0 "[ . 1 . 2]" 1
147 1 8 LEU MD2 1 25 TRP HZ3 . . 5.400 4.090 3.251 4.556 . 0 0 "[ . 1 . 2]" 1
148 1 8 LEU MD2 1 105 LEU HB3 . . 6.000 2.870 2.465 3.576 . 0 0 "[ . 1 . 2]" 1
149 1 8 LEU MD2 1 105 LEU MD1 . . 7.000 3.534 2.111 4.730 . 0 0 "[ . 1 . 2]" 1
150 1 8 LEU MD2 1 105 LEU MD2 . . 7.000 3.351 2.078 4.827 . 0 0 "[ . 1 . 2]" 1
151 1 8 LEU MD2 1 105 LEU QD . . 5.670 2.483 2.070 3.137 . 0 0 "[ . 1 . 2]" 1
152 1 9 ALA H 1 9 ALA MB . . 3.400 2.237 2.191 2.304 . 0 0 "[ . 1 . 2]" 1
153 1 9 ALA H 1 10 VAL H . . 3.300 2.891 2.769 3.058 . 0 0 "[ . 1 . 2]" 1
154 1 9 ALA H 1 10 VAL MG2 . . 6.000 4.302 4.060 4.453 . 0 0 "[ . 1 . 2]" 1
155 1 9 ALA HA 1 12 ASN H . . 5.000 3.638 3.343 3.993 . 0 0 "[ . 1 . 2]" 1
156 1 9 ALA HA 1 12 ASN HB2 . . 4.600 2.756 2.411 3.120 . 0 0 "[ . 1 . 2]" 1
157 1 9 ALA HA 1 12 ASN HB3 . . 4.700 4.366 3.986 4.756 0.056 10 0 "[ . 1 . 2]" 1
158 1 9 ALA HA 1 12 ASN HD22 . . 5.000 4.782 3.889 5.065 0.065 18 0 "[ . 1 . 2]" 1
159 1 9 ALA HA 1 13 ASP H . . 4.500 4.024 3.810 4.253 . 0 0 "[ . 1 . 2]" 1
160 1 9 ALA MB 1 10 VAL H . . 3.800 2.342 2.180 2.445 . 0 0 "[ . 1 . 2]" 1
161 1 9 ALA MB 1 10 VAL HA . . 5.100 3.763 3.563 3.865 . 0 0 "[ . 1 . 2]" 1
162 1 9 ALA MB 1 13 ASP H . . 6.000 4.561 4.352 4.758 . 0 0 "[ . 1 . 2]" 1
163 1 10 VAL H 1 10 VAL HB . . 2.900 2.592 2.525 2.700 . 0 0 "[ . 1 . 2]" 1
164 1 10 VAL H 1 10 VAL MG2 . . 3.400 2.066 1.936 2.152 . 0 0 "[ . 1 . 2]" 1
165 1 10 VAL H 1 11 HIS H . . 3.000 2.693 2.519 2.818 . 0 0 "[ . 1 . 2]" 1
166 1 10 VAL H 1 68 VAL MG1 . . 6.000 4.259 4.080 4.475 . 0 0 "[ . 1 . 2]" 1
167 1 10 VAL HA 1 10 VAL MG1 . . 3.400 2.358 2.323 2.400 . 0 0 "[ . 1 . 2]" 1
168 1 10 VAL HA 1 10 VAL MG2 . . 3.400 2.455 2.388 2.511 . 0 0 "[ . 1 . 2]" 1
169 1 10 VAL HA 1 13 ASP H . . 3.900 3.354 3.001 3.551 . 0 0 "[ . 1 . 2]" 1
170 1 10 VAL HA 1 13 ASP HB2 . . 3.300 2.522 2.138 2.910 . 0 0 "[ . 1 . 2]" 1
171 1 10 VAL HA 1 13 ASP HB3 . . 3.300 3.100 2.830 3.371 0.071 9 0 "[ . 1 . 2]" 1
172 1 10 VAL HB 1 11 HIS H . . 3.100 2.758 2.642 2.922 . 0 0 "[ . 1 . 2]" 1
173 1 10 VAL HB 1 11 HIS HD1 . . 5.000 3.280 2.985 3.573 . 0 0 "[ . 1 . 2]" 1
174 1 10 VAL HB 1 11 HIS HE1 . . 5.000 4.924 4.648 5.064 0.064 11 0 "[ . 1 . 2]" 1
175 1 10 VAL HB 1 68 VAL MG1 . . 3.600 2.202 2.139 2.264 . 0 0 "[ . 1 . 2]" 1
176 1 10 VAL HB 1 68 VAL MG2 . . 6.000 2.927 2.708 3.237 . 0 0 "[ . 1 . 2]" 1
177 1 10 VAL MG1 1 11 HIS H . . 6.000 3.704 3.553 3.811 . 0 0 "[ . 1 . 2]" 1
178 1 10 VAL MG1 1 11 HIS HA . . 6.000 3.822 3.605 4.102 . 0 0 "[ . 1 . 2]" 1
179 1 10 VAL MG1 1 14 ALA H . . 6.000 3.816 3.676 4.025 . 0 0 "[ . 1 . 2]" 1
180 1 10 VAL MG1 1 14 ALA MB . . 5.800 3.395 3.052 3.695 . 0 0 "[ . 1 . 2]" 1
181 1 10 VAL MG1 1 65 ARG HA . . 6.000 4.449 3.841 4.701 . 0 0 "[ . 1 . 2]" 1
182 1 10 VAL MG1 1 68 VAL HA . . 6.000 4.182 3.933 4.368 . 0 0 "[ . 1 . 2]" 1
183 1 10 VAL MG1 1 68 VAL HB . . 3.500 2.309 2.182 2.519 . 0 0 "[ . 1 . 2]" 1
184 1 10 VAL MG1 1 68 VAL MG1 . . 4.400 2.062 1.986 2.137 . 0 0 "[ . 1 . 2]" 1
185 1 10 VAL MG1 1 68 VAL MG2 . . 5.900 3.596 3.474 3.789 . 0 0 "[ . 1 . 2]" 1
186 1 10 VAL MG1 1 69 GLN H . . 6.000 3.085 2.792 3.386 . 0 0 "[ . 1 . 2]" 1
187 1 10 VAL MG1 1 69 GLN HA . . 4.300 2.901 2.486 3.247 . 0 0 "[ . 1 . 2]" 1
188 1 10 VAL MG1 1 69 GLN HG2 . . 4.500 2.584 2.136 3.585 . 0 0 "[ . 1 . 2]" 1
189 1 10 VAL MG1 1 69 GLN HG3 . . 4.500 3.151 2.204 3.657 . 0 0 "[ . 1 . 2]" 1
190 1 10 VAL MG1 1 69 GLN QE . . 6.870 3.861 1.940 4.989 . 0 0 "[ . 1 . 2]" 1
191 1 10 VAL MG2 1 11 HIS H . . 6.000 3.895 3.761 4.004 . 0 0 "[ . 1 . 2]" 1
192 1 10 VAL MG2 1 65 ARG HA . . 3.700 2.814 2.336 2.962 . 0 0 "[ . 1 . 2]" 1
193 1 10 VAL MG2 1 65 ARG QG . . 5.380 2.096 1.881 2.727 . 0 0 "[ . 1 . 2]" 1
194 1 10 VAL MG2 1 65 ARG QD . . 6.500 3.124 1.939 3.863 . 0 0 "[ . 1 . 2]" 1
195 1 10 VAL MG2 1 68 VAL HB . . 3.600 2.686 2.442 2.820 . 0 0 "[ . 1 . 2]" 1
196 1 10 VAL MG2 1 68 VAL MG1 . . 6.600 3.460 3.352 3.559 . 0 0 "[ . 1 . 2]" 1
197 1 10 VAL MG2 1 68 VAL MG2 . . 6.100 3.497 3.352 3.691 . 0 0 "[ . 1 . 2]" 1
198 1 10 VAL MG2 1 69 GLN H . . 6.000 3.614 3.190 3.923 . 0 0 "[ . 1 . 2]" 1
199 1 10 VAL MG2 1 69 GLN HG2 . . 5.100 3.102 2.162 4.120 . 0 0 "[ . 1 . 2]" 1
200 1 10 VAL MG2 1 69 GLN HG3 . . 5.100 3.102 2.245 3.898 . 0 0 "[ . 1 . 2]" 1
201 1 10 VAL MG2 1 69 GLN QE . . 6.870 3.873 2.179 5.093 . 0 0 "[ . 1 . 2]" 1
202 1 11 HIS H 1 11 HIS HA . . 2.900 2.872 2.850 2.896 . 0 0 "[ . 1 . 2]" 1
203 1 11 HIS H 1 11 HIS QB . . 3.700 2.371 2.174 2.472 . 0 0 "[ . 1 . 2]" 1
204 1 11 HIS H 1 11 HIS HD1 . . 3.300 2.335 2.219 2.490 . 0 0 "[ . 1 . 2]" 1
205 1 11 HIS H 1 12 ASN H . . 3.200 2.720 2.578 2.855 . 0 0 "[ . 1 . 2]" 1
206 1 11 HIS H 1 13 ASP QB . . 5.880 4.716 4.514 5.002 . 0 0 "[ . 1 . 2]" 1
207 1 11 HIS H 1 68 VAL MG1 . . 6.000 3.094 2.898 3.457 . 0 0 "[ . 1 . 2]" 1
208 1 11 HIS HA 1 14 ALA H . . 3.800 3.569 3.410 3.751 . 0 0 "[ . 1 . 2]" 1
209 1 11 HIS HA 1 14 ALA MB . . 4.200 2.776 2.436 2.985 . 0 0 "[ . 1 . 2]" 1
210 1 11 HIS HA 1 68 VAL MG1 . . 5.300 3.252 3.033 3.566 . 0 0 "[ . 1 . 2]" 1
211 1 11 HIS HA 1 97 VAL MG1 . . 3.500 2.190 2.006 2.609 . 0 0 "[ . 1 . 2]" 1
212 1 11 HIS QB 1 12 ASN H . . 4.900 2.460 2.299 2.798 . 0 0 "[ . 1 . 2]" 1
213 1 11 HIS QB 1 23 MET ME . . 7.000 3.647 2.868 4.793 . 0 0 "[ . 1 . 2]" 1
214 1 11 HIS QB 1 97 VAL MG1 . . 7.000 3.300 3.035 3.607 . 0 0 "[ . 1 . 2]" 1
215 1 11 HIS QB 1 105 LEU QD . . 8.470 3.187 2.609 4.127 . 0 0 "[ . 1 . 2]" 1
216 1 11 HIS HD1 1 68 VAL MG1 . . 5.300 2.452 2.247 2.764 . 0 0 "[ . 1 . 2]" 1
217 1 11 HIS HD1 1 68 VAL MG2 . . 5.200 2.460 2.112 2.763 . 0 0 "[ . 1 . 2]" 1
218 1 11 HIS HD1 1 105 LEU QD . . 6.670 3.221 2.634 3.872 . 0 0 "[ . 1 . 2]" 1
219 1 11 HIS HD2 1 97 VAL HA . . 3.200 2.573 2.336 3.249 0.049 3 0 "[ . 1 . 2]" 1
220 1 11 HIS HD2 1 97 VAL MG1 . . 3.900 2.873 2.534 3.060 . 0 0 "[ . 1 . 2]" 1
221 1 11 HIS HD2 1 97 VAL MG2 . . 5.800 3.868 3.571 4.186 . 0 0 "[ . 1 . 2]" 1
222 1 11 HIS HD2 1 105 LEU MD1 . . 6.000 3.693 2.646 4.871 . 0 0 "[ . 1 . 2]" 1
223 1 11 HIS HD2 1 105 LEU MD2 . . 6.000 3.852 3.066 4.971 . 0 0 "[ . 1 . 2]" 1
224 1 11 HIS HD2 1 123 TYR QE . . 6.900 2.547 2.231 3.133 . 0 0 "[ . 1 . 2]" 1
225 1 11 HIS HD2 1 123 TYR HH . . 4.300 3.281 3.028 3.664 . 0 0 "[ . 1 . 2]" 1
226 1 11 HIS HE1 1 68 VAL HA . . 5.000 4.281 3.906 4.701 . 0 0 "[ . 1 . 2]" 1
227 1 11 HIS HE1 1 68 VAL MG1 . . 4.900 2.695 2.327 3.091 . 0 0 "[ . 1 . 2]" 1
228 1 11 HIS HE1 1 68 VAL MG2 . . 3.600 2.166 2.054 2.397 . 0 0 "[ . 1 . 2]" 1
229 1 11 HIS HE1 1 71 TRP HE3 . . 4.900 3.631 3.111 4.346 . 0 0 "[ . 1 . 2]" 1
230 1 11 HIS HE1 1 71 TRP HZ3 . . 3.500 2.477 2.139 3.161 . 0 0 "[ . 1 . 2]" 1
231 1 11 HIS HE1 1 97 VAL MG2 . . 6.000 3.740 3.288 4.677 . 0 0 "[ . 1 . 2]" 1
232 1 11 HIS HE1 1 105 LEU MD1 . . 5.200 3.272 2.740 3.956 . 0 0 "[ . 1 . 2]" 1
233 1 11 HIS HE1 1 105 LEU MD2 . . 5.200 3.356 2.816 4.216 . 0 0 "[ . 1 . 2]" 1
234 1 11 HIS HE1 1 123 TYR HH . . 3.800 2.973 2.369 3.297 . 0 0 "[ . 1 . 2]" 1
235 1 12 ASN H 1 12 ASN HB2 . . 3.500 2.372 2.286 2.524 . 0 0 "[ . 1 . 2]" 1
236 1 12 ASN H 1 12 ASN HB3 . . 4.200 3.579 3.542 3.647 . 0 0 "[ . 1 . 2]" 1
237 1 12 ASN H 1 13 ASP H . . 3.400 2.676 2.476 2.799 . 0 0 "[ . 1 . 2]" 1
238 1 12 ASN HA 1 15 ARG H . . 4.300 3.525 3.319 3.819 . 0 0 "[ . 1 . 2]" 1
239 1 12 ASN HA 1 15 ARG HD2 . . 5.000 4.261 3.198 5.075 0.075 9 0 "[ . 1 . 2]" 1
240 1 12 ASN HA 1 15 ARG HD3 . . 5.000 3.764 2.674 5.096 0.096 8 0 "[ . 1 . 2]" 1
241 1 12 ASN HA 1 22 PRO HA . . 4.400 3.627 2.869 4.476 0.076 9 0 "[ . 1 . 2]" 1
242 1 12 ASN HB2 1 13 ASP H . . 4.700 2.827 2.603 3.056 . 0 0 "[ . 1 . 2]" 1
243 1 12 ASN HD21 1 22 PRO QB . . 5.880 4.358 3.464 5.344 . 0 0 "[ . 1 . 2]" 1
244 1 12 ASN HD21 1 23 MET H . . 5.000 4.752 4.051 5.074 0.074 3 0 "[ . 1 . 2]" 1
245 1 12 ASN HD22 1 22 PRO HB2 . . 5.000 3.588 2.847 4.282 . 0 0 "[ . 1 . 2]" 1
246 1 12 ASN HD22 1 22 PRO HB3 . . 5.000 4.262 3.710 4.862 . 0 0 "[ . 1 . 2]" 1
247 1 12 ASN HD22 1 23 MET H . . 4.400 3.337 2.594 4.310 . 0 0 "[ . 1 . 2]" 1
248 1 13 ASP H 1 13 ASP HB2 . . 3.100 2.150 2.061 2.242 . 0 0 "[ . 1 . 2]" 1
249 1 13 ASP H 1 13 ASP HB3 . . 3.100 3.077 3.018 3.124 0.024 10 0 "[ . 1 . 2]" 1
250 1 13 ASP H 1 14 ALA H . . 3.100 2.924 2.787 3.080 . 0 0 "[ . 1 . 2]" 1
251 1 13 ASP HA 1 13 ASP HB2 . . 2.900 2.725 2.700 2.764 . 0 0 "[ . 1 . 2]" 1
252 1 13 ASP HA 1 13 ASP HB3 . . 2.900 2.969 2.959 2.980 0.080 19 0 "[ . 1 . 2]" 1
253 1 13 ASP HA 1 16 ALA H . . 4.000 3.519 3.297 3.943 . 0 0 "[ . 1 . 2]" 1
254 1 13 ASP HA 1 16 ALA MB . . 3.600 2.553 2.426 2.682 . 0 0 "[ . 1 . 2]" 1
255 1 13 ASP HA 1 17 GLN QE . . 5.870 3.635 2.743 5.301 . 0 0 "[ . 1 . 2]" 1
256 1 13 ASP HB2 1 14 ALA H . . 3.300 3.240 3.115 3.356 0.056 16 0 "[ . 1 . 2]" 1
257 1 13 ASP HB2 1 16 ALA MB . . 6.000 4.898 4.829 4.946 . 0 0 "[ . 1 . 2]" 1
258 1 13 ASP HB2 1 17 GLN HE21 . . 6.750 4.898 4.041 6.702 . 0 0 "[ . 1 . 2]" 1
259 1 13 ASP HB2 1 17 GLN HE22 . . 6.750 5.368 4.099 6.761 0.011 19 0 "[ . 1 . 2]" 1
260 1 13 ASP HB3 1 14 ALA H . . 3.300 2.270 2.098 2.452 . 0 0 "[ . 1 . 2]" 1
261 1 13 ASP HB3 1 16 ALA MB . . 6.000 4.831 4.776 4.877 . 0 0 "[ . 1 . 2]" 1
262 1 13 ASP HB3 1 17 GLN HE21 . . 6.750 3.715 2.783 5.207 . 0 0 "[ . 1 . 2]" 1
263 1 13 ASP HB3 1 17 GLN HE22 . . 6.750 4.118 2.803 5.740 . 0 0 "[ . 1 . 2]" 1
264 1 13 ASP QB 1 17 GLN QE . . 5.810 3.234 2.553 4.377 . 0 0 "[ . 1 . 2]" 1
265 1 14 ALA H 1 14 ALA MB . . 3.400 2.211 2.174 2.249 . 0 0 "[ . 1 . 2]" 1
266 1 14 ALA H 1 15 ARG H . . 3.200 2.817 2.691 2.944 . 0 0 "[ . 1 . 2]" 1
267 1 14 ALA H 1 16 ALA H . . 5.000 4.236 4.000 4.425 . 0 0 "[ . 1 . 2]" 1
268 1 14 ALA H 1 72 VAL MG2 . . 6.000 4.095 3.400 4.619 . 0 0 "[ . 1 . 2]" 1
269 1 14 ALA HA 1 17 GLN H . . 5.000 3.485 3.185 3.756 . 0 0 "[ . 1 . 2]" 1
270 1 14 ALA HA 1 17 GLN HB2 . . 4.300 2.981 2.574 4.369 0.069 19 0 "[ . 1 . 2]" 1
271 1 14 ALA HA 1 17 GLN HB3 . . 4.300 4.172 2.853 4.383 0.083 9 0 "[ . 1 . 2]" 1
272 1 14 ALA HA 1 17 GLN QB . . 3.870 2.794 2.551 3.040 . 0 0 "[ . 1 . 2]" 1
273 1 14 ALA HA 1 17 GLN HG2 . . 5.000 3.845 2.169 5.074 0.074 8 0 "[ . 1 . 2]" 1
274 1 14 ALA HA 1 17 GLN HG3 . . 5.000 3.805 2.627 5.065 0.065 2 0 "[ . 1 . 2]" 1
275 1 14 ALA HA 1 72 VAL MG1 . . 6.000 3.818 3.300 4.179 . 0 0 "[ . 1 . 2]" 1
276 1 14 ALA HA 1 72 VAL MG2 . . 6.000 4.155 3.522 4.854 . 0 0 "[ . 1 . 2]" 1
277 1 14 ALA MB 1 15 ARG H . . 4.000 2.485 2.314 2.626 . 0 0 "[ . 1 . 2]" 1
278 1 14 ALA MB 1 15 ARG HA . . 6.000 3.917 3.755 4.040 . 0 0 "[ . 1 . 2]" 1
279 1 14 ALA MB 1 72 VAL MG1 . . 4.600 2.871 2.758 2.951 . 0 0 "[ . 1 . 2]" 1
280 1 14 ALA MB 1 72 VAL MG2 . . 4.600 2.260 1.932 2.698 . 0 0 "[ . 1 . 2]" 1
281 1 14 ALA MB 1 94 TYR QE . . 8.000 2.432 2.142 5.158 . 0 0 "[ . 1 . 2]" 1
282 1 14 ALA MB 1 97 VAL MG1 . . 4.700 2.177 1.946 2.651 . 0 0 "[ . 1 . 2]" 1
283 1 14 ALA MB 1 98 VAL MG2 . . 4.900 2.654 2.306 3.008 . 0 0 "[ . 1 . 2]" 1
284 1 15 ARG H 1 15 ARG HB2 . . 3.000 2.342 2.263 2.412 . 0 0 "[ . 1 . 2]" 1
285 1 15 ARG H 1 15 ARG HB3 . . 3.700 3.566 3.520 3.598 . 0 0 "[ . 1 . 2]" 1
286 1 15 ARG H 1 15 ARG HG2 . . 3.900 3.613 3.418 3.871 . 0 0 "[ . 1 . 2]" 1
287 1 15 ARG H 1 15 ARG HG3 . . 3.300 2.395 2.177 2.703 . 0 0 "[ . 1 . 2]" 1
288 1 15 ARG H 1 15 ARG QD . . 5.880 3.779 3.297 4.363 . 0 0 "[ . 1 . 2]" 1
289 1 15 ARG H 1 98 VAL MG2 . . 6.000 3.372 3.100 3.646 . 0 0 "[ . 1 . 2]" 1
290 1 15 ARG HA 1 15 ARG HG2 . . 3.600 2.360 2.207 2.559 . 0 0 "[ . 1 . 2]" 1
291 1 15 ARG HA 1 15 ARG HG3 . . 3.300 2.814 2.630 3.085 . 0 0 "[ . 1 . 2]" 1
292 1 15 ARG HA 1 18 VAL H . . 4.800 3.458 3.264 3.584 . 0 0 "[ . 1 . 2]" 1
293 1 15 ARG HA 1 18 VAL MG2 . . 3.700 2.422 2.157 2.652 . 0 0 "[ . 1 . 2]" 1
294 1 15 ARG HA 1 19 GLY H . . 5.000 4.737 3.816 5.066 0.066 10 0 "[ . 1 . 2]" 1
295 1 15 ARG HA 1 20 VAL HB . . 3.300 2.484 2.222 3.098 . 0 0 "[ . 1 . 2]" 1
296 1 15 ARG HA 1 20 VAL MG1 . . 6.000 3.804 3.243 4.599 . 0 0 "[ . 1 . 2]" 1
297 1 15 ARG HA 1 20 VAL MG2 . . 6.000 3.389 2.969 3.785 . 0 0 "[ . 1 . 2]" 1
298 1 15 ARG HA 1 98 VAL HA . . 4.000 3.607 3.212 3.940 . 0 0 "[ . 1 . 2]" 1
299 1 15 ARG HA 1 98 VAL HB . . 5.000 4.796 4.654 5.032 0.032 7 0 "[ . 1 . 2]" 1
300 1 15 ARG HA 1 98 VAL MG2 . . 3.600 2.126 2.047 2.274 . 0 0 "[ . 1 . 2]" 1
301 1 15 ARG HB2 1 98 VAL HA . . 5.000 4.735 4.566 4.949 . 0 0 "[ . 1 . 2]" 1
302 1 15 ARG HB3 1 15 ARG HE . . 5.000 3.532 2.477 4.640 . 0 0 "[ . 1 . 2]" 1
303 1 15 ARG HB3 1 16 ALA H . . 4.300 3.586 3.377 3.825 . 0 0 "[ . 1 . 2]" 1
304 1 15 ARG HB3 1 20 VAL MG1 . . 6.000 2.869 2.272 4.003 . 0 0 "[ . 1 . 2]" 1
305 1 15 ARG HG2 1 20 VAL MG1 . . 6.000 2.707 2.241 3.503 . 0 0 "[ . 1 . 2]" 1
306 1 15 ARG HG2 1 98 VAL HA . . 2.700 2.226 2.092 2.528 . 0 0 "[ . 1 . 2]" 1
307 1 15 ARG HG2 1 98 VAL MG2 . . 6.000 2.385 1.983 2.890 . 0 0 "[ . 1 . 2]" 1
308 1 15 ARG HG3 1 98 VAL HA . . 3.700 2.390 2.172 2.664 . 0 0 "[ . 1 . 2]" 1
309 1 15 ARG HG3 1 98 VAL MG2 . . 6.000 2.756 2.227 3.202 . 0 0 "[ . 1 . 2]" 1
310 1 15 ARG HD2 1 23 MET HG2 . . 6.750 3.670 2.380 5.241 . 0 0 "[ . 1 . 2]" 1
311 1 15 ARG HD2 1 23 MET HG3 . . 6.750 4.888 3.815 6.150 . 0 0 "[ . 1 . 2]" 1
312 1 15 ARG HD2 1 98 VAL HA . . 5.000 3.576 2.836 4.737 . 0 0 "[ . 1 . 2]" 1
313 1 15 ARG HD3 1 23 MET HG2 . . 6.750 3.688 2.476 4.864 . 0 0 "[ . 1 . 2]" 1
314 1 15 ARG HD3 1 23 MET HG3 . . 6.750 4.980 3.484 6.501 . 0 0 "[ . 1 . 2]" 1
315 1 15 ARG HD3 1 98 VAL HA . . 5.000 4.126 2.868 4.603 . 0 0 "[ . 1 . 2]" 1
316 1 15 ARG QD 1 23 MET QG . . 5.810 3.069 2.301 4.062 . 0 0 "[ . 1 . 2]" 1
317 1 15 ARG QD 1 99 TRP H . . 5.880 5.083 4.641 5.370 . 0 0 "[ . 1 . 2]" 1
318 1 15 ARG HE 1 20 VAL MG1 . . 4.700 2.736 2.014 3.851 . 0 0 "[ . 1 . 2]" 1
319 1 15 ARG HE 1 22 PRO HA . . 5.000 4.206 2.338 5.090 0.090 3 0 "[ . 1 . 2]" 1
320 1 16 ALA H 1 16 ALA MB . . 3.400 2.236 2.155 2.304 . 0 0 "[ . 1 . 2]" 1
321 1 16 ALA H 1 17 GLN H . . 3.100 2.731 2.477 2.870 . 0 0 "[ . 1 . 2]" 1
322 1 16 ALA HA 1 17 GLN H . . 3.600 3.566 3.488 3.596 . 0 0 "[ . 1 . 2]" 1
323 1 16 ALA HA 1 19 GLY H . . 3.500 3.239 2.976 3.502 0.002 17 0 "[ . 1 . 2]" 1
324 1 16 ALA MB 1 17 GLN HA . . 5.600 3.846 3.732 4.150 . 0 0 "[ . 1 . 2]" 1
325 1 17 GLN H 1 17 GLN HB2 . . 3.700 2.566 2.113 3.367 . 0 0 "[ . 1 . 2]" 1
326 1 17 GLN H 1 17 GLN HB3 . . 3.700 3.437 2.020 3.658 . 0 0 "[ . 1 . 2]" 1
327 1 17 GLN H 1 17 GLN QB . . 3.210 2.393 2.004 2.646 . 0 0 "[ . 1 . 2]" 1
328 1 17 GLN H 1 17 GLN HG2 . . 4.300 3.317 2.145 4.198 . 0 0 "[ . 1 . 2]" 1
329 1 17 GLN H 1 17 GLN HG3 . . 4.300 3.153 2.227 4.365 0.065 3 0 "[ . 1 . 2]" 1
330 1 17 GLN H 1 17 GLN QG . . 4.010 2.569 2.130 3.637 . 0 0 "[ . 1 . 2]" 1
331 1 17 GLN H 1 18 VAL H . . 3.000 2.875 2.438 3.017 0.017 15 0 "[ . 1 . 2]" 1
332 1 17 GLN HA 1 17 GLN HB2 . . 3.000 2.948 2.194 3.047 0.047 16 0 "[ . 1 . 2]" 1
333 1 17 GLN HA 1 17 GLN HB3 . . 3.000 2.547 2.442 2.792 . 0 0 "[ . 1 . 2]" 1
334 1 17 GLN HA 1 17 GLN HG2 . . 3.900 3.043 2.342 3.734 . 0 0 "[ . 1 . 2]" 1
335 1 17 GLN HA 1 17 GLN HG3 . . 3.900 3.035 2.274 3.839 . 0 0 "[ . 1 . 2]" 1
336 1 17 GLN HA 1 17 GLN QG . . 3.410 2.644 2.207 3.187 . 0 0 "[ . 1 . 2]" 1
337 1 17 GLN HA 1 18 VAL H . . 3.600 3.507 3.331 3.568 . 0 0 "[ . 1 . 2]" 1
338 1 17 GLN HA 1 18 VAL MG2 . . 6.000 4.918 4.873 4.945 . 0 0 "[ . 1 . 2]" 1
339 1 17 GLN HB2 1 18 VAL H . . 4.600 3.226 2.456 4.566 . 0 0 "[ . 1 . 2]" 1
340 1 17 GLN HB2 1 18 VAL MG1 . . 6.000 3.600 2.944 4.817 . 0 0 "[ . 1 . 2]" 1
341 1 17 GLN HB3 1 18 VAL H . . 4.600 3.860 3.363 4.319 . 0 0 "[ . 1 . 2]" 1
342 1 17 GLN HB3 1 18 VAL MG1 . . 6.000 3.620 2.843 4.781 . 0 0 "[ . 1 . 2]" 1
343 1 17 GLN QB 1 18 VAL H . . 4.270 3.026 2.405 3.743 . 0 0 "[ . 1 . 2]" 1
344 1 18 VAL H 1 18 VAL MG1 . . 4.600 3.020 2.730 3.430 . 0 0 "[ . 1 . 2]" 1
345 1 18 VAL H 1 18 VAL MG2 . . 3.400 2.137 1.945 2.458 . 0 0 "[ . 1 . 2]" 1
346 1 18 VAL H 1 19 GLY H . . 2.800 2.345 1.976 2.671 . 0 0 "[ . 1 . 2]" 1
347 1 18 VAL H 1 20 VAL H . . 4.000 3.551 3.133 4.066 0.066 13 0 "[ . 1 . 2]" 1
348 1 18 VAL HA 1 18 VAL HB . . 2.500 2.508 2.412 2.543 0.043 14 0 "[ . 1 . 2]" 1
349 1 18 VAL HA 1 18 VAL MG1 . . 3.400 2.245 2.195 2.398 . 0 0 "[ . 1 . 2]" 1
350 1 18 VAL HA 1 19 GLY H . . 3.500 3.175 2.889 3.529 0.029 6 0 "[ . 1 . 2]" 1
351 1 18 VAL HA 1 135 TYR QE . . 7.000 5.695 4.858 6.581 . 0 0 "[ . 1 . 2]" 1
352 1 18 VAL HB 1 20 VAL H . . 4.900 4.678 4.316 4.964 0.064 13 0 "[ . 1 . 2]" 1
353 1 18 VAL HB 1 78 TYR QE . . 7.000 4.669 3.880 5.394 . 0 0 "[ . 1 . 2]" 1
354 1 18 VAL HB 1 135 TYR QD . . 7.000 2.932 2.123 4.416 . 0 0 "[ . 1 . 2]" 1
355 1 18 VAL HB 1 135 TYR QE . . 6.700 4.280 2.709 5.217 . 0 0 "[ . 1 . 2]" 1
356 1 18 VAL MG1 1 80 TYR QE . . 8.000 3.956 2.879 4.773 . 0 0 "[ . 1 . 2]" 1
357 1 18 VAL MG1 1 135 TYR QD . . 8.000 3.017 2.189 4.255 . 0 0 "[ . 1 . 2]" 1
358 1 18 VAL MG1 1 135 TYR QE . . 8.000 3.054 2.188 4.085 . 0 0 "[ . 1 . 2]" 1
359 1 18 VAL MG2 1 19 GLY H . . 5.200 3.362 2.371 3.821 . 0 0 "[ . 1 . 2]" 1
360 1 18 VAL MG2 1 20 VAL H . . 6.000 2.867 2.447 3.341 . 0 0 "[ . 1 . 2]" 1
361 1 18 VAL MG2 1 20 VAL HB . . 5.000 2.791 2.396 3.553 . 0 0 "[ . 1 . 2]" 1
362 1 18 VAL MG2 1 20 VAL MG1 . . 7.000 3.808 3.499 4.249 . 0 0 "[ . 1 . 2]" 1
363 1 18 VAL MG2 1 20 VAL MG2 . . 4.400 2.024 1.908 2.136 . 0 0 "[ . 1 . 2]" 1
364 1 18 VAL MG2 1 98 VAL HB . . 4.600 3.864 3.814 3.936 . 0 0 "[ . 1 . 2]" 1
365 1 18 VAL MG2 1 135 TYR QD . . 8.000 3.146 2.084 4.070 . 0 0 "[ . 1 . 2]" 1
366 1 18 VAL MG2 1 135 TYR QE . . 8.000 4.300 2.536 5.007 . 0 0 "[ . 1 . 2]" 1
367 1 19 GLY H 1 19 GLY HA2 . . 2.800 2.273 2.224 2.353 . 0 0 "[ . 1 . 2]" 1
368 1 19 GLY H 1 20 VAL H . . 3.000 2.795 2.377 3.065 0.065 8 0 "[ . 1 . 2]" 1
369 1 20 VAL H 1 20 VAL HB . . 2.900 2.444 2.249 2.800 . 0 0 "[ . 1 . 2]" 1
370 1 20 VAL H 1 20 VAL MG2 . . 4.500 2.749 2.408 3.103 . 0 0 "[ . 1 . 2]" 1
371 1 20 VAL HA 1 20 VAL HB . . 3.000 3.036 3.000 3.053 0.053 6 0 "[ . 1 . 2]" 1
372 1 20 VAL HA 1 20 VAL MG1 . . 3.500 2.429 2.294 2.610 . 0 0 "[ . 1 . 2]" 1
373 1 20 VAL HA 1 20 VAL MG2 . . 3.400 2.407 2.241 2.537 . 0 0 "[ . 1 . 2]" 1
374 1 20 VAL HA 1 21 GLY H . . 2.700 2.299 2.206 2.478 . 0 0 "[ . 1 . 2]" 1
375 1 20 VAL HB 1 135 TYR QD . . 7.000 6.052 5.319 6.480 . 0 0 "[ . 1 . 2]" 1
376 1 20 VAL MG1 1 21 GLY H . . 4.600 2.397 2.020 3.025 . 0 0 "[ . 1 . 2]" 1
377 1 20 VAL MG1 1 98 VAL HA . . 6.000 3.899 3.120 4.325 . 0 0 "[ . 1 . 2]" 1
378 1 20 VAL MG1 1 100 ARG HA . . 3.400 2.121 1.998 2.364 . 0 0 "[ . 1 . 2]" 1
379 1 20 VAL MG1 1 100 ARG HB2 . . 4.500 2.465 1.995 3.333 . 0 0 "[ . 1 . 2]" 1
380 1 20 VAL MG1 1 100 ARG HB3 . . 6.000 3.733 3.352 4.470 . 0 0 "[ . 1 . 2]" 1
381 1 20 VAL MG1 1 100 ARG HG2 . . 6.000 3.329 2.136 4.352 . 0 0 "[ . 1 . 2]" 1
382 1 20 VAL MG1 1 100 ARG HG3 . . 6.000 2.837 2.080 4.496 . 0 0 "[ . 1 . 2]" 1
383 1 20 VAL MG1 1 100 ARG QG . . 5.590 2.571 2.002 3.938 . 0 0 "[ . 1 . 2]" 1
384 1 20 VAL MG1 1 135 TYR QD . . 8.000 5.421 4.709 6.028 . 0 0 "[ . 1 . 2]" 1
385 1 20 VAL MG2 1 21 GLY H . . 6.000 3.937 3.763 4.152 . 0 0 "[ . 1 . 2]" 1
386 1 20 VAL MG2 1 80 TYR QE . . 8.000 4.130 2.514 5.173 . 0 0 "[ . 1 . 2]" 1
387 1 20 VAL MG2 1 98 VAL HA . . 6.000 4.277 3.931 4.555 . 0 0 "[ . 1 . 2]" 1
388 1 20 VAL MG2 1 98 VAL HB . . 6.000 4.812 4.775 4.860 . 0 0 "[ . 1 . 2]" 1
389 1 20 VAL MG2 1 100 ARG H . . 6.000 3.800 3.419 4.195 . 0 0 "[ . 1 . 2]" 1
390 1 20 VAL MG2 1 100 ARG HA . . 5.200 3.842 3.393 4.319 . 0 0 "[ . 1 . 2]" 1
391 1 20 VAL MG2 1 100 ARG HB2 . . 4.900 2.818 2.237 3.571 . 0 0 "[ . 1 . 2]" 1
392 1 20 VAL MG2 1 100 ARG HB3 . . 6.000 4.264 3.732 4.903 . 0 0 "[ . 1 . 2]" 1
393 1 20 VAL MG2 1 135 TYR HA . . 5.800 2.580 2.164 3.804 . 0 0 "[ . 1 . 2]" 1
394 1 20 VAL MG2 1 135 TYR HB2 . . 4.200 2.473 2.252 2.789 . 0 0 "[ . 1 . 2]" 1
395 1 20 VAL MG2 1 135 TYR HB3 . . 4.200 2.355 2.105 2.886 . 0 0 "[ . 1 . 2]" 1
396 1 20 VAL MG2 1 135 TYR QD . . 8.000 3.651 2.750 4.172 . 0 0 "[ . 1 . 2]" 1
397 1 20 VAL MG2 1 135 TYR QE . . 8.000 5.311 4.439 5.705 . 0 0 "[ . 1 . 2]" 1
398 1 21 GLY HA2 1 22 PRO HD2 . . 3.500 2.650 2.456 2.990 . 0 0 "[ . 1 . 2]" 1
399 1 21 GLY HA2 1 22 PRO HD3 . . 3.500 2.337 2.223 2.451 . 0 0 "[ . 1 . 2]" 1
400 1 21 GLY HA3 1 22 PRO HD2 . . 3.500 2.706 2.320 2.954 . 0 0 "[ . 1 . 2]" 1
401 1 21 GLY HA3 1 22 PRO HD3 . . 3.500 3.402 3.026 3.562 0.062 13 0 "[ . 1 . 2]" 1
402 1 21 GLY QA 1 22 PRO QD . . 3.010 2.069 2.028 2.126 . 0 0 "[ . 1 . 2]" 1
403 1 22 PRO HA 1 23 MET H . . 3.000 2.701 2.451 3.073 0.073 17 0 "[ . 1 . 2]" 1
404 1 23 MET H 1 23 MET HB2 . . 3.900 3.777 3.613 3.928 0.028 4 0 "[ . 1 . 2]" 1
405 1 23 MET H 1 23 MET HG2 . . 5.000 2.707 2.047 3.123 . 0 0 "[ . 1 . 2]" 1
406 1 23 MET H 1 23 MET HG3 . . 5.000 2.903 2.309 3.940 . 0 0 "[ . 1 . 2]" 1
407 1 23 MET HA 1 23 MET ME . . 6.000 4.181 3.947 4.580 . 0 0 "[ . 1 . 2]" 1
408 1 23 MET HA 1 24 SER H . . 2.800 2.501 2.315 2.779 . 0 0 "[ . 1 . 2]" 1
409 1 23 MET HA 1 103 VAL MG1 . . 6.000 3.830 3.148 4.718 . 0 0 "[ . 1 . 2]" 1
410 1 23 MET HA 1 103 VAL MG2 . . 6.000 4.853 4.385 5.089 . 0 0 "[ . 1 . 2]" 1
411 1 23 MET HB3 1 24 SER H . . 3.500 3.424 3.206 3.567 0.067 4 0 "[ . 1 . 2]" 1
412 1 23 MET QG 1 103 VAL HA . . 5.880 4.353 3.383 4.744 . 0 0 "[ . 1 . 2]" 1
413 1 23 MET ME 1 102 SER HB2 . . 5.700 3.474 2.640 4.434 . 0 0 "[ . 1 . 2]" 1
414 1 23 MET ME 1 102 SER HB3 . . 5.700 3.623 2.739 4.848 . 0 0 "[ . 1 . 2]" 1
415 1 23 MET ME 1 102 SER QB . . 5.150 2.999 2.589 3.678 . 0 0 "[ . 1 . 2]" 1
416 1 23 MET ME 1 103 VAL HA . . 5.000 3.369 2.747 3.953 . 0 0 "[ . 1 . 2]" 1
417 1 23 MET ME 1 104 ARG H . . 6.000 3.682 2.390 4.360 . 0 0 "[ . 1 . 2]" 1
418 1 23 MET ME 1 105 LEU HB2 . . 3.600 2.299 1.964 2.912 . 0 0 "[ . 1 . 2]" 1
419 1 23 MET ME 1 105 LEU HB3 . . 5.000 3.454 2.225 4.142 . 0 0 "[ . 1 . 2]" 1
420 1 23 MET ME 1 105 LEU MD1 . . 6.200 3.120 2.342 4.117 . 0 0 "[ . 1 . 2]" 1
421 1 23 MET ME 1 105 LEU MD2 . . 6.200 3.259 2.097 4.076 . 0 0 "[ . 1 . 2]" 1
422 1 23 MET ME 1 105 LEU QD . . 5.360 2.696 2.060 3.454 . 0 0 "[ . 1 . 2]" 1
423 1 23 MET ME 1 123 TYR HA . . 6.000 4.450 3.846 4.887 . 0 0 "[ . 1 . 2]" 1
424 1 23 MET ME 1 123 TYR QD . . 6.900 2.481 2.138 3.338 . 0 0 "[ . 1 . 2]" 1
425 1 23 MET ME 1 123 TYR QE . . 8.000 2.873 2.256 4.314 . 0 0 "[ . 1 . 2]" 1
426 1 24 SER H 1 24 SER HB3 . . 3.800 2.811 2.246 3.126 . 0 0 "[ . 1 . 2]" 1
427 1 24 SER H 1 104 ARG HA . . 3.600 3.343 2.760 3.677 0.077 11 0 "[ . 1 . 2]" 1
428 1 24 SER HA 1 24 SER HB2 . . 2.700 2.223 2.190 2.248 . 0 0 "[ . 1 . 2]" 1
429 1 24 SER HA 1 24 SER HB3 . . 2.800 2.721 2.675 2.875 0.075 9 0 "[ . 1 . 2]" 1
430 1 24 SER HA 1 25 TRP H . . 2.900 2.529 2.322 2.781 . 0 0 "[ . 1 . 2]" 1
431 1 24 SER HB2 1 25 TRP H . . 3.700 2.564 2.446 2.974 . 0 0 "[ . 1 . 2]" 1
432 1 24 SER HB3 1 25 TRP H . . 3.700 3.773 3.740 3.787 0.087 17 0 "[ . 1 . 2]" 1
433 1 25 TRP H 1 25 TRP QB . . 3.800 2.368 2.241 2.572 . 0 0 "[ . 1 . 2]" 1
434 1 25 TRP H 1 26 ASP H . . 5.000 4.470 4.160 4.652 . 0 0 "[ . 1 . 2]" 1
435 1 25 TRP HA 1 25 TRP HZ3 . . 4.400 4.482 4.470 4.489 0.089 17 0 "[ . 1 . 2]" 1
436 1 25 TRP HA 1 26 ASP H . . 2.700 2.331 2.121 2.541 . 0 0 "[ . 1 . 2]" 1
437 1 25 TRP HA 1 105 LEU H . . 3.900 3.327 2.812 3.977 0.077 13 0 "[ . 1 . 2]" 1
438 1 25 TRP HA 1 105 LEU HB3 . . 5.000 3.516 2.330 4.683 . 0 0 "[ . 1 . 2]" 1
439 1 25 TRP HA 1 105 LEU QD . . 7.570 4.116 3.509 4.853 . 0 0 "[ . 1 . 2]" 1
440 1 25 TRP HD1 1 27 ALA HA . . 4.300 3.247 2.694 4.014 . 0 0 "[ . 1 . 2]" 1
441 1 25 TRP HD1 1 27 ALA MB . . 5.900 3.450 2.739 4.406 . 0 0 "[ . 1 . 2]" 1
442 1 25 TRP HD1 1 30 ALA MB . . 6.000 3.842 3.492 4.344 . 0 0 "[ . 1 . 2]" 1
443 1 25 TRP HE3 1 105 LEU QD . . 6.970 3.013 2.360 3.561 . 0 0 "[ . 1 . 2]" 1
444 1 25 TRP HE1 1 27 ALA HA . . 4.000 3.343 2.700 3.865 . 0 0 "[ . 1 . 2]" 1
445 1 25 TRP HE1 1 27 ALA MB . . 6.000 4.346 3.562 4.987 . 0 0 "[ . 1 . 2]" 1
446 1 25 TRP HE1 1 30 ALA MB . . 4.800 2.430 2.127 2.900 . 0 0 "[ . 1 . 2]" 1
447 1 25 TRP HZ3 1 105 LEU HB3 . . 5.000 3.869 2.618 4.625 . 0 0 "[ . 1 . 2]" 1
448 1 25 TRP HZ3 1 105 LEU HG . . 5.000 3.674 2.379 4.851 . 0 0 "[ . 1 . 2]" 1
449 1 25 TRP HZ3 1 105 LEU QD . . 6.270 2.214 1.980 2.701 . 0 0 "[ . 1 . 2]" 1
450 1 25 TRP HZ2 1 30 ALA MB . . 3.900 2.699 2.265 2.938 . 0 0 "[ . 1 . 2]" 1
451 1 25 TRP HZ2 1 106 GLY HA2 . . 5.000 3.610 3.236 4.387 . 0 0 "[ . 1 . 2]" 1
452 1 25 TRP HZ2 1 107 CYS H . . 3.900 2.484 2.151 3.431 . 0 0 "[ . 1 . 2]" 1
453 1 25 TRP HH2 1 30 ALA MB . . 6.000 4.404 3.911 4.811 . 0 0 "[ . 1 . 2]" 1
454 1 25 TRP HH2 1 107 CYS H . . 2.700 2.639 2.275 2.775 0.075 13 0 "[ . 1 . 2]" 1
455 1 25 TRP HH2 1 107 CYS HB2 . . 3.200 2.161 2.072 2.261 . 0 0 "[ . 1 . 2]" 1
456 1 25 TRP HH2 1 107 CYS HB3 . . 3.700 3.766 3.732 3.786 0.086 11 0 "[ . 1 . 2]" 1
457 1 26 ASP H 1 26 ASP HB2 . . 3.500 3.209 2.762 3.523 0.023 6 0 "[ . 1 . 2]" 1
458 1 26 ASP H 1 26 ASP HB3 . . 3.400 2.952 2.350 3.499 0.099 4 0 "[ . 1 . 2]" 1
459 1 26 ASP H 1 105 LEU H . . 4.900 3.133 2.500 4.141 . 0 0 "[ . 1 . 2]" 1
460 1 26 ASP H 1 106 GLY HA2 . . 5.000 3.584 3.028 4.284 . 0 0 "[ . 1 . 2]" 1
461 1 26 ASP HA 1 26 ASP HB2 . . 2.900 2.543 2.351 2.817 . 0 0 "[ . 1 . 2]" 1
462 1 26 ASP HA 1 27 ALA H . . 2.800 2.225 2.067 2.908 0.108 1 0 "[ . 1 . 2]" 1
463 1 26 ASP HB2 1 29 LEU HB2 . . 5.000 3.504 2.083 4.663 . 0 0 "[ . 1 . 2]" 1
464 1 26 ASP HB2 1 29 LEU MD1 . . 5.300 2.894 2.108 3.574 . 0 0 "[ . 1 . 2]" 1
465 1 26 ASP HB2 1 104 ARG QB . . 5.480 2.843 2.121 4.176 . 0 0 "[ . 1 . 2]" 1
466 1 26 ASP HB3 1 29 LEU H . . 4.100 3.191 2.612 4.087 . 0 0 "[ . 1 . 2]" 1
467 1 26 ASP HB3 1 29 LEU HB2 . . 4.600 2.760 2.118 3.788 . 0 0 "[ . 1 . 2]" 1
468 1 26 ASP HB3 1 29 LEU MD1 . . 4.800 2.386 2.072 3.118 . 0 0 "[ . 1 . 2]" 1
469 1 26 ASP HB3 1 29 LEU MD2 . . 6.000 4.531 4.015 5.123 . 0 0 "[ . 1 . 2]" 1
470 1 26 ASP HB3 1 104 ARG QB . . 5.880 2.966 2.319 3.842 . 0 0 "[ . 1 . 2]" 1
471 1 27 ALA H 1 27 ALA MB . . 3.400 2.284 2.174 2.844 . 0 0 "[ . 1 . 2]" 1
472 1 27 ALA H 1 28 ASN H . . 3.600 2.747 2.191 3.656 0.056 1 0 "[ . 1 . 2]" 1
473 1 27 ALA HA 1 30 ALA H . . 3.900 3.437 3.057 3.887 . 0 0 "[ . 1 . 2]" 1
474 1 27 ALA HA 1 30 ALA MB . . 3.400 2.412 2.190 2.675 . 0 0 "[ . 1 . 2]" 1
475 1 28 ASN H 1 28 ASN HB2 . . 2.900 2.536 2.230 2.812 . 0 0 "[ . 1 . 2]" 1
476 1 28 ASN H 1 28 ASN HB3 . . 3.600 3.616 3.524 3.669 0.069 13 0 "[ . 1 . 2]" 1
477 1 28 ASN H 1 29 LEU H . . 3.000 2.590 2.320 2.862 . 0 0 "[ . 1 . 2]" 1
478 1 28 ASN H 1 29 LEU HG . . 5.000 4.763 4.132 5.066 0.066 16 0 "[ . 1 . 2]" 1
479 1 28 ASN HA 1 28 ASN HB2 . . 3.000 3.049 3.023 3.065 0.065 10 0 "[ . 1 . 2]" 1
480 1 28 ASN HA 1 28 ASN HB3 . . 2.700 2.482 2.353 2.691 . 0 0 "[ . 1 . 2]" 1
481 1 28 ASN HA 1 31 SER H . . 3.900 3.332 2.930 3.705 . 0 0 "[ . 1 . 2]" 1
482 1 28 ASN HA 1 31 SER HB2 . . 4.400 4.300 3.654 4.479 0.079 10 0 "[ . 1 . 2]" 1
483 1 28 ASN HA 1 31 SER HB3 . . 3.100 3.130 2.756 3.187 0.087 5 0 "[ . 1 . 2]" 1
484 1 28 ASN HB2 1 29 LEU H . . 3.500 2.530 2.282 2.819 . 0 0 "[ . 1 . 2]" 1
485 1 28 ASN HB3 1 29 LEU H . . 3.900 3.560 3.014 3.969 0.069 6 0 "[ . 1 . 2]" 1
486 1 29 LEU H 1 29 LEU HB2 . . 2.800 2.358 2.161 2.470 . 0 0 "[ . 1 . 2]" 1
487 1 29 LEU H 1 29 LEU HB3 . . 3.500 3.564 3.525 3.583 0.083 1 0 "[ . 1 . 2]" 1
488 1 29 LEU H 1 29 LEU HG . . 3.400 2.522 2.176 3.005 . 0 0 "[ . 1 . 2]" 1
489 1 29 LEU H 1 30 ALA H . . 3.300 2.721 2.356 2.876 . 0 0 "[ . 1 . 2]" 1
490 1 29 LEU H 1 31 SER H . . 4.600 4.277 3.850 4.431 . 0 0 "[ . 1 . 2]" 1
491 1 29 LEU HA 1 29 LEU HB3 . . 3.000 2.556 2.457 2.615 . 0 0 "[ . 1 . 2]" 1
492 1 29 LEU HA 1 29 LEU HG . . 3.700 2.913 2.336 3.285 . 0 0 "[ . 1 . 2]" 1
493 1 29 LEU HA 1 29 LEU MD2 . . 3.400 2.181 2.020 2.334 . 0 0 "[ . 1 . 2]" 1
494 1 29 LEU HA 1 31 SER H . . 5.000 4.530 4.291 4.700 . 0 0 "[ . 1 . 2]" 1
495 1 29 LEU HA 1 32 ARG H . . 3.500 3.411 2.987 3.574 0.074 2 0 "[ . 1 . 2]" 1
496 1 29 LEU HA 1 32 ARG HB2 . . 3.500 2.940 2.087 3.569 0.069 15 0 "[ . 1 . 2]" 1
497 1 29 LEU HA 1 32 ARG HB3 . . 3.300 2.811 2.373 3.227 . 0 0 "[ . 1 . 2]" 1
498 1 29 LEU HA 1 32 ARG QG . . 5.880 4.189 3.680 4.795 . 0 0 "[ . 1 . 2]" 1
499 1 29 LEU HA 1 32 ARG QD . . 5.880 3.696 2.742 4.387 . 0 0 "[ . 1 . 2]" 1
500 1 29 LEU HA 1 33 ALA H . . 5.000 3.824 3.615 4.000 . 0 0 "[ . 1 . 2]" 1
501 1 29 LEU HA 1 106 GLY HA3 . . 5.000 4.359 4.034 4.919 . 0 0 "[ . 1 . 2]" 1
502 1 29 LEU HB2 1 106 GLY HA3 . . 4.100 2.378 2.122 3.225 . 0 0 "[ . 1 . 2]" 1
503 1 29 LEU HB3 1 30 ALA H . . 3.900 3.502 3.267 3.730 . 0 0 "[ . 1 . 2]" 1
504 1 29 LEU HB3 1 106 GLY HA2 . . 5.000 4.270 3.864 4.946 . 0 0 "[ . 1 . 2]" 1
505 1 29 LEU HB3 1 106 GLY HA3 . . 4.400 2.631 2.169 3.316 . 0 0 "[ . 1 . 2]" 1
506 1 29 LEU HB3 1 122 ASN HB2 . . 4.600 3.583 2.206 4.656 0.056 5 0 "[ . 1 . 2]" 1
507 1 29 LEU HB3 1 122 ASN HB3 . . 5.000 2.962 2.266 4.220 . 0 0 "[ . 1 . 2]" 1
508 1 29 LEU MD1 1 104 ARG HA . . 6.000 3.908 3.467 4.643 . 0 0 "[ . 1 . 2]" 1
509 1 29 LEU MD1 1 104 ARG HB2 . . 6.000 2.434 2.101 3.010 . 0 0 "[ . 1 . 2]" 1
510 1 29 LEU MD1 1 104 ARG HB3 . . 6.000 2.261 1.971 3.545 . 0 0 "[ . 1 . 2]" 1
511 1 29 LEU MD1 1 104 ARG QB . . 5.690 2.025 1.855 2.494 . 0 0 "[ . 1 . 2]" 1
512 1 29 LEU MD1 1 105 LEU HA . . 6.000 3.122 2.344 4.216 . 0 0 "[ . 1 . 2]" 1
513 1 29 LEU MD1 1 105 LEU QD . . 8.570 4.234 3.433 5.177 . 0 0 "[ . 1 . 2]" 1
514 1 29 LEU MD1 1 122 ASN HB3 . . 6.000 3.649 2.380 4.743 . 0 0 "[ . 1 . 2]" 1
515 1 29 LEU MD1 1 123 TYR HA . . 5.300 2.836 2.141 3.942 . 0 0 "[ . 1 . 2]" 1
516 1 29 LEU MD1 1 124 ASP H . . 5.700 2.956 2.314 3.951 . 0 0 "[ . 1 . 2]" 1
517 1 29 LEU MD1 1 124 ASP QB . . 5.500 2.326 1.849 3.853 . 0 0 "[ . 1 . 2]" 1
518 1 29 LEU MD2 1 32 ARG HD2 . . 6.000 4.164 2.592 4.965 . 0 0 "[ . 1 . 2]" 1
519 1 29 LEU MD2 1 32 ARG HD3 . . 6.000 4.250 2.459 4.915 . 0 0 "[ . 1 . 2]" 1
520 1 29 LEU MD2 1 105 LEU HA . . 6.000 4.845 4.632 5.047 . 0 0 "[ . 1 . 2]" 1
521 1 29 LEU MD2 1 106 GLY H . . 6.000 4.473 3.554 4.961 . 0 0 "[ . 1 . 2]" 1
522 1 29 LEU MD2 1 122 ASN HB2 . . 5.100 3.389 2.414 4.146 . 0 0 "[ . 1 . 2]" 1
523 1 29 LEU MD2 1 122 ASN HB3 . . 4.600 2.293 2.022 2.853 . 0 0 "[ . 1 . 2]" 1
524 1 29 LEU MD2 1 123 TYR HA . . 6.000 3.857 3.320 4.490 . 0 0 "[ . 1 . 2]" 1
525 1 29 LEU MD2 1 124 ASP H . . 5.600 4.131 3.443 4.550 . 0 0 "[ . 1 . 2]" 1
526 1 29 LEU MD2 1 124 ASP QB . . 5.800 2.480 2.010 3.747 . 0 0 "[ . 1 . 2]" 1
527 1 30 ALA H 1 30 ALA MB . . 3.400 2.238 2.212 2.263 . 0 0 "[ . 1 . 2]" 1
528 1 30 ALA H 1 106 GLY HA3 . . 3.500 2.524 2.253 2.875 . 0 0 "[ . 1 . 2]" 1
529 1 30 ALA HA 1 33 ALA H . . 3.900 3.498 3.332 3.729 . 0 0 "[ . 1 . 2]" 1
530 1 30 ALA HA 1 33 ALA MB . . 3.800 2.622 2.434 2.850 . 0 0 "[ . 1 . 2]" 1
531 1 30 ALA HA 1 106 GLY HA2 . . 3.600 3.449 3.009 3.654 0.054 2 0 "[ . 1 . 2]" 1
532 1 30 ALA HA 1 106 GLY HA3 . . 3.000 2.877 2.651 3.065 0.065 12 0 "[ . 1 . 2]" 1
533 1 30 ALA HA 1 107 CYS H . . 3.600 3.016 2.506 3.501 . 0 0 "[ . 1 . 2]" 1
534 1 30 ALA MB 1 31 SER H . . 4.200 2.539 2.331 2.759 . 0 0 "[ . 1 . 2]" 1
535 1 30 ALA MB 1 31 SER HA . . 6.000 3.908 3.832 4.013 . 0 0 "[ . 1 . 2]" 1
536 1 30 ALA MB 1 32 ARG H . . 6.000 4.645 4.409 5.007 . 0 0 "[ . 1 . 2]" 1
537 1 30 ALA MB 1 106 GLY HA2 . . 3.700 2.606 2.316 2.757 . 0 0 "[ . 1 . 2]" 1
538 1 30 ALA MB 1 106 GLY HA3 . . 3.800 2.773 2.505 2.999 . 0 0 "[ . 1 . 2]" 1
539 1 30 ALA MB 1 107 CYS H . . 4.100 2.810 2.404 3.285 . 0 0 "[ . 1 . 2]" 1
540 1 31 SER H 1 31 SER HB2 . . 3.400 3.388 2.421 3.488 0.088 8 0 "[ . 1 . 2]" 1
541 1 31 SER H 1 31 SER HB3 . . 3.100 2.278 2.193 2.599 . 0 0 "[ . 1 . 2]" 1
542 1 31 SER H 1 32 ARG H . . 3.200 2.780 2.628 2.953 . 0 0 "[ . 1 . 2]" 1
543 1 31 SER HA 1 31 SER HB2 . . 2.600 2.300 2.227 2.401 . 0 0 "[ . 1 . 2]" 1
544 1 31 SER HA 1 31 SER HB3 . . 2.700 2.621 2.541 2.808 0.108 4 0 "[ . 1 . 2]" 1
545 1 31 SER HA 1 34 GLN H . . 4.400 3.664 3.341 4.050 . 0 0 "[ . 1 . 2]" 1
546 1 31 SER HA 1 34 GLN HB3 . . 3.400 2.938 2.547 3.467 0.067 20 0 "[ . 1 . 2]" 1
547 1 32 ARG H 1 32 ARG HB2 . . 3.000 2.207 2.033 2.419 . 0 0 "[ . 1 . 2]" 1
548 1 32 ARG H 1 32 ARG HB3 . . 3.200 2.801 2.415 3.238 0.038 1 0 "[ . 1 . 2]" 1
549 1 32 ARG H 1 32 ARG QG . . 4.680 3.911 3.768 3.996 . 0 0 "[ . 1 . 2]" 1
550 1 32 ARG H 1 32 ARG HD2 . . 5.000 4.234 3.128 5.093 0.093 8 0 "[ . 1 . 2]" 1
551 1 32 ARG H 1 32 ARG HD3 . . 5.000 4.791 3.617 5.085 0.085 19 0 "[ . 1 . 2]" 1
552 1 32 ARG H 1 33 ALA H . . 3.100 2.843 2.600 3.041 . 0 0 "[ . 1 . 2]" 1
553 1 32 ARG H 1 33 ALA MB . . 6.000 4.455 4.298 4.644 . 0 0 "[ . 1 . 2]" 1
554 1 32 ARG HA 1 32 ARG HB2 . . 2.800 2.666 2.456 2.864 0.064 1 0 "[ . 1 . 2]" 1
555 1 32 ARG HA 1 32 ARG HB3 . . 3.000 3.030 2.959 3.053 0.053 5 0 "[ . 1 . 2]" 1
556 1 32 ARG HA 1 32 ARG HG2 . . 3.800 3.179 2.223 3.733 . 0 0 "[ . 1 . 2]" 1
557 1 32 ARG HA 1 32 ARG HG3 . . 3.800 2.700 2.210 3.645 . 0 0 "[ . 1 . 2]" 1
558 1 32 ARG HA 1 32 ARG QG . . 3.550 2.358 2.186 2.580 . 0 0 "[ . 1 . 2]" 1
559 1 32 ARG HA 1 32 ARG HD2 . . 5.000 3.848 2.313 4.674 . 0 0 "[ . 1 . 2]" 1
560 1 32 ARG HA 1 32 ARG HD3 . . 5.000 4.129 2.952 4.835 . 0 0 "[ . 1 . 2]" 1
561 1 32 ARG HA 1 35 ASN H . . 4.100 3.636 3.357 3.941 . 0 0 "[ . 1 . 2]" 1
562 1 32 ARG HA 1 35 ASN HB2 . . 3.200 2.500 2.332 2.663 . 0 0 "[ . 1 . 2]" 1
563 1 32 ARG HA 1 35 ASN HB3 . . 3.800 3.869 3.814 3.887 0.087 4 0 "[ . 1 . 2]" 1
564 1 32 ARG HA 1 35 ASN QD . . 5.870 4.032 2.968 5.338 . 0 0 "[ . 1 . 2]" 1
565 1 32 ARG HA 1 36 TYR H . . 4.900 3.850 3.566 4.299 . 0 0 "[ . 1 . 2]" 1
566 1 32 ARG HB2 1 32 ARG HD2 . . 4.000 2.635 2.078 3.689 . 0 0 "[ . 1 . 2]" 1
567 1 32 ARG HB2 1 32 ARG HD3 . . 4.000 3.246 2.270 3.888 . 0 0 "[ . 1 . 2]" 1
568 1 32 ARG HB2 1 32 ARG QD . . 3.800 2.458 2.058 3.313 . 0 0 "[ . 1 . 2]" 1
569 1 32 ARG HB2 1 33 ALA H . . 3.800 3.528 3.117 3.850 0.050 17 0 "[ . 1 . 2]" 1
570 1 32 ARG HB3 1 32 ARG HG2 . . 2.800 2.454 2.196 2.896 0.096 15 0 "[ . 1 . 2]" 1
571 1 32 ARG HB3 1 32 ARG HG3 . . 2.800 2.735 2.534 2.899 0.099 13 0 "[ . 1 . 2]" 1
572 1 32 ARG HB3 1 32 ARG QD . . 3.860 2.771 2.165 3.362 . 0 0 "[ . 1 . 2]" 1
573 1 32 ARG HB3 1 33 ALA H . . 3.300 2.459 2.246 2.699 . 0 0 "[ . 1 . 2]" 1
574 1 33 ALA H 1 33 ALA MB . . 3.600 2.212 2.187 2.254 . 0 0 "[ . 1 . 2]" 1
575 1 33 ALA H 1 34 GLN H . . 3.200 2.747 2.626 2.889 . 0 0 "[ . 1 . 2]" 1
576 1 33 ALA HA 1 36 TYR H . . 4.200 3.572 3.018 3.871 . 0 0 "[ . 1 . 2]" 1
577 1 33 ALA HA 1 36 TYR HB2 . . 4.000 3.550 2.713 4.046 0.046 14 0 "[ . 1 . 2]" 1
578 1 33 ALA HA 1 36 TYR HB3 . . 3.300 2.722 2.449 3.153 . 0 0 "[ . 1 . 2]" 1
579 1 33 ALA HA 1 37 ALA H . . 5.000 3.892 3.627 4.096 . 0 0 "[ . 1 . 2]" 1
580 1 33 ALA HA 1 120 SER QB . . 6.000 3.332 2.936 4.714 . 0 0 "[ . 1 . 2]" 1
581 1 33 ALA MB 1 106 GLY H . . 6.000 4.737 4.398 5.014 . 0 0 "[ . 1 . 2]" 1
582 1 33 ALA MB 1 107 CYS HA . . 3.600 2.560 2.218 2.938 . 0 0 "[ . 1 . 2]" 1
583 1 33 ALA MB 1 107 CYS HB3 . . 6.000 4.265 3.944 4.676 . 0 0 "[ . 1 . 2]" 1
584 1 33 ALA MB 1 108 GLY H . . 5.500 2.690 2.308 3.486 . 0 0 "[ . 1 . 2]" 1
585 1 33 ALA MB 1 108 GLY HA3 . . 6.000 2.841 2.422 3.320 . 0 0 "[ . 1 . 2]" 1
586 1 33 ALA MB 1 120 SER QB . . 5.900 2.726 2.268 3.993 . 0 0 "[ . 1 . 2]" 1
587 1 33 ALA MB 1 121 CYS HA . . 5.000 2.815 2.215 3.223 . 0 0 "[ . 1 . 2]" 1
588 1 33 ALA MB 1 122 ASN H . . 5.700 2.697 2.060 3.315 . 0 0 "[ . 1 . 2]" 1
589 1 33 ALA MB 1 122 ASN HB2 . . 6.000 2.708 2.274 3.192 . 0 0 "[ . 1 . 2]" 1
590 1 33 ALA MB 1 122 ASN HB3 . . 6.000 3.682 2.703 4.539 . 0 0 "[ . 1 . 2]" 1
591 1 33 ALA MB 1 122 ASN QD . . 6.870 4.221 2.161 4.989 . 0 0 "[ . 1 . 2]" 1
592 1 34 GLN H 1 34 GLN HB2 . . 3.300 2.423 1.997 2.639 . 0 0 "[ . 1 . 2]" 1
593 1 34 GLN H 1 34 GLN HB3 . . 3.200 2.601 2.364 3.291 0.091 20 0 "[ . 1 . 2]" 1
594 1 34 GLN H 1 35 ASN H . . 3.300 2.729 2.611 2.842 . 0 0 "[ . 1 . 2]" 1
595 1 34 GLN HA 1 37 ALA MB . . 3.600 2.677 2.301 2.815 . 0 0 "[ . 1 . 2]" 1
596 1 34 GLN HA 1 108 GLY HA2 . . 3.600 3.318 2.288 3.667 0.067 1 0 "[ . 1 . 2]" 1
597 1 34 GLN HA 1 108 GLY HA3 . . 3.000 2.353 2.128 3.060 0.060 15 0 "[ . 1 . 2]" 1
598 1 34 GLN HA 1 109 ARG H . . 4.600 3.233 2.346 3.945 . 0 0 "[ . 1 . 2]" 1
599 1 34 GLN HB2 1 35 ASN H . . 4.300 3.733 2.529 4.005 . 0 0 "[ . 1 . 2]" 1
600 1 34 GLN HB3 1 34 GLN HG2 . . 2.800 2.514 2.187 2.900 0.100 10 0 "[ . 1 . 2]" 1
601 1 34 GLN HB3 1 34 GLN HG3 . . 2.800 2.525 2.416 2.893 0.093 1 0 "[ . 1 . 2]" 1
602 1 34 GLN HB3 1 34 GLN QG . . 2.560 2.228 2.101 2.447 . 0 0 "[ . 1 . 2]" 1
603 1 34 GLN HB3 1 35 ASN H . . 3.400 2.552 2.265 3.066 . 0 0 "[ . 1 . 2]" 1
604 1 34 GLN HE21 1 110 ALA MB . . 6.000 3.619 2.160 4.849 . 0 0 "[ . 1 . 2]" 1
605 1 34 GLN HE22 1 110 ALA MB . . 6.000 3.527 2.341 4.797 . 0 0 "[ . 1 . 2]" 1
606 1 34 GLN QE 1 37 ALA MB . . 6.870 3.617 2.405 4.926 . 0 0 "[ . 1 . 2]" 1
607 1 34 GLN QE 1 109 ARG H . . 4.470 2.892 2.088 4.073 . 0 0 "[ . 1 . 2]" 1
608 1 35 ASN H 1 35 ASN HB2 . . 3.000 2.220 2.146 2.330 . 0 0 "[ . 1 . 2]" 1
609 1 35 ASN H 1 35 ASN HB3 . . 3.500 3.499 3.445 3.542 0.042 5 0 "[ . 1 . 2]" 1
610 1 35 ASN HA 1 35 ASN HB3 . . 2.900 2.712 2.605 2.796 . 0 0 "[ . 1 . 2]" 1
611 1 35 ASN HA 1 38 ASN H . . 4.400 3.547 3.233 3.888 . 0 0 "[ . 1 . 2]" 1
612 1 35 ASN HA 1 38 ASN HB2 . . 3.000 2.355 2.172 2.682 . 0 0 "[ . 1 . 2]" 1
613 1 35 ASN HA 1 38 ASN HB3 . . 3.600 3.666 3.587 3.683 0.083 9 0 "[ . 1 . 2]" 1
614 1 35 ASN HA 1 38 ASN HD21 . . 4.500 3.393 2.237 4.569 0.069 4 0 "[ . 1 . 2]" 1
615 1 35 ASN HA 1 38 ASN HD22 . . 5.000 4.721 3.728 5.079 0.079 4 0 "[ . 1 . 2]" 1
616 1 35 ASN HB2 1 36 TYR H . . 3.500 2.699 2.300 3.150 . 0 0 "[ . 1 . 2]" 1
617 1 35 ASN HB3 1 36 TYR H . . 3.700 3.113 2.732 3.584 . 0 0 "[ . 1 . 2]" 1
618 1 36 TYR H 1 36 TYR HB2 . . 3.200 2.464 2.210 2.713 . 0 0 "[ . 1 . 2]" 1
619 1 36 TYR H 1 36 TYR HB3 . . 3.200 2.486 2.133 2.800 . 0 0 "[ . 1 . 2]" 1
620 1 36 TYR H 1 37 ALA H . . 3.300 2.814 2.638 2.986 . 0 0 "[ . 1 . 2]" 1
621 1 36 TYR HA 1 36 TYR HB2 . . 3.000 2.474 2.357 2.574 . 0 0 "[ . 1 . 2]" 1
622 1 36 TYR HA 1 39 SER H . . 3.600 3.631 3.441 3.675 0.075 18 0 "[ . 1 . 2]" 1
623 1 36 TYR HA 1 39 SER QB . . 5.100 3.537 2.779 4.494 . 0 0 "[ . 1 . 2]" 1
624 1 36 TYR HB2 1 37 ALA H . . 4.600 3.751 3.572 3.977 . 0 0 "[ . 1 . 2]" 1
625 1 36 TYR HB3 1 37 ALA H . . 3.500 2.396 2.199 2.634 . 0 0 "[ . 1 . 2]" 1
626 1 36 TYR QD 1 40 ARG QB . . 7.880 4.135 3.022 5.576 . 0 0 "[ . 1 . 2]" 1
627 1 36 TYR QD 1 55 LEU MD2 . . 6.500 3.737 2.804 4.206 . 0 0 "[ . 1 . 2]" 1
628 1 36 TYR QD 1 120 SER QB . . 8.000 3.064 2.144 4.158 . 0 0 "[ . 1 . 2]" 1
629 1 36 TYR QE 1 40 ARG QB . . 7.880 4.269 2.747 5.835 . 0 0 "[ . 1 . 2]" 1
630 1 36 TYR QE 1 47 ILE MG . . 8.000 4.945 3.360 6.038 . 0 0 "[ . 1 . 2]" 1
631 1 36 TYR QE 1 49 SER QB . . 7.880 4.769 2.199 6.428 . 0 0 "[ . 1 . 2]" 1
632 1 36 TYR QE 1 55 LEU MD1 . . 8.000 3.689 2.632 4.544 . 0 0 "[ . 1 . 2]" 1
633 1 36 TYR QE 1 55 LEU MD2 . . 7.700 3.073 2.306 4.637 . 0 0 "[ . 1 . 2]" 1
634 1 36 TYR QE 1 118 PHE HZ . . 6.700 3.771 2.217 6.016 . 0 0 "[ . 1 . 2]" 1
635 1 37 ALA H 1 38 ASN H . . 3.300 2.800 2.658 2.911 . 0 0 "[ . 1 . 2]" 1
636 1 37 ALA H 1 120 SER QB . . 6.000 3.877 3.031 4.881 . 0 0 "[ . 1 . 2]" 1
637 1 37 ALA HA 1 40 ARG H . . 4.800 3.752 3.430 4.216 . 0 0 "[ . 1 . 2]" 1
638 1 37 ALA HA 1 40 ARG QB . . 4.580 3.125 2.333 3.798 . 0 0 "[ . 1 . 2]" 1
639 1 37 ALA HA 1 40 ARG QG . . 5.880 4.453 3.614 5.338 . 0 0 "[ . 1 . 2]" 1
640 1 37 ALA HA 1 110 ALA MB . . 6.000 3.584 3.267 3.978 . 0 0 "[ . 1 . 2]" 1
641 1 37 ALA HA 1 118 PHE QD . . 5.200 2.903 2.190 3.576 . 0 0 "[ . 1 . 2]" 1
642 1 37 ALA HA 1 120 SER QB . . 6.000 4.248 3.387 4.919 . 0 0 "[ . 1 . 2]" 1
643 1 37 ALA MB 1 38 ASN H . . 4.100 2.386 2.124 2.594 . 0 0 "[ . 1 . 2]" 1
644 1 37 ALA MB 1 38 ASN HA . . 6.000 3.884 3.744 4.016 . 0 0 "[ . 1 . 2]" 1
645 1 37 ALA MB 1 39 SER H . . 6.000 4.684 4.397 5.013 . 0 0 "[ . 1 . 2]" 1
646 1 37 ALA MB 1 108 GLY HA3 . . 6.000 3.564 2.448 4.135 . 0 0 "[ . 1 . 2]" 1
647 1 37 ALA MB 1 109 ARG H . . 6.000 3.712 2.724 4.569 . 0 0 "[ . 1 . 2]" 1
648 1 37 ALA MB 1 109 ARG HA . . 6.000 3.809 3.124 4.976 . 0 0 "[ . 1 . 2]" 1
649 1 37 ALA MB 1 110 ALA H . . 5.100 2.988 2.496 3.428 . 0 0 "[ . 1 . 2]" 1
650 1 37 ALA MB 1 110 ALA HA . . 6.000 4.059 3.837 4.376 . 0 0 "[ . 1 . 2]" 1
651 1 37 ALA MB 1 110 ALA MB . . 4.400 1.996 1.922 2.132 . 0 0 "[ . 1 . 2]" 1
652 1 37 ALA MB 1 118 PHE QB . . 6.880 3.033 2.295 3.693 . 0 0 "[ . 1 . 2]" 1
653 1 37 ALA MB 1 118 PHE QD . . 6.600 2.422 2.036 3.483 . 0 0 "[ . 1 . 2]" 1
654 1 37 ALA MB 1 119 ILE HA . . 6.000 4.022 3.431 4.779 . 0 0 "[ . 1 . 2]" 1
655 1 37 ALA MB 1 120 SER H . . 6.000 3.514 2.768 4.309 . 0 0 "[ . 1 . 2]" 1
656 1 37 ALA MB 1 120 SER QB . . 6.100 2.897 2.083 3.947 . 0 0 "[ . 1 . 2]" 1
657 1 38 ASN H 1 38 ASN HB2 . . 3.000 2.191 2.063 2.341 . 0 0 "[ . 1 . 2]" 1
658 1 38 ASN H 1 38 ASN HB3 . . 3.700 3.491 3.379 3.574 . 0 0 "[ . 1 . 2]" 1
659 1 38 ASN H 1 39 SER H . . 3.300 2.907 2.757 3.089 . 0 0 "[ . 1 . 2]" 1
660 1 38 ASN H 1 110 ALA MB . . 5.300 3.006 2.651 3.292 . 0 0 "[ . 1 . 2]" 1
661 1 38 ASN HA 1 38 ASN HB2 . . 2.900 2.973 2.945 2.983 0.083 15 0 "[ . 1 . 2]" 1
662 1 38 ASN HA 1 38 ASN HB3 . . 2.800 2.728 2.614 2.837 0.037 13 0 "[ . 1 . 2]" 1
663 1 38 ASN HA 1 41 ALA MB . . 4.400 3.009 2.467 3.580 . 0 0 "[ . 1 . 2]" 1
664 1 38 ASN HA 1 110 ALA MB . . 3.400 2.471 2.036 2.774 . 0 0 "[ . 1 . 2]" 1
665 1 38 ASN HB2 1 39 SER H . . 3.300 2.690 2.270 2.955 . 0 0 "[ . 1 . 2]" 1
666 1 38 ASN HB2 1 110 ALA MB . . 6.000 4.074 3.525 4.595 . 0 0 "[ . 1 . 2]" 1
667 1 38 ASN HB3 1 39 SER H . . 3.800 2.992 2.576 3.297 . 0 0 "[ . 1 . 2]" 1
668 1 38 ASN HB3 1 110 ALA MB . . 6.000 4.473 3.973 4.847 . 0 0 "[ . 1 . 2]" 1
669 1 39 SER H 1 40 ARG H . . 3.200 2.735 2.594 2.889 . 0 0 "[ . 1 . 2]" 1
670 1 39 SER H 1 110 ALA MB . . 6.000 4.903 4.567 5.117 . 0 0 "[ . 1 . 2]" 1
671 1 40 ARG H 1 40 ARG HB2 . . 3.700 2.462 2.177 2.800 . 0 0 "[ . 1 . 2]" 1
672 1 40 ARG H 1 40 ARG HB3 . . 3.700 3.125 2.315 3.750 0.050 14 0 "[ . 1 . 2]" 1
673 1 40 ARG H 1 40 ARG QB . . 3.300 2.319 2.131 2.596 . 0 0 "[ . 1 . 2]" 1
674 1 40 ARG H 1 40 ARG HG2 . . 5.000 3.721 2.395 4.542 . 0 0 "[ . 1 . 2]" 1
675 1 40 ARG H 1 40 ARG HG3 . . 5.000 3.752 2.430 4.501 . 0 0 "[ . 1 . 2]" 1
676 1 40 ARG H 1 40 ARG QG . . 4.230 3.231 2.344 3.922 . 0 0 "[ . 1 . 2]" 1
677 1 40 ARG H 1 110 ALA MB . . 6.000 5.006 4.544 5.129 . 0 0 "[ . 1 . 2]" 1
678 1 40 ARG HA 1 40 ARG QG . . 3.870 2.505 2.148 3.097 . 0 0 "[ . 1 . 2]" 1
679 1 40 ARG HA 1 40 ARG HE . . 4.800 3.861 1.900 4.882 0.082 12 0 "[ . 1 . 2]" 1
680 1 40 ARG HA 1 41 ALA H . . 3.600 3.091 2.240 3.544 . 0 0 "[ . 1 . 2]" 1
681 1 40 ARG QB 1 118 PHE QD . . 7.880 4.456 2.779 6.041 . 0 0 "[ . 1 . 2]" 1
682 1 40 ARG QB 1 118 PHE QE . . 7.880 3.702 2.188 5.217 . 0 0 "[ . 1 . 2]" 1
683 1 40 ARG QD 1 47 ILE H . . 5.880 4.627 3.390 5.343 . 0 0 "[ . 1 . 2]" 1
684 1 40 ARG HE 1 45 ASN H . . 5.000 4.305 2.482 5.079 0.079 14 0 "[ . 1 . 2]" 1
685 1 40 ARG HE 1 45 ASN QB . . 6.000 4.275 1.902 5.414 . 0 0 "[ . 1 . 2]" 1
686 1 41 ALA H 1 41 ALA MB . . 3.400 2.318 2.124 2.870 . 0 0 "[ . 1 . 2]" 1
687 1 41 ALA H 1 42 GLY H . . 3.800 3.077 1.963 3.865 0.065 15 0 "[ . 1 . 2]" 1
688 1 41 ALA HA 1 43 ASP H . . 3.900 3.939 3.558 3.987 0.087 7 0 "[ . 1 . 2]" 1
689 1 41 ALA HA 1 112 CYS HB3 . . 5.000 3.487 2.604 5.063 0.063 11 0 "[ . 1 . 2]" 1
690 1 41 ALA HA 1 113 ASN H . . 4.700 4.013 2.725 4.771 0.071 16 0 "[ . 1 . 2]" 1
691 1 41 ALA MB 1 113 ASN H . . 5.800 3.573 1.848 4.603 . 0 0 "[ . 1 . 2]" 1
692 1 42 GLY H 1 43 ASP H . . 3.600 2.629 1.908 3.675 0.075 17 0 "[ . 1 . 2]" 1
693 1 42 GLY HA2 1 113 ASN HD21 . . 6.750 4.085 2.629 5.165 . 0 0 "[ . 1 . 2]" 1
694 1 42 GLY HA2 1 113 ASN HD22 . . 6.750 4.067 2.483 5.817 . 0 0 "[ . 1 . 2]" 1
695 1 42 GLY HA3 1 113 ASN HD21 . . 6.750 5.427 4.255 6.802 0.052 6 0 "[ . 1 . 2]" 1
696 1 42 GLY HA3 1 113 ASN HD22 . . 6.750 5.325 3.175 6.817 0.067 1 0 "[ . 1 . 2]" 1
697 1 42 GLY QA 1 113 ASN QD . . 5.810 3.400 2.253 4.426 . 0 0 "[ . 1 . 2]" 1
698 1 43 ASP H 1 44 CYS H . . 3.000 2.275 1.895 2.975 . 0 0 "[ . 1 . 2]" 1
699 1 43 ASP H 1 45 ASN H . . 4.800 4.609 3.616 4.893 0.093 11 0 "[ . 1 . 2]" 1
700 1 44 CYS H 1 45 ASN H . . 3.700 2.708 2.033 3.749 0.049 10 0 "[ . 1 . 2]" 1
701 1 44 CYS HA 1 118 PHE QD . . 5.700 4.247 2.127 5.493 . 0 0 "[ . 1 . 2]" 1
702 1 44 CYS HB2 1 112 CYS HB3 . . 4.400 2.665 2.064 4.219 . 0 0 "[ . 1 . 2]" 1
703 1 44 CYS HB3 1 112 CYS HB2 . . 5.000 3.937 2.481 4.817 . 0 0 "[ . 1 . 2]" 1
704 1 44 CYS HB3 1 112 CYS HB3 . . 3.700 3.235 2.228 3.781 0.081 9 0 "[ . 1 . 2]" 1
705 1 45 ASN H 1 45 ASN QB . . 3.800 2.513 2.135 3.512 . 0 0 "[ . 1 . 2]" 1
706 1 45 ASN H 1 118 PHE QD . . 7.000 5.668 4.637 6.499 . 0 0 "[ . 1 . 2]" 1
707 1 45 ASN QB 1 47 ILE HB . . 6.000 3.973 2.814 5.170 . 0 0 "[ . 1 . 2]" 1
708 1 45 ASN QB 1 47 ILE MG . . 7.000 4.640 3.804 5.261 . 0 0 "[ . 1 . 2]" 1
709 1 45 ASN QB 1 47 ILE HG12 . . 5.000 3.443 2.136 4.468 . 0 0 "[ . 1 . 2]" 1
710 1 45 ASN QB 1 47 ILE HG13 . . 5.000 2.803 2.116 4.338 . 0 0 "[ . 1 . 2]" 1
711 1 45 ASN QB 1 47 ILE MD . . 5.900 2.801 1.905 4.310 . 0 0 "[ . 1 . 2]" 1
712 1 46 LEU H 1 46 LEU HB2 . . 3.900 2.626 2.127 3.296 . 0 0 "[ . 1 . 2]" 1
713 1 46 LEU H 1 46 LEU HB3 . . 3.900 3.708 3.463 3.956 0.056 20 0 "[ . 1 . 2]" 1
714 1 46 LEU H 1 46 LEU QB . . 3.460 2.567 2.109 3.141 . 0 0 "[ . 1 . 2]" 1
715 1 46 LEU H 1 46 LEU HG . . 3.600 2.884 2.307 3.685 0.085 9 0 "[ . 1 . 2]" 1
716 1 46 LEU HA 1 46 LEU HG . . 3.900 3.018 2.140 3.645 . 0 0 "[ . 1 . 2]" 1
717 1 46 LEU HA 1 46 LEU MD2 . . 3.600 2.193 2.066 2.935 . 0 0 "[ . 1 . 2]" 1
718 1 46 LEU HA 1 47 ILE H . . 2.900 2.535 2.214 2.840 . 0 0 "[ . 1 . 2]" 1
719 1 46 LEU HA 1 55 LEU MD1 . . 6.000 2.392 1.923 2.987 . 0 0 "[ . 1 . 2]" 1
720 1 46 LEU HA 1 118 PHE QD . . 6.200 4.892 3.451 5.671 . 0 0 "[ . 1 . 2]" 1
721 1 46 LEU HA 1 118 PHE HZ . . 4.300 3.434 2.286 4.361 0.061 11 0 "[ . 1 . 2]" 1
722 1 46 LEU QB 1 118 PHE QE . . 7.880 4.371 2.910 5.491 . 0 0 "[ . 1 . 2]" 1
723 1 46 LEU MD1 1 55 LEU HB2 . . 6.000 3.962 2.132 4.937 . 0 0 "[ . 1 . 2]" 1
724 1 46 LEU MD1 1 55 LEU HB3 . . 6.000 4.485 2.339 5.045 . 0 0 "[ . 1 . 2]" 1
725 1 46 LEU MD1 1 55 LEU QB . . 5.840 3.696 1.977 4.445 . 0 0 "[ . 1 . 2]" 1
726 1 46 LEU MD1 1 56 ALA HA . . 6.000 3.972 2.695 4.874 . 0 0 "[ . 1 . 2]" 1
727 1 46 LEU MD1 1 57 LYS H . . 6.000 3.727 2.289 4.880 . 0 0 "[ . 1 . 2]" 1
728 1 46 LEU MD1 1 57 LYS HE2 . . 6.000 3.690 2.073 4.858 . 0 0 "[ . 1 . 2]" 1
729 1 46 LEU MD1 1 57 LYS HE3 . . 6.000 3.773 2.137 4.878 . 0 0 "[ . 1 . 2]" 1
730 1 46 LEU MD1 1 118 PHE QE . . 8.000 4.480 2.491 6.137 . 0 0 "[ . 1 . 2]" 1
731 1 46 LEU MD2 1 47 ILE H . . 5.800 4.294 3.719 4.726 . 0 0 "[ . 1 . 2]" 1
732 1 46 LEU MD2 1 55 LEU HA . . 6.000 4.334 3.701 4.908 . 0 0 "[ . 1 . 2]" 1
733 1 46 LEU MD2 1 55 LEU HB2 . . 4.800 2.515 2.098 3.831 . 0 0 "[ . 1 . 2]" 1
734 1 46 LEU MD2 1 55 LEU HB3 . . 4.800 2.527 2.191 3.154 . 0 0 "[ . 1 . 2]" 1
735 1 46 LEU MD2 1 55 LEU QB . . 4.620 2.205 1.942 2.906 . 0 0 "[ . 1 . 2]" 1
736 1 46 LEU MD2 1 56 ALA HA . . 5.200 3.342 2.352 4.153 . 0 0 "[ . 1 . 2]" 1
737 1 46 LEU MD2 1 57 LYS H . . 6.000 3.388 2.156 4.419 . 0 0 "[ . 1 . 2]" 1
738 1 46 LEU MD2 1 57 LYS HA . . 6.000 4.036 2.193 4.961 . 0 0 "[ . 1 . 2]" 1
739 1 46 LEU MD2 1 57 LYS HB2 . . 6.000 4.160 3.205 4.941 . 0 0 "[ . 1 . 2]" 1
740 1 46 LEU MD2 1 57 LYS HB3 . . 5.600 2.854 2.179 4.526 . 0 0 "[ . 1 . 2]" 1
741 1 46 LEU MD2 1 57 LYS QD . . 6.880 3.581 2.074 5.031 . 0 0 "[ . 1 . 2]" 1
742 1 46 LEU MD2 1 57 LYS QE . . 6.880 4.071 2.259 5.030 . 0 0 "[ . 1 . 2]" 1
743 1 46 LEU MD2 1 118 PHE QD . . 7.100 3.314 2.285 4.859 . 0 0 "[ . 1 . 2]" 1
744 1 46 LEU MD2 1 118 PHE HZ . . 5.700 3.727 2.612 4.641 . 0 0 "[ . 1 . 2]" 1
745 1 47 ILE H 1 47 ILE HB . . 3.400 2.558 2.257 2.887 . 0 0 "[ . 1 . 2]" 1
746 1 47 ILE H 1 47 ILE HG12 . . 5.000 3.610 2.532 4.638 . 0 0 "[ . 1 . 2]" 1
747 1 47 ILE H 1 47 ILE HG13 . . 5.000 3.046 2.078 4.185 . 0 0 "[ . 1 . 2]" 1
748 1 47 ILE HA 1 47 ILE HG12 . . 4.200 2.820 2.381 3.648 . 0 0 "[ . 1 . 2]" 1
749 1 47 ILE HA 1 47 ILE HG13 . . 4.200 3.125 2.429 3.871 . 0 0 "[ . 1 . 2]" 1
750 1 47 ILE HA 1 47 ILE QG . . 3.770 2.532 2.238 3.136 . 0 0 "[ . 1 . 2]" 1
751 1 47 ILE HA 1 55 LEU MD1 . . 6.000 3.961 3.221 4.935 . 0 0 "[ . 1 . 2]" 1
752 1 47 ILE HB 1 47 ILE QG . . 2.690 2.341 2.154 2.503 . 0 0 "[ . 1 . 2]" 1
753 1 48 HIS HA 1 48 HIS HB2 . . 3.000 2.647 2.370 3.038 0.038 18 0 "[ . 1 . 2]" 1
754 1 48 HIS HA 1 48 HIS HB3 . . 3.000 2.718 2.308 3.045 0.045 13 0 "[ . 1 . 2]" 1
755 1 48 HIS HA 1 55 LEU MD1 . . 4.600 3.134 2.233 3.718 . 0 0 "[ . 1 . 2]" 1
756 1 48 HIS HA 1 55 LEU MD2 . . 6.000 4.070 2.754 4.855 . 0 0 "[ . 1 . 2]" 1
757 1 48 HIS QB 1 50 GLY H . . 4.780 3.654 2.412 4.409 . 0 0 "[ . 1 . 2]" 1
758 1 48 HIS HD2 1 55 LEU MD1 . . 6.000 4.002 2.038 4.965 . 0 0 "[ . 1 . 2]" 1
759 1 49 SER HA 1 49 SER HB2 . . 2.800 2.567 2.290 2.663 . 0 0 "[ . 1 . 2]" 1
760 1 49 SER HA 1 49 SER HB3 . . 2.800 2.355 2.252 2.492 . 0 0 "[ . 1 . 2]" 1
761 1 49 SER HA 1 49 SER QB . . 2.560 2.171 2.102 2.242 . 0 0 "[ . 1 . 2]" 1
762 1 51 ALA HA 1 52 GLY H . . 3.000 2.638 2.150 3.091 0.091 8 0 "[ . 1 . 2]" 1
763 1 51 ALA HA 1 53 GLU H . . 4.600 4.044 3.474 4.649 0.049 2 0 "[ . 1 . 2]" 1
764 1 51 ALA MB 1 53 GLU H . . 6.000 4.600 3.435 5.124 . 0 0 "[ . 1 . 2]" 1
765 1 51 ALA MB 1 126 VAL MG2 . . 5.100 3.092 2.471 3.395 . 0 0 "[ . 1 . 2]" 1
766 1 52 GLY H 1 53 GLU H . . 3.100 2.667 1.822 3.190 0.090 8 0 "[ . 1 . 2]" 1
767 1 52 GLY H 1 127 GLY H . . 5.000 3.325 2.155 4.632 . 0 0 "[ . 1 . 2]" 1
768 1 52 GLY HA2 1 126 VAL HA . . 3.700 2.984 2.305 3.780 0.080 14 0 "[ . 1 . 2]" 1
769 1 52 GLY HA2 1 126 VAL HB . . 4.900 3.624 2.574 4.197 . 0 0 "[ . 1 . 2]" 1
770 1 52 GLY HA2 1 126 VAL MG1 . . 6.000 4.149 2.959 5.043 . 0 0 "[ . 1 . 2]" 1
771 1 52 GLY HA2 1 126 VAL MG2 . . 6.000 4.798 4.165 5.076 . 0 0 "[ . 1 . 2]" 1
772 1 52 GLY HA3 1 126 VAL HA . . 3.700 2.755 2.244 3.776 0.076 20 0 "[ . 1 . 2]" 1
773 1 52 GLY HA3 1 126 VAL HB . . 4.900 3.420 2.328 4.005 . 0 0 "[ . 1 . 2]" 1
774 1 52 GLY HA3 1 126 VAL MG1 . . 6.000 3.248 2.217 4.106 . 0 0 "[ . 1 . 2]" 1
775 1 52 GLY HA3 1 126 VAL MG2 . . 6.000 4.783 3.993 5.130 . 0 0 "[ . 1 . 2]" 1
776 1 52 GLY QA 1 126 VAL HB . . 4.340 3.087 2.201 3.625 . 0 0 "[ . 1 . 2]" 1
777 1 52 GLY QA 1 126 VAL MG1 . . 5.450 3.119 2.181 3.927 . 0 0 "[ . 1 . 2]" 1
778 1 52 GLY QA 1 127 GLY H . . 5.080 1.973 1.844 2.146 . 0 0 "[ . 1 . 2]" 1
779 1 53 GLU H 1 53 GLU HB2 . . 3.500 2.685 2.105 3.277 . 0 0 "[ . 1 . 2]" 1
780 1 53 GLU H 1 53 GLU HB3 . . 3.500 3.421 2.792 3.595 0.095 8 0 "[ . 1 . 2]" 1
781 1 53 GLU H 1 53 GLU QB . . 3.290 2.559 2.085 2.959 . 0 0 "[ . 1 . 2]" 1
782 1 53 GLU HA 1 53 GLU HG2 . . 4.000 2.963 2.203 3.723 . 0 0 "[ . 1 . 2]" 1
783 1 53 GLU HA 1 53 GLU HG3 . . 4.000 2.641 2.156 3.618 . 0 0 "[ . 1 . 2]" 1
784 1 53 GLU HA 1 53 GLU QG . . 3.560 2.327 2.060 2.786 . 0 0 "[ . 1 . 2]" 1
785 1 53 GLU HA 1 54 ASN H . . 3.000 2.272 2.088 2.439 . 0 0 "[ . 1 . 2]" 1
786 1 53 GLU HA 1 122 ASN HA . . 2.900 2.541 2.211 2.978 0.078 15 0 "[ . 1 . 2]" 1
787 1 53 GLU HA 1 123 TYR H . . 4.800 3.728 3.332 4.509 . 0 0 "[ . 1 . 2]" 1
788 1 53 GLU HA 1 123 TYR QD . . 6.200 2.507 2.122 3.541 . 0 0 "[ . 1 . 2]" 1
789 1 53 GLU HB2 1 122 ASN HD21 . . 6.730 4.845 2.807 5.908 . 0 0 "[ . 1 . 2]" 1
790 1 53 GLU HB2 1 122 ASN HD22 . . 6.730 4.675 3.198 5.574 . 0 0 "[ . 1 . 2]" 1
791 1 53 GLU HB3 1 122 ASN HD21 . . 6.730 5.285 4.153 6.493 . 0 0 "[ . 1 . 2]" 1
792 1 53 GLU HB3 1 122 ASN HD22 . . 6.730 5.308 4.672 6.362 . 0 0 "[ . 1 . 2]" 1
793 1 53 GLU QB 1 55 LEU MD2 . . 6.880 3.109 2.313 3.832 . 0 0 "[ . 1 . 2]" 1
794 1 53 GLU QB 1 122 ASN QD . . 5.340 3.834 2.634 4.346 . 0 0 "[ . 1 . 2]" 1
795 1 53 GLU QB 1 123 TYR QD . . 7.880 4.531 4.066 5.465 . 0 0 "[ . 1 . 2]" 1
796 1 53 GLU HG2 1 55 LEU MD2 . . 5.900 3.528 2.321 4.854 . 0 0 "[ . 1 . 2]" 1
797 1 53 GLU HG2 1 122 ASN HD21 . . 6.750 3.754 2.275 6.240 . 0 0 "[ . 1 . 2]" 1
798 1 53 GLU HG2 1 122 ASN HD22 . . 6.750 3.870 2.836 6.478 . 0 0 "[ . 1 . 2]" 1
799 1 53 GLU HG3 1 55 LEU MD2 . . 5.900 4.286 3.225 4.884 . 0 0 "[ . 1 . 2]" 1
800 1 53 GLU HG3 1 122 ASN HD21 . . 6.750 2.964 2.102 4.629 . 0 0 "[ . 1 . 2]" 1
801 1 53 GLU HG3 1 122 ASN HD22 . . 6.750 3.259 2.344 4.816 . 0 0 "[ . 1 . 2]" 1
802 1 53 GLU QG 1 54 ASN H . . 5.880 3.221 1.990 4.332 . 0 0 "[ . 1 . 2]" 1
803 1 53 GLU QG 1 55 LEU MD2 . . 5.350 3.280 2.298 3.875 . 0 0 "[ . 1 . 2]" 1
804 1 53 GLU QG 1 121 CYS H . . 5.880 3.783 2.090 5.307 . 0 0 "[ . 1 . 2]" 1
805 1 53 GLU QG 1 122 ASN H . . 5.380 4.316 3.630 4.892 . 0 0 "[ . 1 . 2]" 1
806 1 53 GLU QG 1 122 ASN QD . . 5.810 2.466 2.066 4.094 . 0 0 "[ . 1 . 2]" 1
807 1 53 GLU QG 1 123 TYR H . . 5.180 3.899 3.383 4.391 . 0 0 "[ . 1 . 2]" 1
808 1 54 ASN H 1 54 ASN QB . . 3.910 2.933 2.280 3.423 . 0 0 "[ . 1 . 2]" 1
809 1 54 ASN H 1 121 CYS H . . 3.700 2.972 2.574 3.608 . 0 0 "[ . 1 . 2]" 1
810 1 54 ASN HA 1 55 LEU H . . 2.800 2.329 2.044 2.564 . 0 0 "[ . 1 . 2]" 1
811 1 54 ASN HA 1 55 LEU MD2 . . 6.000 4.223 3.802 4.792 . 0 0 "[ . 1 . 2]" 1
812 1 54 ASN HA 1 93 HIS HD2 . . 3.600 3.642 3.316 3.688 0.088 12 0 "[ . 1 . 2]" 1
813 1 54 ASN QB 1 71 TRP HE1 . . 5.880 4.753 3.603 5.193 . 0 0 "[ . 1 . 2]" 1
814 1 54 ASN QB 1 71 TRP HZ2 . . 5.880 4.322 3.537 5.241 . 0 0 "[ . 1 . 2]" 1
815 1 54 ASN HD21 1 97 VAL MG2 . . 5.400 3.007 2.426 4.459 . 0 0 "[ . 1 . 2]" 1
816 1 54 ASN HD22 1 97 VAL MG2 . . 5.400 2.808 2.155 3.997 . 0 0 "[ . 1 . 2]" 1
817 1 54 ASN QD 1 71 TRP HE3 . . 5.870 2.944 2.376 5.133 . 0 0 "[ . 1 . 2]" 1
818 1 54 ASN QD 1 96 GLN H . . 5.870 4.139 3.219 5.220 . 0 0 "[ . 1 . 2]" 1
819 1 54 ASN QD 1 96 GLN QB . . 5.540 2.308 1.898 2.981 . 0 0 "[ . 1 . 2]" 1
820 1 54 ASN QD 1 97 VAL H . . 5.870 3.505 2.651 4.476 . 0 0 "[ . 1 . 2]" 1
821 1 54 ASN QD 1 97 VAL MG2 . . 5.080 2.553 2.034 3.727 . 0 0 "[ . 1 . 2]" 1
822 1 55 LEU H 1 55 LEU QB . . 3.760 2.652 2.491 2.866 . 0 0 "[ . 1 . 2]" 1
823 1 55 LEU H 1 55 LEU HG . . 4.200 2.783 2.194 3.384 . 0 0 "[ . 1 . 2]" 1
824 1 55 LEU H 1 93 HIS HD2 . . 5.000 4.248 3.563 4.849 . 0 0 "[ . 1 . 2]" 1
825 1 55 LEU HA 1 55 LEU MD2 . . 3.400 2.381 2.135 2.655 . 0 0 "[ . 1 . 2]" 1
826 1 55 LEU HA 1 56 ALA H . . 3.000 2.366 2.238 2.466 . 0 0 "[ . 1 . 2]" 1
827 1 55 LEU HA 1 71 TRP HZ2 . . 4.000 3.796 3.207 4.076 0.076 16 0 "[ . 1 . 2]" 1
828 1 55 LEU HA 1 120 SER HA . . 2.900 2.426 2.188 2.823 . 0 0 "[ . 1 . 2]" 1
829 1 55 LEU HA 1 121 CYS H . . 4.500 3.551 3.050 4.138 . 0 0 "[ . 1 . 2]" 1
830 1 55 LEU HB2 1 56 ALA H . . 3.700 3.584 3.385 3.735 0.035 2 0 "[ . 1 . 2]" 1
831 1 55 LEU HB3 1 56 ALA H . . 3.700 2.615 2.330 2.922 . 0 0 "[ . 1 . 2]" 1
832 1 55 LEU QB 1 118 PHE QE . . 7.480 3.349 2.240 4.172 . 0 0 "[ . 1 . 2]" 1
833 1 55 LEU QB 1 119 ILE MG . . 7.000 5.001 4.941 5.059 . 0 0 "[ . 1 . 2]" 1
834 1 55 LEU MD1 1 118 PHE HZ . . 6.000 2.600 2.183 3.629 . 0 0 "[ . 1 . 2]" 1
835 1 55 LEU MD2 1 118 PHE QE . . 6.600 2.846 2.213 4.154 . 0 0 "[ . 1 . 2]" 1
836 1 55 LEU MD2 1 118 PHE HZ . . 5.000 3.035 2.125 3.936 . 0 0 "[ . 1 . 2]" 1
837 1 55 LEU MD2 1 120 SER HA . . 3.400 2.214 1.990 2.681 . 0 0 "[ . 1 . 2]" 1
838 1 55 LEU MD2 1 120 SER QB . . 5.100 2.434 2.048 3.197 . 0 0 "[ . 1 . 2]" 1
839 1 56 ALA H 1 71 TRP HZ2 . . 4.100 3.790 3.143 4.147 0.047 20 0 "[ . 1 . 2]" 1
840 1 56 ALA H 1 119 ILE H . . 5.000 2.999 2.772 3.237 . 0 0 "[ . 1 . 2]" 1
841 1 56 ALA H 1 120 SER HA . . 5.000 3.809 3.543 4.176 . 0 0 "[ . 1 . 2]" 1
842 1 56 ALA HA 1 57 LYS H . . 2.900 2.295 2.149 2.487 . 0 0 "[ . 1 . 2]" 1
843 1 56 ALA MB 1 62 PHE QD . . 8.000 3.868 2.908 4.257 . 0 0 "[ . 1 . 2]" 1
844 1 56 ALA MB 1 62 PHE QE . . 7.400 2.227 2.009 2.612 . 0 0 "[ . 1 . 2]" 1
845 1 56 ALA MB 1 62 PHE HZ . . 5.100 2.788 2.072 4.183 . 0 0 "[ . 1 . 2]" 1
846 1 56 ALA MB 1 64 GLY QA . . 6.880 4.802 4.447 4.905 . 0 0 "[ . 1 . 2]" 1
847 1 56 ALA MB 1 67 ALA HA . . 4.200 3.016 2.219 3.569 . 0 0 "[ . 1 . 2]" 1
848 1 56 ALA MB 1 67 ALA MB . . 4.400 2.119 1.949 2.430 . 0 0 "[ . 1 . 2]" 1
849 1 56 ALA MB 1 70 LEU QD . . 6.570 2.765 2.126 3.404 . 0 0 "[ . 1 . 2]" 1
850 1 56 ALA MB 1 71 TRP HE1 . . 3.900 1.915 1.809 2.236 . 0 0 "[ . 1 . 2]" 1
851 1 56 ALA MB 1 71 TRP HZ2 . . 4.300 2.438 2.136 3.024 . 0 0 "[ . 1 . 2]" 1
852 1 56 ALA MB 1 119 ILE H . . 6.000 3.425 3.050 3.820 . 0 0 "[ . 1 . 2]" 1
853 1 56 ALA MB 1 119 ILE MG . . 5.200 2.883 2.398 3.372 . 0 0 "[ . 1 . 2]" 1
854 1 56 ALA MB 1 119 ILE MD . . 6.300 3.203 2.816 3.722 . 0 0 "[ . 1 . 2]" 1
855 1 57 LYS H 1 57 LYS HG2 . . 4.500 2.773 2.038 4.014 . 0 0 "[ . 1 . 2]" 1
856 1 57 LYS H 1 57 LYS HG3 . . 4.500 3.109 2.242 4.208 . 0 0 "[ . 1 . 2]" 1
857 1 57 LYS H 1 57 LYS QG . . 3.930 2.434 1.992 3.656 . 0 0 "[ . 1 . 2]" 1
858 1 57 LYS HA 1 57 LYS HB2 . . 3.000 2.445 2.194 2.957 . 0 0 "[ . 1 . 2]" 1
859 1 57 LYS HA 1 57 LYS HB3 . . 3.000 2.460 2.228 2.804 . 0 0 "[ . 1 . 2]" 1
860 1 57 LYS HA 1 58 GLY H . . 2.900 2.388 2.202 2.873 . 0 0 "[ . 1 . 2]" 1
861 1 57 LYS HA 1 62 PHE QD . . 7.000 4.389 2.959 6.084 . 0 0 "[ . 1 . 2]" 1
862 1 57 LYS HA 1 62 PHE QE . . 7.000 4.391 3.017 5.937 . 0 0 "[ . 1 . 2]" 1
863 1 57 LYS HA 1 118 PHE HA . . 3.100 2.647 2.176 3.169 0.069 9 0 "[ . 1 . 2]" 1
864 1 57 LYS HA 1 119 ILE H . . 4.600 3.490 2.903 3.744 . 0 0 "[ . 1 . 2]" 1
865 1 57 LYS HA 1 119 ILE MD . . 6.000 4.555 3.462 4.931 . 0 0 "[ . 1 . 2]" 1
866 1 57 LYS HB2 1 58 GLY H . . 3.900 2.754 1.916 3.412 . 0 0 "[ . 1 . 2]" 1
867 1 57 LYS HB2 1 116 TRP HE3 . . 5.000 3.141 2.107 4.389 . 0 0 "[ . 1 . 2]" 1
868 1 57 LYS HB2 1 118 PHE HA . . 5.000 4.260 2.845 5.057 0.057 9 0 "[ . 1 . 2]" 1
869 1 57 LYS HB3 1 58 GLY H . . 4.900 3.903 2.732 4.313 . 0 0 "[ . 1 . 2]" 1
870 1 57 LYS HB3 1 118 PHE HA . . 5.000 3.932 2.603 5.040 0.040 19 0 "[ . 1 . 2]" 1
871 1 57 LYS HD2 1 116 TRP HE3 . . 5.000 3.749 2.151 5.062 0.062 18 0 "[ . 1 . 2]" 1
872 1 57 LYS HD3 1 116 TRP HE3 . . 5.000 4.056 2.330 5.076 0.076 8 0 "[ . 1 . 2]" 1
873 1 57 LYS QD 1 116 TRP HE3 . . 4.820 3.252 2.139 4.426 . 0 0 "[ . 1 . 2]" 1
874 1 57 LYS QD 1 116 TRP HZ3 . . 5.880 3.425 2.301 4.654 . 0 0 "[ . 1 . 2]" 1
875 1 57 LYS HE2 1 116 TRP HZ3 . . 5.000 3.653 2.300 5.063 0.063 8 0 "[ . 1 . 2]" 1
876 1 57 LYS HE3 1 116 TRP HZ3 . . 5.000 3.693 2.215 5.067 0.067 4 0 "[ . 1 . 2]" 1
877 1 58 GLY H 1 116 TRP HB3 . . 5.000 3.268 1.982 4.968 . 0 0 "[ . 1 . 2]" 1
878 1 58 GLY H 1 117 TRP H . . 3.700 2.872 2.110 3.523 . 0 0 "[ . 1 . 2]" 1
879 1 58 GLY H 1 117 TRP HB3 . . 5.000 4.766 4.170 5.072 0.072 11 0 "[ . 1 . 2]" 1
880 1 58 GLY H 1 118 PHE HA . . 5.000 4.147 3.286 5.064 0.064 20 0 "[ . 1 . 2]" 1
881 1 58 GLY HA2 1 59 GLY H . . 3.200 2.869 2.264 3.301 0.101 12 0 "[ . 1 . 2]" 1
882 1 58 GLY HA3 1 59 GLY H . . 3.200 2.491 2.076 3.178 . 0 0 "[ . 1 . 2]" 1
883 1 58 GLY QA 1 59 GLY H . . 2.880 2.227 2.055 2.587 . 0 0 "[ . 1 . 2]" 1
884 1 58 GLY QA 1 62 PHE QD . . 7.880 2.949 2.336 5.423 . 0 0 "[ . 1 . 2]" 1
885 1 58 GLY QA 1 116 TRP HE3 . . 5.880 4.872 3.640 5.374 . 0 0 "[ . 1 . 2]" 1
886 1 59 GLY HA2 1 60 GLY H . . 3.600 3.099 2.119 3.626 0.026 15 0 "[ . 1 . 2]" 1
887 1 59 GLY HA2 1 116 TRP HA . . 4.700 3.485 2.170 4.558 . 0 0 "[ . 1 . 2]" 1
888 1 59 GLY HA3 1 60 GLY H . . 3.600 2.642 2.140 3.346 . 0 0 "[ . 1 . 2]" 1
889 1 59 GLY HA3 1 116 TRP HA . . 4.700 4.489 3.747 4.782 0.082 9 0 "[ . 1 . 2]" 1
890 1 59 GLY QA 1 116 TRP HA . . 4.280 3.319 2.159 3.964 . 0 0 "[ . 1 . 2]" 1
891 1 61 ASP H 1 61 ASP HB2 . . 3.800 3.682 3.525 3.863 0.063 19 0 "[ . 1 . 2]" 1
892 1 61 ASP H 1 61 ASP HB3 . . 3.800 2.746 2.367 3.640 . 0 0 "[ . 1 . 2]" 1
893 1 61 ASP H 1 61 ASP QB . . 3.600 2.664 2.333 3.324 . 0 0 "[ . 1 . 2]" 1
894 1 61 ASP HA 1 61 ASP HB2 . . 2.700 2.414 2.277 2.596 . 0 0 "[ . 1 . 2]" 1
895 1 61 ASP HA 1 61 ASP HB3 . . 2.700 2.481 2.277 2.685 . 0 0 "[ . 1 . 2]" 1
896 1 61 ASP HA 1 62 PHE H . . 2.800 2.681 2.219 2.909 0.109 10 0 "[ . 1 . 2]" 1
897 1 61 ASP HA 1 117 TRP HD1 . . 5.000 3.961 2.428 5.045 0.045 18 0 "[ . 1 . 2]" 1
898 1 62 PHE H 1 62 PHE HB2 . . 3.100 2.456 2.177 2.710 . 0 0 "[ . 1 . 2]" 1
899 1 62 PHE H 1 62 PHE HB3 . . 3.000 2.549 2.164 2.771 . 0 0 "[ . 1 . 2]" 1
900 1 62 PHE H 1 117 TRP HD1 . . 3.600 3.047 2.006 3.672 0.072 14 0 "[ . 1 . 2]" 1
901 1 62 PHE HA 1 62 PHE HB2 . . 3.000 2.483 2.372 2.572 . 0 0 "[ . 1 . 2]" 1
902 1 62 PHE HA 1 62 PHE QE . . 5.600 4.515 4.307 4.755 . 0 0 "[ . 1 . 2]" 1
903 1 62 PHE HA 1 63 THR H . . 2.600 2.290 2.110 2.680 0.080 20 0 "[ . 1 . 2]" 1
904 1 62 PHE HA 1 63 THR MG . . 6.000 3.568 2.711 4.544 . 0 0 "[ . 1 . 2]" 1
905 1 62 PHE HA 1 66 ALA MB . . 6.000 3.700 2.445 4.799 . 0 0 "[ . 1 . 2]" 1
906 1 62 PHE HB2 1 117 TRP HD1 . . 5.000 4.280 2.816 5.075 0.075 14 0 "[ . 1 . 2]" 1
907 1 62 PHE HB3 1 117 TRP HB2 . . 5.000 2.622 2.122 3.579 . 0 0 "[ . 1 . 2]" 1
908 1 62 PHE HB3 1 117 TRP HB3 . . 5.000 3.443 2.315 4.992 . 0 0 "[ . 1 . 2]" 1
909 1 62 PHE HB3 1 117 TRP HD1 . . 4.800 3.820 2.492 4.874 0.074 17 0 "[ . 1 . 2]" 1
910 1 62 PHE QD 1 66 ALA MB . . 8.000 3.140 2.519 4.739 . 0 0 "[ . 1 . 2]" 1
911 1 62 PHE QD 1 67 ALA MB . . 8.000 3.768 3.262 4.285 . 0 0 "[ . 1 . 2]" 1
912 1 62 PHE QD 1 70 LEU QD . . 9.400 5.178 3.776 6.092 . 0 0 "[ . 1 . 2]" 1
913 1 62 PHE QD 1 117 TRP HB2 . . 7.000 3.468 2.285 4.519 . 0 0 "[ . 1 . 2]" 1
914 1 62 PHE QD 1 119 ILE MD . . 6.900 2.369 2.083 3.316 . 0 0 "[ . 1 . 2]" 1
915 1 62 PHE QE 1 66 ALA MB . . 7.700 2.774 2.193 4.335 . 0 0 "[ . 1 . 2]" 1
916 1 62 PHE QE 1 67 ALA HA . . 6.900 2.949 2.297 3.596 . 0 0 "[ . 1 . 2]" 1
917 1 62 PHE QE 1 67 ALA MB . . 8.000 2.617 2.102 2.976 . 0 0 "[ . 1 . 2]" 1
918 1 62 PHE QE 1 70 LEU QD . . 9.400 3.622 2.633 4.501 . 0 0 "[ . 1 . 2]" 1
919 1 62 PHE QE 1 119 ILE MD . . 7.400 2.906 2.325 3.595 . 0 0 "[ . 1 . 2]" 1
920 1 62 PHE HZ 1 66 ALA MB . . 6.000 3.877 2.683 4.879 . 0 0 "[ . 1 . 2]" 1
921 1 62 PHE HZ 1 67 ALA HA . . 2.800 2.516 2.146 2.860 0.060 18 0 "[ . 1 . 2]" 1
922 1 62 PHE HZ 1 67 ALA MB . . 5.000 3.230 2.242 3.801 . 0 0 "[ . 1 . 2]" 1
923 1 62 PHE HZ 1 70 LEU QD . . 6.270 3.164 2.112 4.058 . 0 0 "[ . 1 . 2]" 1
924 1 62 PHE HZ 1 119 ILE MD . . 6.000 4.615 3.983 5.005 . 0 0 "[ . 1 . 2]" 1
925 1 63 THR H 1 63 THR HB . . 3.900 3.590 3.406 3.834 . 0 0 "[ . 1 . 2]" 1
926 1 63 THR H 1 63 THR MG . . 3.400 2.422 1.968 2.746 . 0 0 "[ . 1 . 2]" 1
927 1 63 THR HA 1 63 THR HB . . 2.600 2.457 2.256 2.648 0.048 15 0 "[ . 1 . 2]" 1
928 1 63 THR HA 1 63 THR MG . . 3.400 2.356 2.119 2.638 . 0 0 "[ . 1 . 2]" 1
929 1 63 THR HA 1 64 GLY H . . 3.100 2.469 2.097 3.194 0.094 20 0 "[ . 1 . 2]" 1
930 1 63 THR HA 1 109 ARG HE . . 4.500 4.126 2.986 4.581 0.081 4 0 "[ . 1 . 2]" 1
931 1 63 THR HA 1 119 ILE MD . . 6.000 3.994 3.176 4.792 . 0 0 "[ . 1 . 2]" 1
932 1 63 THR HB 1 64 GLY H . . 3.100 2.704 2.267 3.164 0.064 9 0 "[ . 1 . 2]" 1
933 1 63 THR HB 1 65 ARG H . . 3.800 2.897 2.367 3.605 . 0 0 "[ . 1 . 2]" 1
934 1 63 THR MG 1 64 GLY H . . 6.000 3.713 3.425 4.199 . 0 0 "[ . 1 . 2]" 1
935 1 63 THR MG 1 65 ARG H . . 6.000 4.428 3.995 4.965 . 0 0 "[ . 1 . 2]" 1
936 1 64 GLY H 1 65 ARG H . . 3.700 2.561 2.170 3.013 . 0 0 "[ . 1 . 2]" 1
937 1 64 GLY HA2 1 65 ARG H . . 3.600 3.585 3.541 3.641 0.041 10 0 "[ . 1 . 2]" 1
938 1 64 GLY HA2 1 67 ALA MB . . 6.000 2.468 2.159 3.013 . 0 0 "[ . 1 . 2]" 1
939 1 64 GLY HA2 1 119 ILE MG . . 6.000 3.025 2.552 3.657 . 0 0 "[ . 1 . 2]" 1
940 1 64 GLY HA2 1 119 ILE MD . . 5.500 2.676 2.094 3.578 . 0 0 "[ . 1 . 2]" 1
941 1 64 GLY HA3 1 65 ARG H . . 3.600 2.859 2.759 3.007 . 0 0 "[ . 1 . 2]" 1
942 1 64 GLY HA3 1 67 ALA MB . . 6.000 3.787 3.541 4.178 . 0 0 "[ . 1 . 2]" 1
943 1 64 GLY HA3 1 119 ILE MG . . 6.000 3.951 3.629 4.292 . 0 0 "[ . 1 . 2]" 1
944 1 64 GLY HA3 1 119 ILE MD . . 5.500 3.787 2.842 4.524 . 0 0 "[ . 1 . 2]" 1
945 1 64 GLY QA 1 67 ALA H . . 5.880 3.081 2.823 3.395 . 0 0 "[ . 1 . 2]" 1
946 1 64 GLY QA 1 67 ALA MB . . 5.500 2.437 2.141 2.947 . 0 0 "[ . 1 . 2]" 1
947 1 64 GLY QA 1 68 VAL MG2 . . 6.880 3.904 3.639 4.334 . 0 0 "[ . 1 . 2]" 1
948 1 64 GLY QA 1 119 ILE HB . . 5.080 4.336 4.246 4.432 . 0 0 "[ . 1 . 2]" 1
949 1 64 GLY QA 1 119 ILE MG . . 5.840 2.929 2.505 3.465 . 0 0 "[ . 1 . 2]" 1
950 1 64 GLY QA 1 119 ILE MD . . 4.990 2.617 2.056 3.449 . 0 0 "[ . 1 . 2]" 1
951 1 65 ARG H 1 65 ARG HB2 . . 3.100 2.378 2.130 2.750 . 0 0 "[ . 1 . 2]" 1
952 1 65 ARG H 1 65 ARG HB3 . . 3.000 2.670 2.279 2.960 . 0 0 "[ . 1 . 2]" 1
953 1 65 ARG H 1 65 ARG QG . . 4.480 3.921 3.823 4.033 . 0 0 "[ . 1 . 2]" 1
954 1 65 ARG H 1 65 ARG QD . . 6.000 4.386 3.513 4.727 . 0 0 "[ . 1 . 2]" 1
955 1 65 ARG H 1 66 ALA H . . 2.800 2.845 2.735 2.874 0.074 10 0 "[ . 1 . 2]" 1
956 1 65 ARG H 1 67 ALA MB . . 6.000 4.758 4.448 4.919 . 0 0 "[ . 1 . 2]" 1
957 1 65 ARG HA 1 65 ARG HG2 . . 4.200 3.012 2.304 3.757 . 0 0 "[ . 1 . 2]" 1
958 1 65 ARG HA 1 65 ARG HG3 . . 4.200 2.624 2.316 3.578 . 0 0 "[ . 1 . 2]" 1
959 1 65 ARG HA 1 65 ARG QG . . 3.860 2.380 2.184 2.735 . 0 0 "[ . 1 . 2]" 1
960 1 65 ARG HA 1 68 VAL H . . 3.700 3.527 3.380 3.680 . 0 0 "[ . 1 . 2]" 1
961 1 65 ARG HA 1 68 VAL HB . . 3.500 3.436 3.161 3.562 0.062 3 0 "[ . 1 . 2]" 1
962 1 65 ARG HA 1 68 VAL MG2 . . 5.500 3.078 2.688 3.329 . 0 0 "[ . 1 . 2]" 1
963 1 65 ARG HA 1 69 GLN H . . 5.000 4.084 3.758 4.273 . 0 0 "[ . 1 . 2]" 1
964 1 65 ARG HB2 1 65 ARG QG . . 2.650 2.344 2.090 2.544 . 0 0 "[ . 1 . 2]" 1
965 1 65 ARG HB2 1 66 ALA H . . 4.600 3.740 3.480 4.104 . 0 0 "[ . 1 . 2]" 1
966 1 65 ARG HB3 1 65 ARG QG . . 2.650 2.365 2.135 2.515 . 0 0 "[ . 1 . 2]" 1
967 1 65 ARG HB3 1 66 ALA H . . 3.300 2.492 2.258 2.802 . 0 0 "[ . 1 . 2]" 1
968 1 65 ARG QG 1 66 ALA H . . 4.880 3.761 3.062 4.399 . 0 0 "[ . 1 . 2]" 1
969 1 65 ARG QD 1 69 GLN QE . . 6.870 4.460 3.161 5.398 . 0 0 "[ . 1 . 2]" 1
970 1 66 ALA H 1 66 ALA MB . . 3.400 2.247 2.207 2.283 . 0 0 "[ . 1 . 2]" 1
971 1 66 ALA H 1 67 ALA H . . 2.800 2.758 2.598 2.845 0.045 1 0 "[ . 1 . 2]" 1
972 1 66 ALA HA 1 69 GLN H . . 3.800 3.396 3.218 3.623 . 0 0 "[ . 1 . 2]" 1
973 1 66 ALA HA 1 69 GLN HB2 . . 2.800 2.115 2.002 2.228 . 0 0 "[ . 1 . 2]" 1
974 1 66 ALA HA 1 69 GLN HB3 . . 3.400 3.478 3.470 3.489 0.089 5 0 "[ . 1 . 2]" 1
975 1 66 ALA HA 1 69 GLN HG2 . . 5.000 4.388 3.950 5.032 0.032 17 0 "[ . 1 . 2]" 1
976 1 66 ALA HA 1 69 GLN HG3 . . 5.000 3.523 2.579 4.581 . 0 0 "[ . 1 . 2]" 1
977 1 67 ALA H 1 67 ALA MB . . 3.400 2.256 2.214 2.298 . 0 0 "[ . 1 . 2]" 1
978 1 67 ALA H 1 68 VAL H . . 2.900 2.893 2.671 2.962 0.062 16 0 "[ . 1 . 2]" 1
979 1 67 ALA H 1 68 VAL MG2 . . 6.000 4.329 4.013 4.461 . 0 0 "[ . 1 . 2]" 1
980 1 67 ALA HA 1 70 LEU H . . 3.800 3.197 3.031 3.336 . 0 0 "[ . 1 . 2]" 1
981 1 67 ALA HA 1 70 LEU HB2 . . 3.600 3.459 3.246 3.646 0.046 19 0 "[ . 1 . 2]" 1
982 1 67 ALA HA 1 70 LEU HB3 . . 3.200 2.566 2.286 2.832 . 0 0 "[ . 1 . 2]" 1
983 1 67 ALA HA 1 70 LEU MD1 . . 6.000 4.502 3.280 5.078 . 0 0 "[ . 1 . 2]" 1
984 1 67 ALA HA 1 70 LEU MD2 . . 6.000 4.003 3.103 5.110 . 0 0 "[ . 1 . 2]" 1
985 1 67 ALA HA 1 70 LEU QD . . 7.400 3.401 3.075 3.892 . 0 0 "[ . 1 . 2]" 1
986 1 67 ALA MB 1 68 VAL H . . 3.900 2.452 2.186 2.560 . 0 0 "[ . 1 . 2]" 1
987 1 67 ALA MB 1 68 VAL HA . . 6.000 3.883 3.701 3.957 . 0 0 "[ . 1 . 2]" 1
988 1 67 ALA MB 1 68 VAL MG2 . . 5.900 3.193 2.819 3.424 . 0 0 "[ . 1 . 2]" 1
989 1 67 ALA MB 1 70 LEU H . . 6.000 4.362 4.201 4.489 . 0 0 "[ . 1 . 2]" 1
990 1 67 ALA MB 1 71 TRP H . . 6.000 4.749 4.557 5.004 . 0 0 "[ . 1 . 2]" 1
991 1 67 ALA MB 1 71 TRP HZ2 . . 4.700 2.413 2.210 2.741 . 0 0 "[ . 1 . 2]" 1
992 1 67 ALA MB 1 71 TRP HH2 . . 6.000 3.568 2.936 4.183 . 0 0 "[ . 1 . 2]" 1
993 1 67 ALA MB 1 119 ILE HB . . 4.200 2.959 2.455 3.330 . 0 0 "[ . 1 . 2]" 1
994 1 67 ALA MB 1 119 ILE MG . . 4.800 2.323 2.058 2.825 . 0 0 "[ . 1 . 2]" 1
995 1 67 ALA MB 1 119 ILE QG . . 5.880 3.401 2.241 3.999 . 0 0 "[ . 1 . 2]" 1
996 1 68 VAL H 1 68 VAL HB . . 2.900 2.781 2.710 2.887 . 0 0 "[ . 1 . 2]" 1
997 1 68 VAL H 1 68 VAL MG2 . . 3.400 2.074 1.980 2.128 . 0 0 "[ . 1 . 2]" 1
998 1 68 VAL H 1 69 GLN H . . 3.000 2.721 2.634 2.821 . 0 0 "[ . 1 . 2]" 1
999 1 68 VAL H 1 70 LEU H . . 4.900 4.052 3.924 4.198 . 0 0 "[ . 1 . 2]" 1
1000 1 68 VAL H 1 119 ILE MG . . 6.000 4.660 4.376 4.854 . 0 0 "[ . 1 . 2]" 1
1001 1 68 VAL HA 1 68 VAL MG1 . . 3.400 2.263 2.214 2.309 . 0 0 "[ . 1 . 2]" 1
1002 1 68 VAL HA 1 71 TRP H . . 4.500 3.243 3.105 3.411 . 0 0 "[ . 1 . 2]" 1
1003 1 68 VAL HA 1 71 TRP HB2 . . 3.900 2.840 2.546 3.198 . 0 0 "[ . 1 . 2]" 1
1004 1 68 VAL HA 1 71 TRP HE3 . . 3.200 2.769 2.448 3.210 0.010 18 0 "[ . 1 . 2]" 1
1005 1 68 VAL HA 1 71 TRP HZ3 . . 4.500 3.879 3.428 4.550 0.050 13 0 "[ . 1 . 2]" 1
1006 1 68 VAL HA 1 97 VAL MG2 . . 6.000 3.547 3.254 3.844 . 0 0 "[ . 1 . 2]" 1
1007 1 68 VAL HB 1 69 GLN H . . 3.400 2.641 2.492 2.794 . 0 0 "[ . 1 . 2]" 1
1008 1 68 VAL MG1 1 69 GLN H . . 6.000 3.694 3.514 3.852 . 0 0 "[ . 1 . 2]" 1
1009 1 68 VAL MG1 1 69 GLN HA . . 6.000 3.866 3.580 4.018 . 0 0 "[ . 1 . 2]" 1
1010 1 68 VAL MG1 1 71 TRP HE3 . . 4.400 2.600 2.257 3.057 . 0 0 "[ . 1 . 2]" 1
1011 1 68 VAL MG1 1 71 TRP HZ3 . . 6.000 3.512 3.056 4.272 . 0 0 "[ . 1 . 2]" 1
1012 1 68 VAL MG1 1 72 VAL H . . 6.000 3.778 3.609 4.065 . 0 0 "[ . 1 . 2]" 1
1013 1 68 VAL MG1 1 72 VAL MG2 . . 4.600 2.390 2.160 2.578 . 0 0 "[ . 1 . 2]" 1
1014 1 68 VAL MG1 1 97 VAL MG2 . . 5.100 2.453 2.103 2.832 . 0 0 "[ . 1 . 2]" 1
1015 1 68 VAL MG2 1 71 TRP HE3 . . 6.000 3.310 2.926 3.843 . 0 0 "[ . 1 . 2]" 1
1016 1 68 VAL MG2 1 71 TRP HZ3 . . 4.300 2.718 2.313 3.350 . 0 0 "[ . 1 . 2]" 1
1017 1 68 VAL MG2 1 71 TRP HH2 . . 6.000 3.537 2.993 4.207 . 0 0 "[ . 1 . 2]" 1
1018 1 68 VAL MG2 1 105 LEU MD1 . . 7.000 4.325 3.801 4.668 . 0 0 "[ . 1 . 2]" 1
1019 1 68 VAL MG2 1 105 LEU MD2 . . 7.000 4.282 3.745 4.692 . 0 0 "[ . 1 . 2]" 1
1020 1 69 GLN H 1 69 GLN HB2 . . 3.100 2.220 2.128 2.379 . 0 0 "[ . 1 . 2]" 1
1021 1 69 GLN H 1 69 GLN HB3 . . 3.600 3.507 3.467 3.552 . 0 0 "[ . 1 . 2]" 1
1022 1 69 GLN H 1 69 GLN HG2 . . 5.000 3.052 2.336 4.133 . 0 0 "[ . 1 . 2]" 1
1023 1 69 GLN H 1 69 GLN HG3 . . 5.000 3.047 2.312 3.841 . 0 0 "[ . 1 . 2]" 1
1024 1 69 GLN H 1 69 GLN QG . . 4.270 2.504 2.276 2.924 . 0 0 "[ . 1 . 2]" 1
1025 1 69 GLN H 1 70 LEU H . . 3.200 2.848 2.764 2.927 . 0 0 "[ . 1 . 2]" 1
1026 1 69 GLN H 1 71 TRP H . . 5.000 4.225 4.037 4.435 . 0 0 "[ . 1 . 2]" 1
1027 1 69 GLN HA 1 69 GLN HB3 . . 2.900 2.661 2.561 2.732 . 0 0 "[ . 1 . 2]" 1
1028 1 69 GLN HA 1 69 GLN HG2 . . 3.900 2.493 2.247 2.707 . 0 0 "[ . 1 . 2]" 1
1029 1 69 GLN HA 1 69 GLN HG3 . . 3.900 3.246 2.322 3.702 . 0 0 "[ . 1 . 2]" 1
1030 1 69 GLN HA 1 69 GLN QG . . 3.650 2.383 2.127 2.637 . 0 0 "[ . 1 . 2]" 1
1031 1 69 GLN HA 1 70 LEU H . . 3.600 3.608 3.570 3.648 0.048 4 0 "[ . 1 . 2]" 1
1032 1 69 GLN HA 1 72 VAL H . . 4.100 3.148 2.908 3.439 . 0 0 "[ . 1 . 2]" 1
1033 1 69 GLN HA 1 72 VAL HB . . 2.800 2.396 2.124 2.551 . 0 0 "[ . 1 . 2]" 1
1034 1 69 GLN HA 1 72 VAL MG1 . . 5.500 3.859 3.602 4.124 . 0 0 "[ . 1 . 2]" 1
1035 1 69 GLN HA 1 72 VAL MG2 . . 4.200 3.343 2.622 3.498 . 0 0 "[ . 1 . 2]" 1
1036 1 69 GLN HA 1 73 SER H . . 5.000 4.278 3.717 4.743 . 0 0 "[ . 1 . 2]" 1
1037 1 69 GLN HB2 1 69 GLN HG2 . . 2.900 2.788 2.481 2.984 0.084 18 0 "[ . 1 . 2]" 1
1038 1 69 GLN HB2 1 69 GLN HG3 . . 2.900 2.400 2.232 2.623 . 0 0 "[ . 1 . 2]" 1
1039 1 69 GLN HB2 1 70 LEU H . . 4.000 3.090 2.776 3.415 . 0 0 "[ . 1 . 2]" 1
1040 1 69 GLN HB3 1 69 GLN HG2 . . 3.000 2.786 2.346 3.057 0.057 11 0 "[ . 1 . 2]" 1
1041 1 69 GLN HB3 1 69 GLN HG3 . . 3.000 2.825 2.531 3.062 0.062 9 0 "[ . 1 . 2]" 1
1042 1 69 GLN HB3 1 69 GLN QG . . 2.720 2.435 2.272 2.582 . 0 0 "[ . 1 . 2]" 1
1043 1 69 GLN HB3 1 70 LEU H . . 3.800 3.738 3.503 3.879 0.079 6 0 "[ . 1 . 2]" 1
1044 1 70 LEU H 1 70 LEU HB2 . . 3.100 2.714 2.640 2.831 . 0 0 "[ . 1 . 2]" 1
1045 1 70 LEU H 1 70 LEU HB3 . . 3.300 2.252 2.153 2.336 . 0 0 "[ . 1 . 2]" 1
1046 1 70 LEU H 1 70 LEU HG . . 5.000 4.379 4.254 4.560 . 0 0 "[ . 1 . 2]" 1
1047 1 70 LEU H 1 71 TRP H . . 3.100 2.441 2.269 2.633 . 0 0 "[ . 1 . 2]" 1
1048 1 70 LEU H 1 71 TRP HE1 . . 5.000 5.084 5.066 5.095 0.095 14 0 "[ . 1 . 2]" 1
1049 1 70 LEU HA 1 70 LEU HB2 . . 2.700 2.376 2.307 2.431 . 0 0 "[ . 1 . 2]" 1
1050 1 70 LEU HA 1 70 LEU HB3 . . 3.000 3.029 3.000 3.045 0.045 7 0 "[ . 1 . 2]" 1
1051 1 70 LEU HA 1 73 SER H . . 3.400 3.314 3.007 3.466 0.066 4 0 "[ . 1 . 2]" 1
1052 1 70 LEU HB2 1 71 TRP H . . 4.000 4.037 3.844 4.072 0.072 12 0 "[ . 1 . 2]" 1
1053 1 70 LEU HB3 1 70 LEU HG . . 2.700 2.465 2.411 2.512 . 0 0 "[ . 1 . 2]" 1
1054 1 70 LEU HB3 1 71 TRP H . . 3.300 2.766 2.457 2.862 . 0 0 "[ . 1 . 2]" 1
1055 1 70 LEU QD 1 71 TRP HD1 . . 7.170 2.678 1.959 3.548 . 0 0 "[ . 1 . 2]" 1
1056 1 71 TRP H 1 71 TRP HB2 . . 3.200 2.616 2.507 2.702 . 0 0 "[ . 1 . 2]" 1
1057 1 71 TRP H 1 71 TRP HB3 . . 4.000 3.607 3.568 3.645 . 0 0 "[ . 1 . 2]" 1
1058 1 71 TRP H 1 71 TRP HD1 . . 5.000 2.775 2.545 3.026 . 0 0 "[ . 1 . 2]" 1
1059 1 71 TRP H 1 72 VAL H . . 3.500 2.668 2.478 2.809 . 0 0 "[ . 1 . 2]" 1
1060 1 71 TRP H 1 72 VAL MG2 . . 6.000 4.248 4.107 4.458 . 0 0 "[ . 1 . 2]" 1
1061 1 71 TRP HB2 1 72 VAL H . . 3.700 2.683 2.272 3.045 . 0 0 "[ . 1 . 2]" 1
1062 1 71 TRP HB2 1 97 VAL MG2 . . 4.800 2.309 2.056 2.685 . 0 0 "[ . 1 . 2]" 1
1063 1 71 TRP HB3 1 72 VAL H . . 4.800 3.833 3.528 4.085 . 0 0 "[ . 1 . 2]" 1
1064 1 71 TRP HB3 1 93 HIS HA . . 5.000 4.128 3.374 4.547 . 0 0 "[ . 1 . 2]" 1
1065 1 71 TRP HB3 1 93 HIS HB2 . . 5.000 3.283 2.212 4.078 . 0 0 "[ . 1 . 2]" 1
1066 1 71 TRP HB3 1 93 HIS HB3 . . 5.000 2.238 2.050 2.467 . 0 0 "[ . 1 . 2]" 1
1067 1 71 TRP HB3 1 94 TYR H . . 5.000 3.947 3.274 4.509 . 0 0 "[ . 1 . 2]" 1
1068 1 71 TRP HB3 1 97 VAL MG2 . . 4.700 2.510 2.070 3.131 . 0 0 "[ . 1 . 2]" 1
1069 1 71 TRP HE3 1 72 VAL MG2 . . 6.000 4.544 4.087 4.913 . 0 0 "[ . 1 . 2]" 1
1070 1 71 TRP HE3 1 97 VAL MG1 . . 6.000 3.772 3.332 4.159 . 0 0 "[ . 1 . 2]" 1
1071 1 71 TRP HE3 1 97 VAL MG2 . . 3.900 2.029 1.944 2.202 . 0 0 "[ . 1 . 2]" 1
1072 1 71 TRP HE3 1 123 TYR HH . . 5.000 3.429 2.806 4.034 . 0 0 "[ . 1 . 2]" 1
1073 1 71 TRP HZ3 1 97 VAL MG2 . . 4.700 3.548 3.014 3.805 . 0 0 "[ . 1 . 2]" 1
1074 1 71 TRP HZ3 1 121 CYS HB2 . . 5.000 3.495 2.526 4.976 . 0 0 "[ . 1 . 2]" 1
1075 1 71 TRP HZ3 1 121 CYS HB3 . . 5.000 3.501 2.625 4.774 . 0 0 "[ . 1 . 2]" 1
1076 1 71 TRP HZ3 1 123 TYR HH . . 4.800 2.821 2.367 3.319 . 0 0 "[ . 1 . 2]" 1
1077 1 71 TRP HZ2 1 119 ILE MG . . 5.600 2.395 2.119 3.030 . 0 0 "[ . 1 . 2]" 1
1078 1 71 TRP HH2 1 119 ILE MG . . 4.400 2.714 2.349 3.487 . 0 0 "[ . 1 . 2]" 1
1079 1 71 TRP HH2 1 121 CYS HB2 . . 5.000 2.765 2.242 3.974 . 0 0 "[ . 1 . 2]" 1
1080 1 71 TRP HH2 1 121 CYS HB3 . . 5.000 3.485 2.115 4.743 . 0 0 "[ . 1 . 2]" 1
1081 1 72 VAL H 1 72 VAL HB . . 3.000 2.415 2.305 2.716 . 0 0 "[ . 1 . 2]" 1
1082 1 72 VAL H 1 72 VAL MG2 . . 3.800 2.296 2.088 2.434 . 0 0 "[ . 1 . 2]" 1
1083 1 72 VAL H 1 73 SER H . . 3.200 2.674 2.423 2.893 . 0 0 "[ . 1 . 2]" 1
1084 1 72 VAL HA 1 74 GLU H . . 4.200 3.382 3.127 4.016 . 0 0 "[ . 1 . 2]" 1
1085 1 72 VAL HA 1 78 TYR QE . . 7.000 5.033 3.790 6.408 . 0 0 "[ . 1 . 2]" 1
1086 1 72 VAL HA 1 94 TYR QD . . 7.000 2.561 2.069 4.636 . 0 0 "[ . 1 . 2]" 1
1087 1 72 VAL HA 1 97 VAL MG2 . . 6.000 4.342 3.830 4.834 . 0 0 "[ . 1 . 2]" 1
1088 1 72 VAL HB 1 73 SER H . . 3.600 3.467 2.886 3.681 0.081 8 0 "[ . 1 . 2]" 1
1089 1 72 VAL MG1 1 73 SER H . . 6.000 4.026 3.498 4.253 . 0 0 "[ . 1 . 2]" 1
1090 1 72 VAL MG1 1 73 SER HA . . 6.000 4.003 2.966 4.462 . 0 0 "[ . 1 . 2]" 1
1091 1 72 VAL MG1 1 75 ARG H . . 6.000 3.963 3.543 4.514 . 0 0 "[ . 1 . 2]" 1
1092 1 72 VAL MG1 1 75 ARG HD2 . . 6.000 4.082 2.726 5.076 . 0 0 "[ . 1 . 2]" 1
1093 1 72 VAL MG1 1 75 ARG HD3 . . 6.000 4.033 2.754 5.047 . 0 0 "[ . 1 . 2]" 1
1094 1 72 VAL MG1 1 78 TYR QD . . 8.000 4.195 3.278 5.487 . 0 0 "[ . 1 . 2]" 1
1095 1 72 VAL MG1 1 78 TYR QE . . 8.000 3.472 2.466 5.886 . 0 0 "[ . 1 . 2]" 1
1096 1 72 VAL MG1 1 94 TYR QD . . 8.000 2.991 2.239 4.606 . 0 0 "[ . 1 . 2]" 1
1097 1 72 VAL MG1 1 94 TYR QE . . 8.000 3.130 2.283 5.907 . 0 0 "[ . 1 . 2]" 1
1098 1 72 VAL MG2 1 73 SER H . . 6.000 4.243 3.970 4.345 . 0 0 "[ . 1 . 2]" 1
1099 1 72 VAL MG2 1 78 TYR QD . . 8.000 5.262 4.870 5.978 . 0 0 "[ . 1 . 2]" 1
1100 1 72 VAL MG2 1 78 TYR QE . . 8.000 4.834 3.510 5.722 . 0 0 "[ . 1 . 2]" 1
1101 1 72 VAL MG2 1 94 TYR QD . . 8.000 2.658 2.152 4.391 . 0 0 "[ . 1 . 2]" 1
1102 1 72 VAL MG2 1 97 VAL HB . . 6.000 3.378 2.886 4.136 . 0 0 "[ . 1 . 2]" 1
1103 1 73 SER H 1 74 GLU H . . 3.400 2.864 2.600 3.075 . 0 0 "[ . 1 . 2]" 1
1104 1 73 SER HA 1 75 ARG H . . 4.600 3.194 2.753 3.558 . 0 0 "[ . 1 . 2]" 1
1105 1 74 GLU H 1 74 GLU HB2 . . 3.500 2.669 2.177 3.573 0.073 15 0 "[ . 1 . 2]" 1
1106 1 74 GLU H 1 74 GLU HB3 . . 3.700 3.361 2.225 3.620 . 0 0 "[ . 1 . 2]" 1
1107 1 74 GLU H 1 74 GLU HG2 . . 3.900 2.559 1.886 3.924 0.024 1 0 "[ . 1 . 2]" 1
1108 1 74 GLU H 1 74 GLU HG3 . . 3.900 3.297 1.936 3.982 0.082 11 0 "[ . 1 . 2]" 1
1109 1 74 GLU H 1 74 GLU QG . . 3.500 2.290 1.877 3.199 . 0 0 "[ . 1 . 2]" 1
1110 1 74 GLU H 1 75 ARG H . . 3.300 3.006 2.586 3.367 0.067 4 0 "[ . 1 . 2]" 1
1111 1 74 GLU H 1 94 TYR QB . . 5.880 3.726 3.016 4.589 . 0 0 "[ . 1 . 2]" 1
1112 1 74 GLU HA 1 74 GLU QG . . 3.910 2.941 2.342 3.405 . 0 0 "[ . 1 . 2]" 1
1113 1 74 GLU HA 1 76 PRO QD . . 5.880 3.213 2.701 3.916 . 0 0 "[ . 1 . 2]" 1
1114 1 74 GLU HB2 1 91 CYS HA . . 5.000 3.612 2.543 4.475 . 0 0 "[ . 1 . 2]" 1
1115 1 74 GLU HB2 1 94 TYR QB . . 4.880 2.695 2.094 4.453 . 0 0 "[ . 1 . 2]" 1
1116 1 74 GLU HB3 1 91 CYS HA . . 3.000 2.791 2.084 3.082 0.082 3 0 "[ . 1 . 2]" 1
1117 1 74 GLU HG2 1 91 CYS HA . . 5.000 4.102 2.323 5.056 0.056 18 0 "[ . 1 . 2]" 1
1118 1 74 GLU HG3 1 91 CYS HA . . 5.000 3.440 2.263 4.789 . 0 0 "[ . 1 . 2]" 1
1119 1 74 GLU QG 1 91 CYS HA . . 4.490 3.056 2.249 4.051 . 0 0 "[ . 1 . 2]" 1
1120 1 75 ARG H 1 75 ARG HB2 . . 3.400 2.406 2.112 2.821 . 0 0 "[ . 1 . 2]" 1
1121 1 75 ARG H 1 75 ARG HB3 . . 3.300 2.788 2.349 3.383 0.083 12 0 "[ . 1 . 2]" 1
1122 1 75 ARG H 1 76 PRO HD2 . . 5.000 2.685 1.954 3.198 . 0 0 "[ . 1 . 2]" 1
1123 1 75 ARG H 1 76 PRO HD3 . . 5.000 3.566 2.956 4.240 . 0 0 "[ . 1 . 2]" 1
1124 1 75 ARG HA 1 75 ARG HB2 . . 3.000 2.495 2.253 3.001 0.001 12 0 "[ . 1 . 2]" 1
1125 1 75 ARG HA 1 75 ARG QG . . 4.000 2.314 2.149 2.629 . 0 0 "[ . 1 . 2]" 1
1126 1 75 ARG HA 1 77 SER H . . 5.000 3.980 3.485 4.549 . 0 0 "[ . 1 . 2]" 1
1127 1 75 ARG HA 1 78 TYR H . . 4.300 3.391 2.691 4.281 . 0 0 "[ . 1 . 2]" 1
1128 1 75 ARG HB2 1 76 PRO HD2 . . 5.000 3.913 2.971 4.713 . 0 0 "[ . 1 . 2]" 1
1129 1 75 ARG HB2 1 76 PRO HD3 . . 5.000 3.754 2.484 4.528 . 0 0 "[ . 1 . 2]" 1
1130 1 75 ARG HB2 1 76 PRO QD . . 4.310 3.362 2.366 3.900 . 0 0 "[ . 1 . 2]" 1
1131 1 75 ARG HB2 1 78 TYR QE . . 7.000 4.214 3.119 6.565 . 0 0 "[ . 1 . 2]" 1
1132 1 75 ARG HB3 1 76 PRO HD2 . . 3.600 3.017 2.337 3.670 0.070 12 0 "[ . 1 . 2]" 1
1133 1 75 ARG HB3 1 76 PRO HD3 . . 3.600 2.365 2.180 2.918 . 0 0 "[ . 1 . 2]" 1
1134 1 75 ARG HB3 1 76 PRO QD . . 3.200 2.246 2.089 2.644 . 0 0 "[ . 1 . 2]" 1
1135 1 76 PRO QD 1 77 SER H . . 5.350 3.194 2.740 4.155 . 0 0 "[ . 1 . 2]" 1
1136 1 77 SER H 1 77 SER HB2 . . 4.000 3.504 3.183 3.913 . 0 0 "[ . 1 . 2]" 1
1137 1 77 SER H 1 77 SER HB3 . . 3.300 3.262 2.922 3.379 0.079 7 0 "[ . 1 . 2]" 1
1138 1 77 SER H 1 78 TYR H . . 3.100 2.276 1.805 2.721 . 0 0 "[ . 1 . 2]" 1
1139 1 77 SER HA 1 77 SER HB2 . . 2.700 2.624 2.423 2.768 0.068 4 0 "[ . 1 . 2]" 1
1140 1 77 SER HA 1 77 SER HB3 . . 2.600 2.287 2.186 2.410 . 0 0 "[ . 1 . 2]" 1
1141 1 77 SER HA 1 78 TYR H . . 3.600 3.507 3.317 3.625 0.025 5 0 "[ . 1 . 2]" 1
1142 1 77 SER HA 1 86 VAL HB . . 3.300 2.347 2.103 2.834 . 0 0 "[ . 1 . 2]" 1
1143 1 77 SER HA 1 86 VAL MG2 . . 3.700 2.894 2.316 3.019 . 0 0 "[ . 1 . 2]" 1
1144 1 77 SER HB2 1 78 TYR H . . 3.800 3.844 3.719 3.884 0.084 14 0 "[ . 1 . 2]" 1
1145 1 77 SER HB2 1 86 VAL H . . 5.000 4.087 2.947 5.076 0.076 5 0 "[ . 1 . 2]" 1
1146 1 77 SER HB2 1 86 VAL HB . . 4.000 3.622 2.751 4.083 0.083 20 0 "[ . 1 . 2]" 1
1147 1 77 SER HB2 1 86 VAL MG2 . . 6.000 4.547 4.115 4.946 . 0 0 "[ . 1 . 2]" 1
1148 1 77 SER HB3 1 86 VAL HB . . 4.400 3.743 2.551 4.471 0.071 3 0 "[ . 1 . 2]" 1
1149 1 77 SER HB3 1 86 VAL MG2 . . 6.000 4.668 3.942 4.969 . 0 0 "[ . 1 . 2]" 1
1150 1 77 SER HB3 1 91 CYS QB . . 5.880 4.165 2.961 5.265 . 0 0 "[ . 1 . 2]" 1
1151 1 78 TYR H 1 78 TYR HB2 . . 3.600 3.423 2.062 3.691 0.091 14 0 "[ . 1 . 2]" 1
1152 1 78 TYR H 1 78 TYR HB3 . . 3.100 2.512 2.112 3.174 0.074 20 0 "[ . 1 . 2]" 1
1153 1 78 TYR HA 1 79 ASN H . . 2.800 2.292 2.102 2.457 . 0 0 "[ . 1 . 2]" 1
1154 1 78 TYR HA 1 85 CYS HA . . 2.900 2.543 2.192 2.966 0.066 20 0 "[ . 1 . 2]" 1
1155 1 78 TYR HA 1 86 VAL MG2 . . 6.000 3.870 2.639 4.754 . 0 0 "[ . 1 . 2]" 1
1156 1 78 TYR HB2 1 94 TYR QD . . 7.000 3.114 2.507 4.870 . 0 0 "[ . 1 . 2]" 1
1157 1 78 TYR QD 1 85 CYS HA . . 7.000 5.113 4.101 5.835 . 0 0 "[ . 1 . 2]" 1
1158 1 78 TYR QD 1 94 TYR HA . . 7.000 5.557 5.258 5.980 . 0 0 "[ . 1 . 2]" 1
1159 1 78 TYR QD 1 94 TYR QB . . 7.880 3.422 2.977 4.141 . 0 0 "[ . 1 . 2]" 1
1160 1 78 TYR QD 1 94 TYR QD . . 7.700 3.222 3.061 3.407 . 0 0 "[ . 1 . 2]" 1
1161 1 78 TYR QD 1 94 TYR QE . . 9.000 3.089 2.790 3.419 . 0 0 "[ . 1 . 2]" 1
1162 1 78 TYR QD 1 98 VAL MG1 . . 8.000 4.822 4.407 5.370 . 0 0 "[ . 1 . 2]" 1
1163 1 78 TYR QE 1 80 TYR HB2 . . 7.000 4.175 2.319 5.887 . 0 0 "[ . 1 . 2]" 1
1164 1 78 TYR QE 1 94 TYR QD . . 9.000 3.698 3.030 4.451 . 0 0 "[ . 1 . 2]" 1
1165 1 78 TYR QE 1 94 TYR QE . . 7.100 2.942 2.660 3.281 . 0 0 "[ . 1 . 2]" 1
1166 1 78 TYR QE 1 98 VAL MG1 . . 8.000 4.973 2.514 5.750 . 0 0 "[ . 1 . 2]" 1
1167 1 78 TYR QE 1 98 VAL MG2 . . 8.000 4.276 2.530 4.801 . 0 0 "[ . 1 . 2]" 1
1168 1 78 TYR QE 1 135 TYR QB . . 7.880 5.755 4.116 6.376 . 0 0 "[ . 1 . 2]" 1
1169 1 79 ASN H 1 79 ASN HB2 . . 3.500 3.310 2.982 3.536 0.036 1 0 "[ . 1 . 2]" 1
1170 1 79 ASN H 1 79 ASN HB3 . . 3.500 2.942 2.123 3.272 . 0 0 "[ . 1 . 2]" 1
1171 1 79 ASN H 1 84 GLN H . . 4.600 4.328 3.572 4.682 0.082 13 0 "[ . 1 . 2]" 1
1172 1 79 ASN H 1 85 CYS HA . . 4.400 3.111 2.055 4.257 . 0 0 "[ . 1 . 2]" 1
1173 1 79 ASN H 1 86 VAL MG2 . . 6.000 3.515 2.495 4.239 . 0 0 "[ . 1 . 2]" 1
1174 1 79 ASN HB2 1 86 VAL MG1 . . 6.000 4.650 3.961 5.045 . 0 0 "[ . 1 . 2]" 1
1175 1 79 ASN HB2 1 86 VAL MG2 . . 5.100 2.340 1.957 2.927 . 0 0 "[ . 1 . 2]" 1
1176 1 79 ASN HB3 1 86 VAL MG1 . . 6.000 4.949 4.333 5.083 . 0 0 "[ . 1 . 2]" 1
1177 1 79 ASN HB3 1 86 VAL MG2 . . 5.100 2.523 2.226 3.400 . 0 0 "[ . 1 . 2]" 1
1178 1 79 ASN QB 1 84 GLN H . . 5.880 4.641 3.517 5.134 . 0 0 "[ . 1 . 2]" 1
1179 1 79 ASN QB 1 86 VAL MG2 . . 4.630 2.104 1.944 2.452 . 0 0 "[ . 1 . 2]" 1
1180 1 80 TYR H 1 80 TYR HB2 . . 3.600 2.617 2.219 3.599 . 0 0 "[ . 1 . 2]" 1
1181 1 80 TYR H 1 80 TYR HB3 . . 3.800 2.923 2.482 3.792 . 0 0 "[ . 1 . 2]" 1
1182 1 80 TYR H 1 81 ALA H . . 4.000 3.546 1.928 4.091 0.091 5 0 "[ . 1 . 2]" 1
1183 1 80 TYR HA 1 80 TYR QE . . 5.600 4.471 4.159 4.755 . 0 0 "[ . 1 . 2]" 1
1184 1 80 TYR HA 1 83 ASN H . . 5.000 3.234 2.577 4.574 . 0 0 "[ . 1 . 2]" 1
1185 1 80 TYR HA 1 83 ASN HA . . 4.200 3.024 2.191 4.041 . 0 0 "[ . 1 . 2]" 1
1186 1 80 TYR HA 1 83 ASN QD . . 5.870 4.618 3.426 5.321 . 0 0 "[ . 1 . 2]" 1
1187 1 80 TYR HB2 1 81 ALA H . . 4.400 3.827 3.378 4.465 0.065 7 0 "[ . 1 . 2]" 1
1188 1 80 TYR HB3 1 81 ALA H . . 3.700 2.767 1.910 3.792 0.092 8 0 "[ . 1 . 2]" 1
1189 1 80 TYR HB3 1 135 TYR QD . . 6.900 5.468 4.508 6.381 . 0 0 "[ . 1 . 2]" 1
1190 1 80 TYR QD 1 81 ALA H . . 7.000 3.236 2.107 4.665 . 0 0 "[ . 1 . 2]" 1
1191 1 80 TYR QD 1 81 ALA HA . . 7.000 4.033 3.037 5.225 . 0 0 "[ . 1 . 2]" 1
1192 1 80 TYR QD 1 81 ALA MB . . 8.000 4.665 4.021 5.626 . 0 0 "[ . 1 . 2]" 1
1193 1 80 TYR QD 1 82 THR H . . 7.000 4.838 3.068 6.281 . 0 0 "[ . 1 . 2]" 1
1194 1 80 TYR QE 1 83 ASN HA . . 6.100 4.330 3.151 5.581 . 0 0 "[ . 1 . 2]" 1
1195 1 80 TYR QE 1 135 TYR QB . . 7.880 3.343 2.162 4.151 . 0 0 "[ . 1 . 2]" 1
1196 1 81 ALA H 1 81 ALA MB . . 3.400 2.670 2.220 2.926 . 0 0 "[ . 1 . 2]" 1
1197 1 81 ALA H 1 82 THR H . . 3.300 3.177 2.669 3.387 0.087 15 0 "[ . 1 . 2]" 1
1198 1 81 ALA H 1 82 THR MG . . 6.000 4.793 4.247 4.929 . 0 0 "[ . 1 . 2]" 1
1199 1 81 ALA MB 1 82 THR H . . 4.200 2.378 1.890 2.907 . 0 0 "[ . 1 . 2]" 1
1200 1 81 ALA MB 1 82 THR MG . . 5.400 2.540 2.185 2.972 . 0 0 "[ . 1 . 2]" 1
1201 1 81 ALA MB 1 83 ASN H . . 6.000 4.150 3.727 4.740 . 0 0 "[ . 1 . 2]" 1
1202 1 82 THR H 1 82 THR MG . . 4.000 2.488 1.874 3.047 . 0 0 "[ . 1 . 2]" 1
1203 1 82 THR H 1 83 ASN H . . 2.800 2.420 1.796 2.880 0.080 5 0 "[ . 1 . 2]" 1
1204 1 82 THR HA 1 82 THR MG . . 3.400 2.363 2.209 2.999 . 0 0 "[ . 1 . 2]" 1
1205 1 82 THR HA 1 84 GLN QG . . 6.000 4.556 3.909 5.189 . 0 0 "[ . 1 . 2]" 1
1206 1 82 THR HB 1 84 GLN QG . . 5.200 3.395 2.177 4.311 . 0 0 "[ . 1 . 2]" 1
1207 1 83 ASN H 1 84 GLN H . . 3.400 2.971 2.309 3.385 . 0 0 "[ . 1 . 2]" 1
1208 1 83 ASN HA 1 83 ASN HB2 . . 3.000 2.514 2.417 2.635 . 0 0 "[ . 1 . 2]" 1
1209 1 83 ASN HA 1 84 GLN H . . 3.200 2.722 2.198 3.016 . 0 0 "[ . 1 . 2]" 1
1210 1 84 GLN HA 1 85 CYS H . . 3.200 2.619 2.259 3.258 0.058 17 0 "[ . 1 . 2]" 1
1211 1 84 GLN HA 1 135 TYR QD . . 7.000 5.582 3.740 6.555 . 0 0 "[ . 1 . 2]" 1
1212 1 85 CYS H 1 85 CYS HB2 . . 3.400 2.631 2.133 3.486 0.086 9 0 "[ . 1 . 2]" 1
1213 1 85 CYS HA 1 85 CYS HB3 . . 2.900 2.700 2.383 2.981 0.081 12 0 "[ . 1 . 2]" 1
1214 1 85 CYS HA 1 86 VAL H . . 3.000 2.380 2.062 2.995 . 0 0 "[ . 1 . 2]" 1
1215 1 85 CYS HA 1 86 VAL MG2 . . 6.000 3.749 3.228 4.266 . 0 0 "[ . 1 . 2]" 1
1216 1 85 CYS HA 1 91 CYS QB . . 5.880 4.382 3.352 4.977 . 0 0 "[ . 1 . 2]" 1
1217 1 85 CYS HB3 1 86 VAL H . . 4.200 3.309 2.050 4.286 0.086 17 0 "[ . 1 . 2]" 1
1218 1 86 VAL H 1 86 VAL HB . . 3.300 2.441 2.088 3.323 0.023 18 0 "[ . 1 . 2]" 1
1219 1 86 VAL H 1 86 VAL MG2 . . 3.900 2.422 2.146 2.797 . 0 0 "[ . 1 . 2]" 1
1220 1 86 VAL HA 1 86 VAL HB . . 3.000 3.007 2.912 3.039 0.039 19 0 "[ . 1 . 2]" 1
1221 1 86 VAL HA 1 87 GLY H . . 2.700 2.322 2.048 2.758 0.058 11 0 "[ . 1 . 2]" 1
1222 1 86 VAL HA 1 87 GLY QA . . 5.700 4.020 3.856 4.249 . 0 0 "[ . 1 . 2]" 1
1223 1 86 VAL HB 1 87 GLY H . . 4.100 4.049 3.510 4.192 0.092 3 0 "[ . 1 . 2]" 1
1224 1 86 VAL MG1 1 87 GLY H . . 5.200 2.558 1.818 4.051 . 0 0 "[ . 1 . 2]" 1
1225 1 86 VAL MG1 1 87 GLY QA . . 7.000 3.243 2.803 4.043 . 0 0 "[ . 1 . 2]" 1
1226 1 87 GLY QA 1 89 LYS QG . . 6.880 4.841 3.109 5.591 . 0 0 "[ . 1 . 2]" 1
1227 1 88 GLY H 1 89 LYS H . . 4.000 3.162 2.026 4.081 0.081 1 0 "[ . 1 . 2]" 1
1228 1 89 LYS H 1 89 LYS HB2 . . 3.200 2.520 2.169 2.985 . 0 0 "[ . 1 . 2]" 1
1229 1 89 LYS H 1 89 LYS HB3 . . 3.900 3.668 3.492 3.942 0.042 19 0 "[ . 1 . 2]" 1
1230 1 89 LYS H 1 89 LYS HG2 . . 5.000 3.539 2.497 4.952 . 0 0 "[ . 1 . 2]" 1
1231 1 89 LYS H 1 89 LYS HG3 . . 5.000 3.564 2.674 4.654 . 0 0 "[ . 1 . 2]" 1
1232 1 89 LYS H 1 89 LYS QG . . 4.630 3.113 2.432 3.994 . 0 0 "[ . 1 . 2]" 1
1233 1 89 LYS H 1 89 LYS QD . . 5.880 3.828 1.891 5.297 . 0 0 "[ . 1 . 2]" 1
1234 1 89 LYS HA 1 89 LYS HB3 . . 2.900 2.469 2.292 2.642 . 0 0 "[ . 1 . 2]" 1
1235 1 89 LYS HA 1 89 LYS HG2 . . 3.400 2.696 2.081 3.492 0.092 14 0 "[ . 1 . 2]" 1
1236 1 89 LYS HA 1 89 LYS HG3 . . 3.400 3.038 2.174 3.498 0.098 17 0 "[ . 1 . 2]" 1
1237 1 89 LYS HA 1 89 LYS QG . . 3.040 2.249 2.059 2.517 . 0 0 "[ . 1 . 2]" 1
1238 1 89 LYS HA 1 89 LYS HD2 . . 3.700 3.425 2.437 3.801 0.101 13 0 "[ . 1 . 2]" 1
1239 1 89 LYS HA 1 89 LYS HD3 . . 3.700 3.535 2.305 3.790 0.090 1 0 "[ . 1 . 2]" 1
1240 1 89 LYS HA 1 90 LYS H . . 2.800 2.623 2.266 2.871 0.071 17 0 "[ . 1 . 2]" 1
1241 1 89 LYS HB2 1 90 LYS H . . 3.400 3.389 3.061 3.481 0.081 8 0 "[ . 1 . 2]" 1
1242 1 89 LYS HB3 1 90 LYS H . . 3.500 2.118 1.883 2.351 . 0 0 "[ . 1 . 2]" 1
1243 1 90 LYS H 1 90 LYS HG2 . . 4.700 3.867 2.698 4.541 . 0 0 "[ . 1 . 2]" 1
1244 1 90 LYS H 1 90 LYS HG3 . . 4.700 3.439 2.081 4.611 . 0 0 "[ . 1 . 2]" 1
1245 1 90 LYS H 1 90 LYS QG . . 4.280 3.115 2.060 3.965 . 0 0 "[ . 1 . 2]" 1
1246 1 90 LYS HA 1 90 LYS HG2 . . 3.600 2.660 2.201 3.388 . 0 0 "[ . 1 . 2]" 1
1247 1 90 LYS HA 1 90 LYS HG3 . . 3.600 2.883 2.246 3.685 0.085 9 0 "[ . 1 . 2]" 1
1248 1 90 LYS HA 1 90 LYS QG . . 3.290 2.348 2.164 2.707 . 0 0 "[ . 1 . 2]" 1
1249 1 90 LYS HA 1 91 CYS H . . 2.700 2.395 2.077 2.761 0.061 5 0 "[ . 1 . 2]" 1
1250 1 90 LYS HA 1 92 ARG H . . 5.000 4.032 2.757 5.093 0.093 16 0 "[ . 1 . 2]" 1
1251 1 90 LYS QB 1 91 CYS H . . 5.500 3.794 2.663 4.035 . 0 0 "[ . 1 . 2]" 1
1252 1 91 CYS H 1 92 ARG H . . 3.500 2.800 1.793 3.570 0.070 14 0 "[ . 1 . 2]" 1
1253 1 91 CYS HA 1 91 CYS HB2 . . 3.000 2.531 2.158 3.030 0.030 18 0 "[ . 1 . 2]" 1
1254 1 91 CYS HA 1 91 CYS HB3 . . 3.000 2.544 2.171 3.046 0.046 6 0 "[ . 1 . 2]" 1
1255 1 91 CYS QB 1 94 TYR QD . . 7.580 4.583 2.202 5.696 . 0 0 "[ . 1 . 2]" 1
1256 1 92 ARG H 1 92 ARG HG2 . . 5.000 4.212 2.820 5.059 0.059 18 0 "[ . 1 . 2]" 1
1257 1 92 ARG H 1 92 ARG HG3 . . 5.000 4.592 4.219 5.048 0.048 7 0 "[ . 1 . 2]" 1
1258 1 92 ARG H 1 93 HIS H . . 4.600 3.312 2.439 3.903 . 0 0 "[ . 1 . 2]" 1
1259 1 92 ARG HA 1 92 ARG HG2 . . 3.900 3.181 2.134 3.814 . 0 0 "[ . 1 . 2]" 1
1260 1 92 ARG HA 1 92 ARG HG3 . . 3.900 3.428 3.025 3.676 . 0 0 "[ . 1 . 2]" 1
1261 1 92 ARG HA 1 92 ARG QG . . 3.500 2.807 2.114 3.249 . 0 0 "[ . 1 . 2]" 1
1262 1 92 ARG HA 1 92 ARG HD2 . . 4.000 2.616 2.163 3.647 . 0 0 "[ . 1 . 2]" 1
1263 1 92 ARG HA 1 92 ARG HD3 . . 4.000 2.401 2.013 3.869 . 0 0 "[ . 1 . 2]" 1
1264 1 92 ARG HA 1 92 ARG QD . . 3.300 2.153 1.941 2.946 . 0 0 "[ . 1 . 2]" 1
1265 1 92 ARG HA 1 95 THR MG . . 5.100 3.435 2.566 4.181 . 0 0 "[ . 1 . 2]" 1
1266 1 92 ARG QG 1 128 ASN QD . . 6.740 3.932 2.222 5.308 . 0 0 "[ . 1 . 2]" 1
1267 1 92 ARG HD2 1 95 THR MG . . 6.000 4.686 3.702 4.984 . 0 0 "[ . 1 . 2]" 1
1268 1 92 ARG HD3 1 95 THR MG . . 6.000 4.137 2.818 4.914 . 0 0 "[ . 1 . 2]" 1
1269 1 92 ARG QD 1 93 HIS HD2 . . 5.880 5.084 4.303 5.334 . 0 0 "[ . 1 . 2]" 1
1270 1 93 HIS H 1 93 HIS QB . . 3.910 2.731 2.287 3.082 . 0 0 "[ . 1 . 2]" 1
1271 1 93 HIS H 1 94 TYR H . . 3.200 2.342 2.000 2.837 . 0 0 "[ . 1 . 2]" 1
1272 1 93 HIS H 1 95 THR H . . 5.000 3.186 2.410 4.266 . 0 0 "[ . 1 . 2]" 1
1273 1 93 HIS HA 1 93 HIS HD2 . . 4.400 2.387 2.143 3.109 . 0 0 "[ . 1 . 2]" 1
1274 1 93 HIS HA 1 96 GLN H . . 4.300 3.420 3.015 3.644 . 0 0 "[ . 1 . 2]" 1
1275 1 93 HIS HA 1 96 GLN QB . . 4.880 3.063 2.315 3.834 . 0 0 "[ . 1 . 2]" 1
1276 1 93 HIS HB2 1 94 TYR H . . 4.000 2.619 2.414 2.985 . 0 0 "[ . 1 . 2]" 1
1277 1 93 HIS HB3 1 94 TYR H . . 4.000 3.272 2.261 3.853 . 0 0 "[ . 1 . 2]" 1
1278 1 93 HIS QB 1 94 TYR H . . 3.750 2.465 2.192 2.846 . 0 0 "[ . 1 . 2]" 1
1279 1 94 TYR H 1 94 TYR HB2 . . 3.600 2.600 2.276 3.491 . 0 0 "[ . 1 . 2]" 1
1280 1 94 TYR H 1 94 TYR HB3 . . 3.600 2.519 2.176 2.769 . 0 0 "[ . 1 . 2]" 1
1281 1 94 TYR H 1 94 TYR QB . . 3.390 2.236 2.119 2.337 . 0 0 "[ . 1 . 2]" 1
1282 1 94 TYR H 1 95 THR H . . 3.900 2.905 2.656 3.108 . 0 0 "[ . 1 . 2]" 1
1283 1 94 TYR HA 1 97 VAL H . . 4.200 3.189 2.933 3.424 . 0 0 "[ . 1 . 2]" 1
1284 1 94 TYR HA 1 97 VAL HB . . 3.000 2.459 2.187 2.732 . 0 0 "[ . 1 . 2]" 1
1285 1 94 TYR HA 1 97 VAL MG2 . . 4.200 2.736 2.264 3.176 . 0 0 "[ . 1 . 2]" 1
1286 1 94 TYR QB 1 97 VAL MG1 . . 6.880 4.959 4.449 5.128 . 0 0 "[ . 1 . 2]" 1
1287 1 94 TYR QD 1 95 THR MG . . 7.800 3.370 2.460 5.104 . 0 0 "[ . 1 . 2]" 1
1288 1 94 TYR QD 1 98 VAL MG1 . . 8.000 3.609 3.044 4.337 . 0 0 "[ . 1 . 2]" 1
1289 1 94 TYR QE 1 95 THR MG . . 8.000 4.660 3.127 5.898 . 0 0 "[ . 1 . 2]" 1
1290 1 94 TYR QE 1 98 VAL MG1 . . 8.000 2.764 2.306 4.067 . 0 0 "[ . 1 . 2]" 1
1291 1 94 TYR QE 1 98 VAL MG2 . . 8.000 2.535 2.103 2.984 . 0 0 "[ . 1 . 2]" 1
1292 1 94 TYR QE 1 135 TYR QE . . 9.000 3.788 2.397 6.109 . 0 0 "[ . 1 . 2]" 1
1293 1 95 THR H 1 95 THR MG . . 3.900 2.314 1.946 2.632 . 0 0 "[ . 1 . 2]" 1
1294 1 95 THR H 1 95 THR HG1 . . 5.000 2.883 2.167 3.484 . 0 0 "[ . 1 . 2]" 1
1295 1 95 THR H 1 96 GLN H . . 3.400 2.921 2.779 3.161 . 0 0 "[ . 1 . 2]" 1
1296 1 95 THR HA 1 95 THR HB . . 2.800 2.617 2.387 2.734 . 0 0 "[ . 1 . 2]" 1
1297 1 95 THR HA 1 95 THR MG . . 3.500 2.303 2.146 2.504 . 0 0 "[ . 1 . 2]" 1
1298 1 95 THR HA 1 98 VAL H . . 4.000 3.704 3.269 3.993 . 0 0 "[ . 1 . 2]" 1
1299 1 95 THR HA 1 98 VAL MG1 . . 3.500 2.682 2.610 2.752 . 0 0 "[ . 1 . 2]" 1
1300 1 95 THR HA 1 98 VAL MG2 . . 6.000 4.881 4.551 5.079 . 0 0 "[ . 1 . 2]" 1
1301 1 95 THR HB 1 95 THR HG1 . . 2.800 2.296 2.112 2.805 0.005 20 0 "[ . 1 . 2]" 1
1302 1 95 THR HB 1 96 GLN H . . 5.000 3.482 3.043 3.846 . 0 0 "[ . 1 . 2]" 1
1303 1 95 THR HB 1 98 VAL MG1 . . 6.000 4.485 4.064 4.780 . 0 0 "[ . 1 . 2]" 1
1304 1 95 THR HB 1 99 TRP HE3 . . 4.500 2.962 2.525 3.789 . 0 0 "[ . 1 . 2]" 1
1305 1 95 THR HB 1 99 TRP HZ3 . . 4.400 3.139 2.463 4.452 0.052 1 0 "[ . 1 . 2]" 1
1306 1 95 THR HB 1 134 PRO HB3 . . 5.000 3.108 2.179 3.742 . 0 0 "[ . 1 . 2]" 1
1307 1 95 THR HB 1 134 PRO QG . . 5.880 4.017 2.423 4.946 . 0 0 "[ . 1 . 2]" 1
1308 1 95 THR MG 1 96 GLN H . . 6.000 4.081 3.730 4.327 . 0 0 "[ . 1 . 2]" 1
1309 1 95 THR MG 1 134 PRO HG2 . . 6.000 3.952 2.880 4.740 . 0 0 "[ . 1 . 2]" 1
1310 1 95 THR MG 1 134 PRO HG3 . . 6.000 3.071 2.202 3.822 . 0 0 "[ . 1 . 2]" 1
1311 1 95 THR MG 1 134 PRO QG . . 5.840 2.961 2.136 3.670 . 0 0 "[ . 1 . 2]" 1
1312 1 95 THR MG 1 134 PRO QD . . 7.000 4.482 3.762 4.943 . 0 0 "[ . 1 . 2]" 1
1313 1 95 THR HG1 1 96 GLN H . . 3.900 2.779 1.958 3.903 0.003 6 0 "[ . 1 . 2]" 1
1314 1 95 THR HG1 1 128 ASN HD21 . . 5.000 3.789 2.557 4.912 . 0 0 "[ . 1 . 2]" 1
1315 1 95 THR HG1 1 128 ASN HD22 . . 5.000 2.550 1.815 3.890 . 0 0 "[ . 1 . 2]" 1
1316 1 95 THR HG1 1 128 ASN QD . . 4.310 2.503 1.798 3.749 . 0 0 "[ . 1 . 2]" 1
1317 1 96 GLN H 1 96 GLN HB2 . . 3.100 2.496 2.043 2.803 . 0 0 "[ . 1 . 2]" 1
1318 1 96 GLN H 1 96 GLN HB3 . . 3.100 2.627 2.333 3.184 0.084 6 0 "[ . 1 . 2]" 1
1319 1 96 GLN H 1 97 VAL H . . 3.200 2.516 2.262 2.720 . 0 0 "[ . 1 . 2]" 1
1320 1 96 GLN H 1 97 VAL MG2 . . 6.000 3.983 3.552 4.656 . 0 0 "[ . 1 . 2]" 1
1321 1 96 GLN H 1 98 VAL H . . 4.700 4.055 3.639 4.222 . 0 0 "[ . 1 . 2]" 1
1322 1 96 GLN H 1 128 ASN QD . . 5.470 2.963 2.173 4.160 . 0 0 "[ . 1 . 2]" 1
1323 1 96 GLN HA 1 96 GLN QE . . 5.070 2.693 2.045 3.480 . 0 0 "[ . 1 . 2]" 1
1324 1 96 GLN HA 1 99 TRP HB2 . . 3.100 2.210 2.044 2.392 . 0 0 "[ . 1 . 2]" 1
1325 1 96 GLN HA 1 99 TRP HB3 . . 4.400 3.487 2.975 3.707 . 0 0 "[ . 1 . 2]" 1
1326 1 96 GLN HA 1 99 TRP HE3 . . 5.000 3.363 2.755 3.826 . 0 0 "[ . 1 . 2]" 1
1327 1 96 GLN HB2 1 128 ASN HD21 . . 4.750 2.812 2.034 3.799 . 0 0 "[ . 1 . 2]" 1
1328 1 96 GLN HB2 1 128 ASN HD22 . . 4.750 2.876 2.018 4.050 . 0 0 "[ . 1 . 2]" 1
1329 1 96 GLN HB3 1 128 ASN HD21 . . 4.750 4.113 2.644 4.828 0.078 2 0 "[ . 1 . 2]" 1
1330 1 96 GLN HB3 1 128 ASN HD22 . . 4.750 4.009 3.065 4.812 0.062 17 0 "[ . 1 . 2]" 1
1331 1 96 GLN QB 1 128 ASN QD . . 3.950 2.265 1.976 3.127 . 0 0 "[ . 1 . 2]" 1
1332 1 96 GLN HG2 1 123 TYR QD . . 7.000 4.065 3.083 5.732 . 0 0 "[ . 1 . 2]" 1
1333 1 96 GLN HG3 1 123 TYR QD . . 7.000 3.889 3.313 5.260 . 0 0 "[ . 1 . 2]" 1
1334 1 96 GLN HE21 1 99 TRP HB2 . . 5.000 3.422 2.683 5.060 0.060 10 0 "[ . 1 . 2]" 1
1335 1 96 GLN HE21 1 99 TRP HB3 . . 5.000 3.318 2.394 5.041 0.041 10 0 "[ . 1 . 2]" 1
1336 1 96 GLN HE22 1 99 TRP HB2 . . 5.000 3.726 3.150 4.657 . 0 0 "[ . 1 . 2]" 1
1337 1 96 GLN HE22 1 99 TRP HB3 . . 5.000 3.307 2.703 4.159 . 0 0 "[ . 1 . 2]" 1
1338 1 96 GLN QE 1 99 TRP HB2 . . 4.820 3.077 2.587 4.289 . 0 0 "[ . 1 . 2]" 1
1339 1 96 GLN QE 1 102 SER QB . . 6.340 3.223 2.493 3.955 . 0 0 "[ . 1 . 2]" 1
1340 1 96 GLN QE 1 102 SER HG . . 5.070 3.623 2.398 4.489 . 0 0 "[ . 1 . 2]" 1
1341 1 96 GLN QE 1 127 GLY H . . 4.870 3.579 2.484 4.373 . 0 0 "[ . 1 . 2]" 1
1342 1 97 VAL H 1 97 VAL HB . . 2.900 2.462 2.291 2.634 . 0 0 "[ . 1 . 2]" 1
1343 1 97 VAL H 1 97 VAL MG2 . . 4.100 2.190 1.952 2.646 . 0 0 "[ . 1 . 2]" 1
1344 1 97 VAL H 1 98 VAL H . . 3.200 2.619 2.522 2.689 . 0 0 "[ . 1 . 2]" 1
1345 1 97 VAL H 1 98 VAL MG1 . . 6.000 4.915 4.891 4.935 . 0 0 "[ . 1 . 2]" 1
1346 1 97 VAL HA 1 97 VAL MG1 . . 3.400 2.500 2.293 2.626 . 0 0 "[ . 1 . 2]" 1
1347 1 97 VAL HA 1 123 TYR QD . . 7.000 4.863 4.217 5.618 . 0 0 "[ . 1 . 2]" 1
1348 1 97 VAL HA 1 123 TYR QE . . 7.000 2.908 2.297 4.349 . 0 0 "[ . 1 . 2]" 1
1349 1 97 VAL HA 1 123 TYR HH . . 5.000 2.891 2.214 3.841 . 0 0 "[ . 1 . 2]" 1
1350 1 97 VAL HB 1 98 VAL H . . 3.500 2.627 2.384 3.017 . 0 0 "[ . 1 . 2]" 1
1351 1 97 VAL HB 1 98 VAL MG2 . . 6.000 4.422 3.883 4.729 . 0 0 "[ . 1 . 2]" 1
1352 1 97 VAL MG1 1 98 VAL H . . 6.000 3.429 3.096 3.732 . 0 0 "[ . 1 . 2]" 1
1353 1 97 VAL MG1 1 98 VAL HA . . 6.000 3.498 3.098 3.910 . 0 0 "[ . 1 . 2]" 1
1354 1 97 VAL MG2 1 98 VAL H . . 6.000 3.869 3.682 4.090 . 0 0 "[ . 1 . 2]" 1
1355 1 97 VAL MG2 1 105 LEU QD . . 8.570 4.526 4.187 5.095 . 0 0 "[ . 1 . 2]" 1
1356 1 97 VAL MG2 1 123 TYR HH . . 4.800 2.807 2.324 3.733 . 0 0 "[ . 1 . 2]" 1
1357 1 98 VAL H 1 98 VAL HB . . 3.500 2.207 2.090 2.322 . 0 0 "[ . 1 . 2]" 1
1358 1 98 VAL H 1 98 VAL MG1 . . 3.800 2.982 2.934 3.036 . 0 0 "[ . 1 . 2]" 1
1359 1 98 VAL H 1 99 TRP H . . 3.400 2.554 2.373 2.771 . 0 0 "[ . 1 . 2]" 1
1360 1 98 VAL H 1 99 TRP HB2 . . 4.700 4.409 4.126 4.641 . 0 0 "[ . 1 . 2]" 1
1361 1 98 VAL HA 1 98 VAL HB . . 2.900 2.779 2.740 2.807 . 0 0 "[ . 1 . 2]" 1
1362 1 98 VAL HA 1 98 VAL MG2 . . 3.400 2.101 2.068 2.145 . 0 0 "[ . 1 . 2]" 1
1363 1 98 VAL HB 1 99 TRP H . . 4.200 3.939 3.617 4.253 0.053 17 0 "[ . 1 . 2]" 1
1364 1 98 VAL HB 1 135 TYR QD . . 7.000 4.900 4.171 5.933 . 0 0 "[ . 1 . 2]" 1
1365 1 98 VAL MG1 1 99 TRP H . . 6.000 3.029 2.539 3.530 . 0 0 "[ . 1 . 2]" 1
1366 1 98 VAL MG1 1 134 PRO HB2 . . 4.900 2.539 2.116 2.851 . 0 0 "[ . 1 . 2]" 1
1367 1 98 VAL MG1 1 134 PRO HB3 . . 6.000 3.631 2.897 4.209 . 0 0 "[ . 1 . 2]" 1
1368 1 98 VAL MG1 1 134 PRO HG2 . . 6.000 4.156 3.386 4.606 . 0 0 "[ . 1 . 2]" 1
1369 1 98 VAL MG1 1 134 PRO HG3 . . 6.000 4.716 4.152 5.029 . 0 0 "[ . 1 . 2]" 1
1370 1 98 VAL MG1 1 135 TYR QD . . 7.500 2.587 1.989 3.687 . 0 0 "[ . 1 . 2]" 1
1371 1 98 VAL MG1 1 135 TYR QE . . 7.000 3.772 3.100 4.445 . 0 0 "[ . 1 . 2]" 1
1372 1 98 VAL MG2 1 99 TRP H . . 6.000 4.388 4.211 4.550 . 0 0 "[ . 1 . 2]" 1
1373 1 98 VAL MG2 1 135 TYR QD . . 8.000 3.870 2.761 4.548 . 0 0 "[ . 1 . 2]" 1
1374 1 98 VAL MG2 1 135 TYR QE . . 8.000 4.878 3.606 5.644 . 0 0 "[ . 1 . 2]" 1
1375 1 99 TRP H 1 99 TRP HB2 . . 2.900 2.252 2.157 2.356 . 0 0 "[ . 1 . 2]" 1
1376 1 99 TRP H 1 99 TRP HB3 . . 3.100 2.859 2.615 3.088 . 0 0 "[ . 1 . 2]" 1
1377 1 99 TRP H 1 99 TRP HE3 . . 5.000 3.987 3.455 4.490 . 0 0 "[ . 1 . 2]" 1
1378 1 99 TRP HA 1 99 TRP HE3 . . 5.000 2.996 2.625 3.619 . 0 0 "[ . 1 . 2]" 1
1379 1 99 TRP HA 1 100 ARG H . . 3.100 2.200 2.108 2.350 . 0 0 "[ . 1 . 2]" 1
1380 1 99 TRP HA 1 134 PRO HA . . 3.400 2.489 2.141 2.994 . 0 0 "[ . 1 . 2]" 1
1381 1 99 TRP HA 1 134 PRO HB2 . . 3.800 3.693 3.354 3.864 0.064 8 0 "[ . 1 . 2]" 1
1382 1 99 TRP HA 1 134 PRO HB3 . . 3.800 3.747 3.382 3.876 0.076 16 0 "[ . 1 . 2]" 1
1383 1 99 TRP HB3 1 102 SER H . . 5.000 3.528 2.891 4.587 . 0 0 "[ . 1 . 2]" 1
1384 1 99 TRP HB3 1 102 SER HB2 . . 5.000 3.236 2.270 4.598 . 0 0 "[ . 1 . 2]" 1
1385 1 99 TRP HB3 1 102 SER HB3 . . 5.000 3.715 2.652 4.640 . 0 0 "[ . 1 . 2]" 1
1386 1 99 TRP HB3 1 128 ASN H . . 4.900 4.723 3.817 4.981 0.081 13 0 "[ . 1 . 2]" 1
1387 1 99 TRP HD1 1 101 ASN H . . 3.900 3.276 2.738 3.937 0.037 14 0 "[ . 1 . 2]" 1
1388 1 99 TRP HD1 1 101 ASN QB . . 4.600 2.773 2.222 3.565 . 0 0 "[ . 1 . 2]" 1
1389 1 99 TRP HD1 1 102 SER H . . 3.400 2.584 2.012 3.474 0.074 6 0 "[ . 1 . 2]" 1
1390 1 99 TRP HE3 1 128 ASN H . . 4.400 3.060 2.603 3.578 . 0 0 "[ . 1 . 2]" 1
1391 1 99 TRP HE3 1 134 PRO HA . . 4.600 2.864 2.425 4.070 . 0 0 "[ . 1 . 2]" 1
1392 1 99 TRP HE3 1 134 PRO HB2 . . 5.000 3.593 3.243 3.885 . 0 0 "[ . 1 . 2]" 1
1393 1 99 TRP HE3 1 134 PRO HB3 . . 3.800 2.433 2.166 3.105 . 0 0 "[ . 1 . 2]" 1
1394 1 99 TRP HE1 1 101 ASN H . . 5.000 4.075 3.505 4.634 . 0 0 "[ . 1 . 2]" 1
1395 1 99 TRP HE1 1 101 ASN QB . . 4.600 2.411 2.024 2.935 . 0 0 "[ . 1 . 2]" 1
1396 1 99 TRP HE1 1 101 ASN QD . . 5.870 4.314 2.939 5.227 . 0 0 "[ . 1 . 2]" 1
1397 1 99 TRP HE1 1 129 TRP HD1 . . 4.300 3.810 2.832 4.373 0.073 1 0 "[ . 1 . 2]" 1
1398 1 99 TRP HZ3 1 128 ASN H . . 4.800 3.487 2.994 4.158 . 0 0 "[ . 1 . 2]" 1
1399 1 99 TRP HZ3 1 128 ASN HA . . 3.700 2.757 2.488 3.345 . 0 0 "[ . 1 . 2]" 1
1400 1 99 TRP HZ3 1 134 PRO QG . . 5.880 3.557 2.821 4.015 . 0 0 "[ . 1 . 2]" 1
1401 1 99 TRP HZ3 1 134 PRO QD . . 6.000 3.357 2.277 4.664 . 0 0 "[ . 1 . 2]" 1
1402 1 99 TRP HZ2 1 129 TRP H . . 3.500 2.704 2.213 3.557 0.057 1 0 "[ . 1 . 2]" 1
1403 1 99 TRP HZ2 1 129 TRP HB3 . . 3.900 3.578 2.972 3.962 0.062 18 0 "[ . 1 . 2]" 1
1404 1 99 TRP HZ2 1 129 TRP HD1 . . 5.000 2.727 2.118 3.583 . 0 0 "[ . 1 . 2]" 1
1405 1 99 TRP HZ2 1 132 GLN QB . . 4.900 2.566 2.053 4.466 . 0 0 "[ . 1 . 2]" 1
1406 1 99 TRP HZ2 1 132 GLN QG . . 6.000 3.407 2.000 4.390 . 0 0 "[ . 1 . 2]" 1
1407 1 99 TRP HH2 1 128 ASN HA . . 5.000 3.338 2.694 4.788 . 0 0 "[ . 1 . 2]" 1
1408 1 99 TRP HH2 1 129 TRP H . . 4.200 3.183 2.942 3.548 . 0 0 "[ . 1 . 2]" 1
1409 1 99 TRP HH2 1 129 TRP HB3 . . 5.000 4.906 4.297 5.079 0.079 10 0 "[ . 1 . 2]" 1
1410 1 99 TRP HH2 1 132 GLN QB . . 4.900 3.898 2.531 4.484 . 0 0 "[ . 1 . 2]" 1
1411 1 100 ARG H 1 100 ARG HB2 . . 3.500 2.397 2.180 2.626 . 0 0 "[ . 1 . 2]" 1
1412 1 100 ARG H 1 100 ARG HB3 . . 3.800 2.569 2.359 2.808 . 0 0 "[ . 1 . 2]" 1
1413 1 100 ARG H 1 101 ASN H . . 3.900 3.001 2.801 3.212 . 0 0 "[ . 1 . 2]" 1
1414 1 100 ARG H 1 135 TYR HA . . 4.500 3.640 3.137 4.004 . 0 0 "[ . 1 . 2]" 1
1415 1 100 ARG HA 1 100 ARG HB2 . . 2.800 2.452 2.366 2.569 . 0 0 "[ . 1 . 2]" 1
1416 1 100 ARG HA 1 100 ARG HG2 . . 4.000 3.046 2.251 3.920 . 0 0 "[ . 1 . 2]" 1
1417 1 100 ARG HA 1 100 ARG HG3 . . 4.000 2.987 2.395 3.505 . 0 0 "[ . 1 . 2]" 1
1418 1 100 ARG HA 1 100 ARG QG . . 3.510 2.548 2.221 3.238 . 0 0 "[ . 1 . 2]" 1
1419 1 100 ARG HB2 1 101 ASN H . . 4.500 3.914 3.660 4.153 . 0 0 "[ . 1 . 2]" 1
1420 1 100 ARG HB2 1 135 TYR HA . . 3.100 2.664 2.175 3.150 0.050 20 0 "[ . 1 . 2]" 1
1421 1 100 ARG HB3 1 101 ASN H . . 3.100 2.649 2.272 3.157 0.057 12 0 "[ . 1 . 2]" 1
1422 1 100 ARG HB3 1 135 TYR HA . . 3.600 3.594 3.161 3.677 0.077 11 0 "[ . 1 . 2]" 1
1423 1 100 ARG QD 1 135 TYR HA . . 5.880 4.301 2.477 5.306 . 0 0 "[ . 1 . 2]" 1
1424 1 101 ASN H 1 102 SER H . . 3.600 3.006 2.683 3.448 . 0 0 "[ . 1 . 2]" 1
1425 1 101 ASN HA 1 103 VAL MG1 . . 6.000 3.949 3.223 4.825 . 0 0 "[ . 1 . 2]" 1
1426 1 101 ASN QB 1 129 TRP HD1 . . 5.700 5.016 4.660 5.202 . 0 0 "[ . 1 . 2]" 1
1427 1 102 SER H 1 102 SER HB2 . . 3.900 3.018 2.473 3.816 . 0 0 "[ . 1 . 2]" 1
1428 1 102 SER H 1 102 SER HB3 . . 3.900 3.299 2.667 3.963 0.063 20 0 "[ . 1 . 2]" 1
1429 1 102 SER H 1 102 SER QB . . 3.460 2.685 2.348 3.229 . 0 0 "[ . 1 . 2]" 1
1430 1 102 SER H 1 102 SER HG . . 5.000 3.599 2.027 4.712 . 0 0 "[ . 1 . 2]" 1
1431 1 102 SER H 1 103 VAL MG1 . . 6.000 4.047 2.777 4.590 . 0 0 "[ . 1 . 2]" 1
1432 1 102 SER HA 1 103 VAL H . . 2.700 2.205 2.093 2.289 . 0 0 "[ . 1 . 2]" 1
1433 1 102 SER HA 1 124 ASP H . . 5.000 4.186 3.659 4.936 . 0 0 "[ . 1 . 2]" 1
1434 1 102 SER HA 1 125 PRO HD2 . . 4.400 2.214 2.052 2.447 . 0 0 "[ . 1 . 2]" 1
1435 1 102 SER HA 1 125 PRO HD3 . . 4.400 3.863 3.675 4.135 . 0 0 "[ . 1 . 2]" 1
1436 1 102 SER HA 1 125 PRO QD . . 4.160 2.201 2.042 2.430 . 0 0 "[ . 1 . 2]" 1
1437 1 102 SER QB 1 123 TYR HB3 . . 5.880 2.518 2.075 4.015 . 0 0 "[ . 1 . 2]" 1
1438 1 102 SER QB 1 123 TYR QD . . 7.880 2.954 2.477 3.934 . 0 0 "[ . 1 . 2]" 1
1439 1 103 VAL H 1 103 VAL MG1 . . 4.700 2.910 2.533 3.330 . 0 0 "[ . 1 . 2]" 1
1440 1 103 VAL H 1 103 VAL MG2 . . 4.100 2.129 1.930 2.485 . 0 0 "[ . 1 . 2]" 1
1441 1 103 VAL H 1 104 ARG H . . 2.800 2.071 1.784 2.865 0.065 11 0 "[ . 1 . 2]" 1
1442 1 103 VAL H 1 125 PRO HD2 . . 4.700 2.676 2.184 3.263 . 0 0 "[ . 1 . 2]" 1
1443 1 103 VAL H 1 125 PRO HD3 . . 4.700 3.931 3.470 4.341 . 0 0 "[ . 1 . 2]" 1
1444 1 103 VAL H 1 125 PRO QD . . 4.090 2.628 2.164 3.160 . 0 0 "[ . 1 . 2]" 1
1445 1 103 VAL HA 1 103 VAL HB . . 3.000 2.465 2.419 2.508 . 0 0 "[ . 1 . 2]" 1
1446 1 103 VAL HA 1 103 VAL MG1 . . 3.500 2.288 2.229 2.361 . 0 0 "[ . 1 . 2]" 1
1447 1 103 VAL HA 1 104 ARG H . . 3.300 3.300 2.964 3.392 0.092 10 0 "[ . 1 . 2]" 1
1448 1 103 VAL MG1 1 104 ARG H . . 6.000 4.250 4.052 4.476 . 0 0 "[ . 1 . 2]" 1
1449 1 103 VAL MG2 1 104 ARG H . . 5.800 3.031 2.354 3.676 . 0 0 "[ . 1 . 2]" 1
1450 1 103 VAL MG2 1 104 ARG HA . . 6.000 4.097 3.753 4.390 . 0 0 "[ . 1 . 2]" 1
1451 1 103 VAL MG2 1 104 ARG QB . . 6.880 3.970 3.372 4.273 . 0 0 "[ . 1 . 2]" 1
1452 1 103 VAL MG2 1 104 ARG QG . . 5.400 2.727 1.995 3.856 . 0 0 "[ . 1 . 2]" 1
1453 1 103 VAL MG2 1 104 ARG QD . . 6.880 3.305 1.999 4.606 . 0 0 "[ . 1 . 2]" 1
1454 1 103 VAL MG2 1 125 PRO HD2 . . 4.700 2.939 2.269 3.705 . 0 0 "[ . 1 . 2]" 1
1455 1 103 VAL MG2 1 125 PRO HD3 . . 4.700 3.410 2.612 3.867 . 0 0 "[ . 1 . 2]" 1
1456 1 103 VAL MG2 1 125 PRO QD . . 4.520 2.759 2.140 3.289 . 0 0 "[ . 1 . 2]" 1
1457 1 104 ARG H 1 104 ARG QB . . 3.630 2.553 2.250 3.117 . 0 0 "[ . 1 . 2]" 1
1458 1 104 ARG H 1 124 ASP QB . . 6.000 4.269 3.628 5.057 . 0 0 "[ . 1 . 2]" 1
1459 1 104 ARG HA 1 104 ARG QG . . 3.800 2.687 2.321 3.364 . 0 0 "[ . 1 . 2]" 1
1460 1 104 ARG HA 1 105 LEU H . . 2.700 2.279 2.179 2.398 . 0 0 "[ . 1 . 2]" 1
1461 1 104 ARG HB2 1 124 ASP QB . . 6.000 2.510 2.027 4.636 . 0 0 "[ . 1 . 2]" 1
1462 1 104 ARG HB3 1 124 ASP QB . . 6.000 3.406 2.564 5.337 . 0 0 "[ . 1 . 2]" 1
1463 1 104 ARG QB 1 123 TYR QD . . 7.080 5.458 4.939 5.792 . 0 0 "[ . 1 . 2]" 1
1464 1 104 ARG QB 1 124 ASP H . . 5.880 2.442 2.192 3.954 . 0 0 "[ . 1 . 2]" 1
1465 1 104 ARG QB 1 124 ASP QB . . 5.320 2.436 1.972 4.217 . 0 0 "[ . 1 . 2]" 1
1466 1 104 ARG QG 1 124 ASP HA . . 6.000 4.985 4.147 5.285 . 0 0 "[ . 1 . 2]" 1
1467 1 104 ARG HE 1 124 ASP QB . . 6.000 3.506 2.031 5.372 . 0 0 "[ . 1 . 2]" 1
1468 1 105 LEU H 1 105 LEU HB3 . . 3.300 2.847 2.495 3.047 . 0 0 "[ . 1 . 2]" 1
1469 1 105 LEU H 1 105 LEU HG . . 5.000 4.651 4.299 5.059 0.059 6 0 "[ . 1 . 2]" 1
1470 1 105 LEU HA 1 106 GLY H . . 2.800 2.256 2.102 2.369 . 0 0 "[ . 1 . 2]" 1
1471 1 105 LEU HG 1 106 GLY H . . 3.800 3.482 2.450 3.902 0.102 6 0 "[ . 1 . 2]" 1
1472 1 105 LEU HG 1 123 TYR QD . . 7.000 4.557 2.328 5.733 . 0 0 "[ . 1 . 2]" 1
1473 1 105 LEU MD1 1 121 CYS HB2 . . 8.840 4.516 3.322 6.381 . 0 0 "[ . 1 . 2]" 1
1474 1 105 LEU MD1 1 121 CYS HB3 . . 8.840 3.696 2.079 5.866 . 0 0 "[ . 1 . 2]" 1
1475 1 105 LEU MD2 1 121 CYS HB2 . . 8.840 4.699 3.234 5.605 . 0 0 "[ . 1 . 2]" 1
1476 1 105 LEU MD2 1 121 CYS HB3 . . 8.840 3.941 2.115 5.715 . 0 0 "[ . 1 . 2]" 1
1477 1 105 LEU QD 1 106 GLY H . . 6.770 2.361 1.723 3.934 . 0 0 "[ . 1 . 2]" 1
1478 1 105 LEU QD 1 121 CYS HA . . 7.570 4.002 3.221 5.300 . 0 0 "[ . 1 . 2]" 1
1479 1 105 LEU QD 1 121 CYS QB . . 6.460 2.814 2.055 3.786 . 0 0 "[ . 1 . 2]" 1
1480 1 105 LEU QD 1 122 ASN H . . 7.570 3.741 2.906 5.083 . 0 0 "[ . 1 . 2]" 1
1481 1 105 LEU QD 1 123 TYR HA . . 7.570 3.511 2.810 4.266 . 0 0 "[ . 1 . 2]" 1
1482 1 105 LEU QD 1 123 TYR HB3 . . 6.870 4.316 3.830 4.937 . 0 0 "[ . 1 . 2]" 1
1483 1 105 LEU QD 1 123 TYR QD . . 9.570 2.940 2.645 3.531 . 0 0 "[ . 1 . 2]" 1
1484 1 105 LEU QD 1 123 TYR QE . . 9.570 2.536 2.279 2.985 . 0 0 "[ . 1 . 2]" 1
1485 1 105 LEU QD 1 123 TYR HH . . 7.070 2.865 2.386 3.259 . 0 0 "[ . 1 . 2]" 1
1486 1 106 GLY H 1 121 CYS QB . . 5.880 4.585 3.514 5.344 . 0 0 "[ . 1 . 2]" 1
1487 1 106 GLY H 1 122 ASN H . . 4.000 3.302 2.949 4.060 0.060 11 0 "[ . 1 . 2]" 1
1488 1 106 GLY HA2 1 107 CYS H . . 2.800 2.206 2.141 2.398 . 0 0 "[ . 1 . 2]" 1
1489 1 106 GLY HA3 1 107 CYS H . . 3.500 3.229 2.994 3.420 . 0 0 "[ . 1 . 2]" 1
1490 1 107 CYS H 1 107 CYS HB2 . . 3.500 2.627 2.338 2.839 . 0 0 "[ . 1 . 2]" 1
1491 1 107 CYS HA 1 108 GLY H . . 3.100 2.312 2.170 2.480 . 0 0 "[ . 1 . 2]" 1
1492 1 107 CYS HA 1 120 SER QB . . 6.000 4.700 4.052 5.177 . 0 0 "[ . 1 . 2]" 1
1493 1 107 CYS HA 1 121 CYS HA . . 2.400 2.069 2.003 2.158 . 0 0 "[ . 1 . 2]" 1
1494 1 107 CYS HA 1 122 ASN H . . 4.300 3.184 2.753 3.831 . 0 0 "[ . 1 . 2]" 1
1495 1 107 CYS HB3 1 108 GLY H . . 3.600 2.517 2.257 3.058 . 0 0 "[ . 1 . 2]" 1
1496 1 107 CYS HB3 1 119 ILE MG . . 6.000 3.292 2.815 3.908 . 0 0 "[ . 1 . 2]" 1
1497 1 107 CYS HB3 1 121 CYS HA . . 4.400 3.629 2.764 4.334 . 0 0 "[ . 1 . 2]" 1
1498 1 108 GLY H 1 109 ARG QB . . 6.000 4.773 4.164 5.284 . 0 0 "[ . 1 . 2]" 1
1499 1 108 GLY H 1 119 ILE MG . . 6.000 3.574 3.194 4.028 . 0 0 "[ . 1 . 2]" 1
1500 1 108 GLY H 1 119 ILE QG . . 5.480 4.825 4.499 4.981 . 0 0 "[ . 1 . 2]" 1
1501 1 108 GLY H 1 120 SER H . . 3.600 3.036 2.521 3.673 0.073 7 0 "[ . 1 . 2]" 1
1502 1 108 GLY H 1 121 CYS HA . . 4.400 3.452 2.942 3.804 . 0 0 "[ . 1 . 2]" 1
1503 1 108 GLY HA2 1 109 ARG H . . 3.000 2.516 2.154 3.107 0.107 16 0 "[ . 1 . 2]" 1
1504 1 108 GLY HA3 1 109 ARG H . . 3.300 2.689 1.917 3.358 0.058 15 0 "[ . 1 . 2]" 1
1505 1 109 ARG HA 1 109 ARG HG2 . . 3.300 3.018 2.361 3.405 0.105 17 0 "[ . 1 . 2]" 1
1506 1 109 ARG HA 1 109 ARG HG3 . . 3.300 2.646 2.155 3.358 0.058 9 0 "[ . 1 . 2]" 1
1507 1 109 ARG HA 1 110 ALA H . . 2.800 2.293 2.216 2.612 . 0 0 "[ . 1 . 2]" 1
1508 1 109 ARG HA 1 119 ILE HA . . 2.800 2.448 2.178 2.874 0.074 17 0 "[ . 1 . 2]" 1
1509 1 109 ARG HA 1 119 ILE MG . . 6.000 4.129 3.736 4.588 . 0 0 "[ . 1 . 2]" 1
1510 1 109 ARG HA 1 119 ILE HG12 . . 5.000 3.743 2.359 4.701 . 0 0 "[ . 1 . 2]" 1
1511 1 109 ARG HA 1 119 ILE HG13 . . 5.000 2.769 2.255 3.756 . 0 0 "[ . 1 . 2]" 1
1512 1 109 ARG HA 1 119 ILE QG . . 4.580 2.646 2.171 3.534 . 0 0 "[ . 1 . 2]" 1
1513 1 109 ARG HA 1 119 ILE MD . . 6.000 3.906 3.079 5.091 . 0 0 "[ . 1 . 2]" 1
1514 1 109 ARG HA 1 120 SER H . . 5.000 3.744 3.342 4.284 . 0 0 "[ . 1 . 2]" 1
1515 1 109 ARG QB 1 117 TRP HE3 . . 6.000 4.315 3.470 4.690 . 0 0 "[ . 1 . 2]" 1
1516 1 109 ARG QB 1 119 ILE MG . . 7.000 4.257 3.555 5.104 . 0 0 "[ . 1 . 2]" 1
1517 1 109 ARG QB 1 119 ILE MD . . 7.000 3.845 2.949 5.055 . 0 0 "[ . 1 . 2]" 1
1518 1 109 ARG HG2 1 117 TRP HE3 . . 5.000 2.664 2.229 4.786 . 0 0 "[ . 1 . 2]" 1
1519 1 109 ARG HG3 1 117 TRP HE3 . . 5.000 3.287 2.493 4.616 . 0 0 "[ . 1 . 2]" 1
1520 1 109 ARG QG 1 119 ILE MD . . 6.880 2.758 2.061 4.749 . 0 0 "[ . 1 . 2]" 1
1521 1 109 ARG HD2 1 119 ILE MD . . 5.600 3.417 2.520 4.556 . 0 0 "[ . 1 . 2]" 1
1522 1 109 ARG HD3 1 119 ILE MD . . 5.600 3.822 2.544 4.563 . 0 0 "[ . 1 . 2]" 1
1523 1 109 ARG QD 1 119 ILE MD . . 5.430 3.011 2.488 3.963 . 0 0 "[ . 1 . 2]" 1
1524 1 109 ARG HE 1 119 ILE MD . . 5.900 3.264 2.118 4.533 . 0 0 "[ . 1 . 2]" 1
1525 1 110 ALA H 1 118 PHE H . . 4.200 3.349 2.948 3.673 . 0 0 "[ . 1 . 2]" 1
1526 1 110 ALA H 1 119 ILE HA . . 5.000 3.701 3.499 4.169 . 0 0 "[ . 1 . 2]" 1
1527 1 110 ALA HA 1 111 ARG H . . 2.700 2.317 2.189 2.538 . 0 0 "[ . 1 . 2]" 1
1528 1 110 ALA HA 1 117 TRP HE3 . . 5.000 4.035 3.121 4.676 . 0 0 "[ . 1 . 2]" 1
1529 1 110 ALA HA 1 117 TRP HZ3 . . 4.300 3.308 2.218 4.364 0.064 12 0 "[ . 1 . 2]" 1
1530 1 110 ALA MB 1 118 PHE QB . . 6.880 2.824 2.257 3.428 . 0 0 "[ . 1 . 2]" 1
1531 1 110 ALA MB 1 118 PHE QD . . 8.000 3.522 2.803 4.347 . 0 0 "[ . 1 . 2]" 1
1532 1 110 ALA MB 1 118 PHE QE . . 8.000 5.110 4.391 5.691 . 0 0 "[ . 1 . 2]" 1
1533 1 111 ARG H 1 111 ARG HB2 . . 2.800 2.668 2.373 2.869 0.069 7 0 "[ . 1 . 2]" 1
1534 1 111 ARG H 1 111 ARG HB3 . . 3.300 2.709 2.322 2.963 . 0 0 "[ . 1 . 2]" 1
1535 1 111 ARG H 1 111 ARG HG2 . . 5.000 4.511 4.300 4.663 . 0 0 "[ . 1 . 2]" 1
1536 1 111 ARG H 1 111 ARG HG3 . . 5.000 4.534 4.246 4.673 . 0 0 "[ . 1 . 2]" 1
1537 1 111 ARG H 1 111 ARG QD . . 6.000 4.674 4.353 5.209 . 0 0 "[ . 1 . 2]" 1
1538 1 111 ARG H 1 117 TRP HZ3 . . 5.000 3.416 2.664 4.127 . 0 0 "[ . 1 . 2]" 1
1539 1 111 ARG HA 1 111 ARG HB2 . . 2.800 2.544 2.391 2.686 . 0 0 "[ . 1 . 2]" 1
1540 1 111 ARG HA 1 111 ARG HB3 . . 3.000 3.015 2.974 3.054 0.054 4 0 "[ . 1 . 2]" 1
1541 1 111 ARG HA 1 111 ARG HG2 . . 3.400 2.759 2.184 3.289 . 0 0 "[ . 1 . 2]" 1
1542 1 111 ARG HA 1 111 ARG HG3 . . 3.400 2.556 2.240 3.483 0.083 20 0 "[ . 1 . 2]" 1
1543 1 111 ARG HA 1 111 ARG QG . . 3.040 2.257 2.145 2.574 . 0 0 "[ . 1 . 2]" 1
1544 1 111 ARG HA 1 112 CYS H . . 2.700 2.231 2.115 2.487 . 0 0 "[ . 1 . 2]" 1
1545 1 111 ARG HA 1 117 TRP HA . . 2.800 2.280 2.075 2.575 . 0 0 "[ . 1 . 2]" 1
1546 1 111 ARG HA 1 117 TRP HE3 . . 5.000 3.172 2.874 3.631 . 0 0 "[ . 1 . 2]" 1
1547 1 111 ARG HA 1 118 PHE H . . 2.900 2.920 2.757 2.992 0.092 4 0 "[ . 1 . 2]" 1
1548 1 111 ARG HB3 1 117 TRP HE3 . . 5.000 5.012 4.830 5.077 0.077 18 0 "[ . 1 . 2]" 1
1549 1 111 ARG HB3 1 117 TRP HZ3 . . 5.000 4.558 4.182 5.034 0.034 19 0 "[ . 1 . 2]" 1
1550 1 111 ARG HG2 1 112 CYS H . . 5.000 3.127 2.273 4.397 . 0 0 "[ . 1 . 2]" 1
1551 1 111 ARG HG3 1 112 CYS H . . 5.000 3.634 2.455 5.059 0.059 4 0 "[ . 1 . 2]" 1
1552 1 111 ARG QD 1 117 TRP HD1 . . 6.000 4.916 3.499 5.442 . 0 0 "[ . 1 . 2]" 1
1553 1 111 ARG QD 1 117 TRP HZ2 . . 6.000 3.627 2.948 4.916 . 0 0 "[ . 1 . 2]" 1
1554 1 111 ARG QD 1 117 TRP HH2 . . 6.000 4.317 3.384 5.463 . 0 0 "[ . 1 . 2]" 1
1555 1 112 CYS H 1 112 CYS HB2 . . 3.000 2.658 2.498 2.902 . 0 0 "[ . 1 . 2]" 1
1556 1 112 CYS H 1 117 TRP HA . . 4.600 3.282 2.288 3.945 . 0 0 "[ . 1 . 2]" 1
1557 1 112 CYS HB2 1 115 GLY H . . 4.200 2.767 2.014 4.230 0.030 1 0 "[ . 1 . 2]" 1
1558 1 112 CYS HB2 1 116 TRP H . . 4.000 2.978 2.589 3.431 . 0 0 "[ . 1 . 2]" 1
1559 1 112 CYS HB3 1 113 ASN H . . 4.000 2.523 2.050 3.270 . 0 0 "[ . 1 . 2]" 1
1560 1 112 CYS HB3 1 114 ASN H . . 3.800 3.154 2.245 3.878 0.078 20 0 "[ . 1 . 2]" 1
1561 1 112 CYS HB3 1 116 TRP H . . 4.500 4.432 4.063 4.574 0.074 1 0 "[ . 1 . 2]" 1
1562 1 113 ASN H 1 114 ASN H . . 3.900 2.957 2.667 3.528 . 0 0 "[ . 1 . 2]" 1
1563 1 113 ASN HA 1 115 GLY H . . 5.000 4.123 3.217 5.075 0.075 5 0 "[ . 1 . 2]" 1
1564 1 114 ASN H 1 115 GLY H . . 3.700 2.567 1.767 2.914 . 0 0 "[ . 1 . 2]" 1
1565 1 114 ASN HA 1 114 ASN HB2 . . 2.700 2.339 2.230 2.620 . 0 0 "[ . 1 . 2]" 1
1566 1 114 ASN HA 1 114 ASN HB3 . . 2.700 2.523 2.347 2.689 . 0 0 "[ . 1 . 2]" 1
1567 1 114 ASN QB 1 116 TRP HE3 . . 5.880 5.189 4.999 5.362 . 0 0 "[ . 1 . 2]" 1
1568 1 115 GLY H 1 116 TRP H . . 3.500 2.651 2.006 3.249 . 0 0 "[ . 1 . 2]" 1
1569 1 116 TRP H 1 116 TRP HB2 . . 3.100 2.806 2.282 3.192 0.092 12 0 "[ . 1 . 2]" 1
1570 1 116 TRP H 1 116 TRP HB3 . . 3.900 3.712 3.506 3.959 0.059 20 0 "[ . 1 . 2]" 1
1571 1 116 TRP H 1 116 TRP HD1 . . 4.100 3.695 2.830 4.180 0.080 5 0 "[ . 1 . 2]" 1
1572 1 116 TRP HA 1 116 TRP HD1 . . 5.000 2.683 2.186 4.846 . 0 0 "[ . 1 . 2]" 1
1573 1 116 TRP HB2 1 117 TRP H . . 4.500 3.104 2.188 4.189 . 0 0 "[ . 1 . 2]" 1
1574 1 116 TRP HB3 1 117 TRP H . . 3.500 2.386 1.808 3.354 . 0 0 "[ . 1 . 2]" 1
1575 1 117 TRP H 1 117 TRP HB2 . . 3.800 2.390 2.176 2.801 . 0 0 "[ . 1 . 2]" 1
1576 1 117 TRP HA 1 117 TRP HE3 . . 4.500 2.757 2.278 3.847 . 0 0 "[ . 1 . 2]" 1
1577 1 117 TRP HA 1 118 PHE H . . 2.800 2.142 2.033 2.362 . 0 0 "[ . 1 . 2]" 1
1578 1 117 TRP HB2 1 119 ILE MD . . 6.000 3.844 3.220 4.508 . 0 0 "[ . 1 . 2]" 1
1579 1 117 TRP HB3 1 118 PHE H . . 4.800 3.483 2.344 4.008 . 0 0 "[ . 1 . 2]" 1
1580 1 117 TRP HB3 1 119 ILE MD . . 5.800 3.060 2.418 3.704 . 0 0 "[ . 1 . 2]" 1
1581 1 117 TRP HE3 1 118 PHE H . . 5.000 3.401 2.551 3.823 . 0 0 "[ . 1 . 2]" 1
1582 1 117 TRP HE3 1 119 ILE QG . . 5.880 4.691 3.940 5.221 . 0 0 "[ . 1 . 2]" 1
1583 1 118 PHE H 1 118 PHE QB . . 3.800 2.309 2.188 2.549 . 0 0 "[ . 1 . 2]" 1
1584 1 118 PHE HA 1 119 ILE H . . 2.700 2.194 2.111 2.294 . 0 0 "[ . 1 . 2]" 1
1585 1 118 PHE QE 1 120 SER QB . . 8.000 3.267 2.287 4.720 . 0 0 "[ . 1 . 2]" 1
1586 1 119 ILE H 1 119 ILE HB . . 3.300 2.512 2.225 2.859 . 0 0 "[ . 1 . 2]" 1
1587 1 119 ILE HA 1 119 ILE HG12 . . 4.100 3.052 2.328 3.648 . 0 0 "[ . 1 . 2]" 1
1588 1 119 ILE HA 1 119 ILE HG13 . . 4.100 2.335 2.221 2.597 . 0 0 "[ . 1 . 2]" 1
1589 1 119 ILE HA 1 119 ILE QG . . 3.530 2.226 2.150 2.400 . 0 0 "[ . 1 . 2]" 1
1590 1 119 ILE HA 1 120 SER H . . 2.700 2.150 2.072 2.218 . 0 0 "[ . 1 . 2]" 1
1591 1 119 ILE HB 1 119 ILE MD . . 3.600 2.256 2.150 2.350 . 0 0 "[ . 1 . 2]" 1
1592 1 119 ILE MG 1 120 SER H . . 4.500 2.739 2.372 3.478 . 0 0 "[ . 1 . 2]" 1
1593 1 119 ILE MG 1 120 SER HA . . 6.000 3.491 3.259 3.988 . 0 0 "[ . 1 . 2]" 1
1594 1 119 ILE MG 1 121 CYS H . . 6.000 4.147 3.772 4.900 . 0 0 "[ . 1 . 2]" 1
1595 1 120 SER HA 1 121 CYS H . . 2.800 2.313 2.233 2.457 . 0 0 "[ . 1 . 2]" 1
1596 1 121 CYS HA 1 122 ASN H . . 2.800 2.145 2.088 2.335 . 0 0 "[ . 1 . 2]" 1
1597 1 121 CYS QB 1 122 ASN H . . 5.080 3.433 2.467 3.822 . 0 0 "[ . 1 . 2]" 1
1598 1 122 ASN H 1 122 ASN HB2 . . 4.100 2.550 2.214 2.977 . 0 0 "[ . 1 . 2]" 1
1599 1 122 ASN HA 1 122 ASN HD22 . . 5.000 3.881 3.499 4.439 . 0 0 "[ . 1 . 2]" 1
1600 1 122 ASN HA 1 123 TYR H . . 2.800 2.305 2.171 2.430 . 0 0 "[ . 1 . 2]" 1
1601 1 122 ASN HA 1 123 TYR QD . . 6.200 2.754 2.353 3.555 . 0 0 "[ . 1 . 2]" 1
1602 1 122 ASN HB3 1 123 TYR H . . 3.500 3.214 2.686 3.578 0.078 12 0 "[ . 1 . 2]" 1
1603 1 123 TYR H 1 123 TYR HB2 . . 3.400 2.666 2.474 3.017 . 0 0 "[ . 1 . 2]" 1
1604 1 123 TYR HA 1 124 ASP H . . 2.900 2.331 2.211 2.463 . 0 0 "[ . 1 . 2]" 1
1605 1 123 TYR HB2 1 126 VAL HA . . 4.600 4.005 3.163 4.647 0.047 1 0 "[ . 1 . 2]" 1
1606 1 124 ASP HA 1 125 PRO HA . . 3.100 2.342 2.187 2.710 . 0 0 "[ . 1 . 2]" 1
1607 1 124 ASP HA 1 126 VAL H . . 4.300 3.634 3.003 3.952 . 0 0 "[ . 1 . 2]" 1
1608 1 124 ASP QB 1 125 PRO HA . . 6.000 3.489 2.229 3.822 . 0 0 "[ . 1 . 2]" 1
1609 1 125 PRO HA 1 126 VAL H . . 2.900 2.474 2.212 2.607 . 0 0 "[ . 1 . 2]" 1
1610 1 125 PRO QB 1 126 VAL H . . 4.170 2.462 2.090 3.052 . 0 0 "[ . 1 . 2]" 1
1611 1 125 PRO QG 1 126 VAL H . . 5.100 4.082 3.694 4.577 . 0 0 "[ . 1 . 2]" 1
1612 1 126 VAL H 1 126 VAL HB . . 3.700 3.618 3.561 3.674 . 0 0 "[ . 1 . 2]" 1
1613 1 126 VAL H 1 126 VAL MG1 . . 3.800 2.060 1.960 2.195 . 0 0 "[ . 1 . 2]" 1
1614 1 126 VAL H 1 126 VAL MG2 . . 3.800 2.324 2.081 2.985 . 0 0 "[ . 1 . 2]" 1
1615 1 126 VAL HA 1 126 VAL HB . . 2.800 2.394 2.224 2.467 . 0 0 "[ . 1 . 2]" 1
1616 1 126 VAL HA 1 126 VAL MG1 . . 3.400 2.370 2.282 2.640 . 0 0 "[ . 1 . 2]" 1
1617 1 126 VAL HA 1 127 GLY H . . 2.700 2.291 1.988 2.548 . 0 0 "[ . 1 . 2]" 1
1618 1 126 VAL HB 1 127 GLY H . . 3.000 2.691 2.194 3.073 0.073 17 0 "[ . 1 . 2]" 1
1619 1 126 VAL MG1 1 127 GLY H . . 5.900 3.830 3.670 4.105 . 0 0 "[ . 1 . 2]" 1
1620 1 126 VAL MG2 1 127 GLY H . . 5.900 3.561 2.765 4.041 . 0 0 "[ . 1 . 2]" 1
1621 1 126 VAL MG2 1 129 TRP HE1 . . 5.100 3.877 3.246 4.297 . 0 0 "[ . 1 . 2]" 1
1622 1 126 VAL MG2 1 129 TRP HZ3 . . 6.000 4.352 3.505 5.119 . 0 0 "[ . 1 . 2]" 1
1623 1 126 VAL MG2 1 129 TRP HZ2 . . 5.300 4.481 4.120 4.547 . 0 0 "[ . 1 . 2]" 1
1624 1 127 GLY H 1 128 ASN H . . 4.600 4.407 4.213 4.590 . 0 0 "[ . 1 . 2]" 1
1625 1 127 GLY HA2 1 128 ASN H . . 3.400 2.358 2.203 2.553 . 0 0 "[ . 1 . 2]" 1
1626 1 127 GLY HA3 1 128 ASN H . . 3.400 2.726 2.467 3.082 . 0 0 "[ . 1 . 2]" 1
1627 1 127 GLY QA 1 128 ASN H . . 3.180 2.206 2.139 2.272 . 0 0 "[ . 1 . 2]" 1
1628 1 127 GLY QA 1 129 TRP HD1 . . 5.880 4.200 2.539 5.086 . 0 0 "[ . 1 . 2]" 1
1629 1 128 ASN H 1 128 ASN HA . . 2.500 2.265 2.185 2.345 . 0 0 "[ . 1 . 2]" 1
1630 1 128 ASN H 1 129 TRP H . . 3.300 2.560 2.057 2.872 . 0 0 "[ . 1 . 2]" 1
1631 1 128 ASN HA 1 129 TRP H . . 3.000 2.919 2.697 3.084 0.084 11 0 "[ . 1 . 2]" 1
1632 1 129 TRP H 1 129 TRP HB2 . . 3.500 3.311 3.135 3.525 0.025 18 0 "[ . 1 . 2]" 1
1633 1 129 TRP H 1 129 TRP HB3 . . 2.900 2.130 1.980 2.291 . 0 0 "[ . 1 . 2]" 1
1634 1 129 TRP H 1 129 TRP HD1 . . 3.500 3.488 3.101 3.583 0.083 12 0 "[ . 1 . 2]" 1
1635 1 129 TRP HA 1 129 TRP HB2 . . 2.800 2.242 2.163 2.297 . 0 0 "[ . 1 . 2]" 1
1636 1 129 TRP HA 1 129 TRP HE3 . . 3.900 3.694 3.230 3.950 0.050 15 0 "[ . 1 . 2]" 1
1637 1 129 TRP HA 1 130 ILE H . . 2.800 2.427 2.220 2.873 0.073 7 0 "[ . 1 . 2]" 1
1638 1 129 TRP HB2 1 130 ILE H . . 4.500 3.634 3.249 4.053 . 0 0 "[ . 1 . 2]" 1
1639 1 129 TRP HB2 1 132 GLN QE . . 5.870 5.203 4.782 5.351 . 0 0 "[ . 1 . 2]" 1
1640 1 130 ILE H 1 130 ILE HB . . 3.100 2.176 2.047 2.390 . 0 0 "[ . 1 . 2]" 1
1641 1 130 ILE H 1 130 ILE HG12 . . 4.700 4.376 3.354 4.656 . 0 0 "[ . 1 . 2]" 1
1642 1 130 ILE H 1 130 ILE HG13 . . 4.700 4.073 3.704 4.447 . 0 0 "[ . 1 . 2]" 1
1643 1 130 ILE H 1 130 ILE QG . . 4.280 3.697 3.210 3.959 . 0 0 "[ . 1 . 2]" 1
1644 1 130 ILE HA 1 130 ILE HB . . 2.800 2.768 2.684 2.857 0.057 1 0 "[ . 1 . 2]" 1
1645 1 130 ILE HA 1 130 ILE QG . . 3.850 2.212 2.085 2.443 . 0 0 "[ . 1 . 2]" 1
1646 1 130 ILE HA 1 131 GLY H . . 2.700 2.362 2.033 2.732 0.032 6 0 "[ . 1 . 2]" 1
1647 1 130 ILE HA 1 132 GLN H . . 4.000 3.889 3.547 4.105 0.105 7 0 "[ . 1 . 2]" 1
1648 1 130 ILE HB 1 130 ILE QG . . 2.690 2.301 2.118 2.415 . 0 0 "[ . 1 . 2]" 1
1649 1 130 ILE HB 1 131 GLY H . . 4.300 4.181 3.798 4.379 0.079 12 0 "[ . 1 . 2]" 1
1650 1 130 ILE MG 1 131 GLY H . . 5.300 2.774 2.075 3.458 . 0 0 "[ . 1 . 2]" 1
1651 1 130 ILE MG 1 131 GLY QA . . 6.880 3.043 2.683 3.769 . 0 0 "[ . 1 . 2]" 1
1652 1 131 GLY H 1 132 GLN H . . 3.800 3.044 2.307 3.691 . 0 0 "[ . 1 . 2]" 1
1653 1 133 ARG HA 1 133 ARG HG2 . . 3.600 2.777 2.272 3.598 . 0 0 "[ . 1 . 2]" 1
1654 1 133 ARG HA 1 133 ARG HG3 . . 3.600 2.813 2.236 3.657 0.057 4 0 "[ . 1 . 2]" 1
1655 1 133 ARG HA 1 133 ARG QG . . 3.290 2.364 2.112 2.868 . 0 0 "[ . 1 . 2]" 1
1656 1 133 ARG HA 1 134 PRO QD . . 3.800 2.107 2.039 2.357 . 0 0 "[ . 1 . 2]" 1
1657 1 133 ARG QB 1 134 PRO QD . . 6.500 2.893 2.103 3.651 . 0 0 "[ . 1 . 2]" 1
1658 1 133 ARG QB 1 135 TYR H . . 4.500 3.254 2.431 4.086 . 0 0 "[ . 1 . 2]" 1
1659 1 134 PRO HB2 1 135 TYR QD . . 6.200 2.712 2.082 3.908 . 0 0 "[ . 1 . 2]" 1
1660 1 134 PRO HB2 1 135 TYR QE . . 7.000 3.954 3.132 5.016 . 0 0 "[ . 1 . 2]" 1
1661 1 134 PRO HB3 1 135 TYR QD . . 7.000 4.259 3.701 5.146 . 0 0 "[ . 1 . 2]" 1
1662 1 134 PRO HG2 1 135 TYR H . . 5.000 2.404 2.082 3.149 . 0 0 "[ . 1 . 2]" 1
1663 1 134 PRO HG2 1 135 TYR QD . . 7.000 2.553 2.199 3.292 . 0 0 "[ . 1 . 2]" 1
1664 1 134 PRO HG2 1 135 TYR QE . . 7.000 3.180 2.457 3.820 . 0 0 "[ . 1 . 2]" 1
1665 1 134 PRO HG3 1 135 TYR H . . 5.000 3.923 3.692 4.489 . 0 0 "[ . 1 . 2]" 1
1666 1 134 PRO HG3 1 135 TYR QD . . 7.000 3.942 3.490 4.344 . 0 0 "[ . 1 . 2]" 1
1667 1 134 PRO HG3 1 135 TYR QE . . 7.000 4.003 3.286 4.650 . 0 0 "[ . 1 . 2]" 1
1668 1 134 PRO QG 1 135 TYR H . . 4.310 2.381 2.071 3.068 . 0 0 "[ . 1 . 2]" 1
1669 1 134 PRO QD 1 135 TYR H . . 5.600 2.615 2.214 3.130 . 0 0 "[ . 1 . 2]" 1
1670 1 135 TYR HA 1 135 TYR HB2 . . 2.700 2.462 2.354 2.580 . 0 0 "[ . 1 . 2]" 1
1671 1 135 TYR HA 1 135 TYR HB3 . . 2.700 2.408 2.266 2.515 . 0 0 "[ . 1 . 2]" 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 9
_Distance_constraint_stats_list.Viol_count 46
_Distance_constraint_stats_list.Viol_total 28.605
_Distance_constraint_stats_list.Viol_max 0.106
_Distance_constraint_stats_list.Viol_rms 0.0175
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0079
_Distance_constraint_stats_list.Viol_average_violations_only 0.0311
_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 44 CYS 0.483 0.078 7 0 "[ . 1 . 2]"
1 85 CYS 0.233 0.065 6 0 "[ . 1 . 2]"
1 91 CYS 0.233 0.065 6 0 "[ . 1 . 2]"
1 107 CYS 0.714 0.106 5 0 "[ . 1 . 2]"
1 112 CYS 0.483 0.078 7 0 "[ . 1 . 2]"
1 121 CYS 0.714 0.106 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 44 CYS CB 1 112 CYS SG . 3.000 3.100 3.052 2.936 3.119 0.064 7 0 "[ . 1 . 2]" 2
2 1 44 CYS SG 1 112 CYS CB . 3.000 3.100 3.022 2.951 3.178 0.078 7 0 "[ . 1 . 2]" 2
3 1 44 CYS SG 1 112 CYS SG . . 2.100 2.083 2.061 2.101 0.001 14 0 "[ . 1 . 2]" 2
4 1 85 CYS CB 1 91 CYS SG . 3.000 3.100 3.065 2.991 3.165 0.065 6 0 "[ . 1 . 2]" 2
5 1 85 CYS SG 1 91 CYS CB . 3.000 3.100 3.052 2.997 3.149 0.049 4 0 "[ . 1 . 2]" 2
6 1 85 CYS SG 1 91 CYS SG . . 2.100 2.082 2.063 2.092 . 0 0 "[ . 1 . 2]" 2
7 1 107 CYS CB 1 121 CYS SG . 3.000 3.100 3.113 3.026 3.206 0.106 5 0 "[ . 1 . 2]" 2
8 1 107 CYS SG 1 121 CYS CB . 3.000 3.100 3.076 2.969 3.176 0.076 17 0 "[ . 1 . 2]" 2
9 1 107 CYS SG 1 121 CYS SG . . 2.100 2.083 2.065 2.096 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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