NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
306551 |
1p8a   |
5850 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1p8a
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 696
_Distance_constraint_stats_list.Viol_count 258
_Distance_constraint_stats_list.Viol_total 313.201
_Distance_constraint_stats_list.Viol_max 1.483
_Distance_constraint_stats_list.Viol_rms 0.0205
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0578
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 2 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 3 GLU 0.150 0.094 19 0 "[ . 1 . 2 ]"
1 4 LYS 0.268 0.094 19 0 "[ . 1 . 2 ]"
1 5 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 6 ALA 0.006 0.006 19 0 "[ . 1 . 2 ]"
1 7 VAL 0.009 0.009 3 0 "[ . 1 . 2 ]"
1 8 LEU 0.050 0.022 5 0 "[ . 1 . 2 ]"
1 9 PHE 0.005 0.005 4 0 "[ . 1 . 2 ]"
1 10 VAL 0.343 0.054 10 0 "[ . 1 . 2 ]"
1 11 CYS 0.343 0.054 10 0 "[ . 1 . 2 ]"
1 12 LEU 0.065 0.040 5 0 "[ . 1 . 2 ]"
1 13 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 14 ASN 0.065 0.040 5 0 "[ . 1 . 2 ]"
1 15 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 17 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 19 PRO 0.042 0.016 16 0 "[ . 1 . 2 ]"
1 20 ALA 0.006 0.006 10 0 "[ . 1 . 2 ]"
1 21 CYS 0.006 0.006 10 0 "[ . 1 . 2 ]"
1 22 GLU 0.042 0.016 16 0 "[ . 1 . 2 ]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 24 ILE 0.687 0.100 9 0 "[ . 1 . 2 ]"
1 25 CYS 0.687 0.100 9 0 "[ . 1 . 2 ]"
1 26 ARG 4.214 1.483 8 3 "[ . + 1 .* 2-]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 28 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 VAL 0.010 0.008 12 0 "[ . 1 . 2 ]"
1 30 GLY 0.017 0.009 10 0 "[ . 1 . 2 ]"
1 31 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 32 LYS 0.481 0.075 9 0 "[ . 1 . 2 ]"
1 33 LEU 1.524 0.112 21 0 "[ . 1 . 2 ]"
1 34 ILE 1.643 0.131 8 0 "[ . 1 . 2 ]"
1 35 ILE 4.735 1.483 8 3 "[ . + 1 .* 2-]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 39 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 40 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 43 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 44 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 45 VAL 0.400 0.098 20 0 "[ . 1 . 2 ]"
1 46 GLY 0.026 0.026 8 0 "[ . 1 . 2 ]"
1 47 GLN 0.001 0.001 21 0 "[ . 1 . 2 ]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 49 PRO 0.071 0.018 7 0 "[ . 1 . 2 ]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 51 THR 2.556 0.151 17 0 "[ . 1 . 2 ]"
1 52 ARG 2.626 0.151 17 0 "[ . 1 . 2 ]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 56 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 59 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 62 VAL 0.072 0.034 8 0 "[ . 1 . 2 ]"
1 63 ASP 0.072 0.034 8 0 "[ . 1 . 2 ]"
1 64 ILE 0.022 0.022 17 0 "[ . 1 . 2 ]"
1 65 SER 0.022 0.022 17 0 "[ . 1 . 2 ]"
1 66 LYS 0.033 0.010 10 0 "[ . 1 . 2 ]"
1 67 GLN 0.073 0.026 16 0 "[ . 1 . 2 ]"
1 68 ARG 0.039 0.026 16 0 "[ . 1 . 2 ]"
1 69 ALA 0.001 0.001 21 0 "[ . 1 . 2 ]"
1 70 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 72 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 73 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 74 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 76 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 77 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 78 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 79 LYS 0.232 0.138 10 0 "[ . 1 . 2 ]"
1 80 PHE 0.252 0.138 10 0 "[ . 1 . 2 ]"
1 81 ASP 0.022 0.007 2 0 "[ . 1 . 2 ]"
1 82 VAL 0.001 0.001 11 0 "[ . 1 . 2 ]"
1 83 ILE 0.050 0.022 5 0 "[ . 1 . 2 ]"
1 84 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 85 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 86 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 87 ASP 0.011 0.005 5 0 "[ . 1 . 2 ]"
1 88 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 89 SER 0.000 0.000 12 0 "[ . 1 . 2 ]"
1 90 ILE 0.000 0.000 12 0 "[ . 1 . 2 ]"
1 91 LEU 0.011 0.005 5 0 "[ . 1 . 2 ]"
1 92 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 93 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 94 ILE 0.351 0.064 12 0 "[ . 1 . 2 ]"
1 95 ASN 0.268 0.053 9 0 "[ . 1 . 2 ]"
1 96 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 97 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 98 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 99 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 100 SER 0.188 0.076 3 0 "[ . 1 . 2 ]"
1 101 ASN 0.204 0.076 3 0 "[ . 1 . 2 ]"
1 102 CYS 0.072 0.036 12 0 "[ . 1 . 2 ]"
1 103 ARG 0.056 0.036 12 0 "[ . 1 . 2 ]"
1 104 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 105 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 106 VAL 0.016 0.016 4 0 "[ . 1 . 2 ]"
1 107 VAL 0.200 0.051 12 0 "[ . 1 . 2 ]"
1 108 LEU 0.187 0.051 12 0 "[ . 1 . 2 ]"
1 109 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 110 ASN 0.093 0.070 11 0 "[ . 1 . 2 ]"
1 111 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 113 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 114 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 115 VAL 0.350 0.121 7 0 "[ . 1 . 2 ]"
1 116 ASP 0.003 0.003 5 0 "[ . 1 . 2 ]"
1 117 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 119 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 120 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 121 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 122 SER 0.002 0.002 16 0 "[ . 1 . 2 ]"
1 123 ASP 0.002 0.002 16 0 "[ . 1 . 2 ]"
1 124 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 125 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 126 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 127 THR 0.003 0.003 3 0 "[ . 1 . 2 ]"
1 128 MET 0.003 0.003 3 0 "[ . 1 . 2 ]"
1 129 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 130 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 131 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 132 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 133 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 134 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 135 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 136 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 137 LYS 1.973 0.158 17 0 "[ . 1 . 2 ]"
1 138 PRO 1.973 0.158 17 0 "[ . 1 . 2 ]"
1 139 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 140 LEU 0.033 0.019 3 0 "[ . 1 . 2 ]"
1 141 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 142 GLU 0.176 0.039 14 0 "[ . 1 . 2 ]"
1 143 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 144 GLY 0.260 0.073 17 0 "[ . 1 . 2 ]"
1 145 LEU 0.405 0.073 17 0 "[ . 1 . 2 ]"
1 146 ILE 0.061 0.021 10 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 ALA HA 1 2 ALA H 3.400 . 4.600 2.698 2.212 3.590 . 0 0 "[ . 1 . 2 ]" 1
2 1 2 ALA HA 1 3 GLU H 3.500 . 5.000 2.650 2.212 3.590 . 0 0 "[ . 1 . 2 ]" 1
3 1 3 GLU H 1 3 GLU QG 3.500 . 4.600 2.971 1.803 4.099 . 0 0 "[ . 1 . 2 ]" 1
4 1 3 GLU HA 1 4 LYS H 3.400 . 4.200 2.472 2.236 2.971 . 0 0 "[ . 1 . 2 ]" 1
5 1 3 GLU QB 1 4 LYS H 2.900 . 4.000 2.782 1.745 3.360 0.055 5 0 "[ . 1 . 2 ]" 1
6 1 3 GLU QG 1 4 LYS H 4.200 . 6.600 3.323 1.706 4.594 0.094 19 0 "[ . 1 . 2 ]" 1
7 1 4 LYS H 1 4 LYS QB 2.800 . 3.800 2.279 1.918 3.264 . 0 0 "[ . 1 . 2 ]" 1
8 1 4 LYS H 1 4 LYS QD 4.400 . 5.200 2.442 1.774 3.315 0.026 2 0 "[ . 1 . 2 ]" 1
9 1 4 LYS H 1 4 LYS QE 4.500 . 5.800 3.713 1.844 5.042 . 0 0 "[ . 1 . 2 ]" 1
10 1 4 LYS HA 1 5 LYS H 3.800 . 5.600 2.764 2.273 3.585 . 0 0 "[ . 1 . 2 ]" 1
11 1 4 LYS QB 1 5 LYS H 2.800 . 3.400 2.621 1.821 3.123 . 0 0 "[ . 1 . 2 ]" 1
12 1 4 LYS QE 1 5 LYS H 4.500 . 7.200 4.620 2.899 6.131 . 0 0 "[ . 1 . 2 ]" 1
13 1 5 LYS H 1 6 ALA H 3.800 . 5.800 4.354 3.895 4.705 . 0 0 "[ . 1 . 2 ]" 1
14 1 5 LYS HA 1 6 ALA H 4.000 . 4.400 2.785 2.289 3.158 . 0 0 "[ . 1 . 2 ]" 1
15 1 5 LYS QG 1 6 ALA H 3.000 . 4.200 3.706 2.755 3.913 . 0 0 "[ . 1 . 2 ]" 1
16 1 6 ALA H 1 7 VAL H 3.900 . 6.000 4.188 3.466 4.541 . 0 0 "[ . 1 . 2 ]" 1
17 1 6 ALA H 1 81 ASP QB 3.500 . 5.000 2.697 1.839 3.534 . 0 0 "[ . 1 . 2 ]" 1
18 1 6 ALA HA 1 7 VAL H 3.000 . 3.800 2.257 2.180 2.369 . 0 0 "[ . 1 . 2 ]" 1
19 1 6 ALA MB 1 7 VAL H 3.900 . 5.500 3.202 2.784 3.591 . 0 0 "[ . 1 . 2 ]" 1
20 1 7 VAL H 1 7 VAL QG 3.700 . 6.100 2.533 1.868 2.982 . 0 0 "[ . 1 . 2 ]" 1
21 1 7 VAL H 1 80 PHE QD 4.100 . 6.400 5.018 3.827 5.713 . 0 0 "[ . 1 . 2 ]" 1
22 1 7 VAL H 1 34 ILE HB 3.300 . 4.800 3.396 2.141 4.809 0.009 3 0 "[ . 1 . 2 ]" 1
23 1 7 VAL H 1 34 ILE QG 4.000 . 6.200 3.877 1.964 4.615 . 0 0 "[ . 1 . 2 ]" 1
24 1 7 VAL H 1 35 ILE HA 3.900 . 6.000 3.758 2.115 4.688 . 0 0 "[ . 1 . 2 ]" 1
25 1 7 VAL HA 1 8 LEU H 3.100 . 4.200 2.215 2.199 2.254 . 0 0 "[ . 1 . 2 ]" 1
26 1 7 VAL HB 1 8 LEU H 3.600 . 4.800 4.197 3.272 4.483 . 0 0 "[ . 1 . 2 ]" 1
27 1 7 VAL QG 1 8 LEU H 4.100 . 5.100 2.923 2.403 3.647 . 0 0 "[ . 1 . 2 ]" 1
28 1 8 LEU H 1 8 LEU QB 3.300 . 4.800 2.172 1.918 2.250 . 0 0 "[ . 1 . 2 ]" 1
29 1 8 LEU H 1 8 LEU QD 4.500 . 7.700 3.513 2.642 3.740 . 0 0 "[ . 1 . 2 ]" 1
30 1 8 LEU H 1 8 LEU HG 3.800 . 5.800 4.416 4.272 4.549 . 0 0 "[ . 1 . 2 ]" 1
31 1 8 LEU H 1 80 PHE QD 4.300 . 6.800 4.782 3.907 5.653 . 0 0 "[ . 1 . 2 ]" 1
32 1 8 LEU H 1 83 ILE HA 3.700 . 5.600 1.930 1.778 2.313 0.022 5 0 "[ . 1 . 2 ]" 1
33 1 8 LEU H 1 83 ILE QG 3.900 . 6.000 3.127 2.424 3.874 . 0 0 "[ . 1 . 2 ]" 1
34 1 8 LEU H 1 84 ALA H 4.200 . 6.600 2.939 1.996 3.511 . 0 0 "[ . 1 . 2 ]" 1
35 1 7 VAL QG 1 9 PHE H 4.500 . 7.700 3.410 2.780 4.182 . 0 0 "[ . 1 . 2 ]" 1
36 1 8 LEU HA 1 9 PHE H 3.100 . 4.400 2.343 2.211 2.435 . 0 0 "[ . 1 . 2 ]" 1
37 1 8 LEU QD 1 9 PHE H 3.900 . 6.500 3.670 2.429 4.047 . 0 0 "[ . 1 . 2 ]" 1
38 1 8 LEU H 1 9 PHE H 4.500 . 7.200 4.141 3.902 4.463 . 0 0 "[ . 1 . 2 ]" 1
39 1 9 PHE H 1 9 PHE QB 3.600 . 5.400 2.161 1.951 2.681 . 0 0 "[ . 1 . 2 ]" 1
40 1 9 PHE H 1 9 PHE QD 4.800 . 7.800 2.838 1.795 3.426 0.005 4 0 "[ . 1 . 2 ]" 1
41 1 9 PHE H 1 36 ASP H 4.000 . 6.200 3.033 2.203 3.626 . 0 0 "[ . 1 . 2 ]" 1
42 1 9 PHE H 1 37 SER HA 3.500 . 5.200 3.117 2.335 3.696 . 0 0 "[ . 1 . 2 ]" 1
43 1 9 PHE H 1 132 ILE MD 4.700 . 8.100 6.782 6.765 6.803 . 0 0 "[ . 1 . 2 ]" 1
44 1 9 PHE HA 1 10 VAL H 3.000 . 4.200 2.255 2.218 2.377 . 0 0 "[ . 1 . 2 ]" 1
45 1 10 VAL H 1 10 VAL HB 3.400 . 4.800 2.808 2.400 3.607 . 0 0 "[ . 1 . 2 ]" 1
46 1 10 VAL H 1 10 VAL QG 4.000 . 6.700 2.447 1.823 2.966 . 0 0 "[ . 1 . 2 ]" 1
47 1 10 VAL H 1 84 ALA MB 4.200 . 7.100 3.491 2.482 4.318 . 0 0 "[ . 1 . 2 ]" 1
48 1 10 VAL H 1 84 ALA H 3.900 . 6.000 4.112 3.573 4.561 . 0 0 "[ . 1 . 2 ]" 1
49 1 10 VAL H 1 85 ALA HA 3.900 . 6.000 2.929 2.196 3.648 . 0 0 "[ . 1 . 2 ]" 1
50 1 10 VAL H 1 86 LEU QD 4.000 . 6.700 3.682 2.754 4.983 . 0 0 "[ . 1 . 2 ]" 1
51 1 10 VAL HA 1 11 CYS H 2.800 . 3.800 2.423 2.306 2.556 . 0 0 "[ . 1 . 2 ]" 1
52 1 10 VAL QG 1 11 CYS H 3.900 . 5.300 1.841 1.746 2.231 0.054 10 0 "[ . 1 . 2 ]" 1
53 1 11 CYS H 1 11 CYS QB 3.200 . 4.600 2.859 2.490 3.429 . 0 0 "[ . 1 . 2 ]" 1
54 1 12 LEU HA 1 13 GLY H 3.400 . 5.000 2.872 2.220 3.593 . 0 0 "[ . 1 . 2 ]" 1
55 1 12 LEU QB 1 13 GLY H 4.200 . 6.600 3.214 1.805 3.998 . 0 0 "[ . 1 . 2 ]" 1
56 1 12 LEU QD 1 13 GLY H 5.100 . 8.900 3.523 2.388 4.595 . 0 0 "[ . 1 . 2 ]" 1
57 1 12 LEU HG 1 13 GLY H 4.100 . 6.400 4.758 3.741 5.925 . 0 0 "[ . 1 . 2 ]" 1
58 1 13 GLY H 1 14 ASN H 4.000 . 5.800 2.492 1.841 4.142 . 0 0 "[ . 1 . 2 ]" 1
59 1 12 LEU HA 1 14 ASN H 3.300 . 4.800 4.268 3.205 4.840 0.040 5 0 "[ . 1 . 2 ]" 1
60 1 15 ILE H 1 15 ILE HB 3.600 . 5.400 2.541 2.182 3.332 . 0 0 "[ . 1 . 2 ]" 1
61 1 15 ILE H 1 15 ILE QG 4.000 . 6.200 2.646 1.965 3.365 . 0 0 "[ . 1 . 2 ]" 1
62 1 19 PRO QD 1 20 ALA H 3.600 . 5.400 2.603 2.318 2.804 . 0 0 "[ . 1 . 2 ]" 1
63 1 19 PRO QG 1 20 ALA H 4.300 . 6.800 3.018 2.571 3.413 . 0 0 "[ . 1 . 2 ]" 1
64 1 20 ALA H 1 20 ALA MB 3.300 . 4.900 2.127 1.952 2.257 . 0 0 "[ . 1 . 2 ]" 1
65 1 20 ALA H 1 21 CYS HA 3.500 . 5.200 4.926 4.697 5.206 0.006 10 0 "[ . 1 . 2 ]" 1
66 1 20 ALA H 1 21 CYS H 3.200 . 4.600 2.423 2.077 2.694 . 0 0 "[ . 1 . 2 ]" 1
67 1 20 ALA H 1 128 MET ME 4.500 . 7.700 3.649 2.468 4.870 . 0 0 "[ . 1 . 2 ]" 1
68 1 20 ALA H 1 132 ILE MD 4.300 . 7.300 3.898 2.269 5.077 . 0 0 "[ . 1 . 2 ]" 1
69 1 19 PRO QD 1 21 CYS H 3.500 . 5.200 4.450 3.634 4.651 . 0 0 "[ . 1 . 2 ]" 1
70 1 20 ALA HA 1 21 CYS H 3.800 . 5.600 3.403 3.254 3.589 . 0 0 "[ . 1 . 2 ]" 1
71 1 21 CYS H 1 21 CYS QB 3.600 . 4.800 2.262 1.916 2.503 . 0 0 "[ . 1 . 2 ]" 1
72 1 21 CYS H 1 22 GLU QB 4.000 . 4.600 4.144 4.108 4.207 . 0 0 "[ . 1 . 2 ]" 1
73 1 21 CYS H 1 22 GLU H 3.400 . 5.000 2.625 2.485 2.770 . 0 0 "[ . 1 . 2 ]" 1
74 1 21 CYS H 1 128 MET ME 4.700 . 8.100 5.065 4.389 6.088 . 0 0 "[ . 1 . 2 ]" 1
75 1 21 CYS H 1 132 ILE MD 4.200 . 7.100 2.827 2.007 3.541 . 0 0 "[ . 1 . 2 ]" 1
76 1 9 PHE QD 1 22 GLU H 4.300 . 6.800 5.299 3.850 6.065 . 0 0 "[ . 1 . 2 ]" 1
77 1 9 PHE QE 1 22 GLU H 4.900 . 8.000 6.175 3.152 7.133 . 0 0 "[ . 1 . 2 ]" 1
78 1 19 PRO HA 1 22 GLU H 3.300 . 4.800 4.318 3.500 4.816 0.016 16 0 "[ . 1 . 2 ]" 1
79 1 20 ALA H 1 22 GLU H 4.000 . 6.200 4.359 3.526 4.862 . 0 0 "[ . 1 . 2 ]" 1
80 1 21 CYS HA 1 22 GLU H 3.800 . 5.800 3.547 3.501 3.583 . 0 0 "[ . 1 . 2 ]" 1
81 1 21 CYS QB 1 22 GLU H 3.700 . 4.600 2.622 2.119 3.471 . 0 0 "[ . 1 . 2 ]" 1
82 1 22 GLU H 1 22 GLU QG 3.500 . 5.200 3.573 3.188 3.925 . 0 0 "[ . 1 . 2 ]" 1
83 1 22 GLU H 1 23 GLY QA 3.600 . 5.400 4.647 4.531 4.816 . 0 0 "[ . 1 . 2 ]" 1
84 1 20 ALA HA 1 23 GLY H 3.800 . 5.400 3.472 3.102 4.120 . 0 0 "[ . 1 . 2 ]" 1
85 1 22 GLU QB 1 23 GLY H 4.000 . 5.800 2.512 2.332 2.729 . 0 0 "[ . 1 . 2 ]" 1
86 1 23 GLY H 1 24 ILE MG 3.800 . 6.300 4.091 3.382 5.217 . 0 0 "[ . 1 . 2 ]" 1
87 1 23 GLY H 1 24 ILE H 3.500 . 5.200 2.707 2.524 2.874 . 0 0 "[ . 1 . 2 ]" 1
88 1 23 GLY H 1 67 GLN QE 4.100 . 6.400 5.299 4.648 5.702 . 0 0 "[ . 1 . 2 ]" 1
89 1 24 ILE H 1 24 ILE MG 4.000 . 5.500 2.559 1.983 3.404 . 0 0 "[ . 1 . 2 ]" 1
90 1 24 ILE HA 1 25 CYS H 3.600 . 5.400 3.576 3.526 3.594 . 0 0 "[ . 1 . 2 ]" 1
91 1 24 ILE HB 1 25 CYS H 3.200 . 4.600 3.520 2.848 3.995 . 0 0 "[ . 1 . 2 ]" 1
92 1 24 ILE MG 1 25 CYS H 4.100 . 6.900 1.794 1.700 2.017 0.100 9 0 "[ . 1 . 2 ]" 1
93 1 25 CYS H 1 25 CYS QB 3.000 . 4.200 2.177 1.958 2.391 . 0 0 "[ . 1 . 2 ]" 1
94 1 26 ARG H 1 26 ARG QB 3.300 . 4.800 2.201 2.057 2.426 . 0 0 "[ . 1 . 2 ]" 1
95 1 26 ARG H 1 27 ASP H 3.400 . 4.400 2.794 2.617 3.029 . 0 0 "[ . 1 . 2 ]" 1
96 1 24 ILE HA 1 27 ASP H 3.500 . 5.200 3.841 3.581 4.102 . 0 0 "[ . 1 . 2 ]" 1
97 1 26 ARG HA 1 27 ASP H 3.500 . 5.200 3.554 3.493 3.592 . 0 0 "[ . 1 . 2 ]" 1
98 1 27 ASP H 1 27 ASP HA 2.900 . 4.000 2.935 2.901 2.957 . 0 0 "[ . 1 . 2 ]" 1
99 1 27 ASP H 1 27 ASP QB 2.700 . 3.600 2.110 1.960 2.267 . 0 0 "[ . 1 . 2 ]" 1
100 1 27 ASP H 1 28 MET H 3.100 . 4.400 2.460 2.322 2.594 . 0 0 "[ . 1 . 2 ]" 1
101 1 24 ILE HA 1 28 MET H 4.100 . 6.400 3.983 3.261 4.335 . 0 0 "[ . 1 . 2 ]" 1
102 1 26 ARG H 1 28 MET H 3.400 . 5.000 4.181 3.834 4.682 . 0 0 "[ . 1 . 2 ]" 1
103 1 27 ASP HA 1 28 MET H 3.200 . 4.600 3.548 3.452 3.590 . 0 0 "[ . 1 . 2 ]" 1
104 1 27 ASP QB 1 28 MET H 2.800 . 3.800 2.625 2.178 3.076 . 0 0 "[ . 1 . 2 ]" 1
105 1 28 MET H 1 28 MET HA 2.900 . 4.000 2.893 2.799 2.963 . 0 0 "[ . 1 . 2 ]" 1
106 1 28 MET H 1 28 MET QB 3.000 . 4.000 2.084 1.927 2.356 . 0 0 "[ . 1 . 2 ]" 1
107 1 28 MET H 1 28 MET QG 3.400 . 5.000 3.458 2.069 3.860 . 0 0 "[ . 1 . 2 ]" 1
108 1 28 MET H 1 29 VAL QG 4.200 . 5.900 3.751 3.061 4.371 . 0 0 "[ . 1 . 2 ]" 1
109 1 28 MET H 1 29 VAL H 2.700 . 3.600 2.625 2.279 2.894 . 0 0 "[ . 1 . 2 ]" 1
110 1 26 ARG HA 1 29 VAL H 3.300 . 4.800 3.979 3.583 4.344 . 0 0 "[ . 1 . 2 ]" 1
111 1 28 MET HA 1 29 VAL H 3.600 . 5.000 3.529 3.328 3.594 . 0 0 "[ . 1 . 2 ]" 1
112 1 28 MET QB 1 29 VAL H 3.400 . 4.400 2.686 2.212 3.360 . 0 0 "[ . 1 . 2 ]" 1
113 1 29 VAL H 1 29 VAL HB 3.600 . 5.200 3.220 2.258 3.909 . 0 0 "[ . 1 . 2 ]" 1
114 1 29 VAL H 1 29 VAL QG 3.400 . 5.500 2.191 1.798 2.750 0.002 12 0 "[ . 1 . 2 ]" 1
115 1 29 VAL H 1 30 GLY H 2.900 . 4.000 2.145 1.799 2.687 0.001 8 0 "[ . 1 . 2 ]" 1
116 1 29 VAL HA 1 30 GLY H 3.400 . 5.000 3.307 2.827 3.577 . 0 0 "[ . 1 . 2 ]" 1
117 1 29 VAL HB 1 30 GLY H 4.000 . 6.200 3.578 2.425 4.524 . 0 0 "[ . 1 . 2 ]" 1
118 1 29 VAL QG 1 30 GLY H 3.700 . 4.900 3.101 1.792 3.541 0.008 12 0 "[ . 1 . 2 ]" 1
119 1 30 GLY H 1 30 GLY QA 2.600 . 3.400 2.310 2.231 2.421 . 0 0 "[ . 1 . 2 ]" 1
120 1 30 GLY H 1 32 LYS H 3.700 . 5.600 4.807 4.085 5.609 0.009 10 0 "[ . 1 . 2 ]" 1
121 1 30 GLY QA 1 31 ASP H 2.500 . 3.200 2.559 2.168 2.881 . 0 0 "[ . 1 . 2 ]" 1
122 1 31 ASP H 1 31 ASP QB 3.300 . 4.200 2.738 1.928 3.361 . 0 0 "[ . 1 . 2 ]" 1
123 1 31 ASP H 1 32 LYS QB 4.100 . 6.400 4.310 3.422 5.434 . 0 0 "[ . 1 . 2 ]" 1
124 1 31 ASP H 1 32 LYS QG 3.800 . 5.800 3.404 2.117 5.040 . 0 0 "[ . 1 . 2 ]" 1
125 1 31 ASP H 1 32 LYS H 3.000 . 4.200 2.894 1.812 3.999 . 0 0 "[ . 1 . 2 ]" 1
126 1 32 LYS H 1 32 LYS HA 2.800 . 3.600 2.947 2.362 3.002 . 0 0 "[ . 1 . 2 ]" 1
127 1 32 LYS H 1 32 LYS QB 2.900 . 3.600 2.568 2.047 3.100 . 0 0 "[ . 1 . 2 ]" 1
128 1 32 LYS H 1 32 LYS QG 3.000 . 4.200 2.634 1.932 3.330 . 0 0 "[ . 1 . 2 ]" 1
129 1 32 LYS H 1 33 LEU QD 4.500 . 7.700 4.556 2.571 5.726 . 0 0 "[ . 1 . 2 ]" 1
130 1 32 LYS H 1 33 LEU H 2.900 . 4.000 3.676 2.062 4.075 0.075 9 0 "[ . 1 . 2 ]" 1
131 1 32 LYS QB 1 33 LEU H 3.400 . 5.000 2.327 1.740 3.923 0.060 6 0 "[ . 1 . 2 ]" 1
132 1 33 LEU H 1 33 LEU QB 3.100 . 3.800 2.752 2.199 3.424 . 0 0 "[ . 1 . 2 ]" 1
133 1 33 LEU H 1 33 LEU QD 4.000 . 6.700 3.066 1.851 3.789 . 0 0 "[ . 1 . 2 ]" 1
134 1 33 LEU H 1 34 ILE H 3.800 . 5.800 3.306 1.790 4.653 0.010 9 0 "[ . 1 . 2 ]" 1
135 1 6 ALA HA 1 34 ILE H 3.300 . 4.800 2.750 1.794 3.340 0.006 19 0 "[ . 1 . 2 ]" 1
136 1 7 VAL H 1 34 ILE H 3.800 . 5.800 4.299 3.280 4.960 . 0 0 "[ . 1 . 2 ]" 1
137 1 33 LEU QB 1 34 ILE H 3.200 . 4.600 2.118 1.688 4.033 0.112 21 0 "[ . 1 . 2 ]" 1
138 1 33 LEU HG 1 34 ILE H 3.000 . 4.200 4.016 1.886 4.288 0.088 4 0 "[ . 1 . 2 ]" 1
139 1 34 ILE H 1 34 ILE HB 3.000 . 4.000 3.741 3.507 3.978 . 0 0 "[ . 1 . 2 ]" 1
140 1 34 ILE H 1 34 ILE QG 2.900 . 4.000 3.081 1.744 3.678 0.056 4 0 "[ . 1 . 2 ]" 1
141 1 9 PHE QD 1 35 ILE H 4.900 . 8.000 5.873 4.734 6.813 . 0 0 "[ . 1 . 2 ]" 1
142 1 26 ARG QH1 1 35 ILE H 4.900 . 8.000 6.692 4.515 9.483 1.483 8 3 "[ . + 1 .* 2-]" 1
143 1 34 ILE HA 1 35 ILE H 2.800 . 3.400 3.128 2.255 3.531 0.131 8 0 "[ . 1 . 2 ]" 1
144 1 34 ILE MD 1 35 ILE H 3.500 . 5.700 3.761 1.923 4.752 . 0 0 "[ . 1 . 2 ]" 1
145 1 35 ILE H 1 35 ILE HB 3.000 . 4.000 2.296 2.065 2.720 . 0 0 "[ . 1 . 2 ]" 1
146 1 7 VAL H 1 36 ASP H 4.100 . 6.400 3.589 3.320 4.337 . 0 0 "[ . 1 . 2 ]" 1
147 1 8 LEU HA 1 36 ASP H 3.400 . 5.000 3.359 2.417 3.713 . 0 0 "[ . 1 . 2 ]" 1
148 1 8 LEU QD 1 36 ASP H 4.400 . 7.500 4.326 3.191 4.703 . 0 0 "[ . 1 . 2 ]" 1
149 1 9 PHE QD 1 36 ASP H 3.900 . 6.000 2.979 2.313 3.415 . 0 0 "[ . 1 . 2 ]" 1
150 1 35 ILE HA 1 36 ASP H 2.800 . 3.800 2.295 2.206 2.395 . 0 0 "[ . 1 . 2 ]" 1
151 1 35 ILE HB 1 36 ASP H 3.600 . 5.400 4.552 4.278 4.679 . 0 0 "[ . 1 . 2 ]" 1
152 1 35 ILE MD 1 36 ASP H 3.900 . 6.500 5.067 3.942 5.456 . 0 0 "[ . 1 . 2 ]" 1
153 1 35 ILE MG 1 36 ASP H 3.800 . 6.300 3.347 2.421 4.064 . 0 0 "[ . 1 . 2 ]" 1
154 1 36 ASP H 1 36 ASP QB 3.600 . 5.000 2.547 2.095 2.799 . 0 0 "[ . 1 . 2 ]" 1
155 1 8 LEU QD 1 37 SER H 3.900 . 6.500 3.916 2.016 4.815 . 0 0 "[ . 1 . 2 ]" 1
156 1 14 ASN QD 1 37 SER H 4.500 . 7.200 5.479 4.251 6.451 . 0 0 "[ . 1 . 2 ]" 1
157 1 36 ASP HA 1 37 SER H 2.700 . 3.600 2.350 2.221 2.564 . 0 0 "[ . 1 . 2 ]" 1
158 1 36 ASP QB 1 37 SER H 3.400 . 5.000 3.524 2.251 3.932 . 0 0 "[ . 1 . 2 ]" 1
159 1 8 LEU QD 1 38 ALA H 4.100 . 6.900 3.653 2.978 4.387 . 0 0 "[ . 1 . 2 ]" 1
160 1 37 SER HA 1 38 ALA H 2.900 . 4.000 2.248 2.210 2.416 . 0 0 "[ . 1 . 2 ]" 1
161 1 38 ALA H 1 70 ARG QH1 4.700 . 7.600 5.815 4.341 6.945 . 0 0 "[ . 1 . 2 ]" 1
162 1 38 ALA H 1 70 ARG QH2 4.800 . 7.800 5.706 4.362 6.592 . 0 0 "[ . 1 . 2 ]" 1
163 1 38 ALA HA 1 39 ALA H 3.400 . 5.000 2.607 2.451 2.824 . 0 0 "[ . 1 . 2 ]" 1
164 1 38 ALA MB 1 39 ALA H 3.800 . 5.700 2.278 1.963 2.661 . 0 0 "[ . 1 . 2 ]" 1
165 1 38 ALA H 1 39 ALA H 3.500 . 5.200 4.421 4.307 4.501 . 0 0 "[ . 1 . 2 ]" 1
166 1 10 VAL QG 1 40 THR H 4.500 . 7.700 2.791 1.926 3.746 . 0 0 "[ . 1 . 2 ]" 1
167 1 38 ALA MB 1 40 THR H 4.300 . 7.300 4.915 3.854 5.705 . 0 0 "[ . 1 . 2 ]" 1
168 1 39 ALA HA 1 40 THR H 3.100 . 4.000 2.358 2.212 2.804 . 0 0 "[ . 1 . 2 ]" 1
169 1 39 ALA MB 1 40 THR H 4.100 . 6.900 3.047 1.850 3.662 . 0 0 "[ . 1 . 2 ]" 1
170 1 40 THR H 1 40 THR MG 4.000 . 5.300 2.230 1.835 3.675 . 0 0 "[ . 1 . 2 ]" 1
171 1 39 ALA HA 1 41 SER H 3.600 . 5.400 4.561 3.381 5.322 . 0 0 "[ . 1 . 2 ]" 1
172 1 39 ALA MB 1 41 SER H 3.600 . 5.900 3.404 2.540 4.393 . 0 0 "[ . 1 . 2 ]" 1
173 1 41 SER H 1 41 SER QB 2.900 . 4.000 2.712 1.985 3.436 . 0 0 "[ . 1 . 2 ]" 1
174 1 41 SER HA 1 42 GLY H 2.800 . 3.800 2.819 2.225 3.593 . 0 0 "[ . 1 . 2 ]" 1
175 1 41 SER QB 1 42 GLY H 3.400 . 5.000 3.121 1.906 4.038 . 0 0 "[ . 1 . 2 ]" 1
176 1 42 GLY H 1 43 PHE QB 4.400 . 7.000 4.386 3.705 5.239 . 0 0 "[ . 1 . 2 ]" 1
177 1 42 GLY H 1 43 PHE H 3.300 . 4.400 3.489 2.101 4.387 . 0 0 "[ . 1 . 2 ]" 1
178 1 42 GLY H 1 45 VAL QG 4.500 . 7.700 4.493 3.206 5.706 . 0 0 "[ . 1 . 2 ]" 1
179 1 42 GLY H 1 71 GLN QE 4.000 . 6.000 4.311 2.480 5.345 . 0 0 "[ . 1 . 2 ]" 1
180 1 42 GLY QA 1 43 PHE H 3.500 . 5.200 2.423 2.184 2.868 . 0 0 "[ . 1 . 2 ]" 1
181 1 43 PHE H 1 43 PHE HA 2.900 . 4.000 2.880 2.366 3.002 . 0 0 "[ . 1 . 2 ]" 1
182 1 43 PHE H 1 43 PHE QB 3.100 . 4.400 2.444 1.998 3.069 . 0 0 "[ . 1 . 2 ]" 1
183 1 43 PHE H 1 45 VAL H 4.600 . 7.400 4.616 2.518 5.787 . 0 0 "[ . 1 . 2 ]" 1
184 1 43 PHE HA 1 44 HIS H 3.800 . 5.800 3.380 2.212 3.593 . 0 0 "[ . 1 . 2 ]" 1
185 1 43 PHE QB 1 44 HIS H 3.500 . 5.200 2.702 1.864 3.766 . 0 0 "[ . 1 . 2 ]" 1
186 1 43 PHE H 1 44 HIS H 3.700 . 5.600 2.593 1.924 4.390 . 0 0 "[ . 1 . 2 ]" 1
187 1 44 HIS H 1 44 HIS HA 2.700 . 3.600 2.914 2.364 3.003 . 0 0 "[ . 1 . 2 ]" 1
188 1 44 HIS H 1 44 HIS QB 3.700 . 5.600 2.430 1.952 3.158 . 0 0 "[ . 1 . 2 ]" 1
189 1 44 HIS H 1 44 HIS HD2 4.000 . 6.200 3.795 2.165 5.566 . 0 0 "[ . 1 . 2 ]" 1
190 1 44 HIS H 1 45 VAL QG 4.400 . 5.900 3.187 2.488 4.072 . 0 0 "[ . 1 . 2 ]" 1
191 1 44 HIS H 1 45 VAL H 3.200 . 4.200 3.359 1.901 4.192 . 0 0 "[ . 1 . 2 ]" 1
192 1 43 PHE HA 1 45 VAL H 3.700 . 5.600 4.591 3.331 5.573 . 0 0 "[ . 1 . 2 ]" 1
193 1 43 PHE QB 1 45 VAL H 4.100 . 6.400 4.949 3.659 5.620 . 0 0 "[ . 1 . 2 ]" 1
194 1 44 HIS HA 1 45 VAL H 2.900 . 4.000 2.718 2.263 3.507 . 0 0 "[ . 1 . 2 ]" 1
195 1 44 HIS QB 1 45 VAL H 4.100 . 6.400 3.703 1.906 3.988 . 0 0 "[ . 1 . 2 ]" 1
196 1 45 VAL H 1 45 VAL HB 2.700 . 3.400 2.870 2.351 3.498 0.098 20 0 "[ . 1 . 2 ]" 1
197 1 45 VAL H 1 46 GLY H 3.600 . 5.400 4.112 1.910 4.682 . 0 0 "[ . 1 . 2 ]" 1
198 1 45 VAL H 1 69 ALA MB 4.500 . 7.700 4.474 3.730 5.184 . 0 0 "[ . 1 . 2 ]" 1
199 1 45 VAL HA 1 46 GLY H 2.900 . 4.000 2.484 2.214 3.478 . 0 0 "[ . 1 . 2 ]" 1
200 1 45 VAL QG 1 46 GLY H 3.800 . 5.100 2.529 1.774 3.635 0.026 8 0 "[ . 1 . 2 ]" 1
201 1 46 GLY H 1 47 GLN H 3.600 . 4.800 2.551 1.883 3.005 . 0 0 "[ . 1 . 2 ]" 1
202 1 46 GLY H 1 69 ALA MB 4.100 . 6.900 3.824 2.269 5.409 . 0 0 "[ . 1 . 2 ]" 1
203 1 47 GLN H 1 47 GLN HA 3.000 . 4.200 2.920 2.863 3.003 . 0 0 "[ . 1 . 2 ]" 1
204 1 47 GLN H 1 47 GLN QG 2.900 . 4.000 2.435 2.141 2.820 . 0 0 "[ . 1 . 2 ]" 1
205 1 47 GLN H 1 48 SER H 3.500 . 5.200 3.797 1.861 4.291 . 0 0 "[ . 1 . 2 ]" 1
206 1 48 SER H 1 48 SER QB 3.200 . 4.400 2.862 2.168 3.027 . 0 0 "[ . 1 . 2 ]" 1
207 1 15 ILE MD 1 50 ASP H 4.700 . 7.100 5.622 4.340 5.916 . 0 0 "[ . 1 . 2 ]" 1
208 1 15 ILE MG 1 50 ASP H 4.400 . 6.900 4.690 3.181 5.750 . 0 0 "[ . 1 . 2 ]" 1
209 1 49 PRO HA 1 50 ASP H 3.000 . 4.200 2.508 2.251 3.595 . 0 0 "[ . 1 . 2 ]" 1
210 1 50 ASP H 1 50 ASP QB 3.500 . 5.200 2.379 2.020 3.448 . 0 0 "[ . 1 . 2 ]" 1
211 1 51 THR H 1 51 THR HB 3.300 . 4.200 3.005 2.642 3.415 . 0 0 "[ . 1 . 2 ]" 1
212 1 51 THR H 1 51 THR MG 3.900 . 6.500 3.376 2.855 3.678 . 0 0 "[ . 1 . 2 ]" 1
213 1 51 THR H 1 52 ARG HA 3.400 . 5.000 5.122 5.110 5.151 0.151 17 0 "[ . 1 . 2 ]" 1
214 1 49 PRO HA 1 52 ARG H 3.700 . 5.600 5.340 4.070 5.618 0.018 7 0 "[ . 1 . 2 ]" 1
215 1 52 ARG H 1 52 ARG QB 3.600 . 5.400 2.176 1.954 2.440 . 0 0 "[ . 1 . 2 ]" 1
216 1 52 ARG H 1 52 ARG QD 3.800 . 5.800 3.552 2.189 4.428 . 0 0 "[ . 1 . 2 ]" 1
217 1 52 ARG H 1 52 ARG QG 3.100 . 4.400 2.840 1.957 3.957 . 0 0 "[ . 1 . 2 ]" 1
218 1 52 ARG H 1 53 SER QB 4.300 . 6.800 4.299 4.060 5.024 . 0 0 "[ . 1 . 2 ]" 1
219 1 52 ARG H 1 53 SER H 3.400 . 5.000 2.620 2.512 2.712 . 0 0 "[ . 1 . 2 ]" 1
220 1 52 ARG H 1 54 GLN H 3.800 . 5.800 4.138 3.990 4.480 . 0 0 "[ . 1 . 2 ]" 1
221 1 50 ASP QB 1 53 SER H 4.300 . 6.800 4.554 4.137 5.246 . 0 0 "[ . 1 . 2 ]" 1
222 1 52 ARG HA 1 53 SER H 3.800 . 5.800 3.575 3.541 3.584 . 0 0 "[ . 1 . 2 ]" 1
223 1 52 ARG QB 1 53 SER H 4.300 . 6.000 2.344 2.115 2.529 . 0 0 "[ . 1 . 2 ]" 1
224 1 52 ARG QG 1 53 SER H 3.900 . 6.000 4.027 3.188 4.329 . 0 0 "[ . 1 . 2 ]" 1
225 1 53 SER H 1 53 SER QB 3.600 . 5.400 2.103 1.927 2.813 . 0 0 "[ . 1 . 2 ]" 1
226 1 53 SER H 1 54 GLN H 3.500 . 5.200 2.804 2.741 2.871 . 0 0 "[ . 1 . 2 ]" 1
227 1 51 THR HA 1 54 GLN H 3.000 . 4.200 3.810 3.713 4.003 . 0 0 "[ . 1 . 2 ]" 1
228 1 53 SER QB 1 54 GLN H 3.600 . 5.400 2.577 2.057 3.180 . 0 0 "[ . 1 . 2 ]" 1
229 1 54 GLN H 1 54 GLN QB 3.000 . 4.200 2.209 2.033 2.490 . 0 0 "[ . 1 . 2 ]" 1
230 1 54 GLN H 1 54 GLN QE 3.200 . 4.600 3.984 3.714 4.107 . 0 0 "[ . 1 . 2 ]" 1
231 1 54 GLN H 1 54 GLN QG 3.000 . 4.200 2.984 1.813 3.835 . 0 0 "[ . 1 . 2 ]" 1
232 1 52 ARG HA 1 55 LYS H 3.100 . 4.400 3.664 3.521 3.848 . 0 0 "[ . 1 . 2 ]" 1
233 1 54 GLN QB 1 55 LYS H 2.900 . 4.000 2.640 2.108 3.462 . 0 0 "[ . 1 . 2 ]" 1
234 1 54 GLN QE 1 55 LYS H 4.000 . 6.000 4.367 2.098 5.243 . 0 0 "[ . 1 . 2 ]" 1
235 1 54 GLN QG 1 55 LYS H 3.000 . 4.200 3.118 1.823 3.803 . 0 0 "[ . 1 . 2 ]" 1
236 1 55 LYS H 1 55 LYS QB 2.700 . 3.600 2.073 2.038 2.124 . 0 0 "[ . 1 . 2 ]" 1
237 1 55 LYS H 1 55 LYS QG 3.400 . 4.800 3.819 3.767 3.881 . 0 0 "[ . 1 . 2 ]" 1
238 1 55 LYS H 1 56 VAL H 3.400 . 5.000 3.085 2.982 3.210 . 0 0 "[ . 1 . 2 ]" 1
239 1 55 LYS HA 1 56 VAL H 3.000 . 4.200 3.587 3.575 3.594 . 0 0 "[ . 1 . 2 ]" 1
240 1 55 LYS QB 1 56 VAL H 3.100 . 4.400 2.256 2.157 2.347 . 0 0 "[ . 1 . 2 ]" 1
241 1 55 LYS QG 1 56 VAL H 3.000 . 4.200 2.167 2.100 2.231 . 0 0 "[ . 1 . 2 ]" 1
242 1 56 VAL H 1 56 VAL HB 3.100 . 3.800 2.706 2.266 3.542 . 0 0 "[ . 1 . 2 ]" 1
243 1 56 VAL H 1 57 CYS HA 4.000 . 6.200 5.416 5.358 5.508 . 0 0 "[ . 1 . 2 ]" 1
244 1 56 VAL H 1 57 CYS H 3.200 . 4.600 2.778 2.717 2.886 . 0 0 "[ . 1 . 2 ]" 1
245 1 54 GLN HA 1 57 CYS H 4.000 . 6.200 3.533 3.403 3.635 . 0 0 "[ . 1 . 2 ]" 1
246 1 55 LYS HA 1 57 CYS H 3.800 . 5.800 4.245 4.174 4.347 . 0 0 "[ . 1 . 2 ]" 1
247 1 55 LYS QE 1 57 CYS H 3.700 . 5.600 4.857 4.282 4.998 . 0 0 "[ . 1 . 2 ]" 1
248 1 55 LYS QG 1 57 CYS H 3.300 . 4.800 4.325 4.313 4.344 . 0 0 "[ . 1 . 2 ]" 1
249 1 57 CYS H 1 57 CYS QB 3.200 . 4.600 1.994 1.922 2.194 . 0 0 "[ . 1 . 2 ]" 1
250 1 57 CYS H 1 58 LYS H 3.500 . 5.200 2.873 2.715 2.929 . 0 0 "[ . 1 . 2 ]" 1
251 1 55 LYS HA 1 58 LYS H 3.500 . 4.800 3.612 3.320 3.750 . 0 0 "[ . 1 . 2 ]" 1
252 1 58 LYS H 1 58 LYS QB 3.200 . 3.800 2.102 1.929 2.428 . 0 0 "[ . 1 . 2 ]" 1
253 1 58 LYS H 1 58 LYS QE 3.900 . 6.000 4.667 3.348 5.348 . 0 0 "[ . 1 . 2 ]" 1
254 1 58 LYS H 1 59 SER H 3.400 . 4.600 2.529 2.417 2.610 . 0 0 "[ . 1 . 2 ]" 1
255 1 58 LYS H 1 60 ASN H 4.100 . 6.400 3.961 3.870 4.065 . 0 0 "[ . 1 . 2 ]" 1
256 1 56 VAL HA 1 59 SER H 3.200 . 4.600 3.175 3.112 3.267 . 0 0 "[ . 1 . 2 ]" 1
257 1 58 LYS QB 1 59 SER H 3.400 . 5.000 2.842 2.638 3.048 . 0 0 "[ . 1 . 2 ]" 1
258 1 58 LYS QG 1 59 SER H 3.800 . 5.800 4.261 3.848 4.535 . 0 0 "[ . 1 . 2 ]" 1
259 1 59 SER H 1 59 SER HA 2.900 . 4.000 2.935 2.911 2.966 . 0 0 "[ . 1 . 2 ]" 1
260 1 59 SER H 1 59 SER QB 3.000 . 4.200 2.115 1.977 2.580 . 0 0 "[ . 1 . 2 ]" 1
261 1 59 SER H 1 60 ASN QB 4.100 . 6.400 4.041 3.869 4.248 . 0 0 "[ . 1 . 2 ]" 1
262 1 59 SER H 1 60 ASN H 3.100 . 4.400 2.431 2.294 2.522 . 0 0 "[ . 1 . 2 ]" 1
263 1 59 SER H 1 61 GLY H 3.700 . 5.600 3.871 3.728 3.985 . 0 0 "[ . 1 . 2 ]" 1
264 1 60 ASN H 1 60 ASN QB 3.100 . 3.800 2.218 2.157 2.391 . 0 0 "[ . 1 . 2 ]" 1
265 1 60 ASN H 1 60 ASN QD 3.600 . 5.200 4.031 3.034 4.615 . 0 0 "[ . 1 . 2 ]" 1
266 1 60 ASN H 1 61 GLY QA 3.100 . 4.400 4.020 3.990 4.045 . 0 0 "[ . 1 . 2 ]" 1
267 1 60 ASN H 1 61 GLY H 3.000 . 4.200 1.943 1.900 1.997 . 0 0 "[ . 1 . 2 ]" 1
268 1 60 ASN HA 1 61 GLY H 3.500 . 5.200 3.502 3.419 3.538 . 0 0 "[ . 1 . 2 ]" 1
269 1 61 GLY H 1 62 VAL H 3.100 . 4.400 2.722 2.044 3.334 . 0 0 "[ . 1 . 2 ]" 1
270 1 57 CYS QB 1 62 VAL H 3.800 . 5.800 4.320 3.868 5.161 . 0 0 "[ . 1 . 2 ]" 1
271 1 60 ASN H 1 62 VAL H 3.500 . 5.200 4.289 3.356 4.967 . 0 0 "[ . 1 . 2 ]" 1
272 1 61 GLY QA 1 62 VAL H 2.900 . 4.000 2.395 2.212 2.700 . 0 0 "[ . 1 . 2 ]" 1
273 1 62 VAL H 1 62 VAL HB 2.900 . 4.000 3.130 2.785 3.925 . 0 0 "[ . 1 . 2 ]" 1
274 1 62 VAL H 1 62 VAL QG 3.600 . 5.900 2.809 2.070 3.183 . 0 0 "[ . 1 . 2 ]" 1
275 1 62 VAL H 1 63 ASP H 3.900 . 6.000 3.974 2.782 4.425 . 0 0 "[ . 1 . 2 ]" 1
276 1 62 VAL HA 1 63 ASP H 2.700 . 3.400 2.358 2.212 2.976 . 0 0 "[ . 1 . 2 ]" 1
277 1 62 VAL QG 1 63 ASP H 4.200 . 5.900 2.582 1.766 3.716 0.034 8 0 "[ . 1 . 2 ]" 1
278 1 63 ASP H 1 63 ASP QB 3.100 . 3.800 2.436 1.930 3.125 . 0 0 "[ . 1 . 2 ]" 1
279 1 63 ASP HA 1 64 ILE H 3.100 . 4.400 2.285 2.211 2.573 . 0 0 "[ . 1 . 2 ]" 1
280 1 64 ILE H 1 64 ILE MD 4.900 . 5.700 3.774 3.515 4.310 . 0 0 "[ . 1 . 2 ]" 1
281 1 64 ILE H 1 64 ILE QG 3.700 . 5.600 2.190 1.876 3.564 . 0 0 "[ . 1 . 2 ]" 1
282 1 64 ILE H 1 64 ILE MG 4.400 . 5.700 2.874 1.952 3.896 . 0 0 "[ . 1 . 2 ]" 1
283 1 64 ILE H 1 65 SER H 3.200 . 4.600 4.093 1.863 4.622 0.022 17 0 "[ . 1 . 2 ]" 1
284 1 66 LYS H 1 66 LYS QD 3.300 . 4.800 3.618 2.216 4.264 . 0 0 "[ . 1 . 2 ]" 1
285 1 66 LYS H 1 66 LYS QG 3.000 . 4.200 2.973 2.228 3.743 . 0 0 "[ . 1 . 2 ]" 1
286 1 66 LYS H 1 67 GLN H 3.100 . 4.400 3.985 2.616 4.410 0.010 10 0 "[ . 1 . 2 ]" 1
287 1 66 LYS HA 1 67 GLN H 3.500 . 5.200 2.469 2.215 3.570 . 0 0 "[ . 1 . 2 ]" 1
288 1 66 LYS QG 1 67 GLN H 3.900 . 6.000 4.098 3.018 4.657 . 0 0 "[ . 1 . 2 ]" 1
289 1 67 GLN H 1 67 GLN QG 3.300 . 4.400 2.814 1.965 3.875 . 0 0 "[ . 1 . 2 ]" 1
290 1 67 GLN H 1 68 ARG H 3.000 . 4.200 3.578 2.314 4.226 0.026 16 0 "[ . 1 . 2 ]" 1
291 1 19 PRO HA 1 67 GLN QE 3.900 . 5.600 3.355 2.150 4.918 . 0 0 "[ . 1 . 2 ]" 1
292 1 64 ILE MG 1 67 GLN QE 4.900 . 6.100 3.107 2.005 4.256 . 0 0 "[ . 1 . 2 ]" 1
293 1 67 GLN HA 1 68 ARG H 2.700 . 3.600 2.818 2.214 3.592 . 0 0 "[ . 1 . 2 ]" 1
294 1 67 GLN QG 1 68 ARG H 3.600 . 5.400 4.098 2.627 4.786 . 0 0 "[ . 1 . 2 ]" 1
295 1 68 ARG H 1 68 ARG QB 3.200 . 4.600 2.628 2.066 3.129 . 0 0 "[ . 1 . 2 ]" 1
296 1 68 ARG H 1 69 ALA MB 3.900 . 6.500 4.965 3.562 5.384 . 0 0 "[ . 1 . 2 ]" 1
297 1 45 VAL HA 1 69 ALA H 3.400 . 5.000 4.173 3.107 4.957 . 0 0 "[ . 1 . 2 ]" 1
298 1 47 GLN H 1 69 ALA H 3.900 . 6.000 5.818 5.354 6.001 0.001 21 0 "[ . 1 . 2 ]" 1
299 1 68 ARG HA 1 69 ALA H 2.900 . 4.000 2.514 2.212 3.511 . 0 0 "[ . 1 . 2 ]" 1
300 1 68 ARG QB 1 69 ALA H 3.600 . 5.400 3.576 1.868 4.060 . 0 0 "[ . 1 . 2 ]" 1
301 1 69 ALA H 1 69 ALA MB 3.300 . 5.300 2.128 1.926 2.813 . 0 0 "[ . 1 . 2 ]" 1
302 1 69 ALA H 1 70 ARG H 3.700 . 5.600 4.466 3.010 4.707 . 0 0 "[ . 1 . 2 ]" 1
303 1 69 ALA HA 1 70 ARG H 2.800 . 3.800 2.298 2.209 2.590 . 0 0 "[ . 1 . 2 ]" 1
304 1 69 ALA MB 1 70 ARG H 3.700 . 4.700 3.137 2.427 3.709 . 0 0 "[ . 1 . 2 ]" 1
305 1 70 ARG H 1 70 ARG QB 3.700 . 5.600 2.820 2.167 3.231 . 0 0 "[ . 1 . 2 ]" 1
306 1 70 ARG H 1 70 ARG QD 3.400 . 5.000 3.736 2.254 4.448 . 0 0 "[ . 1 . 2 ]" 1
307 1 45 VAL QG 1 71 GLN H 3.700 . 6.100 4.087 3.040 4.527 . 0 0 "[ . 1 . 2 ]" 1
308 1 70 ARG QG 1 71 GLN H 2.900 . 4.000 3.054 1.976 3.564 . 0 0 "[ . 1 . 2 ]" 1
309 1 71 GLN H 1 71 GLN HA 2.800 . 3.800 2.744 2.364 2.998 . 0 0 "[ . 1 . 2 ]" 1
310 1 71 GLN H 1 71 GLN QB 3.200 . 4.400 2.443 2.133 2.908 . 0 0 "[ . 1 . 2 ]" 1
311 1 71 GLN QG 1 72 ILE H 3.600 . 5.400 2.418 1.859 3.915 . 0 0 "[ . 1 . 2 ]" 1
312 1 72 ILE H 1 72 ILE HB 3.200 . 4.600 2.544 2.220 3.154 . 0 0 "[ . 1 . 2 ]" 1
313 1 72 ILE H 1 72 ILE MG 3.600 . 4.900 2.178 1.849 3.713 . 0 0 "[ . 1 . 2 ]" 1
314 1 71 GLN QG 1 73 THR H 3.800 . 5.800 4.698 2.756 5.165 . 0 0 "[ . 1 . 2 ]" 1
315 1 72 ILE HA 1 73 THR H 3.000 . 4.000 2.489 2.212 3.572 . 0 0 "[ . 1 . 2 ]" 1
316 1 72 ILE MD 1 73 THR H 4.400 . 6.300 3.989 2.272 5.246 . 0 0 "[ . 1 . 2 ]" 1
317 1 72 ILE QG 1 73 THR H 3.000 . 4.200 2.512 1.806 3.749 . 0 0 "[ . 1 . 2 ]" 1
318 1 72 ILE MG 1 73 THR H 4.300 . 6.100 3.383 1.819 4.117 . 0 0 "[ . 1 . 2 ]" 1
319 1 73 THR H 1 76 ASP QB 3.700 . 5.600 4.009 2.490 4.865 . 0 0 "[ . 1 . 2 ]" 1
320 1 73 THR HB 1 74 LYS H 2.800 . 3.800 2.839 1.904 3.775 . 0 0 "[ . 1 . 2 ]" 1
321 1 73 THR MG 1 74 LYS H 3.900 . 5.700 3.061 1.842 4.237 . 0 0 "[ . 1 . 2 ]" 1
322 1 74 LYS H 1 74 LYS QG 3.400 . 4.200 2.462 1.919 3.599 . 0 0 "[ . 1 . 2 ]" 1
323 1 74 LYS H 1 75 ALA H 3.100 . 4.400 2.473 1.886 2.747 . 0 0 "[ . 1 . 2 ]" 1
324 1 74 LYS H 1 76 ASP H 4.200 . 6.600 4.158 2.815 4.912 . 0 0 "[ . 1 . 2 ]" 1
325 1 73 THR HB 1 75 ALA H 3.100 . 4.400 2.778 2.135 4.201 . 0 0 "[ . 1 . 2 ]" 1
326 1 73 THR MG 1 75 ALA H 4.200 . 7.100 3.510 1.883 4.758 . 0 0 "[ . 1 . 2 ]" 1
327 1 74 LYS QB 1 75 ALA H 3.400 . 4.800 3.278 2.841 3.865 . 0 0 "[ . 1 . 2 ]" 1
328 1 75 ALA H 1 75 ALA HA 2.800 . 3.800 2.902 2.829 2.985 . 0 0 "[ . 1 . 2 ]" 1
329 1 75 ALA H 1 75 ALA MB 3.000 . 4.100 2.052 1.910 2.219 . 0 0 "[ . 1 . 2 ]" 1
330 1 75 ALA H 1 76 ASP H 3.200 . 4.600 2.533 2.194 2.820 . 0 0 "[ . 1 . 2 ]" 1
331 1 75 ALA H 1 77 PHE H 4.000 . 6.200 4.473 4.222 4.770 . 0 0 "[ . 1 . 2 ]" 1
332 1 73 THR H 1 76 ASP H 3.600 . 5.400 4.129 3.447 5.341 . 0 0 "[ . 1 . 2 ]" 1
333 1 75 ALA HA 1 76 ASP H 3.000 . 4.200 3.470 3.353 3.579 . 0 0 "[ . 1 . 2 ]" 1
334 1 76 ASP H 1 76 ASP HA 3.000 . 4.200 2.800 2.756 2.901 . 0 0 "[ . 1 . 2 ]" 1
335 1 76 ASP H 1 76 ASP QB 2.800 . 3.800 2.292 2.061 2.531 . 0 0 "[ . 1 . 2 ]" 1
336 1 76 ASP H 1 77 PHE H 3.100 . 4.400 2.839 2.543 3.035 . 0 0 "[ . 1 . 2 ]" 1
337 1 76 ASP HA 1 77 PHE H 3.800 . 5.800 3.530 3.446 3.586 . 0 0 "[ . 1 . 2 ]" 1
338 1 76 ASP QB 1 77 PHE H 3.400 . 5.000 3.084 2.358 3.661 . 0 0 "[ . 1 . 2 ]" 1
339 1 77 PHE H 1 77 PHE QB 3.100 . 4.400 2.384 2.280 2.529 . 0 0 "[ . 1 . 2 ]" 1
340 1 77 PHE H 1 77 PHE QE 4.100 . 6.400 4.319 3.962 4.669 . 0 0 "[ . 1 . 2 ]" 1
341 1 77 PHE H 1 78 SER H 3.100 . 4.400 2.784 2.477 3.684 . 0 0 "[ . 1 . 2 ]" 1
342 1 76 ASP HA 1 78 SER H 3.800 . 5.800 3.950 3.469 4.818 . 0 0 "[ . 1 . 2 ]" 1
343 1 77 PHE HA 1 78 SER H 3.200 . 4.600 3.339 2.636 3.592 . 0 0 "[ . 1 . 2 ]" 1
344 1 77 PHE QB 1 78 SER H 3.700 . 5.600 3.040 2.171 3.924 . 0 0 "[ . 1 . 2 ]" 1
345 1 78 SER H 1 78 SER QB 3.200 . 4.600 2.578 2.023 3.457 . 0 0 "[ . 1 . 2 ]" 1
346 1 78 SER H 1 79 LYS QB 3.400 . 5.000 3.687 3.265 4.125 . 0 0 "[ . 1 . 2 ]" 1
347 1 78 SER H 1 79 LYS H 2.900 . 3.800 2.262 1.839 2.834 . 0 0 "[ . 1 . 2 ]" 1
348 1 76 ASP HA 1 79 LYS H 3.500 . 5.200 3.622 2.983 4.387 . 0 0 "[ . 1 . 2 ]" 1
349 1 78 SER HA 1 79 LYS H 3.600 . 5.400 3.355 2.869 3.590 . 0 0 "[ . 1 . 2 ]" 1
350 1 79 LYS H 1 79 LYS HA 3.000 . 4.200 2.892 2.758 3.003 . 0 0 "[ . 1 . 2 ]" 1
351 1 79 LYS H 1 79 LYS QB 2.900 . 4.000 2.230 2.006 3.122 . 0 0 "[ . 1 . 2 ]" 1
352 1 79 LYS H 1 79 LYS QG 3.500 . 5.200 3.893 1.841 4.155 . 0 0 "[ . 1 . 2 ]" 1
353 1 79 LYS H 1 80 PHE QB 3.800 . 5.800 4.665 3.918 5.176 . 0 0 "[ . 1 . 2 ]" 1
354 1 79 LYS H 1 80 PHE QD 3.900 . 6.000 4.117 2.287 5.228 . 0 0 "[ . 1 . 2 ]" 1
355 1 79 LYS H 1 80 PHE H 3.000 . 4.000 2.652 1.850 4.138 0.138 10 0 "[ . 1 . 2 ]" 1
356 1 76 ASP HA 1 80 PHE H 3.700 . 5.600 4.340 3.021 5.479 . 0 0 "[ . 1 . 2 ]" 1
357 1 79 LYS HA 1 80 PHE H 3.300 . 4.800 3.431 2.944 3.587 . 0 0 "[ . 1 . 2 ]" 1
358 1 80 PHE H 1 80 PHE QB 3.100 . 4.400 2.729 2.506 3.289 . 0 0 "[ . 1 . 2 ]" 1
359 1 80 PHE H 1 80 PHE QD 3.300 . 4.800 3.146 2.588 3.434 . 0 0 "[ . 1 . 2 ]" 1
360 1 80 PHE H 1 81 ASP H 3.900 . 6.000 4.331 3.780 4.704 . 0 0 "[ . 1 . 2 ]" 1
361 1 6 ALA MB 1 81 ASP H 3.700 . 5.300 2.425 1.821 3.460 . 0 0 "[ . 1 . 2 ]" 1
362 1 6 ALA H 1 81 ASP H 3.600 . 5.400 3.175 2.339 3.949 . 0 0 "[ . 1 . 2 ]" 1
363 1 80 PHE HA 1 81 ASP H 3.000 . 4.200 2.734 2.276 3.275 . 0 0 "[ . 1 . 2 ]" 1
364 1 80 PHE QB 1 81 ASP H 3.700 . 5.600 2.261 1.793 3.020 0.007 2 0 "[ . 1 . 2 ]" 1
365 1 80 PHE QD 1 81 ASP H 4.100 . 6.400 4.030 3.761 4.182 . 0 0 "[ . 1 . 2 ]" 1
366 1 81 ASP H 1 81 ASP QB 3.100 . 4.400 2.413 2.043 2.857 . 0 0 "[ . 1 . 2 ]" 1
367 1 81 ASP H 1 82 VAL HB 3.700 . 5.600 4.487 4.096 5.087 . 0 0 "[ . 1 . 2 ]" 1
368 1 81 ASP H 1 82 VAL QG 4.500 . 7.700 3.843 3.341 4.547 . 0 0 "[ . 1 . 2 ]" 1
369 1 81 ASP H 1 82 VAL H 3.000 . 4.200 2.089 1.799 2.714 0.001 11 0 "[ . 1 . 2 ]" 1
370 1 6 ALA H 1 82 VAL H 3.800 . 5.800 3.533 2.746 4.228 . 0 0 "[ . 1 . 2 ]" 1
371 1 7 VAL HA 1 82 VAL H 3.400 . 5.000 3.224 2.123 3.550 . 0 0 "[ . 1 . 2 ]" 1
372 1 81 ASP HA 1 82 VAL H 3.600 . 5.400 3.524 3.394 3.594 . 0 0 "[ . 1 . 2 ]" 1
373 1 81 ASP QB 1 82 VAL H 3.100 . 4.400 2.749 2.297 3.193 . 0 0 "[ . 1 . 2 ]" 1
374 1 82 VAL H 1 82 VAL HB 3.100 . 4.200 2.617 2.418 3.124 . 0 0 "[ . 1 . 2 ]" 1
375 1 82 VAL H 1 82 VAL QG 3.700 . 5.500 2.614 2.094 2.916 . 0 0 "[ . 1 . 2 ]" 1
376 1 82 VAL HA 1 83 ILE H 2.800 . 3.800 2.291 2.210 2.401 . 0 0 "[ . 1 . 2 ]" 1
377 1 82 VAL QG 1 83 ILE H 3.900 . 6.500 2.354 1.838 3.434 . 0 0 "[ . 1 . 2 ]" 1
378 1 82 VAL H 1 83 ILE H 3.600 . 5.400 4.415 3.919 4.507 . 0 0 "[ . 1 . 2 ]" 1
379 1 83 ILE H 1 83 ILE HB 3.300 . 4.600 2.404 2.216 2.634 . 0 0 "[ . 1 . 2 ]" 1
380 1 9 PHE HA 1 84 ALA H 3.600 . 5.400 3.338 2.718 3.784 . 0 0 "[ . 1 . 2 ]" 1
381 1 83 ILE HA 1 84 ALA H 3.100 . 4.400 2.235 2.214 2.280 . 0 0 "[ . 1 . 2 ]" 1
382 1 83 ILE MG 1 84 ALA H 3.900 . 5.700 2.677 2.141 3.196 . 0 0 "[ . 1 . 2 ]" 1
383 1 84 ALA HA 1 85 ALA H 2.800 . 3.800 2.244 2.201 2.414 . 0 0 "[ . 1 . 2 ]" 1
384 1 84 ALA MB 1 85 ALA H 3.800 . 6.300 3.175 2.691 3.456 . 0 0 "[ . 1 . 2 ]" 1
385 1 85 ALA H 1 107 VAL QG 4.400 . 6.500 3.707 2.988 4.646 . 0 0 "[ . 1 . 2 ]" 1
386 1 85 ALA H 1 108 LEU HA 3.700 . 5.600 2.733 2.264 3.120 . 0 0 "[ . 1 . 2 ]" 1
387 1 85 ALA H 1 108 LEU QD 4.400 . 7.500 4.116 3.505 4.885 . 0 0 "[ . 1 . 2 ]" 1
388 1 11 CYS HA 1 86 LEU H 4.300 . 6.800 2.809 2.095 3.450 . 0 0 "[ . 1 . 2 ]" 1
389 1 85 ALA HA 1 86 LEU H 3.200 . 4.600 2.274 2.213 2.401 . 0 0 "[ . 1 . 2 ]" 1
390 1 85 ALA MB 1 86 LEU H 4.400 . 5.500 3.128 2.639 3.589 . 0 0 "[ . 1 . 2 ]" 1
391 1 86 LEU H 1 86 LEU QB 3.500 . 5.200 2.034 1.922 2.257 . 0 0 "[ . 1 . 2 ]" 1
392 1 86 LEU H 1 86 LEU QD 4.100 . 6.300 2.688 1.837 3.399 . 0 0 "[ . 1 . 2 ]" 1
393 1 86 LEU H 1 90 ILE MG 4.200 . 7.100 3.551 2.654 4.530 . 0 0 "[ . 1 . 2 ]" 1
394 1 85 ALA MB 1 87 ASP H 3.700 . 6.100 3.719 2.560 4.703 . 0 0 "[ . 1 . 2 ]" 1
395 1 87 ASP H 1 88 GLN H 3.900 . 6.000 4.516 4.256 4.690 . 0 0 "[ . 1 . 2 ]" 1
396 1 87 ASP H 1 90 ILE H 3.600 . 5.400 4.579 4.303 5.008 . 0 0 "[ . 1 . 2 ]" 1
397 1 87 ASP H 1 91 LEU H 3.700 . 5.600 5.227 4.202 5.605 0.005 5 0 "[ . 1 . 2 ]" 1
398 1 87 ASP H 1 108 LEU QD 3.800 . 6.300 4.117 2.192 4.673 . 0 0 "[ . 1 . 2 ]" 1
399 1 87 ASP HA 1 88 GLN H 3.100 . 4.400 2.621 2.390 2.973 . 0 0 "[ . 1 . 2 ]" 1
400 1 87 ASP QB 1 88 GLN H 3.100 . 4.400 2.451 1.848 3.308 . 0 0 "[ . 1 . 2 ]" 1
401 1 88 GLN H 1 88 GLN QB 3.100 . 4.400 2.180 1.969 2.501 . 0 0 "[ . 1 . 2 ]" 1
402 1 88 GLN H 1 88 GLN QG 3.400 . 3.800 2.790 1.996 3.327 . 0 0 "[ . 1 . 2 ]" 1
403 1 88 GLN H 1 89 SER H 3.300 . 4.600 2.410 2.037 2.713 . 0 0 "[ . 1 . 2 ]" 1
404 1 88 GLN H 1 108 LEU QD 4.400 . 5.900 3.842 3.169 4.331 . 0 0 "[ . 1 . 2 ]" 1
405 1 88 GLN QE 1 108 LEU QD 4.400 . 5.900 3.013 1.971 3.821 . 0 0 "[ . 1 . 2 ]" 1
406 1 87 ASP QB 1 89 SER H 3.900 . 6.000 2.971 2.452 4.338 . 0 0 "[ . 1 . 2 ]" 1
407 1 88 GLN QB 1 89 SER H 3.300 . 4.800 2.530 1.908 2.847 . 0 0 "[ . 1 . 2 ]" 1
408 1 89 SER H 1 89 SER QB 3.000 . 4.000 2.283 1.940 2.814 . 0 0 "[ . 1 . 2 ]" 1
409 1 89 SER H 1 90 ILE HB 3.600 . 5.400 5.232 4.901 5.400 0.000 12 0 "[ . 1 . 2 ]" 1
410 1 89 SER H 1 91 LEU H 3.900 . 6.000 4.529 4.130 4.940 . 0 0 "[ . 1 . 2 ]" 1
411 1 87 ASP HA 1 90 ILE H 3.800 . 5.800 5.301 4.956 5.599 . 0 0 "[ . 1 . 2 ]" 1
412 1 90 ILE H 1 90 ILE HB 3.000 . 4.200 2.500 2.174 2.625 . 0 0 "[ . 1 . 2 ]" 1
413 1 90 ILE H 1 90 ILE QG 3.400 . 5.000 2.724 1.895 3.931 . 0 0 "[ . 1 . 2 ]" 1
414 1 90 ILE H 1 90 ILE MG 4.000 . 5.900 3.081 1.833 3.699 . 0 0 "[ . 1 . 2 ]" 1
415 1 90 ILE H 1 91 LEU H 3.600 . 5.000 2.824 2.674 3.034 . 0 0 "[ . 1 . 2 ]" 1
416 1 90 ILE HA 1 91 LEU H 3.300 . 4.800 3.580 3.550 3.593 . 0 0 "[ . 1 . 2 ]" 1
417 1 90 ILE HB 1 91 LEU H 3.100 . 4.400 2.803 1.966 3.869 . 0 0 "[ . 1 . 2 ]" 1
418 1 91 LEU H 1 91 LEU QB 3.000 . 4.200 2.115 2.052 2.198 . 0 0 "[ . 1 . 2 ]" 1
419 1 91 LEU H 1 91 LEU QD 3.700 . 6.100 3.536 3.338 3.643 . 0 0 "[ . 1 . 2 ]" 1
420 1 91 LEU H 1 91 LEU HG 3.500 . 5.200 4.325 4.284 4.370 . 0 0 "[ . 1 . 2 ]" 1
421 1 91 LEU H 1 108 LEU QD 4.200 . 7.100 3.945 3.189 4.939 . 0 0 "[ . 1 . 2 ]" 1
422 1 90 ILE H 1 92 SER H 4.100 . 6.400 4.103 3.647 4.588 . 0 0 "[ . 1 . 2 ]" 1
423 1 91 LEU HA 1 92 SER H 3.800 . 5.000 3.540 3.447 3.593 . 0 0 "[ . 1 . 2 ]" 1
424 1 91 LEU QB 1 92 SER H 3.300 . 4.400 2.574 2.017 3.007 . 0 0 "[ . 1 . 2 ]" 1
425 1 91 LEU QD 1 92 SER H 4.100 . 5.900 3.696 3.040 4.106 . 0 0 "[ . 1 . 2 ]" 1
426 1 91 LEU HG 1 92 SER H 3.600 . 5.400 4.332 3.518 4.616 . 0 0 "[ . 1 . 2 ]" 1
427 1 92 SER H 1 92 SER HA 2.900 . 4.000 2.897 2.823 2.972 . 0 0 "[ . 1 . 2 ]" 1
428 1 92 SER H 1 92 SER QB 2.900 . 4.000 2.172 2.013 2.777 . 0 0 "[ . 1 . 2 ]" 1
429 1 92 SER H 1 93 ASP QB 4.100 . 5.800 4.346 4.084 4.808 . 0 0 "[ . 1 . 2 ]" 1
430 1 92 SER H 1 95 ASN H 4.000 . 6.200 4.874 4.503 5.235 . 0 0 "[ . 1 . 2 ]" 1
431 1 90 ILE MD 1 93 ASP H 4.700 . 8.100 6.055 5.716 6.608 . 0 0 "[ . 1 . 2 ]" 1
432 1 90 ILE MG 1 93 ASP H 4.400 . 7.500 4.802 4.540 5.184 . 0 0 "[ . 1 . 2 ]" 1
433 1 92 SER HA 1 93 ASP H 3.400 . 5.000 3.543 3.451 3.592 . 0 0 "[ . 1 . 2 ]" 1
434 1 93 ASP H 1 93 ASP HA 2.900 . 4.000 2.923 2.786 2.986 . 0 0 "[ . 1 . 2 ]" 1
435 1 93 ASP H 1 93 ASP QB 3.000 . 3.800 2.161 1.925 2.574 . 0 0 "[ . 1 . 2 ]" 1
436 1 93 ASP H 1 94 ILE HB 3.600 . 5.200 4.624 4.247 5.158 . 0 0 "[ . 1 . 2 ]" 1
437 1 93 ASP H 1 94 ILE H 3.100 . 4.400 2.646 2.246 3.083 . 0 0 "[ . 1 . 2 ]" 1
438 1 93 ASP H 1 95 ASN H 3.900 . 6.000 4.003 3.653 4.512 . 0 0 "[ . 1 . 2 ]" 1
439 1 91 LEU HA 1 94 ILE H 3.900 . 6.000 4.004 3.513 4.610 . 0 0 "[ . 1 . 2 ]" 1
440 1 93 ASP HA 1 94 ILE H 3.500 . 5.200 3.576 3.455 3.595 . 0 0 "[ . 1 . 2 ]" 1
441 1 93 ASP QB 1 94 ILE H 3.400 . 4.800 2.310 1.981 3.001 . 0 0 "[ . 1 . 2 ]" 1
442 1 94 ILE H 1 94 ILE HB 2.800 . 3.800 2.295 2.105 2.665 . 0 0 "[ . 1 . 2 ]" 1
443 1 94 ILE H 1 94 ILE QG 3.200 . 4.400 3.467 1.736 3.909 0.064 12 0 "[ . 1 . 2 ]" 1
444 1 94 ILE H 1 94 ILE MG 3.900 . 6.100 2.601 2.104 3.692 . 0 0 "[ . 1 . 2 ]" 1
445 1 91 LEU QD 1 95 ASN H 4.200 . 7.100 4.899 4.387 5.240 . 0 0 "[ . 1 . 2 ]" 1
446 1 94 ILE HB 1 95 ASN H 2.900 . 4.000 3.448 2.126 3.887 . 0 0 "[ . 1 . 2 ]" 1
447 1 94 ILE QG 1 95 ASN H 3.400 . 5.000 3.903 3.615 4.466 . 0 0 "[ . 1 . 2 ]" 1
448 1 94 ILE MG 1 95 ASN H 4.200 . 7.100 2.116 1.747 3.457 0.053 9 0 "[ . 1 . 2 ]" 1
449 1 95 ASN H 1 95 ASN HA 3.000 . 4.200 2.890 2.846 2.958 . 0 0 "[ . 1 . 2 ]" 1
450 1 95 ASN H 1 95 ASN QB 2.800 . 3.800 2.130 1.964 2.465 . 0 0 "[ . 1 . 2 ]" 1
451 1 95 ASN H 1 95 ASN QD 4.000 . 5.400 3.941 2.906 4.620 . 0 0 "[ . 1 . 2 ]" 1
452 1 95 ASN H 1 96 SER QB 3.500 . 5.200 4.174 3.833 4.631 . 0 0 "[ . 1 . 2 ]" 1
453 1 95 ASN H 1 96 SER H 3.100 . 4.400 2.575 2.290 2.695 . 0 0 "[ . 1 . 2 ]" 1
454 1 91 LEU QD 1 95 ASN QD 4.600 . 5.500 3.349 2.521 3.632 . 0 0 "[ . 1 . 2 ]" 1
455 1 91 LEU HG 1 95 ASN QD 3.600 . 4.800 3.623 1.885 4.188 . 0 0 "[ . 1 . 2 ]" 1
456 1 93 ASP HA 1 96 SER H 3.200 . 4.600 3.358 3.138 3.586 . 0 0 "[ . 1 . 2 ]" 1
457 1 95 ASN HA 1 96 SER H 3.400 . 5.000 3.450 3.388 3.540 . 0 0 "[ . 1 . 2 ]" 1
458 1 95 ASN QB 1 96 SER H 3.300 . 4.800 3.122 2.695 3.740 . 0 0 "[ . 1 . 2 ]" 1
459 1 96 SER H 1 96 SER HA 2.900 . 4.000 2.921 2.866 2.973 . 0 0 "[ . 1 . 2 ]" 1
460 1 96 SER H 1 96 SER QB 3.000 . 3.600 2.087 1.926 2.326 . 0 0 "[ . 1 . 2 ]" 1
461 1 96 SER H 1 97 MET H 3.000 . 4.200 2.493 2.338 2.655 . 0 0 "[ . 1 . 2 ]" 1
462 1 96 SER H 1 98 LYS H 3.700 . 5.600 3.995 3.675 4.572 . 0 0 "[ . 1 . 2 ]" 1
463 1 94 ILE HA 1 97 MET H 3.600 . 5.400 3.733 3.384 4.213 . 0 0 "[ . 1 . 2 ]" 1
464 1 95 ASN H 1 97 MET H 4.200 . 6.600 4.248 4.009 4.538 . 0 0 "[ . 1 . 2 ]" 1
465 1 96 SER HA 1 97 MET H 3.400 . 5.000 3.443 3.265 3.566 . 0 0 "[ . 1 . 2 ]" 1
466 1 97 MET H 1 97 MET HA 3.000 . 4.200 2.988 2.941 3.004 . 0 0 "[ . 1 . 2 ]" 1
467 1 97 MET H 1 97 MET QB 3.100 . 4.400 2.698 2.405 3.037 . 0 0 "[ . 1 . 2 ]" 1
468 1 97 MET H 1 97 MET QG 3.300 . 4.000 1.976 1.832 2.224 . 0 0 "[ . 1 . 2 ]" 1
469 1 97 MET H 1 98 LYS QG 3.300 . 4.800 3.709 3.322 4.273 . 0 0 "[ . 1 . 2 ]" 1
470 1 97 MET H 1 98 LYS H 2.700 . 3.600 2.112 1.864 2.394 . 0 0 "[ . 1 . 2 ]" 1
471 1 95 ASN HA 1 98 LYS H 3.300 . 4.800 3.352 2.905 3.548 . 0 0 "[ . 1 . 2 ]" 1
472 1 95 ASN H 1 98 LYS H 4.200 . 6.600 4.904 4.420 5.179 . 0 0 "[ . 1 . 2 ]" 1
473 1 97 MET HA 1 98 LYS H 3.300 . 4.800 3.521 3.405 3.584 . 0 0 "[ . 1 . 2 ]" 1
474 1 97 MET QB 1 98 LYS H 3.500 . 5.200 3.266 2.216 3.699 . 0 0 "[ . 1 . 2 ]" 1
475 1 98 LYS H 1 98 LYS HA 3.000 . 3.800 2.778 2.734 2.862 . 0 0 "[ . 1 . 2 ]" 1
476 1 98 LYS H 1 98 LYS QE 3.800 . 5.800 4.477 4.313 4.746 . 0 0 "[ . 1 . 2 ]" 1
477 1 98 LYS H 1 98 LYS QG 3.400 . 4.400 2.309 2.099 2.591 . 0 0 "[ . 1 . 2 ]" 1
478 1 99 PRO QB 1 100 SER H 3.200 . 4.400 2.147 1.859 3.716 . 0 0 "[ . 1 . 2 ]" 1
479 1 100 SER H 1 100 SER HA 3.000 . 4.000 2.938 2.369 3.002 . 0 0 "[ . 1 . 2 ]" 1
480 1 100 SER H 1 100 SER QB 3.000 . 3.600 2.458 2.113 2.966 . 0 0 "[ . 1 . 2 ]" 1
481 1 100 SER H 1 101 ASN H 3.300 . 4.800 2.491 1.795 4.014 0.005 20 0 "[ . 1 . 2 ]" 1
482 1 99 PRO QB 1 101 ASN H 3.500 . 5.200 2.688 2.183 4.579 . 0 0 "[ . 1 . 2 ]" 1
483 1 100 SER HA 1 101 ASN H 2.700 . 3.400 3.189 2.272 3.476 0.076 3 0 "[ . 1 . 2 ]" 1
484 1 101 ASN H 1 101 ASN QB 3.100 . 4.000 2.800 2.077 3.403 . 0 0 "[ . 1 . 2 ]" 1
485 1 101 ASN H 1 102 CYS H 3.200 . 4.000 3.603 2.966 4.008 0.008 12 0 "[ . 1 . 2 ]" 1
486 1 100 SER H 1 101 ASN QD 3.900 . 6.000 4.112 2.423 5.346 . 0 0 "[ . 1 . 2 ]" 1
487 1 101 ASN QB 1 102 CYS H 3.200 . 4.600 3.584 1.815 4.067 . 0 0 "[ . 1 . 2 ]" 1
488 1 102 CYS H 1 102 CYS QB 3.300 . 4.800 2.814 2.014 3.271 . 0 0 "[ . 1 . 2 ]" 1
489 1 102 CYS H 1 103 ARG HA 3.600 . 5.400 4.885 4.631 5.436 0.036 12 0 "[ . 1 . 2 ]" 1
490 1 78 SER HA 1 103 ARG H 3.300 . 4.800 4.545 3.341 4.793 . 0 0 "[ . 1 . 2 ]" 1
491 1 102 CYS QB 1 103 ARG H 3.200 . 4.400 2.176 1.871 2.650 . 0 0 "[ . 1 . 2 ]" 1
492 1 103 ARG H 1 103 ARG QB 3.000 . 4.200 2.815 2.141 3.213 . 0 0 "[ . 1 . 2 ]" 1
493 1 103 ARG H 1 103 ARG QD 3.600 . 5.400 2.265 1.926 2.919 . 0 0 "[ . 1 . 2 ]" 1
494 1 103 ARG H 1 103 ARG HE 4.300 . 6.800 4.689 3.093 5.433 . 0 0 "[ . 1 . 2 ]" 1
495 1 103 ARG H 1 103 ARG QG 3.300 . 4.800 2.545 1.941 3.636 . 0 0 "[ . 1 . 2 ]" 1
496 1 103 ARG H 1 104 ALA H 3.200 . 4.600 2.566 1.880 4.069 . 0 0 "[ . 1 . 2 ]" 1
497 1 104 ALA H 1 104 ALA MB 3.200 . 4.500 2.476 2.236 2.799 . 0 0 "[ . 1 . 2 ]" 1
498 1 82 VAL HA 1 105 LYS H 3.300 . 4.800 2.699 2.305 3.905 . 0 0 "[ . 1 . 2 ]" 1
499 1 83 ILE H 1 105 LYS H 3.600 . 5.400 3.716 3.160 4.409 . 0 0 "[ . 1 . 2 ]" 1
500 1 104 ALA HA 1 105 LYS H 2.700 . 3.400 2.528 2.211 2.959 . 0 0 "[ . 1 . 2 ]" 1
501 1 104 ALA MB 1 105 LYS H 3.800 . 6.300 2.506 1.930 3.305 . 0 0 "[ . 1 . 2 ]" 1
502 1 105 LYS H 1 105 LYS QB 3.200 . 4.400 2.524 2.120 3.264 . 0 0 "[ . 1 . 2 ]" 1
503 1 105 LYS H 1 106 VAL H 4.000 . 6.200 4.437 3.975 4.638 . 0 0 "[ . 1 . 2 ]" 1
504 1 105 LYS HA 1 106 VAL H 2.700 . 3.600 2.354 2.225 2.529 . 0 0 "[ . 1 . 2 ]" 1
505 1 105 LYS QB 1 106 VAL H 3.600 . 5.400 3.233 2.520 3.969 . 0 0 "[ . 1 . 2 ]" 1
506 1 105 LYS QG 1 106 VAL H 3.800 . 5.800 2.802 1.885 4.117 . 0 0 "[ . 1 . 2 ]" 1
507 1 106 VAL H 1 106 VAL HB 3.000 . 4.200 2.935 2.287 3.755 . 0 0 "[ . 1 . 2 ]" 1
508 1 106 VAL H 1 106 VAL QG 3.700 . 4.700 2.269 1.784 2.872 0.016 4 0 "[ . 1 . 2 ]" 1
509 1 85 ALA H 1 107 VAL H 3.600 . 5.400 3.849 3.447 4.245 . 0 0 "[ . 1 . 2 ]" 1
510 1 106 VAL HA 1 107 VAL H 2.700 . 3.600 2.259 2.210 2.459 . 0 0 "[ . 1 . 2 ]" 1
511 1 106 VAL QG 1 107 VAL H 3.800 . 5.500 2.892 1.854 3.664 . 0 0 "[ . 1 . 2 ]" 1
512 1 106 VAL H 1 107 VAL H 3.400 . 5.000 4.452 4.065 4.587 . 0 0 "[ . 1 . 2 ]" 1
513 1 107 VAL H 1 107 VAL HB 3.500 . 5.200 3.369 2.543 3.877 . 0 0 "[ . 1 . 2 ]" 1
514 1 107 VAL H 1 107 VAL QG 3.800 . 6.100 2.131 1.787 2.890 0.013 6 0 "[ . 1 . 2 ]" 1
515 1 107 VAL HA 1 108 LEU H 2.900 . 4.000 2.362 2.230 2.497 . 0 0 "[ . 1 . 2 ]" 1
516 1 107 VAL HB 1 108 LEU H 2.900 . 3.600 3.256 2.703 3.635 0.035 12 0 "[ . 1 . 2 ]" 1
517 1 107 VAL QG 1 108 LEU H 4.400 . 7.500 2.795 1.749 3.559 0.051 12 0 "[ . 1 . 2 ]" 1
518 1 108 LEU H 1 108 LEU QB 3.100 . 4.000 2.225 2.081 2.394 . 0 0 "[ . 1 . 2 ]" 1
519 1 84 ALA MB 1 109 PHE H 4.300 . 7.300 4.288 3.266 4.962 . 0 0 "[ . 1 . 2 ]" 1
520 1 85 ALA H 1 109 PHE H 4.000 . 6.200 3.151 2.505 3.683 . 0 0 "[ . 1 . 2 ]" 1
521 1 86 LEU HA 1 109 PHE H 3.800 . 5.800 3.436 2.855 4.026 . 0 0 "[ . 1 . 2 ]" 1
522 1 108 LEU HA 1 109 PHE H 3.000 . 4.200 2.256 2.209 2.359 . 0 0 "[ . 1 . 2 ]" 1
523 1 108 LEU QB 1 109 PHE H 3.700 . 5.600 3.731 3.502 4.017 . 0 0 "[ . 1 . 2 ]" 1
524 1 108 LEU QD 1 109 PHE H 3.800 . 6.300 2.773 1.902 3.835 . 0 0 "[ . 1 . 2 ]" 1
525 1 108 LEU HG 1 109 PHE H 3.700 . 5.600 3.016 1.892 4.522 . 0 0 "[ . 1 . 2 ]" 1
526 1 109 PHE H 1 109 PHE QB 3.300 . 4.800 2.184 1.927 2.655 . 0 0 "[ . 1 . 2 ]" 1
527 1 109 PHE H 1 109 PHE QD 4.300 . 6.800 3.827 2.949 4.403 . 0 0 "[ . 1 . 2 ]" 1
528 1 109 PHE H 1 109 PHE QE 5.100 . 8.400 5.901 5.219 6.419 . 0 0 "[ . 1 . 2 ]" 1
529 1 109 PHE QD 1 110 ASN H 4.400 . 7.000 4.026 2.650 4.561 . 0 0 "[ . 1 . 2 ]" 1
530 1 110 ASN H 1 110 ASN HA 2.700 . 3.600 2.701 2.361 3.000 . 0 0 "[ . 1 . 2 ]" 1
531 1 110 ASN H 1 110 ASN QD 4.000 . 6.200 4.252 2.835 5.232 . 0 0 "[ . 1 . 2 ]" 1
532 1 110 ASN QD 1 115 VAL QG 4.500 . 7.700 3.036 1.730 5.049 0.070 11 0 "[ . 1 . 2 ]" 1
533 1 111 PRO QD 1 113 ASN H 3.400 . 4.600 4.109 4.104 4.117 . 0 0 "[ . 1 . 2 ]" 1
534 1 113 ASN H 1 113 ASN HA 3.000 . 4.200 2.973 2.817 3.004 . 0 0 "[ . 1 . 2 ]" 1
535 1 113 ASN H 1 113 ASN QB 2.700 . 3.600 2.453 2.056 2.709 . 0 0 "[ . 1 . 2 ]" 1
536 1 113 ASN H 1 113 ASN QD 3.800 . 5.800 4.501 3.255 5.047 . 0 0 "[ . 1 . 2 ]" 1
537 1 110 ASN QB 1 114 GLY H 3.700 . 5.600 4.102 3.327 4.990 . 0 0 "[ . 1 . 2 ]" 1
538 1 111 PRO QB 1 114 GLY H 3.800 . 5.800 4.473 3.218 5.171 . 0 0 "[ . 1 . 2 ]" 1
539 1 113 ASN HA 1 114 GLY H 3.600 . 5.400 3.520 3.126 3.593 . 0 0 "[ . 1 . 2 ]" 1
540 1 113 ASN QB 1 114 GLY H 3.800 . 5.800 2.649 2.134 3.616 . 0 0 "[ . 1 . 2 ]" 1
541 1 113 ASN QD 1 114 GLY H 4.100 . 6.400 4.730 2.913 5.458 . 0 0 "[ . 1 . 2 ]" 1
542 1 114 GLY H 1 115 VAL H 3.600 . 5.400 3.320 2.686 4.180 . 0 0 "[ . 1 . 2 ]" 1
543 1 86 LEU QD 1 115 VAL H 4.400 . 6.900 4.337 3.200 5.115 . 0 0 "[ . 1 . 2 ]" 1
544 1 110 ASN QB 1 115 VAL H 4.100 . 6.400 3.797 2.182 5.289 . 0 0 "[ . 1 . 2 ]" 1
545 1 114 GLY QA 1 115 VAL H 2.900 . 4.000 2.301 2.169 2.677 . 0 0 "[ . 1 . 2 ]" 1
546 1 115 VAL H 1 115 VAL HB 3.300 . 4.200 3.082 2.439 3.599 . 0 0 "[ . 1 . 2 ]" 1
547 1 115 VAL H 1 115 VAL QG 3.900 . 6.500 1.994 1.679 2.665 0.121 7 0 "[ . 1 . 2 ]" 1
548 1 115 VAL HA 1 116 ASP H 2.600 . 3.400 2.585 2.212 3.403 0.003 5 0 "[ . 1 . 2 ]" 1
549 1 115 VAL QG 1 116 ASP H 3.700 . 6.100 3.332 2.375 3.721 . 0 0 "[ . 1 . 2 ]" 1
550 1 115 VAL H 1 116 ASP H 4.200 . 6.600 3.798 1.899 4.679 . 0 0 "[ . 1 . 2 ]" 1
551 1 116 ASP H 1 116 ASP QB 3.000 . 4.200 2.661 2.115 3.238 . 0 0 "[ . 1 . 2 ]" 1
552 1 116 ASP H 1 117 ASP H 3.900 . 6.000 3.929 1.926 4.680 . 0 0 "[ . 1 . 2 ]" 1
553 1 17 ARG QD 1 117 ASP H 4.100 . 6.400 5.216 2.995 5.711 . 0 0 "[ . 1 . 2 ]" 1
554 1 17 ARG QH 1 117 ASP H 4.700 . 7.600 4.315 2.194 6.036 . 0 0 "[ . 1 . 2 ]" 1
555 1 116 ASP HA 1 117 ASP H 2.700 . 3.600 2.569 2.221 3.586 . 0 0 "[ . 1 . 2 ]" 1
556 1 117 ASP H 1 117 ASP QB 2.900 . 4.000 2.703 1.996 3.315 . 0 0 "[ . 1 . 2 ]" 1
557 1 119 TYR H 1 119 TYR QB 3.700 . 5.600 2.733 1.924 3.332 . 0 0 "[ . 1 . 2 ]" 1
558 1 119 TYR H 1 119 TYR QD 4.800 . 7.800 3.589 2.234 4.403 . 0 0 "[ . 1 . 2 ]" 1
559 1 119 TYR H 1 120 TYR H 4.000 . 6.200 3.388 1.868 4.706 . 0 0 "[ . 1 . 2 ]" 1
560 1 119 TYR QB 1 120 TYR H 4.000 . 5.400 3.064 1.803 3.867 . 0 0 "[ . 1 . 2 ]" 1
561 1 120 TYR H 1 120 TYR QB 3.500 . 5.200 2.586 1.923 3.089 . 0 0 "[ . 1 . 2 ]" 1
562 1 120 TYR H 1 120 TYR QD 4.200 . 6.600 3.827 2.293 4.378 . 0 0 "[ . 1 . 2 ]" 1
563 1 120 TYR H 1 121 SER H 3.600 . 5.400 3.145 1.892 4.660 . 0 0 "[ . 1 . 2 ]" 1
564 1 119 TYR QB 1 121 SER H 4.000 . 6.200 4.999 3.976 5.588 . 0 0 "[ . 1 . 2 ]" 1
565 1 120 TYR HA 1 121 SER H 3.200 . 4.600 3.092 2.216 3.591 . 0 0 "[ . 1 . 2 ]" 1
566 1 120 TYR QB 1 121 SER H 3.800 . 5.800 3.010 1.851 4.010 . 0 0 "[ . 1 . 2 ]" 1
567 1 120 TYR QD 1 121 SER H 4.800 . 7.800 3.995 2.213 4.871 . 0 0 "[ . 1 . 2 ]" 1
568 1 121 SER H 1 121 SER HA 2.800 . 3.800 2.818 2.363 3.003 . 0 0 "[ . 1 . 2 ]" 1
569 1 121 SER H 1 121 SER QB 3.300 . 4.800 2.633 1.963 3.109 . 0 0 "[ . 1 . 2 ]" 1
570 1 121 SER H 1 122 SER H 4.000 . 6.200 4.120 2.550 4.682 . 0 0 "[ . 1 . 2 ]" 1
571 1 122 SER H 1 122 SER QB 3.100 . 4.400 2.723 1.991 3.242 . 0 0 "[ . 1 . 2 ]" 1
572 1 122 SER H 1 123 ASP H 3.300 . 4.400 3.051 1.868 4.402 0.002 16 0 "[ . 1 . 2 ]" 1
573 1 122 SER HA 1 123 ASP H 3.300 . 4.800 2.984 2.348 3.526 . 0 0 "[ . 1 . 2 ]" 1
574 1 123 ASP H 1 123 ASP HA 3.000 . 4.200 2.892 2.369 3.003 . 0 0 "[ . 1 . 2 ]" 1
575 1 123 ASP H 1 123 ASP QB 3.300 . 4.800 2.362 1.944 2.948 . 0 0 "[ . 1 . 2 ]" 1
576 1 122 SER HA 1 124 GLY H 3.900 . 6.000 3.946 3.049 5.833 . 0 0 "[ . 1 . 2 ]" 1
577 1 123 ASP HA 1 124 GLY H 3.400 . 5.000 2.904 2.210 3.530 . 0 0 "[ . 1 . 2 ]" 1
578 1 123 ASP QB 1 124 GLY H 4.100 . 6.400 3.616 2.828 4.004 . 0 0 "[ . 1 . 2 ]" 1
579 1 123 ASP H 1 124 GLY H 3.200 . 4.600 2.995 1.854 4.555 . 0 0 "[ . 1 . 2 ]" 1
580 1 124 GLY H 1 125 PHE QD 4.500 . 7.200 4.104 2.927 5.086 . 0 0 "[ . 1 . 2 ]" 1
581 1 124 GLY H 1 125 PHE H 3.600 . 5.400 2.202 1.866 3.250 . 0 0 "[ . 1 . 2 ]" 1
582 1 124 GLY QA 1 125 PHE H 3.000 . 4.200 2.737 2.432 2.869 . 0 0 "[ . 1 . 2 ]" 1
583 1 125 PHE H 1 125 PHE QB 3.400 . 5.000 2.445 2.112 2.708 . 0 0 "[ . 1 . 2 ]" 1
584 1 125 PHE H 1 125 PHE QD 3.500 . 5.200 2.699 1.952 3.152 . 0 0 "[ . 1 . 2 ]" 1
585 1 127 THR H 1 128 MET H 3.000 . 4.200 2.859 2.672 3.011 . 0 0 "[ . 1 . 2 ]" 1
586 1 125 PHE QB 1 128 MET H 4.300 . 6.800 5.231 4.837 5.493 . 0 0 "[ . 1 . 2 ]" 1
587 1 127 THR MG 1 128 MET H 4.400 . 6.300 3.317 1.797 3.959 0.003 3 0 "[ . 1 . 2 ]" 1
588 1 128 MET H 1 128 MET QG 3.100 . 4.200 3.788 3.622 3.878 . 0 0 "[ . 1 . 2 ]" 1
589 1 128 MET H 1 129 PHE H 3.400 . 5.000 3.212 2.938 3.387 . 0 0 "[ . 1 . 2 ]" 1
590 1 126 PRO HA 1 129 PHE H 3.700 . 5.600 4.208 3.772 4.571 . 0 0 "[ . 1 . 2 ]" 1
591 1 129 PHE H 1 129 PHE QB 3.100 . 4.400 2.162 2.041 2.191 . 0 0 "[ . 1 . 2 ]" 1
592 1 129 PHE H 1 129 PHE QD 3.800 . 5.800 4.100 3.794 4.148 . 0 0 "[ . 1 . 2 ]" 1
593 1 129 PHE HA 1 130 ALA H 3.800 . 5.800 3.576 3.484 3.595 . 0 0 "[ . 1 . 2 ]" 1
594 1 129 PHE QB 1 130 ALA H 3.400 . 4.800 2.344 1.999 2.891 . 0 0 "[ . 1 . 2 ]" 1
595 1 129 PHE QD 1 130 ALA H 3.800 . 5.800 3.140 2.275 3.980 . 0 0 "[ . 1 . 2 ]" 1
596 1 130 ALA H 1 130 ALA HA 3.000 . 4.200 2.795 2.762 2.872 . 0 0 "[ . 1 . 2 ]" 1
597 1 130 ALA H 1 130 ALA MB 3.200 . 4.100 2.055 1.906 2.174 . 0 0 "[ . 1 . 2 ]" 1
598 1 130 ALA H 1 131 SER H 3.000 . 4.200 2.943 2.686 3.244 . 0 0 "[ . 1 . 2 ]" 1
599 1 130 ALA H 1 132 ILE H 3.900 . 6.000 4.392 3.797 5.111 . 0 0 "[ . 1 . 2 ]" 1
600 1 128 MET HA 1 131 SER H 3.100 . 4.400 3.903 3.504 4.359 . 0 0 "[ . 1 . 2 ]" 1
601 1 130 ALA HA 1 131 SER H 2.900 . 4.000 3.559 3.493 3.593 . 0 0 "[ . 1 . 2 ]" 1
602 1 130 ALA MB 1 131 SER H 3.500 . 4.700 2.432 1.988 2.923 . 0 0 "[ . 1 . 2 ]" 1
603 1 131 SER H 1 132 ILE QG 3.800 . 5.800 5.072 4.366 5.317 . 0 0 "[ . 1 . 2 ]" 1
604 1 131 SER H 1 132 ILE H 3.300 . 4.800 2.602 2.278 2.830 . 0 0 "[ . 1 . 2 ]" 1
605 1 24 ILE MD 1 132 ILE H 4.900 . 8.500 4.540 3.769 5.134 . 0 0 "[ . 1 . 2 ]" 1
606 1 115 VAL QG 1 132 ILE H 4.300 . 7.300 3.359 2.556 4.084 . 0 0 "[ . 1 . 2 ]" 1
607 1 128 MET HA 1 132 ILE H 3.600 . 5.400 4.006 3.734 4.334 . 0 0 "[ . 1 . 2 ]" 1
608 1 129 PHE QD 1 132 ILE H 4.900 . 8.000 5.306 4.795 5.465 . 0 0 "[ . 1 . 2 ]" 1
609 1 129 PHE QE 1 132 ILE H 4.700 . 7.600 6.707 6.405 6.836 . 0 0 "[ . 1 . 2 ]" 1
610 1 130 ALA MB 1 132 ILE H 4.700 . 8.100 4.537 4.069 5.141 . 0 0 "[ . 1 . 2 ]" 1
611 1 131 SER HA 1 132 ILE H 3.600 . 5.400 3.569 3.512 3.594 . 0 0 "[ . 1 . 2 ]" 1
612 1 132 ILE H 1 132 ILE HB 3.200 . 4.600 2.340 1.924 3.060 . 0 0 "[ . 1 . 2 ]" 1
613 1 132 ILE H 1 132 ILE QG 3.100 . 4.400 3.058 2.156 3.708 . 0 0 "[ . 1 . 2 ]" 1
614 1 132 ILE H 1 133 SER H 3.300 . 4.600 2.869 2.551 3.226 . 0 0 "[ . 1 . 2 ]" 1
615 1 24 ILE MD 1 133 SER H 4.300 . 6.300 2.978 2.204 3.643 . 0 0 "[ . 1 . 2 ]" 1
616 1 24 ILE MG 1 133 SER H 4.500 . 7.100 4.732 4.397 5.083 . 0 0 "[ . 1 . 2 ]" 1
617 1 130 ALA HA 1 133 SER H 3.500 . 5.200 3.993 3.779 4.261 . 0 0 "[ . 1 . 2 ]" 1
618 1 132 ILE HA 1 133 SER H 2.900 . 4.000 3.533 3.428 3.590 . 0 0 "[ . 1 . 2 ]" 1
619 1 132 ILE HB 1 133 SER H 3.300 . 4.600 3.250 2.196 4.405 . 0 0 "[ . 1 . 2 ]" 1
620 1 132 ILE QG 1 133 SER H 3.700 . 5.600 3.995 3.004 4.520 . 0 0 "[ . 1 . 2 ]" 1
621 1 132 ILE MG 1 133 SER H 4.100 . 6.700 2.435 2.024 2.908 . 0 0 "[ . 1 . 2 ]" 1
622 1 133 SER HA 1 134 LYS H 3.600 . 5.200 3.575 3.491 3.609 . 0 0 "[ . 1 . 2 ]" 1
623 1 133 SER QB 1 134 LYS H 3.400 . 5.000 2.722 2.061 3.547 . 0 0 "[ . 1 . 2 ]" 1
624 1 133 SER H 1 134 LYS H 3.100 . 4.400 2.467 2.125 2.852 . 0 0 "[ . 1 . 2 ]" 1
625 1 134 LYS H 1 134 LYS HA 2.700 . 3.600 2.837 2.768 2.954 . 0 0 "[ . 1 . 2 ]" 1
626 1 134 LYS H 1 134 LYS QB 2.700 . 3.600 2.128 1.932 2.272 . 0 0 "[ . 1 . 2 ]" 1
627 1 134 LYS H 1 134 LYS QG 3.500 . 5.000 3.480 2.252 3.977 . 0 0 "[ . 1 . 2 ]" 1
628 1 134 LYS H 1 135 GLU H 3.100 . 4.400 2.729 2.333 2.989 . 0 0 "[ . 1 . 2 ]" 1
629 1 132 ILE HA 1 135 GLU H 3.600 . 5.400 4.132 3.660 4.612 . 0 0 "[ . 1 . 2 ]" 1
630 1 134 LYS HA 1 135 GLU H 3.400 . 5.000 3.478 3.348 3.582 . 0 0 "[ . 1 . 2 ]" 1
631 1 135 GLU H 1 135 GLU QB 2.900 . 4.000 2.296 2.022 2.558 . 0 0 "[ . 1 . 2 ]" 1
632 1 135 GLU H 1 135 GLU QG 3.200 . 4.600 3.553 2.455 4.113 . 0 0 "[ . 1 . 2 ]" 1
633 1 135 GLU H 1 136 MET QG 4.000 . 6.200 4.990 3.185 5.566 . 0 0 "[ . 1 . 2 ]" 1
634 1 135 GLU H 1 136 MET H 3.200 . 4.200 2.464 2.048 3.265 . 0 0 "[ . 1 . 2 ]" 1
635 1 24 ILE QG 1 136 MET H 3.900 . 6.000 5.207 4.845 5.371 . 0 0 "[ . 1 . 2 ]" 1
636 1 133 SER HA 1 136 MET H 3.700 . 5.600 3.440 2.879 4.161 . 0 0 "[ . 1 . 2 ]" 1
637 1 133 SER QB 1 136 MET H 4.000 . 6.200 4.868 4.418 5.547 . 0 0 "[ . 1 . 2 ]" 1
638 1 135 GLU QB 1 136 MET H 3.600 . 5.400 3.414 2.626 4.032 . 0 0 "[ . 1 . 2 ]" 1
639 1 135 GLU QG 1 136 MET H 3.700 . 5.600 4.440 4.008 4.678 . 0 0 "[ . 1 . 2 ]" 1
640 1 136 MET H 1 136 MET QG 3.100 . 4.400 3.437 1.819 3.996 . 0 0 "[ . 1 . 2 ]" 1
641 1 136 MET H 1 137 LYS QG 3.500 . 5.200 4.486 3.612 4.658 . 0 0 "[ . 1 . 2 ]" 1
642 1 136 MET H 1 137 LYS H 3.600 . 5.400 2.319 1.891 2.840 . 0 0 "[ . 1 . 2 ]" 1
643 1 137 LYS H 1 137 LYS QB 2.900 . 4.000 2.033 1.973 2.197 . 0 0 "[ . 1 . 2 ]" 1
644 1 137 LYS H 1 137 LYS QG 3.600 . 5.400 3.217 2.610 3.451 . 0 0 "[ . 1 . 2 ]" 1
645 1 137 LYS H 1 138 PRO QB 3.600 . 5.400 4.843 4.778 4.864 . 0 0 "[ . 1 . 2 ]" 1
646 1 137 LYS H 1 138 PRO QD 3.300 . 4.800 1.706 1.642 1.762 0.158 17 0 "[ . 1 . 2 ]" 1
647 1 138 PRO HA 1 139 PHE H 3.100 . 4.400 3.355 3.270 3.436 . 0 0 "[ . 1 . 2 ]" 1
648 1 138 PRO QG 1 139 PHE H 3.100 . 4.400 3.261 3.010 3.545 . 0 0 "[ . 1 . 2 ]" 1
649 1 139 PHE H 1 139 PHE QB 3.200 . 4.200 2.221 2.117 2.316 . 0 0 "[ . 1 . 2 ]" 1
650 1 139 PHE H 1 139 PHE QD 4.200 . 6.600 4.055 3.860 4.212 . 0 0 "[ . 1 . 2 ]" 1
651 1 139 PHE H 1 139 PHE QE 4.400 . 7.000 6.128 5.996 6.249 . 0 0 "[ . 1 . 2 ]" 1
652 1 139 PHE H 1 140 LEU H 3.500 . 4.600 2.613 2.243 3.018 . 0 0 "[ . 1 . 2 ]" 1
653 1 137 LYS HA 1 140 LEU H 3.400 . 5.000 4.419 3.810 4.956 . 0 0 "[ . 1 . 2 ]" 1
654 1 139 PHE QB 1 140 LEU H 3.700 . 5.200 2.101 1.860 2.464 . 0 0 "[ . 1 . 2 ]" 1
655 1 139 PHE QD 1 140 LEU H 4.200 . 6.600 2.301 1.893 2.980 . 0 0 "[ . 1 . 2 ]" 1
656 1 139 PHE QE 1 140 LEU H 4.400 . 7.000 4.536 4.073 5.229 . 0 0 "[ . 1 . 2 ]" 1
657 1 140 LEU H 1 140 LEU QB 3.500 . 4.800 2.187 1.915 2.472 . 0 0 "[ . 1 . 2 ]" 1
658 1 140 LEU H 1 140 LEU QD 3.800 . 6.100 3.292 2.134 3.680 . 0 0 "[ . 1 . 2 ]" 1
659 1 140 LEU H 1 140 LEU HG 3.100 . 4.400 3.733 1.867 4.419 0.019 3 0 "[ . 1 . 2 ]" 1
660 1 140 LEU QB 1 141 THR H 3.700 . 5.200 2.893 2.062 3.691 . 0 0 "[ . 1 . 2 ]" 1
661 1 140 LEU QD 1 141 THR H 4.500 . 6.300 3.512 2.420 4.348 . 0 0 "[ . 1 . 2 ]" 1
662 1 140 LEU HG 1 141 THR H 4.200 . 6.600 3.691 1.852 5.295 . 0 0 "[ . 1 . 2 ]" 1
663 1 140 LEU H 1 141 THR H 3.500 . 5.200 2.724 2.408 3.217 . 0 0 "[ . 1 . 2 ]" 1
664 1 141 THR H 1 141 THR HB 3.100 . 4.400 2.393 2.173 2.731 . 0 0 "[ . 1 . 2 ]" 1
665 1 141 THR H 1 141 THR MG 3.900 . 5.500 3.691 3.637 3.737 . 0 0 "[ . 1 . 2 ]" 1
666 1 141 THR H 1 142 GLU H 3.300 . 4.400 2.669 2.329 3.311 . 0 0 "[ . 1 . 2 ]" 1
667 1 141 THR H 1 145 LEU QD 4.200 . 7.100 5.186 4.896 5.291 . 0 0 "[ . 1 . 2 ]" 1
668 1 141 THR HB 1 142 GLU H 3.000 . 4.200 2.717 2.075 3.267 . 0 0 "[ . 1 . 2 ]" 1
669 1 141 THR MG 1 142 GLU H 4.100 . 6.900 3.436 2.273 4.203 . 0 0 "[ . 1 . 2 ]" 1
670 1 142 GLU H 1 142 GLU HA 2.900 . 3.600 2.988 2.972 2.992 . 0 0 "[ . 1 . 2 ]" 1
671 1 142 GLU H 1 142 GLU QB 2.900 . 3.600 2.292 2.168 2.556 . 0 0 "[ . 1 . 2 ]" 1
672 1 142 GLU H 1 143 HIS QB 3.600 . 5.400 3.807 3.607 4.473 . 0 0 "[ . 1 . 2 ]" 1
673 1 142 GLU H 1 143 HIS H 3.300 . 4.600 2.236 2.098 2.594 . 0 0 "[ . 1 . 2 ]" 1
674 1 142 GLU H 1 144 GLY H 4.100 . 6.400 4.066 3.553 4.634 . 0 0 "[ . 1 . 2 ]" 1
675 1 142 GLU HA 1 143 HIS H 3.200 . 4.600 3.509 3.272 3.594 . 0 0 "[ . 1 . 2 ]" 1
676 1 142 GLU QB 1 143 HIS H 3.200 . 4.600 2.695 2.142 3.415 . 0 0 "[ . 1 . 2 ]" 1
677 1 143 HIS H 1 143 HIS QB 3.100 . 4.400 2.113 1.955 2.259 . 0 0 "[ . 1 . 2 ]" 1
678 1 143 HIS H 1 143 HIS HD2 3.700 . 5.600 4.866 3.358 5.547 . 0 0 "[ . 1 . 2 ]" 1
679 1 143 HIS H 1 144 GLY H 3.100 . 4.400 2.920 2.300 3.552 . 0 0 "[ . 1 . 2 ]" 1
680 1 143 HIS HA 1 144 GLY H 3.400 . 5.000 3.285 2.622 3.565 . 0 0 "[ . 1 . 2 ]" 1
681 1 143 HIS QB 1 144 GLY H 4.000 . 6.200 3.212 2.594 3.990 . 0 0 "[ . 1 . 2 ]" 1
682 1 144 GLY H 1 145 LEU QB 3.900 . 6.000 3.773 3.186 4.760 . 0 0 "[ . 1 . 2 ]" 1
683 1 144 GLY H 1 145 LEU QD 4.600 . 7.900 4.461 3.012 5.396 . 0 0 "[ . 1 . 2 ]" 1
684 1 144 GLY H 1 145 LEU HG 3.900 . 6.000 5.344 3.713 6.073 0.073 17 0 "[ . 1 . 2 ]" 1
685 1 144 GLY H 1 145 LEU H 3.200 . 4.600 2.299 1.838 2.906 . 0 0 "[ . 1 . 2 ]" 1
686 1 140 LEU QD 1 145 LEU H 4.300 . 7.300 4.296 2.399 5.359 . 0 0 "[ . 1 . 2 ]" 1
687 1 142 GLU HA 1 145 LEU H 3.200 . 4.600 4.580 4.208 4.639 0.039 14 0 "[ . 1 . 2 ]" 1
688 1 145 LEU H 1 145 LEU QB 2.900 . 4.000 2.671 2.370 2.930 . 0 0 "[ . 1 . 2 ]" 1
689 1 145 LEU H 1 145 LEU QD 3.500 . 5.700 3.713 2.461 4.124 . 0 0 "[ . 1 . 2 ]" 1
690 1 145 LEU H 1 146 ILE H 2.900 . 3.600 2.662 1.853 3.425 . 0 0 "[ . 1 . 2 ]" 1
691 1 144 GLY H 1 146 ILE H 3.500 . 5.200 4.553 3.643 5.221 0.021 10 0 "[ . 1 . 2 ]" 1
692 1 145 LEU QB 1 146 ILE H 3.100 . 4.400 2.476 1.787 3.957 0.013 1 0 "[ . 1 . 2 ]" 1
693 1 146 ILE H 1 146 ILE HA 2.700 . 3.600 2.879 2.363 3.001 . 0 0 "[ . 1 . 2 ]" 1
694 1 146 ILE H 1 146 ILE HB 2.900 . 4.000 3.266 2.444 3.835 . 0 0 "[ . 1 . 2 ]" 1
695 1 146 ILE H 1 146 ILE QG 3.500 . 5.200 3.589 1.835 4.499 . 0 0 "[ . 1 . 2 ]" 1
696 1 146 ILE H 1 146 ILE MG 3.100 . 4.900 2.750 1.808 4.042 . 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 643
_Distance_constraint_stats_list.Viol_count 328
_Distance_constraint_stats_list.Viol_total 362.615
_Distance_constraint_stats_list.Viol_max 0.298
_Distance_constraint_stats_list.Viol_rms 0.0116
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0526
_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 3 GLU 0.374 0.095 5 0 "[ . 1 . 2 ]"
1 4 LYS 0.528 0.050 3 0 "[ . 1 . 2 ]"
1 5 LYS 0.571 0.050 3 0 "[ . 1 . 2 ]"
1 6 ALA 2.240 0.204 3 0 "[ . 1 . 2 ]"
1 7 VAL 0.826 0.161 17 0 "[ . 1 . 2 ]"
1 8 LEU 2.892 0.298 5 0 "[ . 1 . 2 ]"
1 9 PHE 0.000 0.000 5 0 "[ . 1 . 2 ]"
1 10 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 11 CYS 0.044 0.019 10 0 "[ . 1 . 2 ]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 14 ASN 1.066 0.100 3 0 "[ . 1 . 2 ]"
1 15 ILE 0.309 0.081 12 0 "[ . 1 . 2 ]"
1 16 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 17 ARG 0.455 0.169 6 0 "[ . 1 . 2 ]"
1 18 SER 0.091 0.069 1 0 "[ . 1 . 2 ]"
1 19 PRO 0.216 0.099 13 0 "[ . 1 . 2 ]"
1 20 ALA 0.170 0.116 11 0 "[ . 1 . 2 ]"
1 21 CYS 0.076 0.073 3 0 "[ . 1 . 2 ]"
1 22 GLU 0.469 0.104 1 0 "[ . 1 . 2 ]"
1 23 GLY 0.804 0.199 13 0 "[ . 1 . 2 ]"
1 24 ILE 0.564 0.129 4 0 "[ . 1 . 2 ]"
1 25 CYS 0.920 0.192 11 0 "[ . 1 . 2 ]"
1 26 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 27 ASP 0.133 0.041 4 0 "[ . 1 . 2 ]"
1 28 MET 0.423 0.081 4 0 "[ . 1 . 2 ]"
1 29 VAL 0.181 0.088 21 0 "[ . 1 . 2 ]"
1 32 LYS 0.111 0.088 21 0 "[ . 1 . 2 ]"
1 33 LEU 0.116 0.065 4 0 "[ . 1 . 2 ]"
1 34 ILE 1.402 0.204 3 0 "[ . 1 . 2 ]"
1 35 ILE 1.447 0.192 11 0 "[ . 1 . 2 ]"
1 36 ASP 0.681 0.298 5 0 "[ . 1 . 2 ]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 ALA 1.470 0.261 6 0 "[ . 1 . 2 ]"
1 39 ALA 0.757 0.100 3 0 "[ . 1 . 2 ]"
1 40 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 43 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 44 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 45 VAL 0.138 0.078 4 0 "[ . 1 . 2 ]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 47 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 49 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 51 THR 0.003 0.003 4 0 "[ . 1 . 2 ]"
1 52 ARG 0.003 0.003 4 0 "[ . 1 . 2 ]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 GLN 0.235 0.192 15 0 "[ . 1 . 2 ]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 56 VAL 0.545 0.184 18 0 "[ . 1 . 2 ]"
1 57 CYS 0.137 0.135 8 0 "[ . 1 . 2 ]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 59 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 62 VAL 0.942 0.199 13 0 "[ . 1 . 2 ]"
1 63 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 64 ILE 0.368 0.192 15 0 "[ . 1 . 2 ]"
1 65 SER 0.016 0.016 17 0 "[ . 1 . 2 ]"
1 66 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 67 GLN 0.007 0.007 7 0 "[ . 1 . 2 ]"
1 68 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 69 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 70 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 72 ILE 0.379 0.197 21 0 "[ . 1 . 2 ]"
1 73 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 74 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 76 ASP 0.363 0.115 10 0 "[ . 1 . 2 ]"
1 77 PHE 0.053 0.043 5 0 "[ . 1 . 2 ]"
1 79 LYS 0.181 0.108 10 0 "[ . 1 . 2 ]"
1 80 PHE 1.668 0.153 1 0 "[ . 1 . 2 ]"
1 81 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 82 VAL 0.153 0.101 7 0 "[ . 1 . 2 ]"
1 83 ILE 0.287 0.164 9 0 "[ . 1 . 2 ]"
1 84 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 85 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 86 LEU 0.506 0.169 6 0 "[ . 1 . 2 ]"
1 87 ASP 0.084 0.022 7 0 "[ . 1 . 2 ]"
1 88 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 90 ILE 0.282 0.050 12 0 "[ . 1 . 2 ]"
1 91 LEU 0.177 0.050 12 0 "[ . 1 . 2 ]"
1 92 SER 0.005 0.003 3 0 "[ . 1 . 2 ]"
1 93 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 94 ILE 0.132 0.098 16 0 "[ . 1 . 2 ]"
1 95 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 96 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 97 MET 0.175 0.098 16 0 "[ . 1 . 2 ]"
1 98 LYS 0.068 0.027 17 0 "[ . 1 . 2 ]"
1 99 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 100 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 101 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 102 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 103 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 104 ALA 0.114 0.107 11 0 "[ . 1 . 2 ]"
1 105 LYS 0.004 0.002 7 0 "[ . 1 . 2 ]"
1 106 VAL 0.164 0.164 9 0 "[ . 1 . 2 ]"
1 107 VAL 0.036 0.036 1 0 "[ . 1 . 2 ]"
1 108 LEU 0.018 0.018 18 0 "[ . 1 . 2 ]"
1 109 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 110 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 111 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 112 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 113 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 114 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 115 VAL 0.022 0.007 10 0 "[ . 1 . 2 ]"
1 116 ASP 0.019 0.019 16 0 "[ . 1 . 2 ]"
1 117 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 119 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 120 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 121 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 122 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 123 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 124 GLY 0.091 0.091 3 0 "[ . 1 . 2 ]"
1 125 PHE 0.493 0.184 18 0 "[ . 1 . 2 ]"
1 126 PRO 0.120 0.120 13 0 "[ . 1 . 2 ]"
1 127 THR 0.091 0.091 3 0 "[ . 1 . 2 ]"
1 128 MET 0.059 0.059 15 0 "[ . 1 . 2 ]"
1 129 PHE 0.059 0.059 15 0 "[ . 1 . 2 ]"
1 130 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 132 ILE 1.830 0.193 8 0 "[ . 1 . 2 ]"
1 133 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 134 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 135 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 136 MET 0.013 0.013 5 0 "[ . 1 . 2 ]"
1 137 LYS 0.550 0.116 4 0 "[ . 1 . 2 ]"
1 138 PRO 0.550 0.116 4 0 "[ . 1 . 2 ]"
1 139 PHE 0.452 0.161 17 0 "[ . 1 . 2 ]"
1 140 LEU 0.269 0.121 17 0 "[ . 1 . 2 ]"
1 141 THR 0.231 0.091 12 0 "[ . 1 . 2 ]"
1 142 GLU 0.004 0.004 17 0 "[ . 1 . 2 ]"
1 143 HIS 0.036 0.036 1 0 "[ . 1 . 2 ]"
1 144 GLY 0.025 0.011 7 0 "[ . 1 . 2 ]"
1 145 LEU 0.436 0.121 17 0 "[ . 1 . 2 ]"
1 146 ILE 0.345 0.091 12 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 3 GLU HA 1 3 GLU QG 3.200 . 4.600 2.620 1.942 3.337 . 0 0 "[ . 1 . 2 ]" 2
2 1 3 GLU H 1 3 GLU HA 2.700 . 3.600 2.962 2.830 3.006 . 0 0 "[ . 1 . 2 ]" 2
3 1 3 GLU HA 1 4 LYS QB 3.200 . 4.600 4.094 3.968 4.225 . 0 0 "[ . 1 . 2 ]" 2
4 1 3 GLU HA 1 4 LYS QD 3.400 . 5.000 3.730 2.359 4.480 . 0 0 "[ . 1 . 2 ]" 2
5 1 3 GLU H 1 3 GLU HB3 2.700 . 3.600 3.205 2.520 3.631 0.031 2 0 "[ . 1 . 2 ]" 2
6 1 3 GLU H 1 3 GLU HB2 2.600 . 3.400 2.792 1.956 3.495 0.095 5 0 "[ . 1 . 2 ]" 2
7 1 3 GLU QG 1 5 LYS QG 3.900 . 6.000 4.558 2.881 4.796 . 0 0 "[ . 1 . 2 ]" 2
8 1 4 LYS HA 1 4 LYS QD 2.900 . 4.000 3.073 1.970 3.595 . 0 0 "[ . 1 . 2 ]" 2
9 1 4 LYS H 1 4 LYS HA 2.700 . 3.600 2.933 2.856 2.996 . 0 0 "[ . 1 . 2 ]" 2
10 1 4 LYS HA 1 5 LYS QG 2.700 . 3.600 3.237 3.206 3.299 . 0 0 "[ . 1 . 2 ]" 2
11 1 4 LYS H 1 4 LYS HB3 2.800 . 3.800 2.815 2.099 3.560 . 0 0 "[ . 1 . 2 ]" 2
12 1 4 LYS H 1 4 LYS HB2 2.800 . 3.800 2.910 1.940 3.794 . 0 0 "[ . 1 . 2 ]" 2
13 1 4 LYS QD 1 5 LYS H 3.800 . 5.800 4.279 3.597 5.129 . 0 0 "[ . 1 . 2 ]" 2
14 1 4 LYS HA 1 4 LYS QG 3.400 . 5.000 2.902 1.915 3.394 . 0 0 "[ . 1 . 2 ]" 2
15 1 4 LYS QE 1 4 LYS QG 3.000 . 4.200 2.130 1.958 2.633 . 0 0 "[ . 1 . 2 ]" 2
16 1 4 LYS H 1 4 LYS QG 3.100 . 4.400 3.320 1.956 3.972 . 0 0 "[ . 1 . 2 ]" 2
17 1 3 GLU QB 1 5 LYS HA 3.700 . 5.600 5.020 4.830 5.063 . 0 0 "[ . 1 . 2 ]" 2
18 1 4 LYS QG 1 5 LYS HA 3.800 . 5.800 4.199 3.124 5.217 . 0 0 "[ . 1 . 2 ]" 2
19 1 4 LYS H 1 5 LYS HA 3.500 . 5.200 5.065 4.132 5.250 0.050 3 0 "[ . 1 . 2 ]" 2
20 1 5 LYS HA 1 5 LYS QG 3.100 . 4.400 2.440 2.222 3.310 . 0 0 "[ . 1 . 2 ]" 2
21 1 5 LYS H 1 5 LYS HA 3.000 . 4.200 2.890 2.368 2.999 . 0 0 "[ . 1 . 2 ]" 2
22 1 5 LYS H 1 5 LYS HG2 3.000 . 4.200 3.888 2.730 4.234 0.034 16 0 "[ . 1 . 2 ]" 2
23 1 6 ALA HA 1 34 ILE HB 2.900 . 4.000 3.493 2.639 4.124 0.124 3 0 "[ . 1 . 2 ]" 2
24 1 6 ALA HA 1 34 ILE MD 3.500 . 5.700 4.123 1.763 4.769 0.037 3 0 "[ . 1 . 2 ]" 2
25 1 6 ALA HA 1 34 ILE QG 3.100 . 4.400 3.826 1.596 4.130 0.204 3 0 "[ . 1 . 2 ]" 2
26 1 6 ALA MB 1 34 ILE H 3.700 . 6.100 3.659 2.523 4.699 . 0 0 "[ . 1 . 2 ]" 2
27 1 6 ALA MB 1 80 PHE HA 3.400 . 5.500 2.300 1.714 3.625 0.086 16 0 "[ . 1 . 2 ]" 2
28 1 6 ALA MB 1 80 PHE QB 4.500 . 7.700 1.875 1.686 2.344 0.114 17 0 "[ . 1 . 2 ]" 2
29 1 6 ALA MB 1 80 PHE QD 3.400 . 5.500 1.965 1.647 2.984 0.153 1 0 "[ . 1 . 2 ]" 2
30 1 6 ALA MB 1 82 VAL H 4.200 . 7.100 3.560 3.043 4.076 . 0 0 "[ . 1 . 2 ]" 2
31 1 7 VAL H 1 7 VAL HB 3.500 . 5.200 2.674 2.203 3.916 . 0 0 "[ . 1 . 2 ]" 2
32 1 6 ALA HA 1 7 VAL QG 4.000 . 6.700 3.548 3.037 4.024 . 0 0 "[ . 1 . 2 ]" 2
33 1 7 VAL QG 1 8 LEU QD 4.700 . 8.600 4.583 4.235 4.735 . 0 0 "[ . 1 . 2 ]" 2
34 1 7 VAL QG 1 9 PHE QE 4.100 . 6.900 2.662 2.000 3.997 . 0 0 "[ . 1 . 2 ]" 2
35 1 7 VAL QG 1 36 ASP H 3.700 . 6.100 3.718 2.651 4.298 . 0 0 "[ . 1 . 2 ]" 2
36 1 7 VAL QG 1 139 PHE QE 3.900 . 6.500 2.120 1.639 2.681 0.161 17 0 "[ . 1 . 2 ]" 2
37 1 7 VAL QG 1 139 PHE HZ 4.000 . 6.700 2.574 1.811 3.752 . 0 0 "[ . 1 . 2 ]" 2
38 1 8 LEU HA 1 8 LEU QD 3.600 . 5.900 2.148 1.835 2.531 . 0 0 "[ . 1 . 2 ]" 2
39 1 8 LEU HA 1 8 LEU HG 3.600 . 5.400 2.721 2.292 3.511 . 0 0 "[ . 1 . 2 ]" 2
40 1 8 LEU QB 1 80 PHE QD 4.200 . 6.600 3.243 1.837 4.702 . 0 0 "[ . 1 . 2 ]" 2
41 1 8 LEU H 1 8 LEU MD2 4.400 . 7.500 4.136 2.679 4.278 . 0 0 "[ . 1 . 2 ]" 2
42 1 8 LEU HG 1 83 ILE MG 3.300 . 5.300 3.769 3.150 4.422 . 0 0 "[ . 1 . 2 ]" 2
43 1 8 LEU QD 1 10 VAL HB 4.300 . 7.300 3.923 2.847 4.670 . 0 0 "[ . 1 . 2 ]" 2
44 1 8 LEU QD 1 10 VAL QG 4.500 . 6.400 2.454 1.852 3.401 . 0 0 "[ . 1 . 2 ]" 2
45 1 10 VAL H 1 10 VAL MG1 3.900 . 6.500 3.235 1.827 3.907 . 0 0 "[ . 1 . 2 ]" 2
46 1 10 VAL QG 1 14 ASN H 3.800 . 6.300 4.216 3.313 4.681 . 0 0 "[ . 1 . 2 ]" 2
47 1 10 VAL H 1 10 VAL MG2 3.600 . 5.900 3.081 2.213 3.941 . 0 0 "[ . 1 . 2 ]" 2
48 1 10 VAL QG 1 72 ILE HB 3.600 . 5.900 3.837 3.033 4.385 . 0 0 "[ . 1 . 2 ]" 2
49 1 10 VAL QG 1 84 ALA H 4.400 . 7.500 3.892 2.836 4.524 . 0 0 "[ . 1 . 2 ]" 2
50 1 11 CYS HA 1 12 LEU QD 3.600 . 5.900 3.890 3.039 4.310 . 0 0 "[ . 1 . 2 ]" 2
51 1 10 VAL QG 1 11 CYS QB 4.000 . 6.700 3.867 3.485 4.207 . 0 0 "[ . 1 . 2 ]" 2
52 1 11 CYS QB 1 12 LEU QD 4.000 . 6.700 4.239 3.708 4.437 . 0 0 "[ . 1 . 2 ]" 2
53 1 14 ASN H 1 14 ASN HB3 3.500 . 5.200 3.672 3.015 4.018 . 0 0 "[ . 1 . 2 ]" 2
54 1 14 ASN H 1 14 ASN HB2 3.500 . 5.200 3.012 1.982 3.811 . 0 0 "[ . 1 . 2 ]" 2
55 1 14 ASN H 1 15 ILE HB 3.300 . 4.800 4.797 4.645 4.881 0.081 12 0 "[ . 1 . 2 ]" 2
56 1 15 ILE H 1 15 ILE MD 3.900 . 6.500 3.803 3.263 4.481 . 0 0 "[ . 1 . 2 ]" 2
57 1 15 ILE MD 1 44 HIS HE1 4.400 . 7.500 5.531 4.440 6.237 . 0 0 "[ . 1 . 2 ]" 2
58 1 15 ILE MD 1 119 TYR QD 4.700 . 8.100 5.619 4.263 6.013 . 0 0 "[ . 1 . 2 ]" 2
59 1 15 ILE MD 1 119 TYR QE 4.100 . 6.900 4.322 3.424 5.088 . 0 0 "[ . 1 . 2 ]" 2
60 1 15 ILE H 1 15 ILE HG13 3.700 . 5.600 2.902 1.994 4.278 . 0 0 "[ . 1 . 2 ]" 2
61 1 15 ILE H 1 15 ILE HG12 3.300 . 4.800 3.650 2.508 4.239 . 0 0 "[ . 1 . 2 ]" 2
62 1 15 ILE H 1 15 ILE MG 4.100 . 6.900 3.787 3.647 4.075 . 0 0 "[ . 1 . 2 ]" 2
63 1 15 ILE MG 1 44 HIS QB 3.800 . 6.300 4.125 2.420 4.610 . 0 0 "[ . 1 . 2 ]" 2
64 1 15 ILE MG 1 47 GLN QG 3.900 . 6.500 4.712 3.906 4.827 . 0 0 "[ . 1 . 2 ]" 2
65 1 15 ILE MG 1 67 GLN QG 3.700 . 6.100 4.451 3.941 4.530 . 0 0 "[ . 1 . 2 ]" 2
66 1 16 CYS HA 1 86 LEU QD 4.300 . 7.300 5.362 4.280 5.460 . 0 0 "[ . 1 . 2 ]" 2
67 1 16 CYS QB 1 17 ARG QH 4.500 . 7.200 3.604 2.084 5.094 . 0 0 "[ . 1 . 2 ]" 2
68 1 19 PRO QB 1 64 ILE MD 4.100 . 6.500 3.515 1.701 4.830 0.099 13 0 "[ . 1 . 2 ]" 2
69 1 19 PRO QB 1 67 GLN QE 3.500 . 5.200 2.478 1.793 3.588 0.007 7 0 "[ . 1 . 2 ]" 2
70 1 18 SER H 1 19 PRO QD 3.800 . 5.800 2.057 1.731 3.029 0.069 1 0 "[ . 1 . 2 ]" 2
71 1 20 ALA HA 1 64 ILE MD 3.900 . 6.500 4.442 2.226 5.414 . 0 0 "[ . 1 . 2 ]" 2
72 1 20 ALA HA 1 64 ILE MG 3.900 . 6.500 3.675 1.940 5.353 . 0 0 "[ . 1 . 2 ]" 2
73 1 20 ALA MB 1 21 CYS HA 4.400 . 7.500 3.956 3.743 4.112 . 0 0 "[ . 1 . 2 ]" 2
74 1 20 ALA MB 1 21 CYS H 3.500 . 5.700 2.978 1.983 3.358 . 0 0 "[ . 1 . 2 ]" 2
75 1 20 ALA MB 1 22 GLU H 4.300 . 7.300 4.639 4.221 5.002 . 0 0 "[ . 1 . 2 ]" 2
76 1 20 ALA MB 1 23 GLY H 4.300 . 7.300 4.487 3.905 4.855 . 0 0 "[ . 1 . 2 ]" 2
77 1 20 ALA MB 1 24 ILE MD 4.200 . 7.600 3.839 2.494 5.275 . 0 0 "[ . 1 . 2 ]" 2
78 1 20 ALA MB 1 129 PHE QD 4.400 . 7.500 3.260 2.209 4.241 . 0 0 "[ . 1 . 2 ]" 2
79 1 20 ALA MB 1 132 ILE MD 3.500 . 6.200 2.826 1.684 3.971 0.116 11 0 "[ . 1 . 2 ]" 2
80 1 21 CYS HA 1 24 ILE H 3.700 . 5.600 3.692 3.162 4.033 . 0 0 "[ . 1 . 2 ]" 2
81 1 21 CYS HA 1 132 ILE MG 3.300 . 5.300 3.289 2.184 4.438 . 0 0 "[ . 1 . 2 ]" 2
82 1 21 CYS H 1 21 CYS HB3 3.500 . 5.200 3.106 2.179 3.541 . 0 0 "[ . 1 . 2 ]" 2
83 1 21 CYS H 1 21 CYS HB2 3.400 . 5.000 2.506 1.930 3.531 . 0 0 "[ . 1 . 2 ]" 2
84 1 21 CYS QB 1 132 ILE MD 3.500 . 5.700 2.641 1.727 4.045 0.073 3 0 "[ . 1 . 2 ]" 2
85 1 22 GLU HA 1 22 GLU QG 3.300 . 4.800 2.210 1.922 2.670 . 0 0 "[ . 1 . 2 ]" 2
86 1 22 GLU HA 1 26 ARG H 3.600 . 5.400 3.876 3.267 4.220 . 0 0 "[ . 1 . 2 ]" 2
87 1 22 GLU QG 1 35 ILE MG 3.900 . 6.500 2.404 1.720 4.324 0.080 1 0 "[ . 1 . 2 ]" 2
88 1 23 GLY QA 1 24 ILE H 3.800 . 5.400 2.632 2.514 2.756 . 0 0 "[ . 1 . 2 ]" 2
89 1 23 GLY QA 1 62 VAL QG 3.500 . 5.700 2.006 1.601 3.057 0.199 13 0 "[ . 1 . 2 ]" 2
90 1 24 ILE HA 1 24 ILE MD 3.900 . 6.500 2.454 1.817 3.326 . 0 0 "[ . 1 . 2 ]" 2
91 1 24 ILE HA 1 24 ILE QG 3.100 . 4.400 2.376 1.962 2.655 . 0 0 "[ . 1 . 2 ]" 2
92 1 24 ILE HA 1 27 ASP QB 3.100 . 4.400 3.119 2.518 3.503 . 0 0 "[ . 1 . 2 ]" 2
93 1 24 ILE HA 1 129 PHE QD 3.500 . 5.200 4.588 4.291 4.672 . 0 0 "[ . 1 . 2 ]" 2
94 1 24 ILE HA 1 129 PHE QE 3.300 . 4.800 2.972 2.403 3.367 . 0 0 "[ . 1 . 2 ]" 2
95 1 21 CYS HA 1 24 ILE HB 3.500 . 5.200 3.320 2.038 4.087 . 0 0 "[ . 1 . 2 ]" 2
96 1 24 ILE HB 1 24 ILE MD 3.500 . 5.700 2.127 1.935 2.362 . 0 0 "[ . 1 . 2 ]" 2
97 1 24 ILE H 1 24 ILE HB 2.900 . 4.000 2.162 1.941 2.431 . 0 0 "[ . 1 . 2 ]" 2
98 1 24 ILE HB 1 132 ILE QG 3.000 . 4.200 3.549 2.677 3.804 . 0 0 "[ . 1 . 2 ]" 2
99 1 24 ILE H 1 24 ILE MD 3.600 . 5.900 3.508 2.591 4.064 . 0 0 "[ . 1 . 2 ]" 2
100 1 24 ILE MD 1 60 ASN QB 4.000 . 6.700 4.967 4.815 4.997 . 0 0 "[ . 1 . 2 ]" 2
101 1 24 ILE MD 1 134 LYS H 4.000 . 6.700 4.641 3.989 5.476 . 0 0 "[ . 1 . 2 ]" 2
102 1 24 ILE H 1 24 ILE HG13 3.500 . 5.200 4.295 3.763 4.466 . 0 0 "[ . 1 . 2 ]" 2
103 1 24 ILE H 1 24 ILE HG12 3.400 . 5.000 4.529 4.316 4.603 . 0 0 "[ . 1 . 2 ]" 2
104 1 24 ILE QG 1 129 PHE HZ 3.600 . 5.400 4.279 2.815 4.830 . 0 0 "[ . 1 . 2 ]" 2
105 1 24 ILE MG 1 129 PHE HZ 4.400 . 7.500 5.952 4.958 6.260 . 0 0 "[ . 1 . 2 ]" 2
106 1 9 PHE QD 1 24 ILE MG 4.200 . 7.100 5.116 4.755 5.292 . 0 0 "[ . 1 . 2 ]" 2
107 1 24 ILE HA 1 24 ILE MG 3.200 . 5.100 3.129 2.871 3.198 . 0 0 "[ . 1 . 2 ]" 2
108 1 24 ILE MG 1 25 CYS QB 4.100 . 6.900 3.037 2.529 3.327 . 0 0 "[ . 1 . 2 ]" 2
109 1 24 ILE MG 1 27 ASP QB 4.500 . 7.700 4.970 4.401 5.461 . 0 0 "[ . 1 . 2 ]" 2
110 1 24 ILE MG 1 28 MET H 3.800 . 6.300 4.597 4.236 4.998 . 0 0 "[ . 1 . 2 ]" 2
111 1 24 ILE MG 1 133 SER HA 3.300 . 5.300 3.858 2.791 4.410 . 0 0 "[ . 1 . 2 ]" 2
112 1 24 ILE MG 1 25 CYS HA 4.100 . 6.900 2.982 2.783 3.397 . 0 0 "[ . 1 . 2 ]" 2
113 1 25 CYS HA 1 140 LEU QD 3.600 . 5.900 4.304 3.812 4.387 . 0 0 "[ . 1 . 2 ]" 2
114 1 25 CYS QB 1 29 VAL QG 4.100 . 6.700 3.394 2.549 4.433 . 0 0 "[ . 1 . 2 ]" 2
115 1 25 CYS QB 1 35 ILE MG 4.300 . 6.300 3.641 1.796 4.683 0.004 7 0 "[ . 1 . 2 ]" 2
116 1 26 ARG QB 1 27 ASP H 3.900 . 6.000 2.713 2.310 3.539 . 0 0 "[ . 1 . 2 ]" 2
117 1 26 ARG QD 1 26 ARG QH1 3.700 . 5.600 2.210 1.873 2.762 . 0 0 "[ . 1 . 2 ]" 2
118 1 25 CYS H 1 26 ARG QG 3.500 . 5.200 4.427 3.566 4.645 . 0 0 "[ . 1 . 2 ]" 2
119 1 26 ARG HA 1 26 ARG QG 3.700 . 5.600 2.511 2.065 3.304 . 0 0 "[ . 1 . 2 ]" 2
120 1 26 ARG HE 1 26 ARG QG 3.500 . 5.200 2.472 2.061 2.982 . 0 0 "[ . 1 . 2 ]" 2
121 1 27 ASP H 1 28 MET HA 3.500 . 5.200 5.153 5.026 5.241 0.041 4 0 "[ . 1 . 2 ]" 2
122 1 28 MET HA 1 28 MET QG 3.100 . 4.400 2.303 1.935 2.864 . 0 0 "[ . 1 . 2 ]" 2
123 1 28 MET HA 1 29 VAL QG 4.000 . 6.700 3.876 3.439 4.471 . 0 0 "[ . 1 . 2 ]" 2
124 1 28 MET QB 1 29 VAL QG 3.400 . 5.500 2.329 1.915 2.740 . 0 0 "[ . 1 . 2 ]" 2
125 1 28 MET ME 1 28 MET QG 3.100 . 4.500 2.068 1.865 2.284 . 0 0 "[ . 1 . 2 ]" 2
126 1 28 MET ME 1 29 VAL H 4.400 . 7.500 5.315 4.189 6.167 . 0 0 "[ . 1 . 2 ]" 2
127 1 24 ILE MG 1 28 MET QG 4.300 . 6.900 4.342 2.142 5.129 . 0 0 "[ . 1 . 2 ]" 2
128 1 28 MET HA 1 28 MET HG2 3.600 . 5.400 2.646 1.950 3.775 . 0 0 "[ . 1 . 2 ]" 2
129 1 28 MET H 1 28 MET HG3 3.200 . 4.600 4.067 2.479 4.476 . 0 0 "[ . 1 . 2 ]" 2
130 1 28 MET H 1 28 MET HG2 3.000 . 4.200 3.824 2.084 4.238 0.038 12 0 "[ . 1 . 2 ]" 2
131 1 28 MET QG 1 29 VAL QG 3.600 . 5.900 3.543 1.719 3.909 0.081 4 0 "[ . 1 . 2 ]" 2
132 1 28 MET QG 1 29 VAL H 3.500 . 5.200 4.224 2.718 4.655 . 0 0 "[ . 1 . 2 ]" 2
133 1 29 VAL HB 1 32 LYS QB 3.000 . 4.000 3.163 2.150 3.584 . 0 0 "[ . 1 . 2 ]" 2
134 1 29 VAL HB 1 32 LYS QG 3.300 . 4.800 2.891 1.712 4.276 0.088 21 0 "[ . 1 . 2 ]" 2
135 1 29 VAL H 1 29 VAL MG1 3.300 . 5.300 3.370 2.067 3.876 . 0 0 "[ . 1 . 2 ]" 2
136 1 29 VAL H 1 29 VAL MG2 2.900 . 4.500 2.234 1.842 2.814 . 0 0 "[ . 1 . 2 ]" 2
137 1 29 VAL QG 1 32 LYS H 3.500 . 5.700 3.362 1.811 4.238 . 0 0 "[ . 1 . 2 ]" 2
138 1 32 LYS HA 1 33 LEU H 3.200 . 4.600 3.056 2.212 3.492 . 0 0 "[ . 1 . 2 ]" 2
139 1 32 LYS QB 1 32 LYS QE 3.700 . 5.600 3.273 1.853 3.703 . 0 0 "[ . 1 . 2 ]" 2
140 1 32 LYS H 1 32 LYS QD 3.500 . 5.200 3.845 1.847 4.631 . 0 0 "[ . 1 . 2 ]" 2
141 1 32 LYS H 1 32 LYS HG3 3.000 . 4.200 3.473 2.466 4.211 0.011 10 0 "[ . 1 . 2 ]" 2
142 1 32 LYS H 1 32 LYS HG2 3.000 . 4.200 2.942 1.942 3.997 . 0 0 "[ . 1 . 2 ]" 2
143 1 33 LEU H 1 33 LEU HB3 3.200 . 4.600 3.803 3.539 4.044 . 0 0 "[ . 1 . 2 ]" 2
144 1 33 LEU H 1 33 LEU HB2 3.400 . 5.000 2.866 2.221 4.040 . 0 0 "[ . 1 . 2 ]" 2
145 1 33 LEU QD 1 34 ILE H 3.800 . 6.300 3.419 1.843 4.402 . 0 0 "[ . 1 . 2 ]" 2
146 1 33 LEU H 1 33 LEU HG 2.800 . 3.800 3.063 1.976 3.865 0.065 4 0 "[ . 1 . 2 ]" 2
147 1 7 VAL QG 1 34 ILE MD 5.100 . 9.400 2.491 1.666 3.881 0.134 13 0 "[ . 1 . 2 ]" 2
148 1 7 VAL H 1 34 ILE MD 3.800 . 6.300 3.399 1.812 4.353 . 0 0 "[ . 1 . 2 ]" 2
149 1 9 PHE QD 1 34 ILE MD 3.500 . 5.700 4.252 4.212 4.284 . 0 0 "[ . 1 . 2 ]" 2
150 1 34 ILE HA 1 34 ILE MD 3.200 . 5.100 3.597 3.400 3.841 . 0 0 "[ . 1 . 2 ]" 2
151 1 34 ILE HB 1 34 ILE MD 2.700 . 4.100 2.015 1.901 2.240 . 0 0 "[ . 1 . 2 ]" 2
152 1 33 LEU H 1 34 ILE QG 3.100 . 4.400 3.617 2.479 4.023 . 0 0 "[ . 1 . 2 ]" 2
153 1 34 ILE HA 1 34 ILE HG12 3.400 . 5.000 4.158 4.072 4.228 . 0 0 "[ . 1 . 2 ]" 2
154 1 34 ILE H 1 34 ILE HG13 3.200 . 4.600 3.269 1.759 3.892 0.041 4 0 "[ . 1 . 2 ]" 2
155 1 34 ILE H 1 34 ILE HG12 3.300 . 4.800 3.926 2.867 4.688 . 0 0 "[ . 1 . 2 ]" 2
156 1 34 ILE QG 1 35 ILE H 3.500 . 5.200 3.048 1.862 4.400 . 0 0 "[ . 1 . 2 ]" 2
157 1 6 ALA HA 1 34 ILE MG 3.900 . 6.500 3.179 2.212 3.840 . 0 0 "[ . 1 . 2 ]" 2
158 1 7 VAL H 1 34 ILE MG 4.400 . 7.500 4.113 2.766 5.097 . 0 0 "[ . 1 . 2 ]" 2
159 1 34 ILE H 1 34 ILE MG 3.400 . 5.500 2.065 1.836 2.642 . 0 0 "[ . 1 . 2 ]" 2
160 1 34 ILE MG 1 35 ILE H 4.000 . 6.700 3.976 3.585 4.441 . 0 0 "[ . 1 . 2 ]" 2
161 1 34 ILE MG 1 80 PHE QD 4.900 . 8.500 6.297 6.065 6.353 . 0 0 "[ . 1 . 2 ]" 2
162 1 35 ILE HA 1 35 ILE MD 3.800 . 6.300 3.353 2.671 3.800 . 0 0 "[ . 1 . 2 ]" 2
163 1 35 ILE HA 1 35 ILE QG 3.700 . 5.600 2.140 1.981 2.371 . 0 0 "[ . 1 . 2 ]" 2
164 1 34 ILE HA 1 35 ILE HB 3.700 . 5.600 5.204 4.422 5.657 0.057 8 0 "[ . 1 . 2 ]" 2
165 1 35 ILE HB 1 35 ILE MD 3.000 . 4.700 2.102 1.901 2.455 . 0 0 "[ . 1 . 2 ]" 2
166 1 9 PHE QD 1 35 ILE MD 4.300 . 7.300 5.046 2.113 5.449 . 0 0 "[ . 1 . 2 ]" 2
167 1 9 PHE QE 1 35 ILE MD 4.400 . 7.500 4.487 1.925 5.573 . 0 0 "[ . 1 . 2 ]" 2
168 1 25 CYS QB 1 35 ILE MD 3.800 . 6.300 1.968 1.608 2.838 0.192 11 0 "[ . 1 . 2 ]" 2
169 1 29 VAL HB 1 35 ILE MD 4.300 . 7.300 5.236 2.801 6.090 . 0 0 "[ . 1 . 2 ]" 2
170 1 35 ILE H 1 35 ILE MD 3.100 . 4.900 3.139 1.823 4.125 . 0 0 "[ . 1 . 2 ]" 2
171 1 9 PHE QD 1 35 ILE QG 3.800 . 5.800 3.819 1.800 4.615 0.000 5 0 "[ . 1 . 2 ]" 2
172 1 35 ILE H 1 35 ILE QG 3.300 . 4.800 3.395 2.735 4.194 . 0 0 "[ . 1 . 2 ]" 2
173 1 9 PHE QD 1 35 ILE MG 4.100 . 6.900 3.998 1.884 5.122 . 0 0 "[ . 1 . 2 ]" 2
174 1 9 PHE QE 1 35 ILE MG 4.500 . 7.700 4.648 2.587 5.720 . 0 0 "[ . 1 . 2 ]" 2
175 1 22 GLU HA 1 35 ILE MG 3.400 . 5.500 2.694 1.696 3.998 0.104 1 0 "[ . 1 . 2 ]" 2
176 1 26 ARG QH1 1 35 ILE MG 4.400 . 7.500 4.461 2.277 7.049 . 0 0 "[ . 1 . 2 ]" 2
177 1 8 LEU QD 1 36 ASP QB 3.800 . 6.100 1.886 1.502 2.206 0.298 5 0 "[ . 1 . 2 ]" 2
178 1 36 ASP QB 1 80 PHE QD 3.400 . 5.000 3.173 2.732 3.968 . 0 0 "[ . 1 . 2 ]" 2
179 1 8 LEU QD 1 37 SER HA 3.700 . 6.100 3.938 2.997 4.531 . 0 0 "[ . 1 . 2 ]" 2
180 1 8 LEU QD 1 38 ALA MB 3.500 . 6.200 1.848 1.539 2.343 0.261 6 0 "[ . 1 . 2 ]" 2
181 1 37 SER QB 1 38 ALA MB 3.800 . 6.300 4.530 4.263 4.683 . 0 0 "[ . 1 . 2 ]" 2
182 1 38 ALA MB 1 70 ARG QH1 4.200 . 7.100 4.047 2.240 5.268 . 0 0 "[ . 1 . 2 ]" 2
183 1 38 ALA MB 1 70 ARG QH2 3.900 . 6.500 3.903 1.965 5.263 . 0 0 "[ . 1 . 2 ]" 2
184 1 14 ASN HA 1 39 ALA MB 4.100 . 6.900 3.154 1.770 4.615 0.030 9 0 "[ . 1 . 2 ]" 2
185 1 14 ASN QB 1 39 ALA MB 3.300 . 5.300 2.014 1.700 3.874 0.100 3 0 "[ . 1 . 2 ]" 2
186 1 39 ALA H 1 40 THR HA 3.700 . 5.600 4.531 4.155 4.755 . 0 0 "[ . 1 . 2 ]" 2
187 1 40 THR HA 1 41 SER H 3.300 . 4.800 2.935 2.294 3.589 . 0 0 "[ . 1 . 2 ]" 2
188 1 40 THR HA 1 72 ILE MG 3.900 . 6.500 2.588 1.843 4.946 . 0 0 "[ . 1 . 2 ]" 2
189 1 12 LEU QD 1 40 THR MG 3.400 . 6.000 3.320 2.280 3.711 . 0 0 "[ . 1 . 2 ]" 2
190 1 39 ALA HA 1 40 THR MG 4.300 . 7.300 3.784 2.980 5.505 . 0 0 "[ . 1 . 2 ]" 2
191 1 40 THR MG 1 93 ASP QB 3.600 . 5.900 3.218 2.346 4.262 . 0 0 "[ . 1 . 2 ]" 2
192 1 12 LEU QD 1 41 SER QB 3.300 . 5.300 2.818 1.936 3.481 . 0 0 "[ . 1 . 2 ]" 2
193 1 41 SER QB 1 43 PHE QE 4.300 . 6.800 4.858 3.093 5.405 . 0 0 "[ . 1 . 2 ]" 2
194 1 42 GLY H 1 42 GLY HA3 3.000 . 4.200 2.637 2.346 2.984 . 0 0 "[ . 1 . 2 ]" 2
195 1 42 GLY QA 1 45 VAL QG 3.600 . 5.500 2.620 2.033 3.517 . 0 0 "[ . 1 . 2 ]" 2
196 1 43 PHE HA 1 43 PHE QE 3.300 . 4.800 4.186 4.041 4.280 . 0 0 "[ . 1 . 2 ]" 2
197 1 43 PHE QB 1 43 PHE QE 3.900 . 6.000 3.976 3.965 3.992 . 0 0 "[ . 1 . 2 ]" 2
198 1 44 HIS H 1 44 HIS HB3 3.600 . 5.400 3.459 3.013 4.070 . 0 0 "[ . 1 . 2 ]" 2
199 1 45 VAL HA 1 45 VAL QG 2.900 . 4.500 2.160 2.000 2.435 . 0 0 "[ . 1 . 2 ]" 2
200 1 45 VAL HA 1 47 GLN H 3.500 . 5.200 3.518 3.104 4.047 . 0 0 "[ . 1 . 2 ]" 2
201 1 45 VAL HA 1 69 ALA MB 3.400 . 4.900 2.591 1.870 3.712 . 0 0 "[ . 1 . 2 ]" 2
202 1 45 VAL HB 1 46 GLY H 3.400 . 5.000 3.803 2.760 4.501 . 0 0 "[ . 1 . 2 ]" 2
203 1 45 VAL H 1 45 VAL QG 3.300 . 4.500 2.368 1.722 3.045 0.078 4 0 "[ . 1 . 2 ]" 2
204 1 45 VAL QG 1 47 GLN QG 4.500 . 7.700 4.255 3.703 4.705 . 0 0 "[ . 1 . 2 ]" 2
205 1 43 PHE QB 1 45 VAL QG 4.400 . 7.500 4.392 3.490 4.955 . 0 0 "[ . 1 . 2 ]" 2
206 1 44 HIS QB 1 45 VAL QG 3.900 . 6.500 3.866 3.477 4.298 . 0 0 "[ . 1 . 2 ]" 2
207 1 45 VAL QG 1 46 GLY QA 4.200 . 7.100 3.150 2.775 3.795 . 0 0 "[ . 1 . 2 ]" 2
208 1 47 GLN HA 1 47 GLN QG 3.300 . 4.800 3.299 3.260 3.350 . 0 0 "[ . 1 . 2 ]" 2
209 1 47 GLN QG 1 48 SER QB 3.200 . 4.200 2.656 2.222 3.386 . 0 0 "[ . 1 . 2 ]" 2
210 1 47 GLN QG 1 48 SER H 3.200 . 4.600 2.364 1.855 3.771 . 0 0 "[ . 1 . 2 ]" 2
211 1 45 VAL HA 1 48 SER QB 3.800 . 5.200 4.593 4.481 4.641 . 0 0 "[ . 1 . 2 ]" 2
212 1 47 GLN QE 1 48 SER QB 3.500 . 5.200 3.572 2.672 4.129 . 0 0 "[ . 1 . 2 ]" 2
213 1 49 PRO HA 1 49 PRO QG 2.900 . 4.000 3.504 3.503 3.505 . 0 0 "[ . 1 . 2 ]" 2
214 1 49 PRO QB 1 49 PRO QD 2.600 . 3.400 2.751 2.749 2.757 . 0 0 "[ . 1 . 2 ]" 2
215 1 50 ASP HA 1 51 THR H 3.100 . 4.400 3.113 2.944 3.597 . 0 0 "[ . 1 . 2 ]" 2
216 1 15 ILE MD 1 50 ASP QB 4.800 . 8.300 4.857 3.059 6.014 . 0 0 "[ . 1 . 2 ]" 2
217 1 51 THR HA 1 51 THR MG 3.500 . 4.700 2.082 1.925 2.294 . 0 0 "[ . 1 . 2 ]" 2
218 1 51 THR HA 1 55 LYS H 3.700 . 5.600 3.579 3.456 3.709 . 0 0 "[ . 1 . 2 ]" 2
219 1 51 THR HB 1 52 ARG HA 3.000 . 4.200 4.087 3.953 4.203 0.003 4 0 "[ . 1 . 2 ]" 2
220 1 51 THR MG 1 53 SER H 4.200 . 7.100 5.735 5.443 5.893 . 0 0 "[ . 1 . 2 ]" 2
221 1 52 ARG HA 1 52 ARG QG 2.800 . 3.800 2.330 1.975 2.868 . 0 0 "[ . 1 . 2 ]" 2
222 1 52 ARG QD 1 52 ARG QH1 3.400 . 5.000 2.237 1.850 2.924 . 0 0 "[ . 1 . 2 ]" 2
223 1 52 ARG HA 1 52 ARG HG3 3.100 . 4.400 2.889 1.993 3.720 . 0 0 "[ . 1 . 2 ]" 2
224 1 53 SER HA 1 56 VAL QG 4.200 . 7.100 2.663 2.033 3.726 . 0 0 "[ . 1 . 2 ]" 2
225 1 52 ARG QB 1 53 SER QB 3.800 . 5.800 3.763 3.535 4.450 . 0 0 "[ . 1 . 2 ]" 2
226 1 53 SER QB 1 54 GLN QB 4.300 . 6.800 4.157 3.673 4.720 . 0 0 "[ . 1 . 2 ]" 2
227 1 54 GLN HA 1 54 GLN QG 3.300 . 4.800 2.761 2.228 3.416 . 0 0 "[ . 1 . 2 ]" 2
228 1 54 GLN HA 1 64 ILE MD 3.900 . 5.500 2.827 1.814 4.023 . 0 0 "[ . 1 . 2 ]" 2
229 1 54 GLN HA 1 64 ILE QG 3.600 . 5.400 4.017 2.823 4.817 . 0 0 "[ . 1 . 2 ]" 2
230 1 55 LYS H 1 55 LYS HB3 2.700 . 3.600 2.142 2.092 2.218 . 0 0 "[ . 1 . 2 ]" 2
231 1 55 LYS H 1 55 LYS HB2 2.700 . 3.600 2.766 2.707 2.820 . 0 0 "[ . 1 . 2 ]" 2
232 1 55 LYS H 1 55 LYS QD 3.500 . 5.200 4.370 4.257 4.537 . 0 0 "[ . 1 . 2 ]" 2
233 1 55 LYS HA 1 55 LYS QG 3.100 . 4.400 2.950 2.662 3.190 . 0 0 "[ . 1 . 2 ]" 2
234 1 56 VAL H 1 56 VAL HA 3.000 . 4.200 2.806 2.769 2.834 . 0 0 "[ . 1 . 2 ]" 2
235 1 56 VAL HA 1 57 CYS H 2.700 . 3.600 3.533 3.523 3.545 . 0 0 "[ . 1 . 2 ]" 2
236 1 56 VAL HB 1 57 CYS H 3.600 . 5.400 3.373 2.591 3.952 . 0 0 "[ . 1 . 2 ]" 2
237 1 55 LYS QB 1 56 VAL QG 3.600 . 5.900 3.326 2.946 3.701 . 0 0 "[ . 1 . 2 ]" 2
238 1 55 LYS QE 1 56 VAL QG 3.700 . 6.100 3.124 1.863 4.042 . 0 0 "[ . 1 . 2 ]" 2
239 1 55 LYS H 1 56 VAL QG 3.700 . 6.100 3.931 3.400 4.540 . 0 0 "[ . 1 . 2 ]" 2
240 1 56 VAL H 1 56 VAL QG 3.300 . 5.300 1.986 1.682 2.249 0.118 3 0 "[ . 1 . 2 ]" 2
241 1 56 VAL QG 1 125 PHE H 3.800 . 6.300 4.418 3.668 4.682 . 0 0 "[ . 1 . 2 ]" 2
242 1 56 VAL QG 1 57 CYS QB 3.800 . 6.300 3.577 3.071 4.181 . 0 0 "[ . 1 . 2 ]" 2
243 1 56 VAL QG 1 57 CYS H 4.000 . 6.700 2.388 1.845 3.218 . 0 0 "[ . 1 . 2 ]" 2
244 1 57 CYS HA 1 60 ASN H 3.000 . 4.200 3.595 3.430 3.714 . 0 0 "[ . 1 . 2 ]" 2
245 1 57 CYS H 1 57 CYS HB3 3.600 . 5.400 3.285 1.950 3.502 . 0 0 "[ . 1 . 2 ]" 2
246 1 57 CYS H 1 57 CYS HB2 3.700 . 5.600 2.072 1.936 3.275 . 0 0 "[ . 1 . 2 ]" 2
247 1 57 CYS QB 1 62 VAL HB 3.500 . 5.200 2.981 1.839 4.642 . 0 0 "[ . 1 . 2 ]" 2
248 1 57 CYS QB 1 62 VAL QG 4.400 . 6.300 1.991 1.665 3.199 0.135 8 0 "[ . 1 . 2 ]" 2
249 1 58 LYS HA 1 61 GLY H 3.300 . 4.800 3.360 3.203 3.552 . 0 0 "[ . 1 . 2 ]" 2
250 1 58 LYS HA 1 58 LYS HG3 3.300 . 4.800 2.832 2.073 3.785 . 0 0 "[ . 1 . 2 ]" 2
251 1 58 LYS HA 1 58 LYS HG2 3.300 . 4.800 2.555 1.940 3.463 . 0 0 "[ . 1 . 2 ]" 2
252 1 59 SER HA 1 60 ASN H 3.500 . 5.200 3.418 3.394 3.437 . 0 0 "[ . 1 . 2 ]" 2
253 1 59 SER QB 1 60 ASN QB 3.800 . 5.800 4.012 3.561 4.381 . 0 0 "[ . 1 . 2 ]" 2
254 1 59 SER QB 1 60 ASN H 3.700 . 5.600 3.151 3.041 3.307 . 0 0 "[ . 1 . 2 ]" 2
255 1 24 ILE MD 1 62 VAL QG 4.500 . 8.200 2.974 2.271 3.976 . 0 0 "[ . 1 . 2 ]" 2
256 1 62 VAL HA 1 62 VAL MG1 2.900 . 4.500 2.641 2.078 3.185 . 0 0 "[ . 1 . 2 ]" 2
257 1 62 VAL H 1 62 VAL MG1 3.200 . 5.100 3.410 2.294 3.953 . 0 0 "[ . 1 . 2 ]" 2
258 1 62 VAL QG 1 129 PHE HZ 3.100 . 4.900 3.352 2.559 3.644 . 0 0 "[ . 1 . 2 ]" 2
259 1 24 ILE HA 1 62 VAL QG 4.200 . 7.100 2.931 1.914 4.114 . 0 0 "[ . 1 . 2 ]" 2
260 1 27 ASP QB 1 62 VAL QG 4.200 . 7.100 3.540 2.167 4.372 . 0 0 "[ . 1 . 2 ]" 2
261 1 60 ASN H 1 62 VAL QG 3.700 . 6.100 3.975 3.378 4.536 . 0 0 "[ . 1 . 2 ]" 2
262 1 61 GLY QA 1 62 VAL QG 4.000 . 6.700 3.333 3.060 3.662 . 0 0 "[ . 1 . 2 ]" 2
263 1 61 GLY H 1 62 VAL QG 3.900 . 6.500 3.048 2.449 3.732 . 0 0 "[ . 1 . 2 ]" 2
264 1 62 VAL QG 1 64 ILE H 3.800 . 6.300 3.793 2.237 4.675 . 0 0 "[ . 1 . 2 ]" 2
265 1 63 ASP QB 1 64 ILE H 3.800 . 5.800 3.626 2.959 4.028 . 0 0 "[ . 1 . 2 ]" 2
266 1 54 GLN QE 1 64 ILE MD 4.300 . 7.300 3.116 1.608 5.078 0.192 15 0 "[ . 1 . 2 ]" 2
267 1 54 GLN QG 1 64 ILE MD 3.500 . 5.700 2.840 1.843 4.095 . 0 0 "[ . 1 . 2 ]" 2
268 1 23 GLY QA 1 64 ILE MG 3.400 . 5.500 2.896 1.895 4.083 . 0 0 "[ . 1 . 2 ]" 2
269 1 23 GLY H 1 64 ILE MG 3.600 . 5.900 3.187 1.914 4.036 . 0 0 "[ . 1 . 2 ]" 2
270 1 54 GLN QE 1 64 ILE MG 4.400 . 7.500 4.511 2.304 5.569 . 0 0 "[ . 1 . 2 ]" 2
271 1 54 GLN QG 1 64 ILE MG 4.100 . 6.900 4.472 3.176 5.123 . 0 0 "[ . 1 . 2 ]" 2
272 1 64 ILE MG 1 65 SER H 4.200 . 7.100 3.515 1.784 3.932 0.016 17 0 "[ . 1 . 2 ]" 2
273 1 64 ILE HB 1 65 SER QB 3.800 . 5.800 4.719 4.172 5.291 . 0 0 "[ . 1 . 2 ]" 2
274 1 66 LYS HA 1 66 LYS QD 3.000 . 4.200 2.791 1.848 3.738 . 0 0 "[ . 1 . 2 ]" 2
275 1 66 LYS H 1 66 LYS QB 3.100 . 4.200 2.879 2.158 3.360 . 0 0 "[ . 1 . 2 ]" 2
276 1 67 GLN HA 1 67 GLN QG 3.300 . 4.800 2.748 2.088 3.332 . 0 0 "[ . 1 . 2 ]" 2
277 1 66 LYS H 1 67 GLN QG 3.500 . 5.200 4.536 4.017 4.642 . 0 0 "[ . 1 . 2 ]" 2
278 1 67 GLN HA 1 67 GLN HG3 3.500 . 5.200 3.379 2.126 4.159 . 0 0 "[ . 1 . 2 ]" 2
279 1 67 GLN H 1 67 GLN HG3 3.100 . 4.400 3.766 2.811 4.369 . 0 0 "[ . 1 . 2 ]" 2
280 1 67 GLN H 1 67 GLN HG2 3.300 . 4.800 3.065 2.006 4.766 . 0 0 "[ . 1 . 2 ]" 2
281 1 68 ARG HB3 1 68 ARG QD 3.700 . 5.600 2.623 1.988 3.373 . 0 0 "[ . 1 . 2 ]" 2
282 1 68 ARG H 1 68 ARG HB3 3.700 . 5.600 3.414 2.721 3.962 . 0 0 "[ . 1 . 2 ]" 2
283 1 15 ILE MG 1 69 ALA MB 3.700 . 6.600 4.166 2.351 4.579 . 0 0 "[ . 1 . 2 ]" 2
284 1 15 ILE H 1 69 ALA MB 3.300 . 5.300 3.996 2.620 4.420 . 0 0 "[ . 1 . 2 ]" 2
285 1 70 ARG HE 1 70 ARG QG 3.600 . 5.200 2.513 2.211 2.844 . 0 0 "[ . 1 . 2 ]" 2
286 1 70 ARG H 1 70 ARG QG 3.500 . 4.800 2.666 1.922 4.180 . 0 0 "[ . 1 . 2 ]" 2
287 1 71 GLN QB 1 71 GLN QE 3.700 . 5.600 2.714 1.859 3.733 . 0 0 "[ . 1 . 2 ]" 2
288 1 71 GLN H 1 71 GLN HG3 3.400 . 5.000 4.353 3.642 4.733 . 0 0 "[ . 1 . 2 ]" 2
289 1 71 GLN H 1 71 GLN HG2 3.300 . 4.800 4.324 2.166 4.798 . 0 0 "[ . 1 . 2 ]" 2
290 1 72 ILE HA 1 72 ILE MD 3.900 . 6.500 3.666 2.683 3.841 . 0 0 "[ . 1 . 2 ]" 2
291 1 72 ILE HB 1 73 THR H 3.400 . 5.000 4.045 1.878 4.644 . 0 0 "[ . 1 . 2 ]" 2
292 1 8 LEU QD 1 72 ILE MD 3.300 . 5.800 2.095 1.603 3.492 0.197 21 0 "[ . 1 . 2 ]" 2
293 1 72 ILE HB 1 72 ILE MD 2.700 . 4.100 2.309 2.002 3.190 . 0 0 "[ . 1 . 2 ]" 2
294 1 72 ILE H 1 72 ILE MD 3.900 . 6.500 4.227 3.625 4.659 . 0 0 "[ . 1 . 2 ]" 2
295 1 72 ILE MD 1 77 PHE QD 4.900 . 8.500 5.017 4.041 5.714 . 0 0 "[ . 1 . 2 ]" 2
296 1 72 ILE MD 1 77 PHE QE 4.000 . 6.700 4.134 2.793 4.911 . 0 0 "[ . 1 . 2 ]" 2
297 1 8 LEU QD 1 72 ILE QG 4.200 . 6.500 2.859 1.937 3.603 . 0 0 "[ . 1 . 2 ]" 2
298 1 72 ILE HA 1 72 ILE QG 3.400 . 4.600 2.301 2.136 2.436 . 0 0 "[ . 1 . 2 ]" 2
299 1 8 LEU QD 1 72 ILE MG 4.200 . 7.600 4.204 3.521 4.617 . 0 0 "[ . 1 . 2 ]" 2
300 1 71 GLN QG 1 72 ILE MG 3.600 . 5.900 3.195 2.269 4.378 . 0 0 "[ . 1 . 2 ]" 2
301 1 72 ILE MG 1 76 ASP QB 3.600 . 5.900 4.091 1.817 4.381 . 0 0 "[ . 1 . 2 ]" 2
302 1 73 THR H 1 73 THR MG 3.300 . 5.300 3.178 1.852 3.942 . 0 0 "[ . 1 . 2 ]" 2
303 1 74 LYS HA 1 74 LYS QD 3.700 . 5.600 3.864 3.077 4.409 . 0 0 "[ . 1 . 2 ]" 2
304 1 74 LYS HA 1 77 PHE QD 3.100 . 4.400 3.404 1.877 3.925 . 0 0 "[ . 1 . 2 ]" 2
305 1 74 LYS QB 1 74 LYS QE 3.800 . 5.800 3.067 1.916 3.654 . 0 0 "[ . 1 . 2 ]" 2
306 1 74 LYS H 1 74 LYS QD 3.500 . 5.200 3.757 2.326 4.505 . 0 0 "[ . 1 . 2 ]" 2
307 1 74 LYS H 1 74 LYS QE 4.000 . 6.200 4.374 2.633 5.381 . 0 0 "[ . 1 . 2 ]" 2
308 1 75 ALA MB 1 76 ASP H 3.300 . 5.300 2.890 2.447 3.215 . 0 0 "[ . 1 . 2 ]" 2
309 1 8 LEU QD 1 76 ASP QB 3.500 . 5.700 2.088 1.685 2.970 0.115 10 0 "[ . 1 . 2 ]" 2
310 1 72 ILE MD 1 76 ASP QB 4.300 . 6.900 2.520 1.842 3.968 . 0 0 "[ . 1 . 2 ]" 2
311 1 72 ILE QG 1 76 ASP QB 3.500 . 5.200 2.598 1.861 3.737 . 0 0 "[ . 1 . 2 ]" 2
312 1 76 ASP H 1 76 ASP HB3 3.200 . 4.600 2.918 2.219 3.548 . 0 0 "[ . 1 . 2 ]" 2
313 1 76 ASP H 1 76 ASP HB2 3.100 . 4.400 2.923 2.078 3.551 . 0 0 "[ . 1 . 2 ]" 2
314 1 76 ASP QB 1 80 PHE QD 3.800 . 5.800 3.859 2.754 4.608 . 0 0 "[ . 1 . 2 ]" 2
315 1 76 ASP QB 1 83 ILE QG 3.200 . 4.600 3.521 2.923 3.660 . 0 0 "[ . 1 . 2 ]" 2
316 1 77 PHE HA 1 77 PHE QD 3.400 . 5.000 1.999 1.855 2.252 . 0 0 "[ . 1 . 2 ]" 2
317 1 77 PHE HA 1 83 ILE MD 3.500 . 5.700 2.700 1.823 3.355 . 0 0 "[ . 1 . 2 ]" 2
318 1 77 PHE HA 1 104 ALA MB 3.400 . 5.500 2.966 2.407 3.775 . 0 0 "[ . 1 . 2 ]" 2
319 1 77 PHE QB 1 104 ALA MB 4.600 . 7.900 3.645 2.947 4.872 . 0 0 "[ . 1 . 2 ]" 2
320 1 79 LYS HA 1 79 LYS QD 2.900 . 4.000 2.494 1.847 3.546 . 0 0 "[ . 1 . 2 ]" 2
321 1 79 LYS HA 1 79 LYS QG 3.200 . 4.600 2.462 1.916 3.368 . 0 0 "[ . 1 . 2 ]" 2
322 1 79 LYS HA 1 80 PHE QE 3.500 . 5.200 4.651 4.635 4.703 . 0 0 "[ . 1 . 2 ]" 2
323 1 79 LYS QB 1 80 PHE QB 3.400 . 5.000 3.893 3.676 3.990 . 0 0 "[ . 1 . 2 ]" 2
324 1 79 LYS QB 1 80 PHE QD 3.500 . 5.200 2.654 1.783 3.510 0.017 18 0 "[ . 1 . 2 ]" 2
325 1 79 LYS QB 1 80 PHE H 3.400 . 5.000 2.771 1.692 3.282 0.108 10 0 "[ . 1 . 2 ]" 2
326 1 79 LYS QD 1 80 PHE QD 4.200 . 6.600 4.861 4.380 5.253 . 0 0 "[ . 1 . 2 ]" 2
327 1 79 LYS QE 1 79 LYS QG 3.000 . 4.200 2.105 1.963 2.321 . 0 0 "[ . 1 . 2 ]" 2
328 1 79 LYS HA 1 79 LYS HG3 3.300 . 4.800 2.546 1.933 4.156 . 0 0 "[ . 1 . 2 ]" 2
329 1 79 LYS HA 1 79 LYS HG2 3.200 . 4.600 3.552 3.162 3.727 . 0 0 "[ . 1 . 2 ]" 2
330 1 79 LYS QE 1 79 LYS HG3 3.300 . 4.800 2.695 1.986 3.374 . 0 0 "[ . 1 . 2 ]" 2
331 1 79 LYS QE 1 79 LYS HG2 3.400 . 5.000 2.406 2.060 3.251 . 0 0 "[ . 1 . 2 ]" 2
332 1 79 LYS H 1 79 LYS HG3 3.300 . 4.800 4.325 3.518 4.601 . 0 0 "[ . 1 . 2 ]" 2
333 1 79 LYS H 1 79 LYS HG2 3.500 . 5.200 4.514 1.847 4.898 . 0 0 "[ . 1 . 2 ]" 2
334 1 79 LYS QG 1 80 PHE H 3.300 . 4.800 3.974 2.507 4.288 . 0 0 "[ . 1 . 2 ]" 2
335 1 79 LYS QG 1 80 PHE HA 3.700 . 5.600 4.594 4.107 5.004 . 0 0 "[ . 1 . 2 ]" 2
336 1 80 PHE HA 1 80 PHE QD 3.900 . 6.000 2.479 1.925 3.143 . 0 0 "[ . 1 . 2 ]" 2
337 1 80 PHE HA 1 80 PHE QE 4.400 . 7.000 4.521 4.307 4.889 . 0 0 "[ . 1 . 2 ]" 2
338 1 80 PHE HA 1 82 VAL H 3.800 . 5.800 4.554 3.927 5.315 . 0 0 "[ . 1 . 2 ]" 2
339 1 8 LEU QD 1 80 PHE QB 4.100 . 6.900 3.394 2.876 4.154 . 0 0 "[ . 1 . 2 ]" 2
340 1 80 PHE QB 1 83 ILE MG 4.600 . 7.900 5.506 4.963 5.881 . 0 0 "[ . 1 . 2 ]" 2
341 1 5 LYS QE 1 82 VAL QG 4.600 . 7.900 3.687 2.034 5.101 . 0 0 "[ . 1 . 2 ]" 2
342 1 81 ASP QB 1 82 VAL QG 4.000 . 6.100 2.532 2.153 3.499 . 0 0 "[ . 1 . 2 ]" 2
343 1 82 VAL QG 1 139 PHE QE 3.400 . 5.500 3.114 1.796 3.639 0.004 9 0 "[ . 1 . 2 ]" 2
344 1 82 VAL QG 1 139 PHE HZ 3.100 . 4.900 2.584 1.699 3.575 0.101 7 0 "[ . 1 . 2 ]" 2
345 1 82 VAL QG 1 143 HIS QB 3.600 . 5.900 3.483 2.499 3.905 . 0 0 "[ . 1 . 2 ]" 2
346 1 82 VAL QG 1 83 ILE HA 4.200 . 7.100 3.731 3.360 4.351 . 0 0 "[ . 1 . 2 ]" 2
347 1 83 ILE HB 1 83 ILE MD 3.500 . 5.700 2.092 1.903 2.304 . 0 0 "[ . 1 . 2 ]" 2
348 1 77 PHE QB 1 83 ILE MD 4.100 . 6.900 4.158 3.444 4.910 . 0 0 "[ . 1 . 2 ]" 2
349 1 77 PHE QD 1 83 ILE MD 3.900 . 6.500 2.361 1.790 3.106 0.010 8 0 "[ . 1 . 2 ]" 2
350 1 77 PHE QE 1 83 ILE MD 4.100 . 6.900 3.100 2.277 4.041 . 0 0 "[ . 1 . 2 ]" 2
351 1 80 PHE QB 1 83 ILE MD 4.100 . 6.100 3.867 3.307 4.352 . 0 0 "[ . 1 . 2 ]" 2
352 1 80 PHE QD 1 83 ILE MD 3.800 . 6.300 4.577 4.202 4.686 . 0 0 "[ . 1 . 2 ]" 2
353 1 82 VAL H 1 83 ILE MD 4.300 . 7.300 4.657 3.540 5.504 . 0 0 "[ . 1 . 2 ]" 2
354 1 83 ILE H 1 83 ILE MD 4.200 . 7.100 3.074 1.898 4.011 . 0 0 "[ . 1 . 2 ]" 2
355 1 83 ILE MD 1 94 ILE QG 4.000 . 6.700 4.664 3.805 4.976 . 0 0 "[ . 1 . 2 ]" 2
356 1 83 ILE MD 1 104 ALA MB 3.300 . 5.800 2.386 1.693 3.248 0.107 11 0 "[ . 1 . 2 ]" 2
357 1 83 ILE MD 1 106 VAL HB 4.100 . 6.900 4.646 3.606 5.721 . 0 0 "[ . 1 . 2 ]" 2
358 1 77 PHE QE 1 83 ILE MG 5.000 . 8.700 3.833 2.266 4.886 . 0 0 "[ . 1 . 2 ]" 2
359 1 83 ILE H 1 83 ILE MG 4.100 . 6.900 3.709 3.645 3.787 . 0 0 "[ . 1 . 2 ]" 2
360 1 83 ILE MG 1 94 ILE HB 4.000 . 6.700 4.719 3.814 5.583 . 0 0 "[ . 1 . 2 ]" 2
361 1 84 ALA MB 1 109 PHE QB 3.500 . 5.700 3.096 2.058 4.000 . 0 0 "[ . 1 . 2 ]" 2
362 1 84 ALA MB 1 109 PHE QD 3.700 . 6.100 2.952 1.912 3.815 . 0 0 "[ . 1 . 2 ]" 2
363 1 84 ALA MB 1 85 ALA HA 4.400 . 7.500 4.164 3.931 4.277 . 0 0 "[ . 1 . 2 ]" 2
364 1 85 ALA HA 1 86 LEU QD 4.100 . 6.900 3.875 3.231 4.349 . 0 0 "[ . 1 . 2 ]" 2
365 1 85 ALA MB 1 90 ILE H 4.200 . 7.100 4.373 3.732 5.058 . 0 0 "[ . 1 . 2 ]" 2
366 1 85 ALA MB 1 91 LEU HA 3.300 . 5.300 3.226 2.437 4.336 . 0 0 "[ . 1 . 2 ]" 2
367 1 85 ALA MB 1 91 LEU H 3.400 . 5.500 2.944 2.309 3.663 . 0 0 "[ . 1 . 2 ]" 2
368 1 85 ALA MB 1 109 PHE H 4.000 . 6.700 3.699 3.149 4.295 . 0 0 "[ . 1 . 2 ]" 2
369 1 86 LEU HA 1 86 LEU QD 3.600 . 5.900 2.225 1.771 2.773 0.029 8 0 "[ . 1 . 2 ]" 2
370 1 86 LEU QD 1 87 ASP HA 4.100 . 6.900 5.075 4.833 5.138 . 0 0 "[ . 1 . 2 ]" 2
371 1 86 LEU QD 1 109 PHE QB 3.800 . 5.900 2.589 1.838 3.574 . 0 0 "[ . 1 . 2 ]" 2
372 1 86 LEU QD 1 109 PHE QD 4.900 . 6.900 2.925 1.900 4.156 . 0 0 "[ . 1 . 2 ]" 2
373 1 17 ARG QD 1 86 LEU QD 4.000 . 6.700 2.478 1.631 3.739 0.169 6 0 "[ . 1 . 2 ]" 2
374 1 85 ALA MB 1 86 LEU QD 4.100 . 7.400 4.486 4.244 4.585 . 0 0 "[ . 1 . 2 ]" 2
375 1 86 LEU HA 1 86 LEU MD2 3.700 . 6.100 3.642 3.450 3.697 . 0 0 "[ . 1 . 2 ]" 2
376 1 86 LEU H 1 86 LEU MD2 4.100 . 6.900 4.076 3.730 4.470 . 0 0 "[ . 1 . 2 ]" 2
377 1 86 LEU H 1 86 LEU HG 3.600 . 5.400 4.224 3.645 4.625 . 0 0 "[ . 1 . 2 ]" 2
378 1 86 LEU HG 1 115 VAL H 3.500 . 5.200 4.894 4.197 5.207 0.007 10 0 "[ . 1 . 2 ]" 2
379 1 88 GLN HA 1 88 GLN QG 3.400 . 5.000 2.226 1.959 2.542 . 0 0 "[ . 1 . 2 ]" 2
380 1 88 GLN HA 1 108 LEU QD 3.700 . 6.100 2.516 1.925 3.261 . 0 0 "[ . 1 . 2 ]" 2
381 1 87 ASP QB 1 88 GLN QG 4.000 . 6.200 4.681 3.878 4.921 . 0 0 "[ . 1 . 2 ]" 2
382 1 88 GLN QG 1 108 LEU QD 3.300 . 5.300 2.282 1.847 3.119 . 0 0 "[ . 1 . 2 ]" 2
383 1 87 ASP H 1 90 ILE HB 3.000 . 4.200 4.089 3.729 4.209 0.009 1 0 "[ . 1 . 2 ]" 2
384 1 10 VAL HB 1 90 ILE MD 3.800 . 6.300 4.105 1.830 4.825 . 0 0 "[ . 1 . 2 ]" 2
385 1 11 CYS HA 1 90 ILE MD 3.400 . 5.500 2.067 1.781 3.165 0.019 10 0 "[ . 1 . 2 ]" 2
386 1 17 ARG QD 1 90 ILE MD 4.300 . 6.500 4.665 3.805 4.842 . 0 0 "[ . 1 . 2 ]" 2
387 1 17 ARG QH 1 90 ILE MD 4.100 . 6.900 4.161 3.149 4.565 . 0 0 "[ . 1 . 2 ]" 2
388 1 87 ASP H 1 90 ILE MD 3.300 . 5.300 2.418 1.778 3.909 0.022 7 0 "[ . 1 . 2 ]" 2
389 1 90 ILE HA 1 90 ILE MD 3.600 . 5.900 3.792 3.683 3.904 . 0 0 "[ . 1 . 2 ]" 2
390 1 90 ILE MD 1 91 LEU QB 4.200 . 7.100 4.382 4.115 4.885 . 0 0 "[ . 1 . 2 ]" 2
391 1 90 ILE MD 1 91 LEU QD 4.300 . 7.800 4.787 4.604 4.827 . 0 0 "[ . 1 . 2 ]" 2
392 1 90 ILE MD 1 91 LEU H 4.200 . 7.100 3.589 3.052 4.439 . 0 0 "[ . 1 . 2 ]" 2
393 1 11 CYS HA 1 90 ILE MG 3.800 . 6.300 3.569 2.470 4.845 . 0 0 "[ . 1 . 2 ]" 2
394 1 87 ASP H 1 90 ILE MG 3.500 . 5.700 3.832 1.862 4.758 . 0 0 "[ . 1 . 2 ]" 2
395 1 90 ILE HA 1 90 ILE MG 3.400 . 5.500 2.613 2.133 3.198 . 0 0 "[ . 1 . 2 ]" 2
396 1 90 ILE MG 1 91 LEU HA 4.100 . 6.900 3.643 3.002 4.047 . 0 0 "[ . 1 . 2 ]" 2
397 1 90 ILE MG 1 91 LEU QB 4.000 . 6.700 3.722 2.496 4.555 . 0 0 "[ . 1 . 2 ]" 2
398 1 90 ILE MG 1 91 LEU H 3.900 . 6.500 2.822 1.750 3.712 0.050 12 0 "[ . 1 . 2 ]" 2
399 1 90 ILE MG 1 93 ASP QB 4.300 . 6.900 4.413 3.276 5.125 . 0 0 "[ . 1 . 2 ]" 2
400 1 90 ILE MG 1 94 ILE MD 3.300 . 5.800 3.340 1.817 4.030 . 0 0 "[ . 1 . 2 ]" 2
401 1 90 ILE MG 1 94 ILE H 4.100 . 6.900 4.222 3.333 5.301 . 0 0 "[ . 1 . 2 ]" 2
402 1 91 LEU HA 1 91 LEU QD 3.100 . 4.900 2.758 2.382 2.859 . 0 0 "[ . 1 . 2 ]" 2
403 1 91 LEU HA 1 91 LEU HG 3.400 . 5.000 2.288 2.202 2.649 . 0 0 "[ . 1 . 2 ]" 2
404 1 91 LEU HA 1 106 VAL QG 3.500 . 5.700 3.363 2.439 4.224 . 0 0 "[ . 1 . 2 ]" 2
405 1 88 GLN HA 1 91 LEU QD 3.700 . 6.100 3.638 3.286 3.996 . 0 0 "[ . 1 . 2 ]" 2
406 1 91 LEU HA 1 91 LEU MD1 3.700 . 6.100 2.856 2.409 2.996 . 0 0 "[ . 1 . 2 ]" 2
407 1 91 LEU H 1 91 LEU MD1 3.700 . 6.100 3.805 3.477 4.153 . 0 0 "[ . 1 . 2 ]" 2
408 1 91 LEU QD 1 108 LEU H 3.700 . 6.100 3.143 2.259 4.007 . 0 0 "[ . 1 . 2 ]" 2
409 1 91 LEU HG 1 92 SER HA 3.300 . 4.800 4.627 3.646 4.803 0.003 3 0 "[ . 1 . 2 ]" 2
410 1 92 SER QB 1 93 ASP QB 3.600 . 5.400 4.125 3.874 4.295 . 0 0 "[ . 1 . 2 ]" 2
411 1 91 LEU QB 1 92 SER QB 3.500 . 5.200 3.739 3.526 4.131 . 0 0 "[ . 1 . 2 ]" 2
412 1 91 LEU QD 1 92 SER QB 3.800 . 6.300 4.070 3.430 4.169 . 0 0 "[ . 1 . 2 ]" 2
413 1 93 ASP QB 1 96 SER QB 3.700 . 5.000 3.935 3.731 4.001 . 0 0 "[ . 1 . 2 ]" 2
414 1 94 ILE HA 1 94 ILE MD 3.600 . 5.900 3.759 2.763 3.905 . 0 0 "[ . 1 . 2 ]" 2
415 1 94 ILE HA 1 94 ILE QG 2.900 . 4.000 2.364 2.241 2.515 . 0 0 "[ . 1 . 2 ]" 2
416 1 94 ILE HA 1 94 ILE MG 3.200 . 5.100 3.024 2.270 3.198 . 0 0 "[ . 1 . 2 ]" 2
417 1 94 ILE HA 1 95 ASN H 3.400 . 5.000 3.565 3.504 3.593 . 0 0 "[ . 1 . 2 ]" 2
418 1 94 ILE HA 1 97 MET QB 3.200 . 4.600 4.065 3.847 4.111 . 0 0 "[ . 1 . 2 ]" 2
419 1 94 ILE HA 1 97 MET QG 3.500 . 4.600 2.631 2.070 3.799 . 0 0 "[ . 1 . 2 ]" 2
420 1 94 ILE HA 1 98 LYS QG 3.400 . 5.000 3.937 3.298 4.405 . 0 0 "[ . 1 . 2 ]" 2
421 1 94 ILE HA 1 98 LYS H 3.600 . 5.400 4.354 3.869 4.948 . 0 0 "[ . 1 . 2 ]" 2
422 1 94 ILE HB 1 94 ILE MD 3.400 . 5.500 2.399 1.927 3.175 . 0 0 "[ . 1 . 2 ]" 2
423 1 94 ILE H 1 94 ILE MD 3.400 . 5.500 3.885 2.105 4.252 . 0 0 "[ . 1 . 2 ]" 2
424 1 94 ILE MD 1 95 ASN QB 3.900 . 6.500 4.727 4.191 4.830 . 0 0 "[ . 1 . 2 ]" 2
425 1 77 PHE QE 1 94 ILE MG 3.500 . 5.700 3.855 1.832 4.233 . 0 0 "[ . 1 . 2 ]" 2
426 1 93 ASP QB 1 94 ILE MG 3.800 . 6.300 4.239 3.894 4.747 . 0 0 "[ . 1 . 2 ]" 2
427 1 96 SER QB 1 97 MET H 3.600 . 5.400 3.029 2.553 3.469 . 0 0 "[ . 1 . 2 ]" 2
428 1 77 PHE QE 1 97 MET QB 3.500 . 5.200 3.931 3.050 4.130 . 0 0 "[ . 1 . 2 ]" 2
429 1 97 MET H 1 97 MET HB3 3.100 . 4.400 2.974 2.445 3.782 . 0 0 "[ . 1 . 2 ]" 2
430 1 97 MET H 1 97 MET HB2 3.000 . 4.200 3.467 2.733 3.739 . 0 0 "[ . 1 . 2 ]" 2
431 1 40 THR HB 1 97 MET ME 3.600 . 5.900 4.346 3.243 4.917 . 0 0 "[ . 1 . 2 ]" 2
432 1 40 THR MG 1 97 MET ME 3.800 . 6.800 4.222 2.840 4.723 . 0 0 "[ . 1 . 2 ]" 2
433 1 72 ILE MG 1 97 MET ME 3.300 . 5.800 3.197 2.129 4.022 . 0 0 "[ . 1 . 2 ]" 2
434 1 77 PHE QD 1 97 MET ME 4.600 . 7.900 4.286 3.732 4.725 . 0 0 "[ . 1 . 2 ]" 2
435 1 77 PHE QE 1 97 MET ME 3.500 . 5.700 2.525 1.757 3.033 0.043 5 0 "[ . 1 . 2 ]" 2
436 1 94 ILE MG 1 97 MET ME 3.800 . 6.800 3.363 1.702 4.060 0.098 16 0 "[ . 1 . 2 ]" 2
437 1 97 MET H 1 97 MET ME 4.000 . 6.700 3.654 2.790 4.112 . 0 0 "[ . 1 . 2 ]" 2
438 1 97 MET ME 1 98 LYS QG 2.600 . 3.900 2.882 2.759 2.913 . 0 0 "[ . 1 . 2 ]" 2
439 1 94 ILE MG 1 97 MET QG 4.400 . 7.500 4.268 3.173 5.210 . 0 0 "[ . 1 . 2 ]" 2
440 1 97 MET QG 1 98 LYS H 3.000 . 4.200 2.346 1.872 3.530 . 0 0 "[ . 1 . 2 ]" 2
441 1 77 PHE QD 1 98 LYS HA 3.900 . 6.000 3.858 2.722 4.456 . 0 0 "[ . 1 . 2 ]" 2
442 1 98 LYS HA 1 98 LYS QB 2.600 . 3.400 2.439 2.410 2.512 . 0 0 "[ . 1 . 2 ]" 2
443 1 98 LYS HA 1 98 LYS QE 2.600 . 3.400 2.869 2.487 3.048 . 0 0 "[ . 1 . 2 ]" 2
444 1 98 LYS HA 1 98 LYS QG 3.100 . 4.400 2.187 2.096 2.407 . 0 0 "[ . 1 . 2 ]" 2
445 1 98 LYS HA 1 99 PRO QD 2.900 . 4.000 1.967 1.914 2.043 . 0 0 "[ . 1 . 2 ]" 2
446 1 98 LYS HA 1 99 PRO QG 3.300 . 4.800 3.875 3.815 3.968 . 0 0 "[ . 1 . 2 ]" 2
447 1 98 LYS H 1 98 LYS QB 2.800 . 3.600 2.309 2.122 2.416 . 0 0 "[ . 1 . 2 ]" 2
448 1 98 LYS H 1 98 LYS HD3 3.400 . 5.000 4.564 4.323 5.027 0.027 17 0 "[ . 1 . 2 ]" 2
449 1 98 LYS H 1 98 LYS HD2 3.300 . 4.800 4.683 4.252 4.809 0.009 5 0 "[ . 1 . 2 ]" 2
450 1 98 LYS QE 1 99 PRO QG 3.900 . 6.000 3.761 2.810 4.355 . 0 0 "[ . 1 . 2 ]" 2
451 1 77 PHE QD 1 98 LYS QG 3.900 . 6.000 3.607 2.705 4.389 . 0 0 "[ . 1 . 2 ]" 2
452 1 98 LYS QE 1 98 LYS QG 3.300 . 4.800 2.316 2.152 2.888 . 0 0 "[ . 1 . 2 ]" 2
453 1 99 PRO HA 1 100 SER H 2.900 . 4.000 2.880 2.483 3.592 . 0 0 "[ . 1 . 2 ]" 2
454 1 99 PRO QB 1 99 PRO QD 3.000 . 4.200 2.829 2.804 2.837 . 0 0 "[ . 1 . 2 ]" 2
455 1 77 PHE QD 1 99 PRO QD 4.100 . 6.200 3.176 2.321 4.064 . 0 0 "[ . 1 . 2 ]" 2
456 1 77 PHE QE 1 99 PRO QD 3.900 . 6.000 3.580 2.231 4.656 . 0 0 "[ . 1 . 2 ]" 2
457 1 98 LYS QB 1 99 PRO QD 3.000 . 4.200 2.666 2.218 3.134 . 0 0 "[ . 1 . 2 ]" 2
458 1 98 LYS QG 1 99 PRO QD 3.000 . 4.200 3.304 3.024 3.369 . 0 0 "[ . 1 . 2 ]" 2
459 1 77 PHE QD 1 99 PRO QG 4.200 . 6.600 4.086 2.709 5.239 . 0 0 "[ . 1 . 2 ]" 2
460 1 99 PRO QG 1 100 SER H 4.000 . 6.200 3.426 1.831 4.171 . 0 0 "[ . 1 . 2 ]" 2
461 1 99 PRO QG 1 101 ASN H 4.200 . 6.600 2.982 2.299 4.665 . 0 0 "[ . 1 . 2 ]" 2
462 1 100 SER QB 1 101 ASN QD 4.000 . 6.200 3.380 2.039 4.922 . 0 0 "[ . 1 . 2 ]" 2
463 1 100 SER QB 1 101 ASN H 3.000 . 4.200 3.389 1.827 3.746 . 0 0 "[ . 1 . 2 ]" 2
464 1 100 SER QB 1 101 ASN QB 4.100 . 6.000 3.841 3.358 4.425 . 0 0 "[ . 1 . 2 ]" 2
465 1 99 PRO QG 1 102 CYS QB 3.600 . 5.400 2.915 2.110 4.292 . 0 0 "[ . 1 . 2 ]" 2
466 1 102 CYS H 1 102 CYS HB3 3.400 . 5.000 3.300 2.551 3.905 . 0 0 "[ . 1 . 2 ]" 2
467 1 102 CYS H 1 102 CYS HB2 3.500 . 5.200 3.370 2.034 3.999 . 0 0 "[ . 1 . 2 ]" 2
468 1 102 CYS QB 1 103 ARG QD 3.300 . 4.800 3.523 3.077 3.811 . 0 0 "[ . 1 . 2 ]" 2
469 1 103 ARG HA 1 103 ARG QD 3.200 . 4.600 3.612 3.269 3.949 . 0 0 "[ . 1 . 2 ]" 2
470 1 103 ARG HA 1 104 ALA MB 4.100 . 6.900 4.539 4.304 4.826 . 0 0 "[ . 1 . 2 ]" 2
471 1 103 ARG QB 1 104 ALA H 3.200 . 4.600 3.777 1.883 4.056 . 0 0 "[ . 1 . 2 ]" 2
472 1 103 ARG HA 1 103 ARG HD3 3.700 . 5.600 4.567 3.906 5.264 . 0 0 "[ . 1 . 2 ]" 2
473 1 103 ARG HA 1 103 ARG HD2 3.500 . 5.200 3.838 3.492 4.876 . 0 0 "[ . 1 . 2 ]" 2
474 1 103 ARG QD 1 104 ALA H 3.600 . 5.400 4.339 3.672 4.801 . 0 0 "[ . 1 . 2 ]" 2
475 1 103 ARG HE 1 103 ARG HG3 2.900 . 4.000 2.483 1.952 3.213 . 0 0 "[ . 1 . 2 ]" 2
476 1 103 ARG HE 1 103 ARG HG2 3.000 . 4.200 3.037 2.053 3.896 . 0 0 "[ . 1 . 2 ]" 2
477 1 82 VAL H 1 104 ALA MB 3.300 . 5.300 4.201 3.551 4.417 . 0 0 "[ . 1 . 2 ]" 2
478 1 102 CYS QB 1 104 ALA MB 3.600 . 5.900 3.542 3.151 4.335 . 0 0 "[ . 1 . 2 ]" 2
479 1 105 LYS HA 1 105 LYS QG 3.300 . 4.800 2.336 1.924 3.309 . 0 0 "[ . 1 . 2 ]" 2
480 1 105 LYS H 1 105 LYS HG3 3.300 . 4.800 4.164 2.194 4.802 0.002 7 0 "[ . 1 . 2 ]" 2
481 1 105 LYS H 1 105 LYS HG2 3.200 . 4.600 4.246 2.521 4.601 0.001 19 0 "[ . 1 . 2 ]" 2
482 1 106 VAL HB 1 107 VAL H 3.200 . 4.600 3.813 2.571 4.515 . 0 0 "[ . 1 . 2 ]" 2
483 1 77 PHE QE 1 106 VAL QG 4.200 . 5.700 3.367 2.758 3.775 . 0 0 "[ . 1 . 2 ]" 2
484 1 95 ASN QD 1 106 VAL QG 4.100 . 6.900 3.567 2.015 4.546 . 0 0 "[ . 1 . 2 ]" 2
485 1 77 PHE QD 1 106 VAL QG 4.100 . 6.900 3.899 3.330 4.374 . 0 0 "[ . 1 . 2 ]" 2
486 1 83 ILE MD 1 106 VAL QG 3.800 . 6.800 2.266 1.636 3.213 0.164 9 0 "[ . 1 . 2 ]" 2
487 1 98 LYS QE 1 106 VAL QG 3.900 . 6.500 3.493 2.169 4.295 . 0 0 "[ . 1 . 2 ]" 2
488 1 105 LYS QE 1 107 VAL QG 4.100 . 6.900 3.644 2.030 4.450 . 0 0 "[ . 1 . 2 ]" 2
489 1 107 VAL H 1 107 VAL MG1 3.600 . 5.900 3.123 1.811 3.925 . 0 0 "[ . 1 . 2 ]" 2
490 1 107 VAL QG 1 143 HIS HE1 3.400 . 5.500 2.900 1.764 3.936 0.036 1 0 "[ . 1 . 2 ]" 2
491 1 107 VAL H 1 107 VAL MG2 3.200 . 5.100 2.336 1.840 3.679 . 0 0 "[ . 1 . 2 ]" 2
492 1 107 VAL QG 1 139 PHE QE 3.500 . 5.700 2.306 1.816 3.580 . 0 0 "[ . 1 . 2 ]" 2
493 1 107 VAL QG 1 143 HIS HD2 3.400 . 5.500 3.401 1.856 4.078 . 0 0 "[ . 1 . 2 ]" 2
494 1 91 LEU QD 1 108 LEU QB 3.600 . 5.900 2.287 1.782 3.065 0.018 18 0 "[ . 1 . 2 ]" 2
495 1 108 LEU H 1 108 LEU QD 3.600 . 5.900 3.694 3.292 3.795 . 0 0 "[ . 1 . 2 ]" 2
496 1 108 LEU QD 1 109 PHE HA 3.700 . 6.100 4.213 3.498 4.499 . 0 0 "[ . 1 . 2 ]" 2
497 1 87 ASP HA 1 108 LEU QD 3.700 . 6.100 3.567 2.891 4.219 . 0 0 "[ . 1 . 2 ]" 2
498 1 87 ASP QB 1 108 LEU QD 4.400 . 7.500 4.472 3.979 4.878 . 0 0 "[ . 1 . 2 ]" 2
499 1 91 LEU QB 1 108 LEU QD 3.400 . 5.500 2.596 1.825 3.522 . 0 0 "[ . 1 . 2 ]" 2
500 1 108 LEU H 1 108 LEU HG 3.800 . 4.600 4.321 4.125 4.529 . 0 0 "[ . 1 . 2 ]" 2
501 1 109 PHE HA 1 109 PHE QD 4.000 . 6.200 2.462 1.870 3.021 . 0 0 "[ . 1 . 2 ]" 2
502 1 110 ASN HA 1 110 ASN QD 3.900 . 6.000 3.636 2.117 4.394 . 0 0 "[ . 1 . 2 ]" 2
503 1 110 ASN HA 1 111 PRO QB 3.600 . 5.400 4.595 4.543 4.684 . 0 0 "[ . 1 . 2 ]" 2
504 1 109 PHE QD 1 110 ASN QB 4.100 . 6.400 3.877 1.870 5.031 . 0 0 "[ . 1 . 2 ]" 2
505 1 111 PRO QG 1 113 ASN H 3.300 . 4.800 3.194 2.665 3.391 . 0 0 "[ . 1 . 2 ]" 2
506 1 112 PRO HA 1 113 ASN H 3.400 . 5.000 2.860 2.733 3.310 . 0 0 "[ . 1 . 2 ]" 2
507 1 112 PRO QB 1 113 ASN H 3.400 . 5.000 3.974 3.747 4.025 . 0 0 "[ . 1 . 2 ]" 2
508 1 86 LEU HG 1 115 VAL QG 3.300 . 5.300 2.608 1.864 3.766 . 0 0 "[ . 1 . 2 ]" 2
509 1 114 GLY H 1 115 VAL QG 4.200 . 7.100 3.793 2.711 4.666 . 0 0 "[ . 1 . 2 ]" 2
510 1 115 VAL HA 1 115 VAL MG2 3.300 . 5.300 2.783 2.182 3.193 . 0 0 "[ . 1 . 2 ]" 2
511 1 115 VAL H 1 115 VAL MG2 3.600 . 5.900 2.194 1.872 3.857 . 0 0 "[ . 1 . 2 ]" 2
512 1 115 VAL QG 1 132 ILE HA 3.400 . 5.500 3.959 3.340 4.094 . 0 0 "[ . 1 . 2 ]" 2
513 1 116 ASP H 1 116 ASP HB3 2.900 . 4.000 2.994 2.485 3.836 . 0 0 "[ . 1 . 2 ]" 2
514 1 116 ASP H 1 116 ASP HB2 2.800 . 3.800 3.144 2.191 3.819 0.019 16 0 "[ . 1 . 2 ]" 2
515 1 116 ASP QB 1 117 ASP H 3.300 . 4.800 3.233 1.870 4.065 . 0 0 "[ . 1 . 2 ]" 2
516 1 117 ASP H 1 117 ASP HB3 3.200 . 4.600 3.365 2.346 4.072 . 0 0 "[ . 1 . 2 ]" 2
517 1 119 TYR HA 1 119 TYR QD 3.700 . 5.600 2.360 1.860 3.051 . 0 0 "[ . 1 . 2 ]" 2
518 1 119 TYR HA 1 119 TYR QE 3.900 . 6.000 4.292 4.015 4.650 . 0 0 "[ . 1 . 2 ]" 2
519 1 119 TYR HA 1 120 TYR QB 3.600 . 5.400 4.469 4.055 4.783 . 0 0 "[ . 1 . 2 ]" 2
520 1 119 TYR HA 1 120 TYR H 3.200 . 4.600 2.853 2.264 3.580 . 0 0 "[ . 1 . 2 ]" 2
521 1 119 TYR HA 1 125 PHE QE 3.900 . 6.000 4.965 3.982 5.358 . 0 0 "[ . 1 . 2 ]" 2
522 1 119 TYR H 1 119 TYR HB3 3.300 . 4.800 3.595 2.768 4.066 . 0 0 "[ . 1 . 2 ]" 2
523 1 119 TYR H 1 119 TYR HB2 3.400 . 5.000 2.882 1.938 3.590 . 0 0 "[ . 1 . 2 ]" 2
524 1 120 TYR HB2 1 120 TYR QE 4.100 . 6.400 4.477 4.417 4.541 . 0 0 "[ . 1 . 2 ]" 2
525 1 120 TYR H 1 120 TYR HB2 3.200 . 4.600 2.763 1.938 3.204 . 0 0 "[ . 1 . 2 ]" 2
526 1 121 SER QB 1 122 SER H 4.200 . 6.600 2.699 1.878 3.760 . 0 0 "[ . 1 . 2 ]" 2
527 1 122 SER QB 1 125 PHE QB 3.600 . 5.400 4.016 3.283 4.292 . 0 0 "[ . 1 . 2 ]" 2
528 1 123 ASP QB 1 124 GLY QA 3.900 . 6.000 3.981 3.630 4.257 . 0 0 "[ . 1 . 2 ]" 2
529 1 56 VAL HB 1 125 PHE QB 3.700 . 5.600 3.066 2.001 4.791 . 0 0 "[ . 1 . 2 ]" 2
530 1 56 VAL QG 1 125 PHE QB 4.100 . 6.900 1.930 1.616 2.418 0.184 18 0 "[ . 1 . 2 ]" 2
531 1 126 PRO HA 1 126 PRO QG 3.400 . 5.000 3.513 3.509 3.527 . 0 0 "[ . 1 . 2 ]" 2
532 1 126 PRO QB 1 127 THR H 3.800 . 5.800 2.701 2.262 3.142 . 0 0 "[ . 1 . 2 ]" 2
533 1 125 PHE H 1 126 PRO QD 3.600 . 5.400 2.193 1.680 2.412 0.120 13 0 "[ . 1 . 2 ]" 2
534 1 126 PRO QD 1 127 THR H 4.100 . 6.400 2.681 2.461 3.064 . 0 0 "[ . 1 . 2 ]" 2
535 1 127 THR HA 1 127 THR MG 3.100 . 4.900 2.384 2.068 3.195 . 0 0 "[ . 1 . 2 ]" 2
536 1 127 THR H 1 127 THR HB 3.000 . 4.200 2.668 2.258 3.531 . 0 0 "[ . 1 . 2 ]" 2
537 1 127 THR HB 1 128 MET H 3.100 . 4.400 2.632 2.101 4.053 . 0 0 "[ . 1 . 2 ]" 2
538 1 124 GLY QA 1 127 THR MG 3.200 . 5.100 3.477 1.709 3.786 0.091 3 0 "[ . 1 . 2 ]" 2
539 1 127 THR H 1 127 THR MG 3.600 . 5.900 3.317 1.906 3.707 . 0 0 "[ . 1 . 2 ]" 2
540 1 128 MET HA 1 128 MET QG 2.900 . 3.600 2.411 2.050 2.804 . 0 0 "[ . 1 . 2 ]" 2
541 1 128 MET QB 1 129 PHE H 3.300 . 4.800 2.036 1.741 2.530 0.059 15 0 "[ . 1 . 2 ]" 2
542 1 24 ILE MD 1 128 MET ME 4.900 . 9.000 4.883 3.558 5.844 . 0 0 "[ . 1 . 2 ]" 2
543 1 54 GLN HA 1 128 MET ME 3.800 . 6.300 5.235 4.916 5.270 . 0 0 "[ . 1 . 2 ]" 2
544 1 125 PHE HA 1 128 MET ME 3.300 . 5.300 2.826 2.603 3.185 . 0 0 "[ . 1 . 2 ]" 2
545 1 125 PHE H 1 128 MET ME 3.700 . 6.100 5.092 5.083 5.110 . 0 0 "[ . 1 . 2 ]" 2
546 1 128 MET HA 1 128 MET ME 3.600 . 5.900 4.200 3.876 4.699 . 0 0 "[ . 1 . 2 ]" 2
547 1 128 MET ME 1 128 MET QG 3.100 . 4.900 2.249 2.045 2.370 . 0 0 "[ . 1 . 2 ]" 2
548 1 128 MET H 1 128 MET ME 3.800 . 6.300 4.240 3.858 4.611 . 0 0 "[ . 1 . 2 ]" 2
549 1 128 MET ME 1 129 PHE HA 3.400 . 5.500 3.276 2.723 3.834 . 0 0 "[ . 1 . 2 ]" 2
550 1 128 MET ME 1 129 PHE QB 3.300 . 5.300 2.764 2.176 3.582 . 0 0 "[ . 1 . 2 ]" 2
551 1 128 MET ME 1 129 PHE QD 3.400 . 5.500 3.824 2.970 4.086 . 0 0 "[ . 1 . 2 ]" 2
552 1 128 MET ME 1 129 PHE H 3.400 . 5.500 2.575 2.153 3.439 . 0 0 "[ . 1 . 2 ]" 2
553 1 128 MET ME 1 132 ILE MD 3.500 . 6.200 4.305 4.164 4.323 . 0 0 "[ . 1 . 2 ]" 2
554 1 128 MET ME 1 132 ILE MG 3.900 . 7.000 4.041 3.293 4.849 . 0 0 "[ . 1 . 2 ]" 2
555 1 24 ILE MD 1 129 PHE HA 4.000 . 6.700 3.030 1.946 3.903 . 0 0 "[ . 1 . 2 ]" 2
556 1 129 PHE HA 1 129 PHE QD 3.400 . 5.000 2.717 1.903 3.190 . 0 0 "[ . 1 . 2 ]" 2
557 1 129 PHE HA 1 132 ILE HB 3.200 . 4.600 2.776 1.806 4.577 . 0 0 "[ . 1 . 2 ]" 2
558 1 129 PHE HA 1 132 ILE MD 3.900 . 6.500 4.069 3.108 4.848 . 0 0 "[ . 1 . 2 ]" 2
559 1 129 PHE H 1 129 PHE HB3 3.200 . 4.600 2.465 2.259 2.878 . 0 0 "[ . 1 . 2 ]" 2
560 1 129 PHE H 1 129 PHE HB2 3.000 . 4.200 2.433 2.088 2.621 . 0 0 "[ . 1 . 2 ]" 2
561 1 129 PHE QD 1 130 ALA HA 3.600 . 5.400 3.185 2.286 4.445 . 0 0 "[ . 1 . 2 ]" 2
562 1 130 ALA HA 1 133 SER QB 3.600 . 5.400 3.597 2.709 4.477 . 0 0 "[ . 1 . 2 ]" 2
563 1 132 ILE HA 1 132 ILE QG 2.800 . 3.800 2.604 2.111 2.847 . 0 0 "[ . 1 . 2 ]" 2
564 1 24 ILE MD 1 132 ILE HB 3.700 . 6.100 3.616 1.875 4.327 . 0 0 "[ . 1 . 2 ]" 2
565 1 24 ILE MD 1 132 ILE MD 4.200 . 7.600 3.772 2.286 4.602 . 0 0 "[ . 1 . 2 ]" 2
566 1 128 MET HA 1 132 ILE MD 4.200 . 7.100 5.393 4.041 5.941 . 0 0 "[ . 1 . 2 ]" 2
567 1 128 MET QG 1 132 ILE MD 3.600 . 5.900 3.894 2.604 4.391 . 0 0 "[ . 1 . 2 ]" 2
568 1 129 PHE QD 1 132 ILE MD 5.000 . 8.700 4.917 3.981 5.519 . 0 0 "[ . 1 . 2 ]" 2
569 1 129 PHE QE 1 132 ILE MD 4.900 . 8.500 5.827 5.169 6.307 . 0 0 "[ . 1 . 2 ]" 2
570 1 132 ILE HA 1 132 ILE MD 3.900 . 6.500 2.682 1.773 3.827 0.027 17 0 "[ . 1 . 2 ]" 2
571 1 132 ILE MD 1 133 SER H 4.300 . 7.300 4.530 4.203 4.998 . 0 0 "[ . 1 . 2 ]" 2
572 1 24 ILE MD 1 132 ILE MG 3.600 . 6.400 1.927 1.671 2.526 0.129 4 0 "[ . 1 . 2 ]" 2
573 1 129 PHE QD 1 132 ILE MG 4.000 . 6.700 3.287 2.418 3.938 . 0 0 "[ . 1 . 2 ]" 2
574 1 129 PHE QE 1 132 ILE MG 4.200 . 7.100 4.066 3.189 5.130 . 0 0 "[ . 1 . 2 ]" 2
575 1 132 ILE HA 1 132 ILE MG 3.500 . 5.700 2.873 2.504 3.121 . 0 0 "[ . 1 . 2 ]" 2
576 1 132 ILE H 1 132 ILE MG 3.800 . 6.300 2.956 1.607 3.706 0.193 8 0 "[ . 1 . 2 ]" 2
577 1 24 ILE MD 1 133 SER HA 4.200 . 7.100 3.092 2.288 4.107 . 0 0 "[ . 1 . 2 ]" 2
578 1 24 ILE MG 1 133 SER QB 4.400 . 7.500 4.404 3.536 5.219 . 0 0 "[ . 1 . 2 ]" 2
579 1 133 SER H 1 133 SER QB 3.300 . 4.800 2.208 1.923 2.792 . 0 0 "[ . 1 . 2 ]" 2
580 1 134 LYS QB 1 135 GLU H 3.300 . 4.600 2.967 2.346 3.581 . 0 0 "[ . 1 . 2 ]" 2
581 1 134 LYS H 1 134 LYS QD 4.000 . 6.200 4.194 3.299 4.605 . 0 0 "[ . 1 . 2 ]" 2
582 1 24 ILE MD 1 136 MET ME 4.900 . 9.000 5.286 3.221 6.253 . 0 0 "[ . 1 . 2 ]" 2
583 1 132 ILE MG 1 136 MET ME 4.600 . 8.400 4.654 2.111 5.835 . 0 0 "[ . 1 . 2 ]" 2
584 1 135 GLU QB 1 136 MET ME 3.700 . 6.100 4.436 4.062 4.549 . 0 0 "[ . 1 . 2 ]" 2
585 1 135 GLU H 1 136 MET ME 4.500 . 7.700 4.966 3.320 5.639 . 0 0 "[ . 1 . 2 ]" 2
586 1 136 MET H 1 136 MET ME 3.500 . 5.700 3.705 1.787 4.303 0.013 5 0 "[ . 1 . 2 ]" 2
587 1 136 MET ME 1 137 LYS HA 3.700 . 6.100 4.875 4.186 5.104 . 0 0 "[ . 1 . 2 ]" 2
588 1 136 MET ME 1 137 LYS H 3.300 . 5.300 4.232 2.527 4.443 . 0 0 "[ . 1 . 2 ]" 2
589 1 137 LYS H 1 137 LYS HB3 3.000 . 4.200 3.272 1.992 3.532 . 0 0 "[ . 1 . 2 ]" 2
590 1 137 LYS H 1 137 LYS HB2 2.900 . 4.000 2.113 1.988 3.292 . 0 0 "[ . 1 . 2 ]" 2
591 1 137 LYS QB 1 138 PRO QD 3.200 . 4.600 1.819 1.684 2.249 0.116 4 0 "[ . 1 . 2 ]" 2
592 1 138 PRO HA 1 138 PRO QG 2.900 . 4.000 3.521 3.512 3.528 . 0 0 "[ . 1 . 2 ]" 2
593 1 138 PRO QB 1 139 PHE H 3.400 . 5.000 3.667 3.523 3.790 . 0 0 "[ . 1 . 2 ]" 2
594 1 137 LYS QG 1 138 PRO QD 4.000 . 6.200 3.520 1.764 3.751 0.036 15 0 "[ . 1 . 2 ]" 2
595 1 139 PHE HA 1 142 GLU H 3.100 . 4.400 3.874 3.257 4.360 . 0 0 "[ . 1 . 2 ]" 2
596 1 109 PHE QE 1 139 PHE QB 4.200 . 6.600 3.145 2.201 4.560 . 0 0 "[ . 1 . 2 ]" 2
597 1 139 PHE H 1 139 PHE HB3 3.400 . 5.000 2.325 2.195 2.577 . 0 0 "[ . 1 . 2 ]" 2
598 1 139 PHE H 1 139 PHE HB2 3.300 . 4.800 2.863 2.480 3.054 . 0 0 "[ . 1 . 2 ]" 2
599 1 140 LEU HA 1 140 LEU HG 3.600 . 5.400 2.829 1.922 3.608 . 0 0 "[ . 1 . 2 ]" 2
600 1 140 LEU HA 1 141 THR H 3.700 . 5.600 3.512 3.319 3.591 . 0 0 "[ . 1 . 2 ]" 2
601 1 140 LEU HA 1 145 LEU QB 3.200 . 4.600 3.357 1.965 4.101 . 0 0 "[ . 1 . 2 ]" 2
602 1 139 PHE QD 1 140 LEU QD 4.200 . 7.100 3.216 2.149 4.009 . 0 0 "[ . 1 . 2 ]" 2
603 1 139 PHE QE 1 140 LEU QD 3.800 . 6.300 3.773 2.108 4.166 . 0 0 "[ . 1 . 2 ]" 2
604 1 140 LEU HA 1 140 LEU MD1 3.600 . 5.900 2.847 1.860 3.814 . 0 0 "[ . 1 . 2 ]" 2
605 1 137 LYS HA 1 140 LEU QD 4.100 . 6.900 4.162 2.535 5.111 . 0 0 "[ . 1 . 2 ]" 2
606 1 140 LEU HG 1 145 LEU QD 4.100 . 6.900 3.208 1.812 5.044 . 0 0 "[ . 1 . 2 ]" 2
607 1 141 THR HA 1 141 THR MG 3.000 . 4.500 2.375 2.071 2.527 . 0 0 "[ . 1 . 2 ]" 2
608 1 141 THR HA 1 142 GLU QG 3.600 . 5.400 4.630 4.228 4.811 . 0 0 "[ . 1 . 2 ]" 2
609 1 141 THR HA 1 142 GLU H 3.500 . 5.200 3.531 3.412 3.603 . 0 0 "[ . 1 . 2 ]" 2
610 1 141 THR HA 1 144 GLY H 3.700 . 5.600 4.893 4.300 5.611 0.011 7 0 "[ . 1 . 2 ]" 2
611 1 141 THR HA 1 146 ILE MG 3.400 . 5.500 3.339 1.709 4.200 0.091 12 0 "[ . 1 . 2 ]" 2
612 1 141 THR HA 1 146 ILE H 3.200 . 4.600 2.919 2.134 4.600 . 15 0 "[ . 1 . 2 ]" 2
613 1 139 PHE H 1 141 THR HB 3.100 . 4.400 4.231 3.858 4.408 0.008 2 0 "[ . 1 . 2 ]" 2
614 1 141 THR MG 1 146 ILE H 4.000 . 6.700 4.375 3.647 5.339 . 0 0 "[ . 1 . 2 ]" 2
615 1 141 THR MG 1 142 GLU HA 3.700 . 6.100 3.714 3.294 4.410 . 0 0 "[ . 1 . 2 ]" 2
616 1 141 THR H 1 142 GLU HA 3.700 . 5.600 5.317 5.023 5.604 0.004 17 0 "[ . 1 . 2 ]" 2
617 1 142 GLU HA 1 142 GLU QG 2.600 . 3.400 2.344 2.037 2.876 . 0 0 "[ . 1 . 2 ]" 2
618 1 142 GLU HA 1 144 GLY H 3.800 . 5.800 3.730 3.406 4.491 . 0 0 "[ . 1 . 2 ]" 2
619 1 142 GLU HA 1 142 GLU HG3 2.900 . 4.000 3.306 2.300 3.793 . 0 0 "[ . 1 . 2 ]" 2
620 1 142 GLU HA 1 142 GLU HG2 2.900 . 4.000 2.463 2.056 2.979 . 0 0 "[ . 1 . 2 ]" 2
621 1 142 GLU H 1 142 GLU HG3 3.000 . 4.200 3.158 2.238 3.799 . 0 0 "[ . 1 . 2 ]" 2
622 1 107 VAL QG 1 143 HIS QB 4.100 . 6.900 4.336 3.347 4.566 . 0 0 "[ . 1 . 2 ]" 2
623 1 143 HIS HB2 1 143 HIS HD2 3.800 . 5.800 3.376 2.751 3.992 . 0 0 "[ . 1 . 2 ]" 2
624 1 143 HIS H 1 143 HIS HB3 3.200 . 4.600 3.180 2.511 3.531 . 0 0 "[ . 1 . 2 ]" 2
625 1 143 HIS H 1 143 HIS HB2 3.200 . 4.600 2.164 1.970 2.467 . 0 0 "[ . 1 . 2 ]" 2
626 1 140 LEU QD 1 145 LEU HA 3.800 . 6.300 4.366 3.674 4.675 . 0 0 "[ . 1 . 2 ]" 2
627 1 145 LEU HA 1 145 LEU QD 3.000 . 4.700 2.387 1.804 2.997 . 0 0 "[ . 1 . 2 ]" 2
628 1 145 LEU HA 1 146 ILE H 3.300 . 4.800 3.383 2.311 3.593 . 0 0 "[ . 1 . 2 ]" 2
629 1 140 LEU QD 1 145 LEU QB 3.700 . 5.900 2.092 1.679 2.820 0.121 17 0 "[ . 1 . 2 ]" 2
630 1 3 GLU H 1 145 LEU QD 4.500 . 7.700 4.961 3.345 5.699 . 0 0 "[ . 1 . 2 ]" 2
631 1 4 LYS QE 1 145 LEU QD 4.300 . 7.300 4.596 3.718 4.837 . 0 0 "[ . 1 . 2 ]" 2
632 1 145 LEU HA 1 145 LEU MD1 3.000 . 4.700 3.262 1.890 3.850 . 0 0 "[ . 1 . 2 ]" 2
633 1 145 LEU H 1 145 LEU MD1 3.500 . 5.700 4.132 2.472 4.782 . 0 0 "[ . 1 . 2 ]" 2
634 1 145 LEU QD 1 146 ILE H 3.900 . 6.500 3.425 1.768 4.307 0.032 17 0 "[ . 1 . 2 ]" 2
635 1 140 LEU QB 1 145 LEU QD 3.900 . 6.500 3.411 1.926 4.293 . 0 0 "[ . 1 . 2 ]" 2
636 1 144 GLY QA 1 145 LEU QD 4.300 . 7.300 4.035 2.266 4.694 . 0 0 "[ . 1 . 2 ]" 2
637 1 140 LEU QD 1 146 ILE HA 4.000 . 6.700 4.708 3.905 4.977 . 0 0 "[ . 1 . 2 ]" 2
638 1 145 LEU H 1 146 ILE HA 3.100 . 4.400 4.329 4.160 4.433 0.033 18 0 "[ . 1 . 2 ]" 2
639 1 146 ILE HA 1 146 ILE MG 2.800 . 4.300 2.865 2.226 3.200 . 0 0 "[ . 1 . 2 ]" 2
640 1 141 THR H 1 146 ILE MD 3.800 . 6.300 5.103 4.290 5.259 . 0 0 "[ . 1 . 2 ]" 2
641 1 146 ILE HA 1 146 ILE MD 3.300 . 5.300 2.804 1.836 4.138 . 0 0 "[ . 1 . 2 ]" 2
642 1 146 ILE H 1 146 ILE MD 3.300 . 5.300 3.832 1.936 4.432 . 0 0 "[ . 1 . 2 ]" 2
643 1 140 LEU HG 1 146 ILE MG 3.900 . 6.500 4.936 3.616 5.425 . 0 0 "[ . 1 . 2 ]" 2
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