NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
379078 |
1hov   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1hov
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 834
_Distance_constraint_stats_list.Viol_count 580
_Distance_constraint_stats_list.Viol_total 553.128
_Distance_constraint_stats_list.Viol_max 0.452
_Distance_constraint_stats_list.Viol_rms 0.0315
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0055
_Distance_constraint_stats_list.Viol_average_violations_only 0.0867
_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 7 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 8 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 9 PRO 0.954 0.151 10 0 "[ . 1 ]"
1 10 LYS 1.003 0.151 10 0 "[ . 1 ]"
1 11 TRP 0.131 0.060 10 0 "[ . 1 ]"
1 12 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 13 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 14 ASN 0.057 0.057 1 0 "[ . 1 ]"
1 15 GLN 0.038 0.038 11 0 "[ . 1 ]"
1 16 ILE 0.813 0.103 4 0 "[ . 1 ]"
1 17 THR 0.732 0.102 2 0 "[ . 1 ]"
1 18 TYR 0.146 0.065 7 0 "[ . 1 ]"
1 19 ARG 0.587 0.111 6 0 "[ . 1 ]"
1 20 ILE 0.142 0.076 4 0 "[ . 1 ]"
1 21 ILE 0.021 0.021 4 0 "[ . 1 ]"
1 22 GLY 0.546 0.105 7 0 "[ . 1 ]"
1 23 TYR 0.484 0.105 7 0 "[ . 1 ]"
1 24 THR 0.164 0.068 2 0 "[ . 1 ]"
1 25 PRO 0.178 0.065 2 0 "[ . 1 ]"
1 26 ASP 0.426 0.068 2 0 "[ . 1 ]"
1 27 LEU 2.814 0.318 10 0 "[ . 1 ]"
1 28 ASP 3.976 0.416 10 0 "[ . 1 ]"
1 29 PRO 1.502 0.386 10 0 "[ . 1 ]"
1 30 GLU 0.707 0.072 10 0 "[ . 1 ]"
1 31 THR 5.089 0.416 10 0 "[ . 1 ]"
1 32 VAL 3.249 0.386 10 0 "[ . 1 ]"
1 33 ASP 0.887 0.096 3 0 "[ . 1 ]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 36 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 38 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 39 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 40 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 41 GLN 0.225 0.085 4 0 "[ . 1 ]"
1 42 VAL 1.574 0.144 7 0 "[ . 1 ]"
1 43 TRP 2.251 0.144 7 0 "[ . 1 ]"
1 44 SER 0.747 0.131 4 0 "[ . 1 ]"
1 45 ASP 0.778 0.118 2 0 "[ . 1 ]"
1 46 VAL 0.495 0.162 9 0 "[ . 1 ]"
1 47 THR 0.302 0.086 2 0 "[ . 1 ]"
1 48 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 49 LEU 0.511 0.131 4 0 "[ . 1 ]"
1 50 ARG 0.057 0.038 11 0 "[ . 1 ]"
1 51 PHE 0.200 0.083 3 0 "[ . 1 ]"
1 52 SER 0.460 0.103 4 0 "[ . 1 ]"
1 53 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 54 ILE 1.355 0.165 8 0 "[ . 1 ]"
1 55 HIS 0.044 0.044 3 0 "[ . 1 ]"
1 58 GLU 0.013 0.013 1 0 "[ . 1 ]"
1 59 ALA 0.470 0.165 8 0 "[ . 1 ]"
1 60 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 61 ILE 1.674 0.363 11 0 "[ . 1 ]"
1 62 MET 0.962 0.128 10 0 "[ . 1 ]"
1 63 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 64 ASN 4.169 0.396 6 0 "[ . 1 ]"
1 65 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 66 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 67 ARG 0.076 0.048 11 0 "[ . 1 ]"
1 68 TRP 0.118 0.055 11 0 "[ . 1 ]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 70 HIS 0.000 0.000 . 0 "[ . 1 ]"
1 72 ASP 3.293 0.387 5 0 "[ . 1 ]"
1 74 TYR 0.000 0.000 . 0 "[ . 1 ]"
1 75 PRO 0.018 0.018 7 0 "[ . 1 ]"
1 76 PHE 1.483 0.222 8 0 "[ . 1 ]"
1 77 ASP 0.029 0.019 9 0 "[ . 1 ]"
1 78 GLY 1.387 0.222 8 0 "[ . 1 ]"
1 79 LYS 0.101 0.099 1 0 "[ . 1 ]"
1 80 ASP 0.118 0.099 1 0 "[ . 1 ]"
1 81 GLY 0.016 0.009 4 0 "[ . 1 ]"
1 82 LEU 0.778 0.110 8 0 "[ . 1 ]"
1 83 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 84 ALA 0.906 0.110 8 0 "[ . 1 ]"
1 85 HIS 0.000 0.000 . 0 "[ . 1 ]"
1 86 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 87 PHE 0.013 0.013 8 0 "[ . 1 ]"
1 88 ALA 0.013 0.013 8 0 "[ . 1 ]"
1 89 PRO 0.082 0.060 10 0 "[ . 1 ]"
1 90 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 91 THR 0.000 0.000 . 0 "[ . 1 ]"
1 92 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 93 VAL 0.754 0.120 6 0 "[ . 1 ]"
1 94 GLY 0.368 0.120 6 0 "[ . 1 ]"
1 95 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 96 ASP 0.236 0.067 6 0 "[ . 1 ]"
1 97 SER 0.000 0.000 . 0 "[ . 1 ]"
1 98 HIS 0.000 0.000 . 0 "[ . 1 ]"
1 99 PHE 0.517 0.120 1 0 "[ . 1 ]"
1 100 ASP 0.131 0.071 6 0 "[ . 1 ]"
1 101 ASP 0.095 0.062 7 0 "[ . 1 ]"
1 102 ASP 0.095 0.062 7 0 "[ . 1 ]"
1 103 GLU 0.030 0.030 7 0 "[ . 1 ]"
1 104 LEU 0.738 0.250 3 0 "[ . 1 ]"
1 105 TRP 0.419 0.161 8 0 "[ . 1 ]"
1 106 THR 2.491 0.300 7 0 "[ . 1 ]"
1 107 ASN 0.698 0.147 11 0 "[ . 1 ]"
1 108 THR 0.033 0.031 8 0 "[ . 1 ]"
1 110 ALA 0.113 0.050 3 0 "[ . 1 ]"
1 111 ASN 0.113 0.050 3 0 "[ . 1 ]"
1 112 TYR 0.421 0.161 8 0 "[ . 1 ]"
1 113 SER 0.079 0.034 6 0 "[ . 1 ]"
1 114 LEU 2.742 0.300 7 0 "[ . 1 ]"
1 115 PHE 0.230 0.081 6 0 "[ . 1 ]"
1 116 LEU 1.447 0.143 10 0 "[ . 1 ]"
1 117 VAL 1.969 0.138 9 0 "[ . 1 ]"
1 118 ALA 0.571 0.112 3 0 "[ . 1 ]"
1 119 ALA 0.576 0.138 7 0 "[ . 1 ]"
1 120 HIS 0.432 0.106 8 0 "[ . 1 ]"
1 121 GLU 0.990 0.135 3 0 "[ . 1 ]"
1 122 PHE 0.059 0.059 3 0 "[ . 1 ]"
1 123 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 124 HIS 0.000 0.000 . 0 "[ . 1 ]"
1 125 ALA 0.903 0.135 3 0 "[ . 1 ]"
1 126 MET 0.002 0.002 1 0 "[ . 1 ]"
1 127 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 128 LEU 0.303 0.112 11 0 "[ . 1 ]"
1 129 GLU 0.884 0.150 3 0 "[ . 1 ]"
1 130 HIS 0.954 0.150 3 0 "[ . 1 ]"
1 131 SER 0.000 0.000 . 0 "[ . 1 ]"
1 132 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 133 ASP 0.023 0.023 1 0 "[ . 1 ]"
1 134 PRO 0.009 0.009 11 0 "[ . 1 ]"
1 135 GLY 0.009 0.009 11 0 "[ . 1 ]"
1 136 ALA 0.023 0.023 1 0 "[ . 1 ]"
1 137 LEU 0.504 0.106 8 0 "[ . 1 ]"
1 138 MET 0.054 0.041 9 0 "[ . 1 ]"
1 139 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 140 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 141 ILE 0.437 0.161 4 0 "[ . 1 ]"
1 142 TYR 0.148 0.075 1 0 "[ . 1 ]"
1 143 THR 0.405 0.078 8 0 "[ . 1 ]"
1 144 TYR 0.484 0.123 5 0 "[ . 1 ]"
1 145 THR 0.160 0.050 11 0 "[ . 1 ]"
1 146 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 148 PHE 0.304 0.105 4 0 "[ . 1 ]"
1 149 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 150 LEU 0.332 0.105 3 0 "[ . 1 ]"
1 151 SER 0.000 0.000 . 0 "[ . 1 ]"
1 152 GLN 5.788 0.452 8 0 "[ . 1 ]"
1 153 ASP 0.390 0.085 4 0 "[ . 1 ]"
1 154 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 155 ILE 6.311 0.452 8 0 "[ . 1 ]"
1 156 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 157 GLY 0.153 0.098 1 0 "[ . 1 ]"
1 158 ILE 0.421 0.162 9 0 "[ . 1 ]"
1 159 GLN 0.428 0.114 11 0 "[ . 1 ]"
1 160 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 161 LEU 0.137 0.088 6 0 "[ . 1 ]"
1 162 TYR 0.374 0.114 11 0 "[ . 1 ]"
1 163 GLY 0.000 0.000 . 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 PRO HA 1 9 PRO QG 3.070 . 4.060 3.568 3.559 3.577 . 0 0 "[ . 1 ]" 1
2 1 8 LYS QB 1 10 LYS HA 3.280 . 4.320 3.932 3.795 4.076 . 0 0 "[ . 1 ]" 1
3 1 10 LYS QB 1 10 LYS QD 3.200 . 4.200 2.098 1.932 2.389 . 0 0 "[ . 1 ]" 1
4 1 10 LYS QB 1 10 LYS QE 3.000 . 4.200 2.934 1.827 3.414 . 0 0 "[ . 1 ]" 1
5 1 13 LYS HA 1 13 LYS QD 3.380 . 4.450 3.665 1.841 4.087 . 0 0 "[ . 1 ]" 1
6 1 13 LYS HA 1 13 LYS QG 3.490 . 4.590 2.948 2.206 3.374 . 0 0 "[ . 1 ]" 1
7 1 15 GLN HA 1 15 GLN QG 2.700 . 3.600 2.526 2.014 3.303 . 0 0 "[ . 1 ]" 1
8 1 11 TRP QB 1 16 ILE MD 4.460 . 5.940 3.950 3.577 4.249 . 0 0 "[ . 1 ]" 1
9 1 13 LYS QE 1 16 ILE MD 4.010 . 5.460 3.762 3.542 3.964 . 0 0 "[ . 1 ]" 1
10 1 13 LYS QG 1 16 ILE MD 4.580 . 6.180 3.674 2.870 4.419 . 0 0 "[ . 1 ]" 1
11 1 16 ILE HA 1 16 ILE HB 2.930 . 3.660 3.000 2.958 3.036 . 0 0 "[ . 1 ]" 1
12 1 16 ILE HA 1 16 ILE MD 3.270 . 4.310 3.034 2.130 3.802 . 0 0 "[ . 1 ]" 1
13 1 16 ILE HB 1 16 ILE MD 3.440 . 4.530 2.771 2.099 3.216 . 0 0 "[ . 1 ]" 1
14 1 16 ILE HA 1 16 ILE QG 3.200 . 4.230 2.756 2.247 3.279 . 0 0 "[ . 1 ]" 1
15 1 16 ILE HA 1 16 ILE MG 3.060 . 4.050 2.218 1.992 2.504 . 0 0 "[ . 1 ]" 1
16 1 17 THR HA 1 17 THR HB 2.400 . 3.000 2.738 2.534 2.894 . 0 0 "[ . 1 ]" 1
17 1 17 THR HA 1 17 THR MG 2.700 . 3.600 2.041 1.898 2.251 . 0 0 "[ . 1 ]" 1
18 1 19 ARG HA 1 19 ARG QG 3.500 . 4.600 2.888 2.019 3.337 . 0 0 "[ . 1 ]" 1
19 1 20 ILE HA 1 20 ILE HB 3.000 . 3.750 2.981 2.466 3.043 . 0 0 "[ . 1 ]" 1
20 1 20 ILE HB 1 20 ILE MD 3.040 . 4.020 2.065 1.905 2.671 . 0 0 "[ . 1 ]" 1
21 1 20 ILE HA 1 20 ILE QG 3.470 . 4.560 2.535 2.378 3.269 . 0 0 "[ . 1 ]" 1
22 1 20 ILE HA 1 20 ILE MG 3.160 . 4.180 2.230 2.072 2.401 . 0 0 "[ . 1 ]" 1
23 1 21 ILE HA 1 21 ILE HB 2.530 . 3.160 3.020 2.967 3.034 . 0 0 "[ . 1 ]" 1
24 1 21 ILE HA 1 21 ILE MD 3.780 . 4.950 2.794 1.779 3.890 0.021 4 0 "[ . 1 ]" 1
25 1 21 ILE HA 1 21 ILE QG 3.090 . 4.000 2.754 2.252 3.231 . 0 0 "[ . 1 ]" 1
26 1 21 ILE HA 1 21 ILE MG 3.290 . 4.340 2.256 2.110 2.445 . 0 0 "[ . 1 ]" 1
27 1 20 ILE MD 1 23 TYR QD 3.510 . 5.060 2.779 1.781 3.766 0.019 11 0 "[ . 1 ]" 1
28 1 20 ILE MG 1 23 TYR QD 3.900 . 5.550 2.426 1.761 3.400 0.039 9 0 "[ . 1 ]" 1
29 1 23 TYR HA 1 23 TYR QD 3.070 . 4.290 2.836 1.896 3.656 . 0 0 "[ . 1 ]" 1
30 1 24 THR HA 1 24 THR HB 2.590 . 3.240 2.447 2.279 2.753 . 0 0 "[ . 1 ]" 1
31 1 24 THR HA 1 24 THR MG 3.130 . 4.140 3.166 3.111 3.194 . 0 0 "[ . 1 ]" 1
32 1 24 THR HA 1 25 PRO QD 2.730 . 3.640 1.881 1.807 2.244 . 0 0 "[ . 1 ]" 1
33 1 25 PRO HA 1 25 PRO QG 2.980 . 3.950 3.562 3.548 3.568 . 0 0 "[ . 1 ]" 1
34 1 24 THR MG 1 26 ASP QB 3.770 . 5.020 3.256 2.344 3.750 . 0 0 "[ . 1 ]" 1
35 1 27 LEU HA 1 27 LEU QD . . 4.200 3.195 2.624 3.366 . 0 0 "[ . 1 ]" 1
36 1 27 LEU HA 1 27 LEU HG 2.650 . 3.310 3.382 2.746 3.513 0.203 4 0 "[ . 1 ]" 1
37 1 23 TYR QD 1 29 PRO HA 3.000 . 4.200 3.185 2.236 4.048 . 0 0 "[ . 1 ]" 1
38 1 23 TYR QD 1 29 PRO QB 3.840 . 5.480 3.363 2.297 4.318 . 0 0 "[ . 1 ]" 1
39 1 28 ASP HA 1 29 PRO QD 2.700 . 3.600 1.905 1.852 1.942 . 0 0 "[ . 1 ]" 1
40 1 28 ASP QB 1 29 PRO QD 3.520 . 4.850 2.562 2.173 2.855 . 0 0 "[ . 1 ]" 1
41 1 28 ASP HA 1 29 PRO QG 3.140 . 4.150 3.844 3.790 3.882 . 0 0 "[ . 1 ]" 1
42 1 30 GLU HA 1 30 GLU QG 2.700 . 3.600 2.667 2.228 3.299 . 0 0 "[ . 1 ]" 1
43 1 27 LEU QB 1 31 THR HB 3.400 . 4.480 3.206 2.411 3.799 . 0 0 "[ . 1 ]" 1
44 1 27 LEU QD 1 31 THR HB 4.680 . 6.140 3.159 2.506 4.106 . 0 0 "[ . 1 ]" 1
45 1 27 LEU QD 1 31 THR MG 3.850 . 4.800 2.246 1.901 2.759 . 0 0 "[ . 1 ]" 1
46 1 31 THR HA 1 31 THR HB 2.400 . 3.000 3.024 3.014 3.039 0.039 4 0 "[ . 1 ]" 1
47 1 31 THR HA 1 31 THR MG 2.700 . 3.600 2.487 2.311 2.588 . 0 0 "[ . 1 ]" 1
48 1 20 ILE MD 1 32 VAL QG 5.670 . 7.760 3.879 3.355 4.758 . 0 0 "[ . 1 ]" 1
49 1 20 ILE MG 1 32 VAL QG 5.480 . 7.530 3.843 3.478 4.324 . 0 0 "[ . 1 ]" 1
50 1 23 TYR QD 1 32 VAL HB 3.780 . 5.180 4.027 2.710 4.543 . 0 0 "[ . 1 ]" 1
51 1 23 TYR QD 1 32 VAL QG 4.030 . 5.940 2.195 1.805 2.589 . 0 0 "[ . 1 ]" 1
52 1 27 LEU QD 1 32 VAL HA 4.660 . 6.280 2.536 1.815 3.630 . 0 0 "[ . 1 ]" 1
53 1 27 LEU QB 1 32 VAL QG 4.500 . 6.300 3.813 3.351 4.168 . 0 0 "[ . 1 ]" 1
54 1 27 LEU QD 1 32 VAL QG 4.920 . 7.050 1.804 1.482 2.616 0.318 10 0 "[ . 1 ]" 1
55 1 29 PRO HA 1 32 VAL HB 2.590 . 3.240 3.312 3.045 3.626 0.386 10 0 "[ . 1 ]" 1
56 1 29 PRO HA 1 32 VAL QG 3.720 . 5.100 2.144 1.612 2.878 0.188 10 0 "[ . 1 ]" 1
57 1 20 ILE MD 1 33 ASP HA 3.580 . 4.700 3.588 2.997 3.844 . 0 0 "[ . 1 ]" 1
58 1 23 TYR QD 1 33 ASP HA 3.720 . 5.100 4.338 3.325 4.943 . 0 0 "[ . 1 ]" 1
59 1 30 GLU HA 1 33 ASP QB 3.190 . 4.140 2.409 2.029 2.758 . 0 0 "[ . 1 ]" 1
60 1 31 THR HA 1 34 ASP QB 2.910 . 3.860 2.414 2.101 2.790 . 0 0 "[ . 1 ]" 1
61 1 32 VAL HA 1 35 ALA MB 3.720 . 4.880 2.824 2.450 3.171 . 0 0 "[ . 1 ]" 1
62 1 20 ILE MD 1 36 PHE QE 4.190 . 5.910 3.459 2.113 4.529 . 0 0 "[ . 1 ]" 1
63 1 32 VAL QG 1 36 PHE QE 5.340 . 5.910 2.693 2.208 3.460 . 0 0 "[ . 1 ]" 1
64 1 32 VAL QG 1 36 PHE HZ 4.620 . 6.220 3.877 3.331 4.397 . 0 0 "[ . 1 ]" 1
65 1 36 PHE HA 1 36 PHE QD 3.260 . 4.520 2.509 1.867 3.127 . 0 0 "[ . 1 ]" 1
66 1 34 ASP HA 1 37 ALA MB 2.850 . 3.790 2.190 1.917 2.506 . 0 0 "[ . 1 ]" 1
67 1 35 ALA HA 1 38 ARG QB 3.470 . 4.560 3.157 2.823 3.439 . 0 0 "[ . 1 ]" 1
68 1 38 ARG QB 1 38 ARG QD 3.000 . 4.200 2.116 1.915 2.357 . 0 0 "[ . 1 ]" 1
69 1 38 ARG HA 1 38 ARG QG 2.700 . 3.600 2.227 1.948 2.621 . 0 0 "[ . 1 ]" 1
70 1 36 PHE HA 1 39 ALA MB 3.530 . 4.640 2.299 2.035 2.704 . 0 0 "[ . 1 ]" 1
71 1 36 PHE QD 1 39 ALA MB 4.370 . 6.140 3.667 2.999 4.354 . 0 0 "[ . 1 ]" 1
72 1 37 ALA HA 1 40 PHE QD 3.510 . 4.840 3.368 2.167 4.389 . 0 0 "[ . 1 ]" 1
73 1 40 PHE HA 1 40 PHE QD 3.000 . 4.200 2.557 2.121 3.218 . 0 0 "[ . 1 ]" 1
74 1 41 GLN HA 1 41 GLN QG 2.700 . 3.600 2.165 1.935 2.551 . 0 0 "[ . 1 ]" 1
75 1 42 VAL HA 1 42 VAL HB 2.430 . 3.040 2.693 2.624 2.746 . 0 0 "[ . 1 ]" 1
76 1 43 TRP HA 1 43 TRP HD1 2.630 . 3.290 3.188 2.858 3.368 0.078 3 0 "[ . 1 ]" 1
77 1 43 TRP HA 1 46 VAL QG 3.670 . 5.040 2.676 2.247 2.936 . 0 0 "[ . 1 ]" 1
78 1 45 ASP QB 1 46 VAL QG 4.980 . 6.810 3.602 2.657 4.409 . 0 0 "[ . 1 ]" 1
79 1 46 VAL HA 1 46 VAL HB 2.400 . 3.000 2.453 2.368 2.535 . 0 0 "[ . 1 ]" 1
80 1 46 VAL QG 1 47 THR MG 3.390 . 4.910 2.181 1.714 2.835 0.086 6 0 "[ . 1 ]" 1
81 1 47 THR HA 1 47 THR HB 2.520 . 3.150 2.464 2.261 2.809 . 0 0 "[ . 1 ]" 1
82 1 47 THR HA 1 47 THR MG 2.700 . 3.600 2.871 2.016 3.169 . 0 0 "[ . 1 ]" 1
83 1 47 THR HA 1 48 PRO QD 2.700 . 3.600 1.876 1.823 2.002 . 0 0 "[ . 1 ]" 1
84 1 47 THR HB 1 48 PRO QD 2.860 . 3.640 2.976 2.320 3.334 . 0 0 "[ . 1 ]" 1
85 1 47 THR MG 1 48 PRO QD 3.420 . 4.650 3.287 1.980 3.602 . 0 0 "[ . 1 ]" 1
86 1 14 ASN HA 1 49 LEU HA 2.910 . 3.640 2.942 2.309 3.697 0.057 1 0 "[ . 1 ]" 1
87 1 14 ASN QB 1 49 LEU HA 3.500 . 4.550 3.748 3.237 4.103 . 0 0 "[ . 1 ]" 1
88 1 14 ASN HA 1 49 LEU QD 3.020 . 4.230 2.268 1.823 3.060 . 0 0 "[ . 1 ]" 1
89 1 14 ASN QB 1 49 LEU QD 4.990 . 6.910 3.755 3.456 4.254 . 0 0 "[ . 1 ]" 1
90 1 16 ILE MD 1 49 LEU QD 5.700 . 6.450 2.267 1.710 2.946 0.090 7 0 "[ . 1 ]" 1
91 1 47 THR MG 1 49 LEU QD 4.150 . 5.860 2.649 1.900 3.317 . 0 0 "[ . 1 ]" 1
92 1 49 LEU HA 1 49 LEU QD 4.120 . 4.250 2.252 1.820 3.077 . 0 0 "[ . 1 ]" 1
93 1 49 LEU HA 1 49 LEU HG 2.870 . 3.590 2.527 1.931 3.586 . 0 0 "[ . 1 ]" 1
94 1 15 GLN HA 1 50 ARG QB 3.380 . 4.450 2.366 1.762 3.475 0.038 11 0 "[ . 1 ]" 1
95 1 50 ARG HA 1 50 ARG QD 2.700 . 3.600 2.419 1.990 3.038 . 0 0 "[ . 1 ]" 1
96 1 50 ARG HA 1 50 ARG QG 3.210 . 4.240 2.448 2.053 2.973 . 0 0 "[ . 1 ]" 1
97 1 16 ILE HB 1 51 PHE HA 2.930 . 3.660 2.760 2.444 3.162 . 0 0 "[ . 1 ]" 1
98 1 16 ILE HB 1 51 PHE QD 3.300 . 4.580 2.833 1.727 3.857 0.073 3 0 "[ . 1 ]" 1
99 1 16 ILE MG 1 51 PHE QD 4.510 . 6.310 3.648 2.648 4.461 . 0 0 "[ . 1 ]" 1
100 1 16 ILE HB 1 51 PHE QE 3.610 . 4.960 3.577 2.822 4.219 . 0 0 "[ . 1 ]" 1
101 1 16 ILE MD 1 51 PHE QE 4.380 . 6.150 3.256 1.717 4.451 0.083 3 0 "[ . 1 ]" 1
102 1 16 ILE MG 1 51 PHE QE 4.150 . 5.860 3.502 2.480 4.397 . 0 0 "[ . 1 ]" 1
103 1 49 LEU QD 1 51 PHE QE 4.650 . 6.710 2.239 1.775 2.793 0.025 5 0 "[ . 1 ]" 1
104 1 51 PHE HA 1 51 PHE QD 3.090 . 4.310 2.614 1.915 3.074 . 0 0 "[ . 1 ]" 1
105 1 17 THR MG 1 52 SER QB 3.090 . 4.200 2.033 1.772 2.363 0.028 11 0 "[ . 1 ]" 1
106 1 17 THR HA 1 52 SER QB 3.380 . 4.450 2.818 2.544 3.179 . 0 0 "[ . 1 ]" 1
107 1 53 ARG HA 1 53 ARG QD 3.460 . 4.550 4.007 3.642 4.204 . 0 0 "[ . 1 ]" 1
108 1 53 ARG QB 1 53 ARG QD 3.180 . 4.430 2.134 1.888 2.654 . 0 0 "[ . 1 ]" 1
109 1 53 ARG HA 1 53 ARG QG 3.460 . 4.290 2.875 2.244 3.351 . 0 0 "[ . 1 ]" 1
110 1 17 THR HB 1 54 ILE MD 3.700 . 4.850 2.124 1.730 3.485 0.070 2 0 "[ . 1 ]" 1
111 1 17 THR MG 1 54 ILE MD 3.100 . 4.320 2.375 1.723 2.808 0.077 7 0 "[ . 1 ]" 1
112 1 17 THR HA 1 54 ILE MG 4.250 . 5.540 3.808 3.291 4.402 . 0 0 "[ . 1 ]" 1
113 1 17 THR HB 1 54 ILE MG 3.590 . 4.710 3.142 2.603 3.749 . 0 0 "[ . 1 ]" 1
114 1 17 THR MG 1 54 ILE MG 3.000 . 4.200 2.098 1.698 2.544 0.102 2 0 "[ . 1 ]" 1
115 1 54 ILE HA 1 54 ILE HB 2.400 . 3.000 2.531 2.386 2.679 . 0 0 "[ . 1 ]" 1
116 1 54 ILE HA 1 54 ILE MD 4.120 . 5.380 3.747 3.187 4.121 . 0 0 "[ . 1 ]" 1
117 1 54 ILE HB 1 54 ILE MD 3.170 . 4.190 2.642 2.106 3.186 . 0 0 "[ . 1 ]" 1
118 1 54 ILE HA 1 54 ILE MG 2.750 . 3.660 2.329 2.036 3.154 . 0 0 "[ . 1 ]" 1
119 1 54 ILE HA 1 55 HIS HD2 3.120 . 3.900 3.166 2.398 3.944 0.044 3 0 "[ . 1 ]" 1
120 1 58 GLU HA 1 58 GLU QG 2.700 . 3.600 2.178 1.911 3.201 . 0 0 "[ . 1 ]" 1
121 1 17 THR HB 1 59 ALA MB 3.980 . 5.200 3.326 2.694 3.929 . 0 0 "[ . 1 ]" 1
122 1 18 TYR HA 1 59 ALA MB 3.450 . 4.540 2.507 1.858 2.978 . 0 0 "[ . 1 ]" 1
123 1 19 ARG QB 1 59 ALA MB 4.150 . 5.640 1.958 1.753 2.598 0.047 9 0 "[ . 1 ]" 1
124 1 54 ILE MD 1 59 ALA HA 3.010 . 3.990 2.188 1.767 2.934 0.033 10 0 "[ . 1 ]" 1
125 1 54 ILE QG 1 59 ALA HA 3.230 . 4.260 3.294 2.435 3.806 . 0 0 "[ . 1 ]" 1
126 1 54 ILE MG 1 59 ALA HA 4.100 . 5.350 4.135 3.034 4.462 . 0 0 "[ . 1 ]" 1
127 1 54 ILE MD 1 59 ALA MB 3.930 . 5.360 2.103 1.635 3.279 0.165 8 0 "[ . 1 ]" 1
128 1 16 ILE MG 1 60 ASP QB 4.100 . 5.570 3.102 2.489 3.956 . 0 0 "[ . 1 ]" 1
129 1 16 ILE MG 1 61 ILE MD 4.040 . 5.500 2.081 1.810 2.497 . 0 0 "[ . 1 ]" 1
130 1 18 TYR HA 1 61 ILE HB 3.130 . 3.910 3.379 1.915 3.959 0.049 6 0 "[ . 1 ]" 1
131 1 18 TYR HA 1 61 ILE MD 4.370 . 5.690 3.715 3.242 4.424 . 0 0 "[ . 1 ]" 1
132 1 18 TYR QB 1 61 ILE MG 4.720 . 6.350 3.498 2.521 4.182 . 0 0 "[ . 1 ]" 1
133 1 51 PHE QE 1 61 ILE MD 4.550 . 6.360 3.479 2.477 4.662 . 0 0 "[ . 1 ]" 1
134 1 61 ILE HA 1 61 ILE QG 3.380 . 4.450 2.982 2.505 3.420 . 0 0 "[ . 1 ]" 1
135 1 61 ILE MD 1 61 ILE MG 3.680 . 5.050 1.828 1.437 2.150 0.363 11 0 "[ . 1 ]" 1
136 1 21 ILE MD 1 62 MET QB 4.230 . 4.650 2.748 1.852 3.357 . 0 0 "[ . 1 ]" 1
137 1 62 MET HA 1 62 MET QG 3.210 . 4.240 2.259 1.953 2.527 . 0 0 "[ . 1 ]" 1
138 1 20 ILE HA 1 63 ILE HB 2.720 . 3.400 2.488 1.882 3.246 . 0 0 "[ . 1 ]" 1
139 1 20 ILE MD 1 63 ILE MD 5.400 . 7.200 3.897 3.129 4.551 . 0 0 "[ . 1 ]" 1
140 1 20 ILE QG 1 63 ILE MD 4.610 . 6.210 2.829 2.113 4.320 . 0 0 "[ . 1 ]" 1
141 1 20 ILE HA 1 63 ILE MG 4.320 . 5.620 3.769 3.216 4.193 . 0 0 "[ . 1 ]" 1
142 1 36 PHE QD 1 63 ILE MD 5.070 . 7.010 3.800 2.924 5.237 . 0 0 "[ . 1 ]" 1
143 1 36 PHE QD 1 63 ILE MG 4.990 . 6.910 4.304 3.717 4.918 . 0 0 "[ . 1 ]" 1
144 1 36 PHE QE 1 63 ILE MG 4.110 . 5.810 2.659 1.817 3.218 . 0 0 "[ . 1 ]" 1
145 1 36 PHE HZ 1 63 ILE MG 4.030 . 5.260 2.542 2.085 2.972 . 0 0 "[ . 1 ]" 1
146 1 61 ILE MG 1 63 ILE MD 4.570 . 6.160 3.569 2.112 4.115 . 0 0 "[ . 1 ]" 1
147 1 63 ILE HA 1 63 ILE MD 3.700 . 4.850 3.465 2.849 3.885 . 0 0 "[ . 1 ]" 1
148 1 63 ILE HB 1 63 ILE MD 3.420 . 4.500 2.131 2.007 2.421 . 0 0 "[ . 1 ]" 1
149 1 63 ILE MG 1 64 ASN HA 3.370 . 4.440 3.161 2.842 3.539 . 0 0 "[ . 1 ]" 1
150 1 67 ARG QB 1 67 ARG QD 3.220 . 4.470 2.155 1.912 2.705 . 0 0 "[ . 1 ]" 1
151 1 67 ARG HA 1 67 ARG QG 3.420 . 3.800 2.738 1.961 3.322 . 0 0 "[ . 1 ]" 1
152 1 69 GLU HA 1 69 GLU QG 3.420 . 4.500 2.462 1.977 3.385 . 0 0 "[ . 1 ]" 1
153 1 70 HIS QB 1 70 HIS HD2 3.400 . 4.480 2.776 2.684 3.261 . 0 0 "[ . 1 ]" 1
154 1 74 TYR HA 1 74 TYR QD 3.550 . 4.890 2.879 1.871 3.681 . 0 0 "[ . 1 ]" 1
155 1 79 LYS HA 1 79 LYS QG 2.700 . 3.600 2.651 2.086 3.291 . 0 0 "[ . 1 ]" 1
156 1 76 PHE HA 1 82 LEU QD 4.490 . 6.060 4.055 2.757 4.483 . 0 0 "[ . 1 ]" 1
157 1 82 LEU HA 1 82 LEU QD 3.110 . 4.340 2.657 1.837 3.030 . 0 0 "[ . 1 ]" 1
158 1 82 LEU HA 1 82 LEU HG 2.960 . 3.700 2.645 1.952 3.634 . 0 0 "[ . 1 ]" 1
159 1 80 ASP HA 1 83 LEU QD 4.390 . 5.940 2.721 1.865 3.931 . 0 0 "[ . 1 ]" 1
160 1 87 PHE HA 1 87 PHE QD 3.490 . 4.810 2.430 2.035 2.912 . 0 0 "[ . 1 ]" 1
161 1 10 LYS HA 1 89 PRO QG 2.860 . 3.800 3.002 1.991 3.410 . 0 0 "[ . 1 ]" 1
162 1 11 TRP HD1 1 89 PRO HA 3.130 . 3.910 3.259 2.052 3.970 0.060 10 0 "[ . 1 ]" 1
163 1 87 PHE QD 1 93 VAL QG 5.320 . 6.900 3.075 2.154 3.774 . 0 0 "[ . 1 ]" 1
164 1 87 PHE QE 1 93 VAL QG 4.520 . 6.550 3.569 2.759 4.075 . 0 0 "[ . 1 ]" 1
165 1 93 VAL HA 1 93 VAL HB 2.400 . 3.000 2.830 2.322 3.031 0.031 4 0 "[ . 1 ]" 1
166 1 11 TRP HD1 1 95 GLY QA 2.830 . 3.760 3.347 3.210 3.466 . 0 0 "[ . 1 ]" 1
167 1 61 ILE HA 1 95 GLY QA 3.330 . 4.390 2.691 1.843 3.500 . 0 0 "[ . 1 ]" 1
168 1 86 ALA HA 1 97 SER HA 2.400 . 3.000 2.110 1.830 2.643 . 0 0 "[ . 1 ]" 1
169 1 86 ALA MB 1 97 SER HA 3.690 . 4.840 3.048 2.272 3.774 . 0 0 "[ . 1 ]" 1
170 1 70 HIS HD2 1 98 HIS QB 3.470 . 4.560 3.876 3.470 4.185 . 0 0 "[ . 1 ]" 1
171 1 98 HIS HA 1 98 HIS HD2 2.910 . 3.640 2.917 2.242 3.390 . 0 0 "[ . 1 ]" 1
172 1 98 HIS QB 1 98 HIS HD2 3.330 . 4.390 3.033 2.824 3.318 . 0 0 "[ . 1 ]" 1
173 1 63 ILE MG 1 99 PHE QD 5.060 . 7.000 2.977 2.325 3.832 . 0 0 "[ . 1 ]" 1
174 1 63 ILE MG 1 99 PHE QE 3.700 . 5.300 2.484 1.892 3.557 . 0 0 "[ . 1 ]" 1
175 1 65 PHE HA 1 99 PHE QB 3.310 . 4.360 2.907 2.303 3.595 . 0 0 "[ . 1 ]" 1
176 1 84 ALA HA 1 99 PHE HA 2.960 . 3.700 2.358 1.967 2.869 . 0 0 "[ . 1 ]" 1
177 1 84 ALA MB 1 99 PHE HA 3.630 . 4.760 2.174 1.806 2.680 . 0 0 "[ . 1 ]" 1
178 1 84 ALA MB 1 99 PHE QD 4.700 . 6.550 2.356 1.781 2.817 0.019 11 0 "[ . 1 ]" 1
179 1 84 ALA MB 1 99 PHE QE 4.880 . 6.770 3.040 2.027 3.350 . 0 0 "[ . 1 ]" 1
180 1 97 SER QB 1 99 PHE QE 3.760 . 5.240 2.820 2.010 4.145 . 0 0 "[ . 1 ]" 1
181 1 83 LEU QD 1 103 GLU QG 4.900 . 6.800 2.906 2.001 3.738 . 0 0 "[ . 1 ]" 1
182 1 26 ASP QB 1 104 LEU QD 4.790 . 6.660 2.808 1.851 4.353 . 0 0 "[ . 1 ]" 1
183 1 104 LEU HA 1 104 LEU QD 3.000 . 4.200 2.207 1.788 3.287 0.012 3 0 "[ . 1 ]" 1
184 1 104 LEU HA 1 104 LEU HG 2.570 . 3.210 2.822 2.100 3.460 0.250 3 0 "[ . 1 ]" 1
185 1 24 THR MG 1 105 TRP QB 3.690 . 5.050 3.294 2.839 3.565 . 0 0 "[ . 1 ]" 1
186 1 27 LEU QD 1 106 THR HA 4.240 . 4.610 2.050 1.716 3.463 0.084 4 0 "[ . 1 ]" 1
187 1 27 LEU QD 1 106 THR HB 4.760 . 6.400 3.212 1.949 4.056 . 0 0 "[ . 1 ]" 1
188 1 105 TRP HA 1 106 THR MG 3.250 . 4.290 3.270 2.878 3.764 . 0 0 "[ . 1 ]" 1
189 1 106 THR HA 1 106 THR HB 2.400 . 3.000 2.383 2.266 2.517 . 0 0 "[ . 1 ]" 1
190 1 106 THR HA 1 106 THR MG 2.700 . 3.600 2.596 2.012 3.138 . 0 0 "[ . 1 ]" 1
191 1 31 THR MG 1 107 ASN HA 3.460 . 4.550 3.688 1.790 3.988 0.010 6 0 "[ . 1 ]" 1
192 1 31 THR MG 1 107 ASN QB 3.310 . 4.590 1.981 1.653 3.245 0.147 11 0 "[ . 1 ]" 1
193 1 106 THR HB 1 108 THR MG 2.980 . 3.950 3.024 2.452 3.518 . 0 0 "[ . 1 ]" 1
194 1 108 THR HA 1 108 THR HB 2.400 . 3.000 2.400 2.271 2.602 . 0 0 "[ . 1 ]" 1
195 1 108 THR HA 1 108 THR MG 2.700 . 3.600 2.908 1.965 3.174 . 0 0 "[ . 1 ]" 1
196 1 106 THR HB 1 110 ALA MB 4.110 . 5.360 3.558 2.332 4.840 . 0 0 "[ . 1 ]" 1
197 1 106 THR MG 1 110 ALA MB 3.000 . 4.200 2.234 1.868 2.908 . 0 0 "[ . 1 ]" 1
198 1 27 LEU QD 1 114 LEU QD 4.960 . 7.100 2.370 1.828 2.947 . 0 0 "[ . 1 ]" 1
199 1 32 VAL HA 1 114 LEU QD 3.610 . 4.960 3.301 1.859 3.823 . 0 0 "[ . 1 ]" 1
200 1 32 VAL QG 1 114 LEU QD 5.160 . 7.350 2.283 1.617 2.672 0.183 8 0 "[ . 1 ]" 1
201 1 35 ALA MB 1 114 LEU QD 4.490 . 6.290 2.426 1.886 2.845 . 0 0 "[ . 1 ]" 1
202 1 35 ALA MB 1 114 LEU HG 3.200 . 4.220 3.123 2.789 3.546 . 0 0 "[ . 1 ]" 1
203 1 36 PHE QE 1 114 LEU QD 5.400 . 6.790 2.530 1.808 3.449 . 0 0 "[ . 1 ]" 1
204 1 36 PHE HZ 1 114 LEU QD 3.930 . 5.360 2.904 2.429 3.313 . 0 0 "[ . 1 ]" 1
205 1 99 PHE QD 1 114 LEU QD 4.630 . 6.690 3.431 2.570 4.140 . 0 0 "[ . 1 ]" 1
206 1 113 SER HA 1 114 LEU QD 4.770 . 6.410 4.673 4.528 4.908 . 0 0 "[ . 1 ]" 1
207 1 114 LEU HA 1 114 LEU QD 3.500 . 4.830 1.814 1.728 2.182 0.072 1 0 "[ . 1 ]" 1
208 1 114 LEU HA 1 114 LEU HG 3.060 . 3.830 3.298 2.391 3.593 . 0 0 "[ . 1 ]" 1
209 1 35 ALA MB 1 115 PHE HA 3.440 . 4.520 2.521 1.982 3.265 . 0 0 "[ . 1 ]" 1
210 1 35 ALA MB 1 115 PHE QB 4.390 . 5.940 2.690 2.103 3.202 . 0 0 "[ . 1 ]" 1
211 1 35 ALA HA 1 115 PHE QD 3.760 . 5.150 4.062 3.238 4.907 . 0 0 "[ . 1 ]" 1
212 1 35 ALA MB 1 115 PHE QD 4.810 . 6.690 4.061 3.817 4.711 . 0 0 "[ . 1 ]" 1
213 1 38 ARG QB 1 115 PHE QD 4.050 . 5.740 3.099 2.005 4.108 . 0 0 "[ . 1 ]" 1
214 1 39 ALA MB 1 115 PHE HA 4.090 . 5.340 3.312 2.833 3.630 . 0 0 "[ . 1 ]" 1
215 1 39 ALA HA 1 115 PHE QD 3.420 . 4.730 2.996 2.445 3.288 . 0 0 "[ . 1 ]" 1
216 1 39 ALA MB 1 115 PHE QD 4.510 . 6.310 2.595 2.224 2.993 . 0 0 "[ . 1 ]" 1
217 1 39 ALA HA 1 115 PHE QE 3.510 . 4.840 2.206 1.836 2.780 . 0 0 "[ . 1 ]" 1
218 1 42 VAL HB 1 115 PHE QD 3.670 . 5.040 4.326 3.826 5.108 0.068 2 0 "[ . 1 ]" 1
219 1 42 VAL QG 1 115 PHE QD 4.930 . 7.060 3.628 3.100 4.111 . 0 0 "[ . 1 ]" 1
220 1 42 VAL QG 1 115 PHE QE 5.130 . 7.310 2.110 1.719 2.717 0.081 6 0 "[ . 1 ]" 1
221 1 115 PHE HA 1 115 PHE QD 3.000 . 4.200 2.562 1.960 3.249 . 0 0 "[ . 1 ]" 1
222 1 115 PHE QD 1 116 LEU QD 4.950 . 7.090 3.440 1.899 4.470 . 0 0 "[ . 1 ]" 1
223 1 115 PHE QE 1 116 LEU QD 4.490 . 6.510 3.410 2.190 4.242 . 0 0 "[ . 1 ]" 1
224 1 116 LEU HA 1 116 LEU QD 3.290 . 4.560 1.785 1.657 2.018 0.143 10 0 "[ . 1 ]" 1
225 1 116 LEU HA 1 116 LEU HG 3.160 . 3.950 3.310 2.398 3.583 . 0 0 "[ . 1 ]" 1
226 1 83 LEU QD 1 117 VAL QG 5.730 . 8.060 3.287 2.554 3.901 . 0 0 "[ . 1 ]" 1
227 1 84 ALA MB 1 117 VAL QG 4.430 . 6.210 3.730 3.536 3.892 . 0 0 "[ . 1 ]" 1
228 1 99 PHE QD 1 117 VAL QG 4.980 . 7.120 3.320 2.886 4.031 . 0 0 "[ . 1 ]" 1
229 1 99 PHE QE 1 117 VAL QG 4.390 . 6.390 2.847 1.975 3.886 . 0 0 "[ . 1 ]" 1
230 1 36 PHE QD 1 118 ALA MB 4.210 . 5.940 3.263 2.304 3.939 . 0 0 "[ . 1 ]" 1
231 1 36 PHE QE 1 118 ALA MB 4.030 . 5.710 2.756 1.827 3.652 . 0 0 "[ . 1 ]" 1
232 1 36 PHE HZ 1 118 ALA MB 3.790 . 4.960 3.841 3.439 4.046 . 0 0 "[ . 1 ]" 1
233 1 39 ALA MB 1 118 ALA MB 4.360 . 5.900 2.872 2.572 3.231 . 0 0 "[ . 1 ]" 1
234 1 99 PHE QE 1 118 ALA HA 3.080 . 4.300 2.821 2.143 3.698 . 0 0 "[ . 1 ]" 1
235 1 39 ALA MB 1 119 ALA HA 3.210 . 4.240 3.207 3.028 3.331 . 0 0 "[ . 1 ]" 1
236 1 39 ALA HA 1 119 ALA MB 3.930 . 5.140 4.014 3.849 4.148 . 0 0 "[ . 1 ]" 1
237 1 39 ALA MB 1 119 ALA MB 4.500 . 6.070 3.446 3.176 3.829 . 0 0 "[ . 1 ]" 1
238 1 43 TRP HE1 1 119 ALA HA 2.760 . 3.450 3.098 2.466 3.466 0.016 5 0 "[ . 1 ]" 1
239 1 115 PHE QD 1 119 ALA MB 4.650 . 6.490 3.554 2.551 4.409 . 0 0 "[ . 1 ]" 1
240 1 116 LEU HA 1 119 ALA MB 4.450 . 5.790 2.598 2.066 2.881 . 0 0 "[ . 1 ]" 1
241 1 117 VAL HA 1 120 HIS QB 3.500 . 4.600 3.086 2.623 3.503 . 0 0 "[ . 1 ]" 1
242 1 84 ALA MB 1 121 GLU QG 4.440 . 6.000 2.073 1.821 2.394 . 0 0 "[ . 1 ]" 1
243 1 117 VAL QG 1 121 GLU QG 4.830 . 6.710 4.271 3.872 4.518 . 0 0 "[ . 1 ]" 1
244 1 120 HIS HD2 1 121 GLU HA 2.920 . 3.650 3.360 2.921 3.691 0.041 8 0 "[ . 1 ]" 1
245 1 36 PHE HA 1 122 PHE QE 3.440 . 4.750 3.612 2.778 4.271 . 0 0 "[ . 1 ]" 1
246 1 39 ALA MB 1 122 PHE QD 4.580 . 6.400 3.094 2.455 3.851 . 0 0 "[ . 1 ]" 1
247 1 39 ALA MB 1 122 PHE QE 4.280 . 6.020 3.160 2.002 4.246 . 0 0 "[ . 1 ]" 1
248 1 122 PHE HA 1 122 PHE QD 3.190 . 4.440 2.509 1.874 2.912 . 0 0 "[ . 1 ]" 1
249 1 86 ALA MB 1 124 HIS QB 4.560 . 5.550 2.656 2.054 3.499 . 0 0 "[ . 1 ]" 1
250 1 61 ILE MD 1 125 ALA MB 4.700 . 6.320 3.659 2.896 4.184 . 0 0 "[ . 1 ]" 1
251 1 86 ALA MB 1 125 ALA MB 4.350 . 5.890 2.984 2.075 3.601 . 0 0 "[ . 1 ]" 1
252 1 95 GLY QA 1 125 ALA HA 3.320 . 4.380 3.444 3.073 3.583 . 0 0 "[ . 1 ]" 1
253 1 95 GLY QA 1 125 ALA MB 4.580 . 5.760 2.843 2.097 3.431 . 0 0 "[ . 1 ]" 1
254 1 122 PHE HA 1 125 ALA MB 3.440 . 4.530 2.839 2.204 3.331 . 0 0 "[ . 1 ]" 1
255 1 122 PHE QD 1 125 ALA MB 4.720 . 6.570 4.088 3.445 4.810 . 0 0 "[ . 1 ]" 1
256 1 49 LEU QD 1 126 MET QG 4.930 . 6.840 4.150 3.686 4.357 . 0 0 "[ . 1 ]" 1
257 1 126 MET HA 1 126 MET QG 3.400 . 4.470 2.308 2.061 2.582 . 0 0 "[ . 1 ]" 1
258 1 128 LEU HA 1 128 LEU QD 4.030 . 5.490 2.213 1.801 2.577 . 0 0 "[ . 1 ]" 1
259 1 130 HIS HA 1 130 HIS HD2 2.770 . 3.460 2.687 2.006 3.511 0.051 4 0 "[ . 1 ]" 1
260 1 132 GLN HA 1 132 GLN QG 2.700 . 3.600 2.334 1.941 3.211 . 0 0 "[ . 1 ]" 1
261 1 133 ASP HA 1 134 PRO QD 2.700 . 3.600 1.879 1.803 1.977 . 0 0 "[ . 1 ]" 1
262 1 133 ASP HA 1 134 PRO QG 3.330 . 4.390 3.841 3.785 3.944 . 0 0 "[ . 1 ]" 1
263 1 131 SER QB 1 136 ALA MB 4.010 . 5.160 3.012 2.067 3.676 . 0 0 "[ . 1 ]" 1
264 1 133 ASP HA 1 136 ALA MB 4.410 . 5.740 4.265 3.903 4.684 . 0 0 "[ . 1 ]" 1
265 1 133 ASP QB 1 136 ALA MB 3.280 . 4.550 2.216 1.777 2.885 0.023 1 0 "[ . 1 ]" 1
266 1 43 TRP HE1 1 137 LEU QD 4.630 . 6.240 2.640 1.728 4.499 0.072 5 0 "[ . 1 ]" 1
267 1 119 ALA MB 1 137 LEU QD 4.390 . 6.160 2.250 1.875 2.690 . 0 0 "[ . 1 ]" 1
268 1 120 HIS HA 1 137 LEU QD 4.390 . 5.450 2.801 1.854 3.490 . 0 0 "[ . 1 ]" 1
269 1 120 HIS QB 1 137 LEU QD 4.760 . 6.630 3.280 2.578 3.780 . 0 0 "[ . 1 ]" 1
270 1 120 HIS HA 1 137 LEU HG 2.760 . 3.450 3.317 2.814 3.556 0.106 8 0 "[ . 1 ]" 1
271 1 137 LEU HA 1 137 LEU QD 3.550 . 4.890 1.813 1.759 1.875 0.041 10 0 "[ . 1 ]" 1
272 1 130 HIS HA 1 138 MET QB 3.400 . 4.470 2.247 1.759 3.014 0.041 9 0 "[ . 1 ]" 1
273 1 130 HIS QB 1 140 PRO QD 3.760 . 5.150 3.202 2.891 3.513 . 0 0 "[ . 1 ]" 1
274 1 140 PRO HA 1 140 PRO QG 3.190 . 4.210 3.559 3.553 3.565 . 0 0 "[ . 1 ]" 1
275 1 141 ILE HA 1 141 ILE HB 2.610 . 3.260 2.898 2.669 3.036 . 0 0 "[ . 1 ]" 1
276 1 141 ILE HA 1 141 ILE QG 3.200 . 3.910 2.952 2.416 3.275 . 0 0 "[ . 1 ]" 1
277 1 141 ILE HA 1 141 ILE MG 3.170 . 4.190 2.089 1.916 2.307 . 0 0 "[ . 1 ]" 1
278 1 143 THR HA 1 143 THR HB 2.400 . 3.000 3.004 2.868 3.035 0.035 3 0 "[ . 1 ]" 1
279 1 143 THR HA 1 143 THR MG 2.700 . 3.600 2.249 2.034 2.427 . 0 0 "[ . 1 ]" 1
280 1 116 LEU HG 1 144 TYR HA 2.400 . 3.000 2.758 2.238 3.123 0.123 5 0 "[ . 1 ]" 1
281 1 116 LEU HG 1 144 TYR QD 3.350 . 4.640 2.726 1.898 4.011 . 0 0 "[ . 1 ]" 1
282 1 116 LEU HG 1 144 TYR QE 3.640 . 5.000 3.683 3.088 4.268 . 0 0 "[ . 1 ]" 1
283 1 144 TYR HA 1 144 TYR QD 3.520 . 4.850 2.520 1.827 2.940 . 0 0 "[ . 1 ]" 1
284 1 116 LEU QD 1 145 THR MG 4.060 . 5.750 2.413 1.756 3.325 0.044 9 0 "[ . 1 ]" 1
285 1 145 THR HA 1 145 THR HB 2.400 . 3.000 2.395 2.290 2.603 . 0 0 "[ . 1 ]" 1
286 1 145 THR HA 1 145 THR MG 2.700 . 3.600 3.012 2.196 3.164 . 0 0 "[ . 1 ]" 1
287 1 42 VAL QG 1 148 PHE QD 4.340 . 6.320 3.014 2.417 3.589 . 0 0 "[ . 1 ]" 1
288 1 42 VAL QG 1 148 PHE QE 4.480 . 6.500 2.301 1.695 3.065 0.105 4 0 "[ . 1 ]" 1
289 1 145 THR MG 1 148 PHE HA 2.700 . 3.600 2.427 1.877 3.122 . 0 0 "[ . 1 ]" 1
290 1 145 THR MG 1 148 PHE QB 3.630 . 4.950 3.063 1.824 3.419 . 0 0 "[ . 1 ]" 1
291 1 148 PHE HA 1 148 PHE QD 3.460 . 4.770 2.706 1.961 3.553 . 0 0 "[ . 1 ]" 1
292 1 148 PHE QD 1 149 ARG HA 3.450 . 4.760 3.883 3.019 4.416 . 0 0 "[ . 1 ]" 1
293 1 149 ARG HA 1 149 ARG QG 3.260 . 4.190 2.378 1.970 3.262 . 0 0 "[ . 1 ]" 1
294 1 42 VAL HA 1 150 LEU QD 3.770 . 5.160 3.527 3.004 3.916 . 0 0 "[ . 1 ]" 1
295 1 43 TRP HA 1 150 LEU QD 4.700 . 6.320 3.433 2.543 4.004 . 0 0 "[ . 1 ]" 1
296 1 46 VAL QG 1 150 LEU QD 5.990 . 7.410 2.370 1.695 3.362 0.105 3 0 "[ . 1 ]" 1
297 1 148 PHE QE 1 150 LEU HA 3.740 . 5.130 3.466 2.280 4.380 . 0 0 "[ . 1 ]" 1
298 1 148 PHE QD 1 150 LEU QD 4.980 . 7.120 3.692 3.081 4.519 . 0 0 "[ . 1 ]" 1
299 1 148 PHE QE 1 150 LEU QD 4.510 . 6.540 2.095 1.709 3.110 0.091 4 0 "[ . 1 ]" 1
300 1 150 LEU HA 1 150 LEU QD 3.320 . 4.600 2.071 1.813 2.646 . 0 0 "[ . 1 ]" 1
301 1 136 ALA HA 1 151 SER QB 2.880 . 3.600 3.188 2.793 3.405 . 0 0 "[ . 1 ]" 1
302 1 136 ALA MB 1 153 ASP QB 4.180 . 5.670 3.164 2.793 3.849 . 0 0 "[ . 1 ]" 1
303 1 150 LEU QD 1 154 ASP QB 4.810 . 6.690 3.161 2.261 4.176 . 0 0 "[ . 1 ]" 1
304 1 46 VAL QG 1 155 ILE HA 4.430 . 5.990 2.509 1.856 3.322 . 0 0 "[ . 1 ]" 1
305 1 46 VAL QG 1 155 ILE MD 5.490 . 7.540 3.482 2.737 4.223 . 0 0 "[ . 1 ]" 1
306 1 150 LEU QB 1 155 ILE MG 3.720 . 5.100 3.213 2.553 3.524 . 0 0 "[ . 1 ]" 1
307 1 150 LEU QD 1 155 ILE MG 5.700 . 7.220 2.401 1.805 3.591 . 0 0 "[ . 1 ]" 1
308 1 152 GLN HA 1 155 ILE HB 2.500 . 3.200 3.604 3.564 3.652 0.452 8 0 "[ . 1 ]" 1
309 1 152 GLN HA 1 155 ILE MD 3.830 . 5.010 3.483 3.434 3.518 . 0 0 "[ . 1 ]" 1
310 1 152 GLN HA 1 155 ILE MG 3.080 . 4.070 1.714 1.664 1.762 0.136 5 0 "[ . 1 ]" 1
311 1 155 ILE HA 1 155 ILE MD 3.160 . 4.180 3.246 3.097 3.458 . 0 0 "[ . 1 ]" 1
312 1 155 ILE HB 1 155 ILE MD 2.780 . 3.700 2.089 2.008 2.207 . 0 0 "[ . 1 ]" 1
313 1 155 ILE HA 1 155 ILE QG 3.480 . 4.580 3.440 3.420 3.454 . 0 0 "[ . 1 ]" 1
314 1 153 ASP HA 1 156 LYS QB 2.700 . 3.600 3.059 2.823 3.282 . 0 0 "[ . 1 ]" 1
315 1 156 LYS HA 1 156 LYS QG 2.900 . 3.850 2.327 2.142 2.559 . 0 0 "[ . 1 ]" 1
316 1 46 VAL QG 1 158 ILE MG 4.250 . 5.990 2.018 1.638 2.566 0.162 9 0 "[ . 1 ]" 1
317 1 47 THR MG 1 158 ILE MD 4.170 . 5.660 3.122 2.188 3.623 . 0 0 "[ . 1 ]" 1
318 1 49 LEU QD 1 158 ILE MD 5.700 . 7.800 3.208 2.411 3.876 . 0 0 "[ . 1 ]" 1
319 1 126 MET QB 1 158 ILE MD 3.580 . 4.930 3.387 2.899 3.763 . 0 0 "[ . 1 ]" 1
320 1 126 MET QG 1 158 ILE MD 4.470 . 6.040 3.394 2.566 4.348 . 0 0 "[ . 1 ]" 1
321 1 155 ILE HA 1 158 ILE MG 3.070 . 4.060 1.910 1.751 2.092 0.049 2 0 "[ . 1 ]" 1
322 1 155 ILE MD 1 158 ILE MG 5.400 . 7.200 3.605 3.234 3.877 . 0 0 "[ . 1 ]" 1
323 1 158 ILE HA 1 158 ILE HB 2.740 . 3.420 2.556 2.455 2.618 . 0 0 "[ . 1 ]" 1
324 1 158 ILE HA 1 158 ILE MD 2.980 . 3.950 2.425 1.835 3.201 . 0 0 "[ . 1 ]" 1
325 1 158 ILE HA 1 158 ILE QG 3.190 . 4.210 2.503 2.162 2.916 . 0 0 "[ . 1 ]" 1
326 1 155 ILE MD 1 159 GLN QG 4.660 . 5.450 2.721 2.196 3.656 . 0 0 "[ . 1 ]" 1
327 1 158 ILE MG 1 159 GLN QG 4.500 . 6.080 2.837 2.124 3.519 . 0 0 "[ . 1 ]" 1
328 1 159 GLN HA 1 159 GLN QG 3.050 . 3.840 2.329 1.947 3.316 . 0 0 "[ . 1 ]" 1
329 1 160 GLU HA 1 160 GLU QG 2.700 . 3.600 2.364 1.967 3.213 . 0 0 "[ . 1 ]" 1
330 1 10 LYS QB 1 161 LEU QD 4.940 . 6.560 3.276 2.270 4.169 . 0 0 "[ . 1 ]" 1
331 1 158 ILE HA 1 161 LEU QB 2.700 . 3.600 2.625 2.274 2.984 . 0 0 "[ . 1 ]" 1
332 1 161 LEU HA 1 161 LEU QD 3.830 . 5.240 2.033 1.712 2.882 0.088 6 0 "[ . 1 ]" 1
333 1 16 ILE MD 1 162 TYR QD 4.250 . 5.990 4.367 3.793 4.733 . 0 0 "[ . 1 ]" 1
334 1 16 ILE MD 1 162 TYR QE 4.520 . 6.330 3.062 2.168 4.206 . 0 0 "[ . 1 ]" 1
335 1 47 THR MG 1 162 TYR QD 3.830 . 5.460 3.251 2.188 4.070 . 0 0 "[ . 1 ]" 1
336 1 49 LEU QD 1 162 TYR QD 4.300 . 6.270 2.304 1.922 2.625 . 0 0 "[ . 1 ]" 1
337 1 49 LEU QD 1 162 TYR QE 4.470 . 6.490 2.418 2.036 2.837 . 0 0 "[ . 1 ]" 1
338 1 158 ILE MD 1 162 TYR QD 3.560 . 5.120 2.413 1.818 3.941 . 0 0 "[ . 1 ]" 1
339 1 158 ILE QG 1 162 TYR QD 3.790 . 5.090 2.348 1.793 3.400 0.007 6 0 "[ . 1 ]" 1
340 1 158 ILE MD 1 162 TYR QE 3.810 . 5.440 2.534 1.889 3.348 . 0 0 "[ . 1 ]" 1
341 1 161 LEU QD 1 162 TYR QD 4.610 . 6.660 3.685 2.647 4.367 . 0 0 "[ . 1 ]" 1
342 1 162 TYR HA 1 162 TYR QD 3.390 . 4.690 2.363 1.774 3.658 0.026 10 0 "[ . 1 ]" 1
343 1 17 THR HA 1 52 SER H 3.400 . 5.000 2.736 2.448 2.917 . 0 0 "[ . 1 ]" 1
344 1 117 VAL HA 1 120 HIS H 3.400 . 5.000 3.705 3.327 4.087 . 0 0 "[ . 1 ]" 1
345 1 152 GLN HA 1 155 ILE H 3.400 . 5.000 2.758 2.602 3.046 . 0 0 "[ . 1 ]" 1
346 1 154 ASP HA 1 157 GLY H 3.400 . 5.000 3.369 2.907 3.670 . 0 0 "[ . 1 ]" 1
347 1 128 LEU MD1 1 157 GLY H 3.400 . 5.000 3.813 3.135 4.222 . 0 0 "[ . 1 ]" 1
348 1 21 ILE H 1 63 ILE H 3.400 . 5.000 3.497 2.712 4.308 . 0 0 "[ . 1 ]" 1
349 1 126 MET H 1 128 LEU H 3.400 . 5.000 4.298 3.321 5.002 0.002 1 0 "[ . 1 ]" 1
350 1 15 GLN H 1 16 ILE H 3.400 . 5.000 4.198 3.375 4.448 . 0 0 "[ . 1 ]" 1
351 1 24 THR HA 1 26 ASP H 3.400 . 5.000 4.039 3.749 4.626 . 0 0 "[ . 1 ]" 1
352 1 36 PHE HA 1 39 ALA H 3.400 . 5.000 3.371 2.976 3.614 . 0 0 "[ . 1 ]" 1
353 1 86 ALA MB 1 125 ALA H 3.400 . 5.000 3.446 2.824 4.160 . 0 0 "[ . 1 ]" 1
354 1 31 THR MG 1 34 ASP H 3.400 . 5.000 4.071 3.938 4.221 . 0 0 "[ . 1 ]" 1
355 1 40 PHE HA 1 43 TRP H 3.400 . 5.000 3.787 3.547 4.050 . 0 0 "[ . 1 ]" 1
356 1 120 HIS HA 1 123 GLY H 3.400 . 5.000 3.653 3.358 3.890 . 0 0 "[ . 1 ]" 1
357 1 23 TYR QD 1 32 VAL H 3.900 . 6.000 5.397 4.356 5.715 . 0 0 "[ . 1 ]" 1
358 1 144 TYR QD 1 145 THR H 3.900 . 6.000 2.560 1.837 2.937 . 0 0 "[ . 1 ]" 1
359 1 128 LEU QD 1 157 GLY QA 3.400 . 5.000 1.974 1.702 2.578 0.098 1 0 "[ . 1 ]" 1
360 1 68 TRP HA 1 76 PHE HA 3.400 . 5.000 3.929 2.258 4.987 . 0 0 "[ . 1 ]" 1
361 1 128 LEU HA 1 129 GLU H . . 2.500 2.298 2.204 2.535 0.035 3 0 "[ . 1 ]" 1
362 1 87 PHE H 1 87 PHE QD 2.900 . 4.000 3.514 3.076 3.868 . 0 0 "[ . 1 ]" 1
363 1 122 PHE H 1 123 GLY H 2.650 . 3.500 2.394 2.196 2.739 . 0 0 "[ . 1 ]" 1
364 1 121 GLU HA 1 125 ALA H 2.650 . 3.500 3.582 3.526 3.635 0.135 3 0 "[ . 1 ]" 1
365 1 23 TYR H 1 23 TYR QD 2.900 . 4.000 2.771 2.093 3.339 . 0 0 "[ . 1 ]" 1
366 1 48 PRO HA 1 49 LEU H 2.650 . 3.500 2.819 2.646 3.230 . 0 0 "[ . 1 ]" 1
367 1 134 PRO QD 1 135 GLY H 3.400 . 5.000 3.437 2.219 4.707 . 0 0 "[ . 1 ]" 1
368 1 33 ASP HA 1 36 PHE QB 3.900 . 6.000 3.269 2.927 3.766 . 0 0 "[ . 1 ]" 1
369 1 37 ALA HA 1 40 PHE QB 3.900 . 6.000 2.712 2.149 3.312 . 0 0 "[ . 1 ]" 1
370 1 44 SER QB 1 51 PHE QD 3.900 . 6.000 3.734 2.497 4.851 . 0 0 "[ . 1 ]" 1
371 1 44 SER QB 1 51 PHE QE 3.900 . 6.000 3.626 2.770 4.786 . 0 0 "[ . 1 ]" 1
372 1 88 ALA HA 1 89 PRO QD 3.900 . 6.000 1.992 1.835 2.166 . 0 0 "[ . 1 ]" 1
373 1 10 LYS HA 1 89 PRO QB 3.900 . 6.000 2.711 1.946 4.052 . 0 0 "[ . 1 ]" 1
374 1 87 PHE QB 1 94 GLY QA 3.900 . 6.000 2.527 1.935 3.340 . 0 0 "[ . 1 ]" 1
375 1 98 HIS HA 1 99 PHE QD 3.900 . 6.000 3.451 2.792 4.251 . 0 0 "[ . 1 ]" 1
376 1 158 ILE HA 1 162 TYR QD 3.900 . 6.000 3.652 2.738 4.585 . 0 0 "[ . 1 ]" 1
377 1 119 ALA HA 1 122 PHE QB 3.900 . 6.000 1.963 1.741 2.546 0.059 3 0 "[ . 1 ]" 1
378 1 115 PHE HA 1 118 ALA MB 3.900 . 6.000 2.669 2.348 3.049 . 0 0 "[ . 1 ]" 1
379 1 118 ALA HA 1 121 GLU QB 3.900 . 6.000 2.942 2.359 3.317 . 0 0 "[ . 1 ]" 1
380 1 43 TRP HE1 1 122 PHE HB3 3.900 . 6.000 3.676 2.877 4.616 . 0 0 "[ . 1 ]" 1
381 1 84 ALA HA 1 99 PHE QD 3.900 . 6.000 4.014 2.771 4.717 . 0 0 "[ . 1 ]" 1
382 1 116 LEU QD 1 142 TYR QD 3.900 . 6.000 3.393 2.825 3.785 . 0 0 "[ . 1 ]" 1
383 1 116 LEU HG 1 142 TYR QE 3.900 . 6.000 3.893 1.816 5.393 . 0 0 "[ . 1 ]" 1
384 1 116 LEU QD 1 142 TYR QE 3.900 . 6.000 2.222 1.811 3.015 . 0 0 "[ . 1 ]" 1
385 1 67 ARG HA 1 68 TRP H 2.650 . 3.500 2.939 2.415 3.548 0.048 11 0 "[ . 1 ]" 1
386 1 100 ASP HA 1 101 ASP H 2.650 . 3.500 2.288 2.169 2.476 . 0 0 "[ . 1 ]" 1
387 1 32 VAL HB 1 33 ASP H 2.650 . 3.500 3.514 3.306 3.596 0.096 3 0 "[ . 1 ]" 1
388 1 106 THR H 1 114 LEU H 2.650 . 3.500 2.744 1.909 3.782 0.282 6 0 "[ . 1 ]" 1
389 1 101 ASP H 1 102 ASP H 2.650 . 3.500 2.783 1.858 3.562 0.062 7 0 "[ . 1 ]" 1
390 1 32 VAL H 1 33 ASP H 2.650 . 3.500 2.746 2.556 2.895 . 0 0 "[ . 1 ]" 1
391 1 135 GLY H 1 136 ALA H 2.650 . 3.500 2.433 2.039 2.707 . 0 0 "[ . 1 ]" 1
392 1 33 ASP H 1 34 ASP H 2.650 . 3.500 2.501 2.379 2.704 . 0 0 "[ . 1 ]" 1
393 1 118 ALA H 1 119 ALA H 2.650 . 3.500 2.807 2.599 3.009 . 0 0 "[ . 1 ]" 1
394 1 44 SER H 1 45 ASP H 2.650 . 3.500 2.461 2.100 2.842 . 0 0 "[ . 1 ]" 1
395 1 10 LYS QB 1 11 TRP H 2.650 . 3.500 2.301 1.864 3.194 . 0 0 "[ . 1 ]" 1
396 1 18 TYR HA 1 19 ARG H 2.650 . 3.500 2.367 2.198 2.614 . 0 0 "[ . 1 ]" 1
397 1 128 LEU H 1 128 LEU HA 2.650 . 3.500 2.803 2.691 2.962 . 0 0 "[ . 1 ]" 1
398 1 18 TYR HA 1 61 ILE H 2.650 . 3.500 2.571 1.869 3.128 . 0 0 "[ . 1 ]" 1
399 1 10 LYS HA 1 11 TRP H 2.650 . 3.500 2.832 2.172 3.534 0.034 11 0 "[ . 1 ]" 1
400 1 104 LEU H 1 104 LEU HA 2.650 . 3.500 2.856 2.332 2.994 . 0 0 "[ . 1 ]" 1
401 1 79 LYS H 1 79 LYS QB 2.650 . 3.500 2.318 2.056 3.026 . 0 0 "[ . 1 ]" 1
402 1 77 ASP H 1 77 ASP HA 2.650 . 3.500 2.756 2.333 2.998 . 0 0 "[ . 1 ]" 1
403 1 50 ARG HA 1 51 PHE H . . 2.500 2.271 2.150 2.519 0.019 10 0 "[ . 1 ]" 1
404 1 149 ARG QB 1 150 LEU H 2.650 . 3.500 2.829 1.901 3.157 . 0 0 "[ . 1 ]" 1
405 1 117 VAL H 1 117 VAL HB 2.650 . 3.500 3.601 3.570 3.638 0.138 9 0 "[ . 1 ]" 1
406 1 156 LYS H 1 156 LYS QB . . 2.500 2.257 2.174 2.322 . 0 0 "[ . 1 ]" 1
407 1 156 LYS QB 1 157 GLY H 2.650 . 3.500 2.326 2.108 2.501 . 0 0 "[ . 1 ]" 1
408 1 129 GLU QB 1 130 HIS H 2.650 . 3.500 2.265 1.966 2.763 . 0 0 "[ . 1 ]" 1
409 1 17 THR HB 1 18 TYR H 2.650 . 3.500 3.337 3.048 3.565 0.065 7 0 "[ . 1 ]" 1
410 1 32 VAL H 1 32 VAL HB 2.650 . 3.500 2.400 2.093 3.503 0.003 10 0 "[ . 1 ]" 1
411 1 29 PRO QB 1 30 GLU H 2.650 . 3.500 3.122 2.908 3.194 . 0 0 "[ . 1 ]" 1
412 1 110 ALA HA 1 111 ASN H 2.650 . 3.500 3.136 2.176 3.550 0.050 3 0 "[ . 1 ]" 1
413 1 38 ARG H 1 38 ARG QB 2.650 . 3.500 2.289 2.072 2.724 . 0 0 "[ . 1 ]" 1
414 1 53 ARG H 1 53 ARG QB 2.650 . 3.500 2.634 2.297 3.073 . 0 0 "[ . 1 ]" 1
415 1 155 ILE H 1 155 ILE QG 2.650 . 3.500 2.741 2.589 2.944 . 0 0 "[ . 1 ]" 1
416 1 106 THR HB 1 107 ASN H 2.650 . 3.500 2.664 1.901 3.614 0.114 2 0 "[ . 1 ]" 1
417 1 98 HIS HA 1 99 PHE H 2.650 . 3.500 2.236 2.155 2.301 . 0 0 "[ . 1 ]" 1
418 1 130 HIS H 1 130 HIS QB 2.650 . 3.500 2.464 2.254 2.732 . 0 0 "[ . 1 ]" 1
419 1 160 GLU H 1 160 GLU QB 2.650 . 3.500 2.335 2.107 2.675 . 0 0 "[ . 1 ]" 1
420 1 137 LEU H 1 138 MET H 2.650 . 3.500 2.400 2.209 2.573 . 0 0 "[ . 1 ]" 1
421 1 86 ALA HA 1 87 PHE H 2.650 . 3.500 2.380 2.261 2.519 . 0 0 "[ . 1 ]" 1
422 1 59 ALA HA 1 60 ASP H 2.650 . 3.500 2.374 2.244 2.850 . 0 0 "[ . 1 ]" 1
423 1 66 GLY H 1 101 ASP H 3.400 . 3.500 3.225 2.428 3.494 . 0 0 "[ . 1 ]" 1
424 1 30 GLU H 1 30 GLU QB 2.650 . 3.500 2.451 2.168 2.828 . 0 0 "[ . 1 ]" 1
425 1 41 GLN H 1 41 GLN QB . . 2.500 2.214 2.040 2.314 . 0 0 "[ . 1 ]" 1
426 1 120 HIS H 1 120 HIS QB 2.650 . 3.500 2.267 2.220 2.305 . 0 0 "[ . 1 ]" 1
427 1 68 TRP QB 1 69 GLU H 2.650 . 3.500 2.298 1.821 3.121 . 0 0 "[ . 1 ]" 1
428 1 123 GLY H 1 123 GLY QA 2.650 . 3.500 2.317 2.280 2.358 . 0 0 "[ . 1 ]" 1
429 1 103 GLU QB 1 104 LEU H 2.650 . 3.500 2.673 1.770 3.258 0.030 7 0 "[ . 1 ]" 1
430 1 159 GLN H 1 159 GLN QB 2.650 . 3.500 2.269 2.099 2.717 . 0 0 "[ . 1 ]" 1
431 1 159 GLN H 1 160 GLU H 2.650 . 3.500 2.567 2.210 2.880 . 0 0 "[ . 1 ]" 1
432 1 60 ASP H 1 61 ILE H 2.650 . 3.500 2.773 2.226 3.041 . 0 0 "[ . 1 ]" 1
433 1 157 GLY H 1 157 GLY QA 2.650 . 3.500 2.245 2.234 2.262 . 0 0 "[ . 1 ]" 1
434 1 34 ASP H 1 35 ALA H 2.650 . 3.500 2.583 2.397 2.754 . 0 0 "[ . 1 ]" 1
435 1 157 GLY H 1 158 ILE H 2.650 . 3.500 2.710 2.473 2.858 . 0 0 "[ . 1 ]" 1
436 1 31 THR H 1 31 THR HB 2.650 . 3.500 2.368 2.281 2.470 . 0 0 "[ . 1 ]" 1
437 1 94 GLY H 1 94 GLY QA 2.650 . 3.500 2.331 2.239 2.497 . 0 0 "[ . 1 ]" 1
438 1 37 ALA H 1 38 ARG H 2.650 . 3.500 2.855 2.575 3.051 . 0 0 "[ . 1 ]" 1
439 1 124 HIS H 1 125 ALA H 2.650 . 3.500 2.655 2.515 2.795 . 0 0 "[ . 1 ]" 1
440 1 123 GLY H 1 124 HIS H 2.650 . 3.500 2.206 2.055 2.377 . 0 0 "[ . 1 ]" 1
441 1 97 SER H 1 97 SER QB 2.650 . 3.500 2.750 2.337 3.240 . 0 0 "[ . 1 ]" 1
442 1 81 GLY H 1 81 GLY QA 2.650 . 3.500 2.241 2.217 2.266 . 0 0 "[ . 1 ]" 1
443 1 83 LEU H 1 83 LEU HG 2.650 . 3.500 2.928 2.272 3.404 . 0 0 "[ . 1 ]" 1
444 1 95 GLY H 1 95 GLY QA 2.650 . 3.500 2.278 2.237 2.400 . 0 0 "[ . 1 ]" 1
445 1 95 GLY H 1 96 ASP H 2.650 . 3.500 2.720 2.044 3.252 . 0 0 "[ . 1 ]" 1
446 1 163 GLY H 1 163 GLY QA 2.650 . 3.500 2.354 2.244 2.487 . 0 0 "[ . 1 ]" 1
447 1 40 PHE H 1 41 GLN H 2.650 . 3.500 2.774 2.558 2.954 . 0 0 "[ . 1 ]" 1
448 1 156 LYS H 1 157 GLY H 2.650 . 3.500 2.625 2.335 2.762 . 0 0 "[ . 1 ]" 1
449 1 155 ILE H 1 156 LYS H 2.650 . 3.500 2.575 2.388 2.752 . 0 0 "[ . 1 ]" 1
450 1 153 ASP H 1 154 ASP H 2.650 . 3.500 2.840 2.735 2.998 . 0 0 "[ . 1 ]" 1
451 1 119 ALA H 1 120 HIS H 2.650 . 3.500 2.985 2.691 3.142 . 0 0 "[ . 1 ]" 1
452 1 154 ASP H 1 155 ILE H 2.650 . 3.500 2.413 2.224 2.570 . 0 0 "[ . 1 ]" 1
453 1 38 ARG H 1 39 ALA H 2.650 . 3.500 2.746 2.523 2.931 . 0 0 "[ . 1 ]" 1
454 1 120 HIS H 1 121 GLU H 2.650 . 3.500 3.036 2.757 3.224 . 0 0 "[ . 1 ]" 1
455 1 16 ILE H 1 52 SER H 2.650 . 3.500 3.528 3.407 3.603 0.103 4 0 "[ . 1 ]" 1
456 1 22 GLY QA 1 23 TYR H 2.650 . 3.500 2.218 2.141 2.330 . 0 0 "[ . 1 ]" 1
457 1 10 LYS H 1 10 LYS HA 2.650 . 3.500 2.679 2.330 2.856 . 0 0 "[ . 1 ]" 1
458 1 126 MET H 1 126 MET QG 2.650 . 3.500 2.758 2.171 3.116 . 0 0 "[ . 1 ]" 1
459 1 42 VAL H 1 42 VAL HB 2.650 . 3.500 2.360 2.157 3.557 0.057 2 0 "[ . 1 ]" 1
460 1 42 VAL HB 1 43 TRP H 2.650 . 3.500 3.601 3.569 3.644 0.144 7 0 "[ . 1 ]" 1
461 1 160 GLU QB 1 161 LEU H 2.650 . 3.500 2.881 2.517 3.188 . 0 0 "[ . 1 ]" 1
462 1 21 ILE H 1 22 GLY H 2.650 . 3.500 2.538 2.123 2.745 . 0 0 "[ . 1 ]" 1
463 1 15 GLN H 1 15 GLN QB 2.650 . 3.500 2.514 2.118 3.151 . 0 0 "[ . 1 ]" 1
464 1 125 ALA H 1 126 MET H 2.650 . 3.500 2.780 2.637 2.953 . 0 0 "[ . 1 ]" 1
465 1 64 ASN H 1 98 HIS HA 2.650 . 3.500 2.671 2.010 3.123 . 0 0 "[ . 1 ]" 1
466 1 26 ASP H 1 27 LEU H 2.650 . 3.500 2.985 2.835 3.374 . 0 0 "[ . 1 ]" 1
467 1 83 LEU H 1 84 ALA H 2.650 . 3.500 1.991 1.855 2.238 . 0 0 "[ . 1 ]" 1
468 1 41 GLN H 1 42 VAL H 2.650 . 3.500 2.490 2.322 2.778 . 0 0 "[ . 1 ]" 1
469 1 43 TRP H 1 44 SER H 2.650 . 3.500 2.187 2.060 2.394 . 0 0 "[ . 1 ]" 1
470 1 42 VAL H 1 42 VAL MG2 3.400 . 5.000 3.494 1.881 3.763 . 0 0 "[ . 1 ]" 1
471 1 45 ASP H 1 46 VAL H 2.650 . 3.500 2.686 2.525 2.802 . 0 0 "[ . 1 ]" 1
472 1 106 THR HA 1 114 LEU H 2.650 . 3.500 3.664 3.551 3.800 0.300 7 0 "[ . 1 ]" 1
473 1 114 LEU H 1 114 LEU HA 2.650 . 3.500 2.791 2.719 2.893 . 0 0 "[ . 1 ]" 1
474 1 136 ALA HA 1 137 LEU H 2.650 . 3.500 2.398 2.288 2.631 . 0 0 "[ . 1 ]" 1
475 1 137 LEU H 1 137 LEU HA 2.650 . 3.500 2.919 2.862 2.965 . 0 0 "[ . 1 ]" 1
476 1 104 LEU HA 1 105 TRP H . . 2.500 2.272 2.176 2.445 . 0 0 "[ . 1 ]" 1
477 1 141 ILE HA 1 142 TYR H 2.650 . 3.500 2.464 2.181 3.489 . 0 0 "[ . 1 ]" 1
478 1 101 ASP H 1 101 ASP HA 2.650 . 3.500 2.916 2.776 2.997 . 0 0 "[ . 1 ]" 1
479 1 16 ILE H 1 51 PHE HA 2.650 . 3.500 2.517 2.247 2.855 . 0 0 "[ . 1 ]" 1
480 1 19 ARG HA 1 20 ILE H 2.650 . 3.500 2.232 2.202 2.268 . 0 0 "[ . 1 ]" 1
481 1 62 MET H 1 96 ASP HA 2.650 . 3.500 1.826 1.733 2.008 0.067 6 0 "[ . 1 ]" 1
482 1 138 MET HA 1 139 ALA H 2.650 . 3.500 3.142 2.977 3.282 . 0 0 "[ . 1 ]" 1
483 1 20 ILE HA 1 21 ILE H 2.650 . 3.500 2.245 2.173 2.418 . 0 0 "[ . 1 ]" 1
484 1 145 THR HA 1 146 LYS H 2.650 . 3.500 2.432 2.187 3.245 . 0 0 "[ . 1 ]" 1
485 1 63 ILE H 1 63 ILE HA 2.650 . 3.500 2.986 2.977 2.996 . 0 0 "[ . 1 ]" 1
486 1 62 MET HA 1 63 ILE H . . 2.500 2.198 2.167 2.252 . 0 0 "[ . 1 ]" 1
487 1 125 ALA H 1 125 ALA HA 2.650 . 3.500 2.815 2.736 2.896 . 0 0 "[ . 1 ]" 1
488 1 20 ILE HA 1 63 ILE H 2.650 . 3.500 2.576 2.285 2.979 . 0 0 "[ . 1 ]" 1
489 1 31 THR HB 1 32 VAL H 2.650 . 3.500 2.349 2.218 2.498 . 0 0 "[ . 1 ]" 1
490 1 116 LEU HG 1 145 THR H 2.650 . 3.500 3.330 2.856 3.550 0.050 11 0 "[ . 1 ]" 1
491 1 159 GLN H 1 159 GLN HA 2.650 . 3.500 2.893 2.804 2.962 . 0 0 "[ . 1 ]" 1
492 1 60 ASP HA 1 61 ILE H 3.400 . 5.000 3.579 3.550 3.616 . 0 0 "[ . 1 ]" 1
493 1 97 SER HA 1 98 HIS H . . 2.500 2.234 2.135 2.361 . 0 0 "[ . 1 ]" 1
494 1 158 ILE H 1 158 ILE HA 2.650 . 3.500 2.897 2.768 2.963 . 0 0 "[ . 1 ]" 1
495 1 84 ALA HA 1 100 ASP H 2.650 . 3.500 3.154 2.380 3.571 0.071 6 0 "[ . 1 ]" 1
496 1 105 TRP HA 1 112 TYR H 2.650 . 3.500 3.484 3.149 3.661 0.161 8 0 "[ . 1 ]" 1
497 1 86 ALA H 1 86 ALA HA 2.650 . 3.500 2.963 2.899 2.995 . 0 0 "[ . 1 ]" 1
498 1 85 HIS HA 1 86 ALA H 2.650 . 3.500 2.509 2.271 2.797 . 0 0 "[ . 1 ]" 1
499 1 124 HIS H 1 124 HIS HA 2.650 . 3.500 2.871 2.833 2.915 . 0 0 "[ . 1 ]" 1
500 1 25 PRO HA 1 26 ASP H 2.650 . 3.500 3.500 3.441 3.565 0.065 2 0 "[ . 1 ]" 1
501 1 135 GLY QA 1 136 ALA H 2.650 . 3.500 2.927 2.897 2.948 . 0 0 "[ . 1 ]" 1
502 1 37 ALA H 1 37 ALA HA 2.650 . 3.500 2.838 2.774 2.918 . 0 0 "[ . 1 ]" 1
503 1 54 ILE H 1 54 ILE HA 2.650 . 3.500 2.985 2.966 2.998 . 0 0 "[ . 1 ]" 1
504 1 65 PHE HA 1 99 PHE H 2.650 . 3.500 2.042 1.864 2.300 . 0 0 "[ . 1 ]" 1
505 1 151 SER HA 1 152 GLN H 2.650 . 3.500 2.193 2.160 2.255 . 0 0 "[ . 1 ]" 1
506 1 151 SER QB 1 152 GLN H 2.650 . 3.500 3.172 3.018 3.318 . 0 0 "[ . 1 ]" 1
507 1 83 LEU H 1 83 LEU HA 2.650 . 3.500 2.987 2.964 2.999 . 0 0 "[ . 1 ]" 1
508 1 87 PHE H 1 87 PHE HA 2.650 . 3.500 2.966 2.934 2.990 . 0 0 "[ . 1 ]" 1
509 1 74 TYR H 1 74 TYR HA 2.650 . 3.500 2.879 2.343 2.995 . 0 0 "[ . 1 ]" 1
510 1 127 GLY QA 1 128 LEU H 2.650 . 3.500 2.742 2.382 2.928 . 0 0 "[ . 1 ]" 1
511 1 19 ARG H 1 62 MET HA 2.650 . 3.500 2.949 2.196 3.355 . 0 0 "[ . 1 ]" 1
512 1 34 ASP H 1 34 ASP HA 2.650 . 3.500 2.897 2.849 2.932 . 0 0 "[ . 1 ]" 1
513 1 55 HIS H 1 55 HIS HA 2.650 . 3.500 2.942 2.841 2.997 . 0 0 "[ . 1 ]" 1
514 1 28 ASP HA 1 31 THR H 2.650 . 3.500 3.861 3.817 3.916 0.416 10 0 "[ . 1 ]" 1
515 1 44 SER H 1 44 SER HA 2.650 . 3.500 2.896 2.789 2.966 . 0 0 "[ . 1 ]" 1
516 1 107 ASN H 1 107 ASN HA 2.650 . 3.500 2.908 2.351 2.990 . 0 0 "[ . 1 ]" 1
517 1 106 THR HA 1 107 ASN H 2.650 . 3.500 2.646 2.223 3.517 0.017 6 0 "[ . 1 ]" 1
518 1 76 PHE H 1 76 PHE HA 2.650 . 3.500 2.643 2.329 2.936 . 0 0 "[ . 1 ]" 1
519 1 154 ASP H 1 154 ASP HA 2.650 . 3.500 2.929 2.872 2.957 . 0 0 "[ . 1 ]" 1
520 1 17 THR H 1 17 THR HB 3.400 . 5.000 3.530 3.215 3.753 . 0 0 "[ . 1 ]" 1
521 1 52 SER H 1 52 SER HA 2.650 . 3.500 2.992 2.981 3.001 . 0 0 "[ . 1 ]" 1
522 1 44 SER HA 1 49 LEU H 2.650 . 3.500 3.454 3.042 3.631 0.131 4 0 "[ . 1 ]" 1
523 1 44 SER QB 1 45 ASP H 2.650 . 3.500 2.970 2.709 3.234 . 0 0 "[ . 1 ]" 1
524 1 105 TRP H 1 105 TRP QB 2.650 . 3.500 2.618 2.183 3.172 . 0 0 "[ . 1 ]" 1
525 1 110 ALA H 1 110 ALA HA 2.650 . 3.500 2.827 2.358 2.979 . 0 0 "[ . 1 ]" 1
526 1 16 ILE H 1 16 ILE HA 2.650 . 3.500 2.985 2.976 2.996 . 0 0 "[ . 1 ]" 1
527 1 81 GLY QA 1 82 LEU H . . 2.500 2.161 2.088 2.201 . 0 0 "[ . 1 ]" 1
528 1 101 ASP H 1 101 ASP QB 2.650 . 3.500 2.316 2.241 2.508 . 0 0 "[ . 1 ]" 1
529 1 61 ILE HA 1 62 MET H 2.650 . 3.500 2.249 2.145 2.371 . 0 0 "[ . 1 ]" 1
530 1 62 MET H 1 96 ASP QB 2.650 . 3.500 3.102 2.977 3.225 . 0 0 "[ . 1 ]" 1
531 1 80 ASP H 1 80 ASP HA 2.650 . 3.500 2.465 2.345 2.883 . 0 0 "[ . 1 ]" 1
532 1 149 ARG H 1 149 ARG HA 2.650 . 3.500 2.964 2.785 2.995 . 0 0 "[ . 1 ]" 1
533 1 32 VAL H 1 32 VAL HA 2.650 . 3.500 2.798 2.747 2.833 . 0 0 "[ . 1 ]" 1
534 1 133 ASP H 1 133 ASP QB 2.650 . 3.500 2.234 2.048 3.007 . 0 0 "[ . 1 ]" 1
535 1 124 HIS QB 1 125 ALA H 2.650 . 3.500 2.524 2.367 2.747 . 0 0 "[ . 1 ]" 1
536 1 156 LYS HA 1 159 GLN H 3.400 . 5.000 3.502 3.195 4.141 . 0 0 "[ . 1 ]" 1
537 1 159 GLN H 1 159 GLN QG 2.650 . 3.500 2.771 1.988 3.193 . 0 0 "[ . 1 ]" 1
538 1 61 ILE H 1 61 ILE HA 2.650 . 3.500 2.967 2.944 2.999 . 0 0 "[ . 1 ]" 1
539 1 35 ALA H 1 35 ALA HA 2.650 . 3.500 2.802 2.736 2.867 . 0 0 "[ . 1 ]" 1
540 1 98 HIS H 1 98 HIS QB 2.650 . 3.500 2.641 2.216 3.054 . 0 0 "[ . 1 ]" 1
541 1 34 ASP QB 1 35 ALA H 2.650 . 3.500 2.531 2.175 2.735 . 0 0 "[ . 1 ]" 1
542 1 157 GLY QA 1 158 ILE H 2.650 . 3.500 2.767 2.609 2.890 . 0 0 "[ . 1 ]" 1
543 1 87 PHE QB 1 88 ALA H 3.400 . 3.500 2.793 2.414 2.993 . 0 0 "[ . 1 ]" 1
544 1 26 ASP H 1 26 ASP HA 2.650 . 3.500 2.764 2.727 2.939 . 0 0 "[ . 1 ]" 1
545 1 123 GLY QA 1 124 HIS H 2.650 . 3.500 2.709 2.648 2.816 . 0 0 "[ . 1 ]" 1
546 1 26 ASP H 1 26 ASP QB 2.650 . 3.500 2.436 2.143 2.741 . 0 0 "[ . 1 ]" 1
547 1 85 HIS QB 1 86 ALA H 2.650 . 3.500 2.451 2.050 2.839 . 0 0 "[ . 1 ]" 1
548 1 144 TYR H 1 144 TYR QB 2.650 . 3.500 2.541 2.125 3.063 . 0 0 "[ . 1 ]" 1
549 1 143 THR HA 1 144 TYR H 2.650 . 3.500 2.786 2.213 3.578 0.078 8 0 "[ . 1 ]" 1
550 1 118 ALA H 1 118 ALA HA 2.650 . 3.500 2.835 2.782 2.885 . 0 0 "[ . 1 ]" 1
551 1 60 ASP H 1 60 ASP QB 2.650 . 3.500 2.355 2.123 2.969 . 0 0 "[ . 1 ]" 1
552 1 99 PHE H 1 99 PHE HA 2.650 . 3.500 2.984 2.965 2.995 . 0 0 "[ . 1 ]" 1
553 1 87 PHE H 1 87 PHE QB 2.650 . 3.500 2.218 2.160 2.396 . 0 0 "[ . 1 ]" 1
554 1 160 GLU H 1 160 GLU HA 2.650 . 3.500 2.901 2.760 2.954 . 0 0 "[ . 1 ]" 1
555 1 94 GLY QA 1 95 GLY H 2.650 . 3.500 2.222 2.158 2.292 . 0 0 "[ . 1 ]" 1
556 1 144 TYR QB 1 145 THR H 2.650 . 3.500 3.237 2.965 3.348 . 0 0 "[ . 1 ]" 1
557 1 68 TRP H 1 68 TRP HA 2.650 . 3.500 2.802 2.355 2.959 . 0 0 "[ . 1 ]" 1
558 1 28 ASP H 1 28 ASP QB 2.650 . 3.500 2.230 2.072 2.502 . 0 0 "[ . 1 ]" 1
559 1 156 LYS H 1 156 LYS HA 2.650 . 3.500 2.907 2.857 2.948 . 0 0 "[ . 1 ]" 1
560 1 152 GLN HA 1 153 ASP H 2.650 . 3.500 3.533 3.484 3.585 0.085 4 0 "[ . 1 ]" 1
561 1 33 ASP H 1 33 ASP QB 2.650 . 3.500 2.202 2.102 2.440 . 0 0 "[ . 1 ]" 1
562 1 34 ASP H 1 34 ASP QB . . 2.500 2.241 2.095 2.317 . 0 0 "[ . 1 ]" 1
563 1 31 THR H 1 31 THR HA 2.650 . 3.500 2.930 2.903 2.946 . 0 0 "[ . 1 ]" 1
564 1 155 ILE H 1 155 ILE HA 2.650 . 3.500 2.864 2.808 2.907 . 0 0 "[ . 1 ]" 1
565 1 119 ALA H 1 119 ALA HA 2.650 . 3.500 2.802 2.765 2.839 . 0 0 "[ . 1 ]" 1
566 1 43 TRP QB 1 44 SER H 2.650 . 3.500 2.783 2.213 3.084 . 0 0 "[ . 1 ]" 1
567 1 154 ASP QB 1 155 ILE H 2.650 . 3.500 2.685 2.446 2.827 . 0 0 "[ . 1 ]" 1
568 1 18 TYR QB 1 19 ARG H 2.650 . 3.500 2.657 2.169 2.871 . 0 0 "[ . 1 ]" 1
569 1 150 LEU HA 1 151 SER H 2.650 . 3.500 2.594 2.211 3.478 . 0 0 "[ . 1 ]" 1
570 1 120 HIS QB 1 121 GLU H 2.650 . 3.500 2.199 1.926 2.748 . 0 0 "[ . 1 ]" 1
571 1 76 PHE H 1 76 PHE QB 2.650 . 3.500 2.748 2.032 3.226 . 0 0 "[ . 1 ]" 1
572 1 68 TRP HA 1 76 PHE H 2.650 . 3.500 3.063 2.513 3.555 0.055 11 0 "[ . 1 ]" 1
573 1 52 SER H 1 52 SER QB 2.650 . 3.500 2.489 2.333 2.616 . 0 0 "[ . 1 ]" 1
574 1 154 ASP H 1 154 ASP QB 2.650 . 3.500 2.317 2.112 2.625 . 0 0 "[ . 1 ]" 1
575 1 18 TYR H 1 53 ARG HA 2.650 . 3.500 2.739 2.320 3.320 . 0 0 "[ . 1 ]" 1
576 1 45 ASP H 1 45 ASP QB 2.650 . 3.500 2.241 2.079 2.501 . 0 0 "[ . 1 ]" 1
577 1 114 LEU H 1 114 LEU QB 2.650 . 3.500 2.104 2.066 2.150 . 0 0 "[ . 1 ]" 1
578 1 58 GLU QG 1 59 ALA H 2.650 . 3.500 2.671 1.887 3.188 . 0 0 "[ . 1 ]" 1
579 1 58 GLU QB 1 59 ALA H 2.650 . 3.500 2.874 2.635 3.071 . 0 0 "[ . 1 ]" 1
580 1 137 LEU H 1 137 LEU QB 2.650 . 3.500 2.254 2.156 2.363 . 0 0 "[ . 1 ]" 1
581 1 110 ALA H 1 110 ALA MB 2.650 . 3.500 2.614 2.149 2.951 . 0 0 "[ . 1 ]" 1
582 1 104 LEU H 1 104 LEU QB 2.650 . 3.500 2.620 2.196 3.240 . 0 0 "[ . 1 ]" 1
583 1 16 ILE H 1 16 ILE HB 2.650 . 3.500 2.743 2.363 3.043 . 0 0 "[ . 1 ]" 1
584 1 20 ILE H 1 20 ILE HB 2.650 . 3.500 2.676 2.445 3.576 0.076 4 0 "[ . 1 ]" 1
585 1 20 ILE H 1 20 ILE MD 2.650 . 3.500 2.646 2.024 2.969 . 0 0 "[ . 1 ]" 1
586 1 62 MET H 1 62 MET QB 2.650 . 3.500 2.581 2.427 2.841 . 0 0 "[ . 1 ]" 1
587 1 61 ILE HB 1 62 MET H 2.650 . 3.500 3.553 3.392 3.628 0.128 10 0 "[ . 1 ]" 1
588 1 79 LYS QB 1 80 ASP H 2.650 . 3.500 2.527 1.948 3.106 . 0 0 "[ . 1 ]" 1
589 1 21 ILE H 1 21 ILE HB 2.650 . 3.500 2.620 2.347 3.020 . 0 0 "[ . 1 ]" 1
590 1 21 ILE H 1 21 ILE QG 2.650 . 3.500 2.224 1.869 2.860 . 0 0 "[ . 1 ]" 1
591 1 149 ARG H 1 149 ARG QB 2.650 . 3.500 2.631 2.311 3.120 . 0 0 "[ . 1 ]" 1
592 1 79 LYS QG 1 80 ASP H 2.650 . 3.500 3.115 2.799 3.301 . 0 0 "[ . 1 ]" 1
593 1 38 ARG QB 1 39 ALA H 2.650 . 3.500 2.498 2.274 2.756 . 0 0 "[ . 1 ]" 1
594 1 125 ALA H 1 125 ALA MB 2.650 . 3.500 2.203 2.062 2.278 . 0 0 "[ . 1 ]" 1
595 1 63 ILE H 1 63 ILE HB 2.650 . 3.500 2.537 2.398 2.826 . 0 0 "[ . 1 ]" 1
596 1 31 THR MG 1 32 VAL H 3.400 . 5.000 2.858 2.277 3.204 . 0 0 "[ . 1 ]" 1
597 1 132 GLN QB 1 133 ASP H 2.650 . 3.500 2.885 1.893 3.290 . 0 0 "[ . 1 ]" 1
598 1 79 LYS H 1 79 LYS QG 2.650 . 3.500 2.802 2.362 3.116 . 0 0 "[ . 1 ]" 1
599 1 158 ILE MG 1 159 GLN H 2.650 . 3.500 2.058 1.730 2.522 0.070 7 0 "[ . 1 ]" 1
600 1 60 ASP QB 1 61 ILE H 2.650 . 3.500 2.265 2.095 2.456 . 0 0 "[ . 1 ]" 1
601 1 102 ASP H 1 102 ASP QB 2.650 . 3.500 2.580 2.155 3.231 . 0 0 "[ . 1 ]" 1
602 1 35 ALA H 1 35 ALA MB 2.650 . 3.500 2.182 2.051 2.247 . 0 0 "[ . 1 ]" 1
603 1 158 ILE H 1 158 ILE MG 2.650 . 3.500 2.270 1.837 2.639 . 0 0 "[ . 1 ]" 1
604 1 158 ILE H 1 158 ILE HB 2.650 . 3.500 2.504 2.341 2.810 . 0 0 "[ . 1 ]" 1
605 1 112 TYR H 1 112 TYR QB 2.650 . 3.500 2.427 2.131 2.778 . 0 0 "[ . 1 ]" 1
606 1 25 PRO QB 1 26 ASP H 2.650 . 3.500 3.194 3.075 3.303 . 0 0 "[ . 1 ]" 1
607 1 37 ALA H 1 37 ALA MB 2.650 . 3.500 2.149 2.071 2.272 . 0 0 "[ . 1 ]" 1
608 1 136 ALA H 1 136 ALA MB 2.650 . 3.500 2.148 2.048 2.317 . 0 0 "[ . 1 ]" 1
609 1 86 ALA H 1 86 ALA MB 3.400 . 5.000 2.622 2.475 2.813 . 0 0 "[ . 1 ]" 1
610 1 117 VAL HB 1 118 ALA H 2.650 . 3.500 3.461 3.213 3.612 0.112 3 0 "[ . 1 ]" 1
611 1 53 ARG QB 1 54 ILE H 3.400 . 5.000 3.125 2.586 3.700 . 0 0 "[ . 1 ]" 1
612 1 51 PHE H 1 51 PHE QB 2.650 . 3.500 2.368 2.243 2.547 . 0 0 "[ . 1 ]" 1
613 1 152 GLN H 1 152 GLN QB 2.650 . 3.500 2.388 2.177 2.700 . 0 0 "[ . 1 ]" 1
614 1 99 PHE H 1 99 PHE QB 2.650 . 3.500 2.407 2.317 2.602 . 0 0 "[ . 1 ]" 1
615 1 117 VAL QG 1 118 ALA H 3.400 . 5.000 1.799 1.693 1.928 0.107 6 0 "[ . 1 ]" 1
616 1 129 GLU H 1 129 GLU QB 2.650 . 3.500 2.670 2.341 3.052 . 0 0 "[ . 1 ]" 1
617 1 128 LEU QB 1 129 GLU H 2.650 . 3.500 2.860 2.158 3.027 . 0 0 "[ . 1 ]" 1
618 1 74 TYR H 1 74 TYR QB 2.650 . 3.500 2.751 2.123 3.234 . 0 0 "[ . 1 ]" 1
619 1 145 THR H 1 145 THR MG 2.650 . 3.500 2.159 1.855 2.932 . 0 0 "[ . 1 ]" 1
620 1 67 ARG QB 1 68 TRP H 2.650 . 3.500 2.143 1.819 3.177 . 0 0 "[ . 1 ]" 1
621 1 153 ASP H 1 153 ASP QB 2.650 . 3.500 2.523 2.113 2.927 . 0 0 "[ . 1 ]" 1
622 1 128 LEU H 1 128 LEU QB 2.650 . 3.500 2.289 2.017 2.544 . 0 0 "[ . 1 ]" 1
623 1 128 LEU H 1 128 LEU HG 2.650 . 3.500 2.860 1.912 3.612 0.112 11 0 "[ . 1 ]" 1
624 1 39 ALA MB 1 119 ALA H 3.400 . 5.000 3.781 3.279 4.062 . 0 0 "[ . 1 ]" 1
625 1 31 THR H 1 31 THR MG 3.400 . 5.000 3.744 3.693 3.808 . 0 0 "[ . 1 ]" 1
626 1 15 GLN H 1 15 GLN QG 2.650 . 3.500 2.607 1.969 3.095 . 0 0 "[ . 1 ]" 1
627 1 153 ASP QB 1 154 ASP H 2.650 . 3.500 2.710 2.167 3.118 . 0 0 "[ . 1 ]" 1
628 1 17 THR MG 1 52 SER H 3.400 . 5.000 3.657 2.987 3.876 . 0 0 "[ . 1 ]" 1
629 1 51 PHE QB 1 52 SER H 2.650 . 3.500 2.942 2.765 3.078 . 0 0 "[ . 1 ]" 1
630 1 17 THR H 1 17 THR MG 3.400 . 5.000 3.513 2.940 3.826 . 0 0 "[ . 1 ]" 1
631 1 49 LEU H 1 49 LEU QB 2.650 . 3.500 2.190 2.028 2.329 . 0 0 "[ . 1 ]" 1
632 1 59 ALA H 1 59 ALA MB 2.650 . 3.500 2.663 2.479 2.935 . 0 0 "[ . 1 ]" 1
633 1 104 LEU MD1 1 105 TRP H 3.400 . 5.000 3.508 1.782 4.162 0.018 6 0 "[ . 1 ]" 1
634 1 141 ILE MG 1 142 TYR H 3.400 . 5.000 2.525 1.810 3.514 . 0 0 "[ . 1 ]" 1
635 1 16 ILE H 1 16 ILE QG 2.650 . 3.500 2.346 1.838 2.992 . 0 0 "[ . 1 ]" 1
636 1 20 ILE H 1 20 ILE QG 2.650 . 3.500 2.362 1.804 2.576 . 0 0 "[ . 1 ]" 1
637 1 61 ILE MG 1 62 MET H 3.400 . 5.000 2.928 1.782 3.677 0.018 5 0 "[ . 1 ]" 1
638 1 20 ILE MG 1 21 ILE H 3.400 . 5.000 2.596 1.923 4.112 . 0 0 "[ . 1 ]" 1
639 1 32 VAL H 1 32 VAL MG1 2.650 . 3.500 2.767 2.596 2.964 . 0 0 "[ . 1 ]" 1
640 1 84 ALA MB 1 100 ASP H 3.400 . 5.000 3.123 2.276 3.746 . 0 0 "[ . 1 ]" 1
641 1 100 ASP H 1 100 ASP QB 2.650 . 3.500 2.144 2.050 2.295 . 0 0 "[ . 1 ]" 1
642 1 128 LEU MD1 1 158 ILE H 3.400 . 5.000 3.306 2.781 3.896 . 0 0 "[ . 1 ]" 1
643 1 63 ILE MG 1 64 ASN H 3.400 . 5.000 2.083 1.838 2.516 . 0 0 "[ . 1 ]" 1
644 1 24 THR MG 1 26 ASP H 3.400 . 5.000 3.365 1.732 4.149 0.068 2 0 "[ . 1 ]" 1
645 1 143 THR MG 1 144 TYR H 3.400 . 5.000 3.612 3.073 4.003 . 0 0 "[ . 1 ]" 1
646 1 59 ALA MB 1 60 ASP H 2.650 . 3.500 2.686 2.008 2.940 . 0 0 "[ . 1 ]" 1
647 1 118 ALA H 1 118 ALA MB 2.650 . 3.500 2.178 2.045 2.273 . 0 0 "[ . 1 ]" 1
648 1 116 LEU MD1 1 145 THR H 3.400 . 5.000 3.671 2.939 4.158 . 0 0 "[ . 1 ]" 1
649 1 155 ILE MD 1 156 LYS H 3.400 . 5.000 3.063 2.759 3.284 . 0 0 "[ . 1 ]" 1
650 1 19 ARG H 1 59 ALA MB 2.650 . 3.500 2.816 2.469 2.975 . 0 0 "[ . 1 ]" 1
651 1 119 ALA H 1 119 ALA MB 2.650 . 3.500 2.137 2.046 2.256 . 0 0 "[ . 1 ]" 1
652 1 16 ILE MG 1 17 THR H 2.650 . 3.500 2.053 1.752 2.393 0.048 7 0 "[ . 1 ]" 1
653 1 135 GLY H 1 135 GLY QA 2.650 . 3.500 2.330 2.265 2.419 . 0 0 "[ . 1 ]" 1
654 1 115 PHE H 1 116 LEU H 2.650 . 3.500 2.761 2.463 2.953 . 0 0 "[ . 1 ]" 1
655 1 21 ILE H 1 21 ILE HA 2.650 . 3.500 2.921 2.818 2.989 . 0 0 "[ . 1 ]" 1
656 1 91 THR HA 1 92 GLY H 2.650 . 3.500 2.410 2.164 3.486 . 0 0 "[ . 1 ]" 1
657 1 101 ASP QB 1 102 ASP H 2.650 . 3.500 2.425 1.781 3.265 0.019 7 0 "[ . 1 ]" 1
658 1 106 THR H 1 106 THR MG 3.400 . 5.000 2.716 2.424 3.051 . 0 0 "[ . 1 ]" 1
659 1 115 PHE H 1 115 PHE QB 2.650 . 3.500 2.200 2.076 2.341 . 0 0 "[ . 1 ]" 1
660 1 17 THR H 1 17 THR HA 2.650 . 3.500 2.986 2.970 2.998 . 0 0 "[ . 1 ]" 1
661 1 41 GLN HA 1 44 SER H 2.650 . 3.500 3.335 2.892 3.585 0.085 4 0 "[ . 1 ]" 1
662 1 114 LEU H 1 115 PHE H 2.650 . 3.500 2.936 2.649 3.248 . 0 0 "[ . 1 ]" 1
663 1 83 LEU H 1 83 LEU QB 2.650 . 3.500 2.478 2.300 2.675 . 0 0 "[ . 1 ]" 1
664 1 66 GLY H 1 66 GLY QA 2.650 . 3.500 2.450 2.343 2.534 . 0 0 "[ . 1 ]" 1
665 1 66 GLY QA 1 67 ARG H 2.650 . 3.500 2.440 2.130 2.887 . 0 0 "[ . 1 ]" 1
666 1 43 TRP H 1 45 ASP H 2.650 . 3.500 3.570 3.496 3.618 0.118 2 0 "[ . 1 ]" 1
667 1 77 ASP H 1 78 GLY H 2.650 . 3.500 2.396 1.792 3.484 0.008 1 0 "[ . 1 ]" 1
668 1 161 LEU H 1 162 TYR H 2.650 . 3.500 2.354 2.182 2.633 . 0 0 "[ . 1 ]" 1
669 1 116 LEU H 1 117 VAL H 2.650 . 3.500 2.887 2.681 3.068 . 0 0 "[ . 1 ]" 1
670 1 162 TYR H 1 163 GLY H 2.650 . 3.500 2.540 1.833 3.424 . 0 0 "[ . 1 ]" 1
671 1 131 SER H 1 131 SER QB 2.650 . 3.500 2.627 2.162 3.104 . 0 0 "[ . 1 ]" 1
672 1 127 GLY H 1 127 GLY QA 2.650 . 3.500 2.410 2.283 2.537 . 0 0 "[ . 1 ]" 1
673 1 39 ALA H 1 40 PHE H 2.650 . 3.500 2.823 2.685 2.969 . 0 0 "[ . 1 ]" 1
674 1 117 VAL H 1 117 VAL QG 2.650 . 3.500 1.787 1.744 1.854 0.056 2 0 "[ . 1 ]" 1
675 1 78 GLY QA 1 79 LYS H 2.650 . 3.500 2.266 2.136 2.379 . 0 0 "[ . 1 ]" 1
676 1 86 ALA MB 1 87 PHE H 3.400 . 5.000 2.658 2.363 2.921 . 0 0 "[ . 1 ]" 1
677 1 36 PHE H 1 37 ALA H 2.650 . 3.500 2.582 2.242 2.894 . 0 0 "[ . 1 ]" 1
678 1 126 MET H 1 127 GLY H 2.650 . 3.500 2.759 2.138 3.491 . 0 0 "[ . 1 ]" 1
679 1 116 LEU QB 1 117 VAL H 2.650 . 3.500 2.211 2.007 2.422 . 0 0 "[ . 1 ]" 1
680 1 17 THR MG 1 18 TYR H 3.400 . 5.000 3.326 2.696 3.817 . 0 0 "[ . 1 ]" 1
681 1 40 PHE H 1 40 PHE HA 2.650 . 3.500 2.817 2.780 2.882 . 0 0 "[ . 1 ]" 1
682 1 141 ILE HB 1 142 TYR H 2.650 . 3.500 3.062 1.874 3.575 0.075 1 0 "[ . 1 ]" 1
683 1 136 ALA MB 1 139 ALA H 2.650 . 3.500 2.671 2.437 2.855 . 0 0 "[ . 1 ]" 1
684 1 46 VAL H 1 47 THR H 2.650 . 3.500 2.311 1.918 2.673 . 0 0 "[ . 1 ]" 1
685 1 162 TYR H 1 162 TYR QB 2.650 . 3.500 2.570 2.371 3.212 . 0 0 "[ . 1 ]" 1
686 1 63 ILE HA 1 64 ASN H 2.650 . 3.500 2.317 2.222 2.405 . 0 0 "[ . 1 ]" 1
687 1 80 ASP QB 1 81 GLY H . . 2.500 1.887 1.791 2.139 0.009 4 0 "[ . 1 ]" 1
688 1 39 ALA H 1 39 ALA MB 2.650 . 3.500 2.148 2.066 2.269 . 0 0 "[ . 1 ]" 1
689 1 30 GLU HA 1 31 THR H 2.650 . 3.500 3.526 3.483 3.564 0.064 8 0 "[ . 1 ]" 1
690 1 38 ARG H 1 38 ARG HA 2.650 . 3.500 2.845 2.791 2.903 . 0 0 "[ . 1 ]" 1
691 1 37 ALA MB 1 38 ARG H 3.400 . 5.000 2.343 1.997 2.663 . 0 0 "[ . 1 ]" 1
692 1 40 PHE H 1 40 PHE QB 2.650 . 3.500 2.219 2.067 2.393 . 0 0 "[ . 1 ]" 1
693 1 61 ILE H 1 61 ILE HB 2.650 . 3.500 3.202 2.649 3.572 0.072 8 0 "[ . 1 ]" 1
694 1 155 ILE H 1 155 ILE HB 2.650 . 3.500 3.576 3.532 3.613 0.113 7 0 "[ . 1 ]" 1
695 1 79 LYS H 1 79 LYS HA 2.650 . 3.500 2.775 2.368 2.886 . 0 0 "[ . 1 ]" 1
696 1 159 GLN HA 1 162 TYR H 3.400 . 3.500 3.490 3.307 3.614 0.114 11 0 "[ . 1 ]" 1
697 1 60 ASP H 1 60 ASP HA 2.650 . 3.500 2.878 2.806 2.983 . 0 0 "[ . 1 ]" 1
698 1 76 PHE QB 1 77 ASP H 2.650 . 3.500 2.696 1.835 3.211 . 0 0 "[ . 1 ]" 1
699 1 41 GLN H 1 41 GLN HA 2.650 . 3.500 2.919 2.887 2.950 . 0 0 "[ . 1 ]" 1
700 1 88 ALA H 1 88 ALA MB 2.650 . 3.500 2.109 2.032 2.253 . 0 0 "[ . 1 ]" 1
701 1 160 GLU H 1 160 GLU QG 2.650 . 3.500 2.628 1.961 3.183 . 0 0 "[ . 1 ]" 1
702 1 7 ARG H 1 7 ARG HA 2.650 . 3.500 2.718 2.345 2.988 . 0 0 "[ . 1 ]" 1
703 1 39 ALA H 1 39 ALA HA 2.650 . 3.500 2.818 2.761 2.867 . 0 0 "[ . 1 ]" 1
704 1 42 VAL H 1 42 VAL HA 2.650 . 3.500 2.887 2.781 2.968 . 0 0 "[ . 1 ]" 1
705 1 42 VAL H 1 43 TRP H 2.650 . 3.500 2.509 2.171 2.802 . 0 0 "[ . 1 ]" 1
706 1 161 LEU H 1 161 LEU QB 2.650 . 3.500 2.231 2.122 2.374 . 0 0 "[ . 1 ]" 1
707 1 116 LEU H 1 116 LEU MD1 3.400 . 5.000 4.003 2.344 4.322 . 0 0 "[ . 1 ]" 1
708 1 90 GLY H 1 90 GLY QA 2.650 . 3.500 2.514 2.403 2.536 . 0 0 "[ . 1 ]" 1
709 1 89 PRO HA 1 90 GLY H 2.650 . 3.500 2.284 2.217 2.364 . 0 0 "[ . 1 ]" 1
710 1 116 LEU H 1 117 VAL QG 3.400 . 5.000 3.433 3.171 3.577 . 0 0 "[ . 1 ]" 1
711 1 42 VAL H 1 42 VAL MG1 2.650 . 3.500 2.745 2.555 2.823 . 0 0 "[ . 1 ]" 1
712 1 140 PRO HA 1 141 ILE H 2.650 . 3.500 3.189 2.606 3.340 . 0 0 "[ . 1 ]" 1
713 1 141 ILE H 1 141 ILE HB 2.650 . 3.500 3.241 2.656 3.661 0.161 4 0 "[ . 1 ]" 1
714 1 115 PHE QB 1 116 LEU H 2.650 . 3.500 2.693 2.380 2.908 . 0 0 "[ . 1 ]" 1
715 1 46 VAL H 1 46 VAL MG1 2.650 . 3.500 2.182 1.856 2.686 . 0 0 "[ . 1 ]" 1
716 1 125 ALA MB 1 126 MET H 3.400 . 5.000 2.929 2.673 3.245 . 0 0 "[ . 1 ]" 1
717 1 116 LEU H 1 116 LEU HA 2.650 . 3.500 2.858 2.816 2.916 . 0 0 "[ . 1 ]" 1
718 1 161 LEU H 1 161 LEU HA 2.650 . 3.500 2.956 2.894 2.983 . 0 0 "[ . 1 ]" 1
719 1 82 LEU HA 1 84 ALA H 2.650 . 3.500 3.559 3.369 3.610 0.110 8 0 "[ . 1 ]" 1
720 1 141 ILE H 1 141 ILE HA 2.650 . 3.500 2.974 2.917 2.988 . 0 0 "[ . 1 ]" 1
721 1 43 TRP H 1 43 TRP HA 2.650 . 3.500 2.986 2.971 2.998 . 0 0 "[ . 1 ]" 1
722 1 76 PHE HA 1 77 ASP H 2.650 . 3.500 2.520 2.187 3.519 0.019 9 0 "[ . 1 ]" 1
723 1 158 ILE HA 1 161 LEU H 3.400 . 5.000 3.287 2.911 3.618 . 0 0 "[ . 1 ]" 1
724 1 84 ALA HA 1 85 HIS H 2.650 . 3.500 2.400 2.273 2.651 . 0 0 "[ . 1 ]" 1
725 1 159 GLN HA 1 163 GLY H 2.650 . 3.500 2.659 2.256 3.467 . 0 0 "[ . 1 ]" 1
726 1 130 HIS H 1 130 HIS HA 2.650 . 3.500 2.814 2.765 2.929 . 0 0 "[ . 1 ]" 1
727 1 12 ASP HA 1 13 LYS H 2.650 . 3.500 2.474 2.246 3.056 . 0 0 "[ . 1 ]" 1
728 1 13 LYS H 1 13 LYS HA 2.650 . 3.500 2.971 2.909 2.996 . 0 0 "[ . 1 ]" 1
729 1 113 SER H 1 113 SER HA 2.650 . 3.500 2.703 2.340 2.979 . 0 0 "[ . 1 ]" 1
730 1 23 TYR HA 1 24 THR H 2.650 . 3.500 2.767 2.493 3.396 . 0 0 "[ . 1 ]" 1
731 1 37 ALA HA 1 40 PHE H 3.400 . 5.000 3.537 3.321 3.850 . 0 0 "[ . 1 ]" 1
732 1 130 HIS HA 1 131 SER H 2.650 . 3.500 2.299 2.170 2.536 . 0 0 "[ . 1 ]" 1
733 1 131 SER H 1 131 SER HA 2.650 . 3.500 2.975 2.943 2.996 . 0 0 "[ . 1 ]" 1
734 1 105 TRP HA 1 106 THR H 2.650 . 3.500 2.477 2.217 3.558 0.058 6 0 "[ . 1 ]" 1
735 1 106 THR H 1 106 THR HA 2.650 . 3.500 2.929 2.827 2.973 . 0 0 "[ . 1 ]" 1
736 1 107 ASN HA 1 108 THR H 3.400 . 5.000 3.065 2.486 3.369 . 0 0 "[ . 1 ]" 1
737 1 47 THR H 1 47 THR HA 2.650 . 3.500 2.906 2.846 2.996 . 0 0 "[ . 1 ]" 1
738 1 138 MET H 1 138 MET HA 2.650 . 3.500 2.977 2.942 2.989 . 0 0 "[ . 1 ]" 1
739 1 44 SER HA 1 47 THR H 2.650 . 3.500 3.320 2.912 3.586 0.086 2 0 "[ . 1 ]" 1
740 1 63 ILE HA 1 97 SER H 2.650 . 3.500 2.646 2.279 3.067 . 0 0 "[ . 1 ]" 1
741 1 97 SER H 1 97 SER HA 2.650 . 3.500 2.988 2.978 2.994 . 0 0 "[ . 1 ]" 1
742 1 46 VAL HA 1 47 THR H 2.650 . 3.500 3.220 3.070 3.474 . 0 0 "[ . 1 ]" 1
743 1 76 PHE HA 1 78 GLY H 2.650 . 3.500 3.625 3.504 3.722 0.222 8 0 "[ . 1 ]" 1
744 1 96 ASP HA 1 97 SER H 2.650 . 3.500 2.195 2.125 2.263 . 0 0 "[ . 1 ]" 1
745 1 22 GLY H 1 64 ASN HA 2.650 . 3.500 3.473 3.321 3.582 0.082 10 0 "[ . 1 ]" 1
746 1 65 PHE HA 1 66 GLY H 2.650 . 3.500 2.585 2.407 2.798 . 0 0 "[ . 1 ]" 1
747 1 46 VAL H 1 46 VAL HA 2.650 . 3.500 2.987 2.973 2.997 . 0 0 "[ . 1 ]" 1
748 1 45 ASP HA 1 46 VAL H 3.400 . 5.000 3.435 3.348 3.554 . 0 0 "[ . 1 ]" 1
749 1 44 SER HA 1 46 VAL H 3.400 . 5.000 3.563 3.343 4.047 . 0 0 "[ . 1 ]" 1
750 1 144 TYR HA 1 145 THR H 2.650 . 3.500 2.389 2.259 2.575 . 0 0 "[ . 1 ]" 1
751 1 145 THR H 1 145 THR HA 2.650 . 3.500 2.936 2.832 2.988 . 0 0 "[ . 1 ]" 1
752 1 67 ARG H 1 101 ASP QB 2.650 . 3.500 2.916 2.571 3.218 . 0 0 "[ . 1 ]" 1
753 1 42 VAL HA 1 43 TRP H 2.650 . 3.500 3.497 3.462 3.522 0.022 11 0 "[ . 1 ]" 1
754 1 29 PRO HA 1 30 GLU H 2.650 . 3.500 3.493 3.469 3.537 0.037 1 0 "[ . 1 ]" 1
755 1 26 ASP HA 1 27 LEU H 2.650 . 3.500 3.415 2.390 3.540 0.040 6 0 "[ . 1 ]" 1
756 1 112 TYR HA 1 113 SER H 2.650 . 3.500 3.034 2.184 3.534 0.034 6 0 "[ . 1 ]" 1
757 1 70 HIS QB 1 72 ASP H 2.650 . 3.500 2.548 2.259 2.785 . 0 0 "[ . 1 ]" 1
758 1 72 ASP H 1 72 ASP QB 2.650 . 3.500 2.482 2.071 3.311 . 0 0 "[ . 1 ]" 1
759 1 39 ALA HA 1 42 VAL H 3.400 . 5.000 3.080 2.774 3.942 . 0 0 "[ . 1 ]" 1
760 1 23 TYR QB 1 24 THR H 2.650 . 3.500 2.090 1.760 2.476 0.040 2 0 "[ . 1 ]" 1
761 1 36 PHE H 1 36 PHE QB 2.650 . 3.500 2.396 2.167 2.559 . 0 0 "[ . 1 ]" 1
762 1 122 PHE QB 1 123 GLY H 2.650 . 3.500 3.158 2.918 3.318 . 0 0 "[ . 1 ]" 1
763 1 65 PHE QB 1 66 GLY H 2.650 . 3.500 2.262 1.901 2.585 . 0 0 "[ . 1 ]" 1
764 1 45 ASP QB 1 46 VAL H 3.400 . 5.000 3.228 2.867 3.743 . 0 0 "[ . 1 ]" 1
765 1 114 LEU QB 1 115 PHE H 2.650 . 3.500 2.558 1.878 2.967 . 0 0 "[ . 1 ]" 1
766 1 35 ALA MB 1 115 PHE H 3.400 . 5.000 2.546 2.103 3.245 . 0 0 "[ . 1 ]" 1
767 1 67 ARG H 1 67 ARG QG 2.650 . 3.500 2.430 1.772 3.249 0.028 2 0 "[ . 1 ]" 1
768 1 77 ASP H 1 77 ASP QB 2.650 . 3.500 2.917 2.353 3.208 . 0 0 "[ . 1 ]" 1
769 1 116 LEU H 1 116 LEU QB 2.650 . 3.500 2.155 1.938 2.593 . 0 0 "[ . 1 ]" 1
770 1 27 LEU H 1 27 LEU QB 2.650 . 3.500 3.026 2.667 3.239 . 0 0 "[ . 1 ]" 1
771 1 41 GLN QB 1 42 VAL H 2.650 . 3.500 2.956 2.136 3.219 . 0 0 "[ . 1 ]" 1
772 1 13 LYS H 1 13 LYS QB 2.650 . 3.500 2.896 2.432 3.335 . 0 0 "[ . 1 ]" 1
773 1 13 LYS H 1 13 LYS QG 2.650 . 3.500 2.407 1.856 2.953 . 0 0 "[ . 1 ]" 1
774 1 39 ALA MB 1 40 PHE H 3.400 . 5.000 2.422 2.208 2.664 . 0 0 "[ . 1 ]" 1
775 1 131 SER H 1 138 MET QB 2.650 . 3.500 2.795 2.084 3.209 . 0 0 "[ . 1 ]" 1
776 1 161 LEU QB 1 162 TYR H 2.650 . 3.500 2.847 2.213 3.154 . 0 0 "[ . 1 ]" 1
777 1 83 LEU QB 1 84 ALA H 2.650 . 3.500 2.895 2.773 3.085 . 0 0 "[ . 1 ]" 1
778 1 35 ALA MB 1 36 PHE H 2.650 . 3.500 2.518 2.141 2.762 . 0 0 "[ . 1 ]" 1
779 1 126 MET H 1 126 MET QB 2.650 . 3.500 2.318 2.147 2.469 . 0 0 "[ . 1 ]" 1
780 1 108 THR H 1 108 THR MG 3.400 . 5.000 2.217 1.798 2.936 0.002 5 0 "[ . 1 ]" 1
781 1 138 MET H 1 138 MET QB 2.650 . 3.500 2.476 2.216 2.684 . 0 0 "[ . 1 ]" 1
782 1 137 LEU QB 1 138 MET H 2.650 . 3.500 2.918 2.668 3.196 . 0 0 "[ . 1 ]" 1
783 1 47 THR H 1 47 THR MG 3.400 . 5.000 2.651 1.809 3.851 . 0 0 "[ . 1 ]" 1
784 1 46 VAL MG1 1 47 THR H 3.400 . 5.000 3.426 2.804 4.204 . 0 0 "[ . 1 ]" 1
785 1 134 PRO QB 1 135 GLY H 2.650 . 3.500 3.239 3.003 3.509 0.009 11 0 "[ . 1 ]" 1
786 1 93 VAL HB 1 94 GLY H 2.650 . 3.500 3.486 3.287 3.620 0.120 6 0 "[ . 1 ]" 1
787 1 141 ILE H 1 141 ILE QG 2.650 . 3.500 2.393 1.847 2.839 . 0 0 "[ . 1 ]" 1
788 1 42 VAL MG1 1 43 TRP H 3.400 . 5.000 2.234 1.815 4.125 . 0 0 "[ . 1 ]" 1
789 1 42 VAL MG2 1 43 TRP H 3.400 . 5.000 3.912 1.980 4.201 . 0 0 "[ . 1 ]" 1
790 1 84 ALA MB 1 85 HIS H 2.650 . 3.500 2.595 2.063 2.872 . 0 0 "[ . 1 ]" 1
791 1 27 LEU H 1 27 LEU QD 2.650 . 3.500 2.164 1.690 2.962 0.110 4 0 "[ . 1 ]" 1
792 1 24 THR H 1 24 THR MG 2.650 . 3.500 2.035 1.777 2.819 0.023 8 0 "[ . 1 ]" 1
793 1 84 ALA H 1 84 ALA MB 2.650 . 3.500 2.932 2.871 2.979 . 0 0 "[ . 1 ]" 1
794 1 89 PRO QB 1 90 GLY H 2.650 . 3.500 3.048 2.825 3.210 . 0 0 "[ . 1 ]" 1
795 1 93 VAL MG1 1 94 GLY H 3.400 . 5.000 3.457 1.771 4.166 0.029 11 0 "[ . 1 ]" 1
796 1 46 VAL H 1 46 VAL MG2 3.400 . 5.000 3.213 2.002 3.875 . 0 0 "[ . 1 ]" 1
797 1 30 GLU H 1 31 THR H 2.650 . 3.500 2.364 2.254 2.508 . 0 0 "[ . 1 ]" 1
798 1 29 PRO QD 1 30 GLU H 3.400 . 5.000 2.288 2.083 2.413 . 0 0 "[ . 1 ]" 1
799 1 30 GLU H 1 30 GLU QG 2.650 . 3.500 2.418 1.935 2.981 . 0 0 "[ . 1 ]" 1
800 1 38 ARG HA 1 41 GLN H 2.650 . 3.500 3.263 2.932 3.475 . 0 0 "[ . 1 ]" 1
801 1 116 LEU HA 1 119 ALA H 2.650 . 3.500 3.518 3.343 3.638 0.138 7 0 "[ . 1 ]" 1
802 1 118 ALA MB 1 119 ALA H 3.400 . 5.000 2.457 2.266 2.576 . 0 0 "[ . 1 ]" 1
803 1 111 ASN H 1 111 ASN QB 2.650 . 3.500 2.668 2.138 3.023 . 0 0 "[ . 1 ]" 1
804 1 20 ILE H 1 20 ILE MG 3.400 . 5.000 3.652 2.169 3.833 . 0 0 "[ . 1 ]" 1
805 1 22 GLY H 1 23 TYR H 2.650 . 3.500 3.392 2.904 3.605 0.105 7 0 "[ . 1 ]" 1
806 1 30 GLU HA 1 33 ASP H 2.650 . 3.500 3.484 3.262 3.572 0.072 10 0 "[ . 1 ]" 1
807 1 19 ARG HA 1 54 ILE H 2.650 . 3.500 3.495 3.151 3.611 0.111 6 0 "[ . 1 ]" 1
808 1 64 ASN H 1 99 PHE H 2.650 . 3.500 3.530 3.431 3.620 0.120 1 0 "[ . 1 ]" 1
809 1 75 PRO HA 1 76 PHE H 2.650 . 3.500 2.593 2.159 3.518 0.018 7 0 "[ . 1 ]" 1
810 1 75 PRO QB 1 76 PHE H 2.650 . 3.500 2.539 1.853 3.221 . 0 0 "[ . 1 ]" 1
811 1 82 LEU H 1 82 LEU HA 2.650 . 3.500 2.759 2.649 2.837 . 0 0 "[ . 1 ]" 1
812 1 85 HIS H 1 98 HIS H 3.400 . 5.000 3.103 2.566 3.661 . 0 0 "[ . 1 ]" 1
813 1 93 VAL H 1 93 VAL HB 2.650 . 3.500 2.945 2.432 3.610 0.110 9 0 "[ . 1 ]" 1
814 1 99 PHE QB 1 100 ASP H 3.400 . 5.000 2.733 2.059 3.004 . 0 0 "[ . 1 ]" 1
815 1 107 ASN H 1 108 THR H 2.650 . 3.500 2.539 1.875 3.531 0.031 8 0 "[ . 1 ]" 1
816 1 156 LYS QD 1 157 GLY H 2.650 . 3.500 2.938 2.214 3.235 . 0 0 "[ . 1 ]" 1
817 1 160 GLU H 1 161 LEU H 2.650 . 3.500 2.457 2.218 2.889 . 0 0 "[ . 1 ]" 1
818 1 58 GLU HA 1 59 ALA H 2.150 . 2.500 2.393 2.290 2.513 0.013 1 0 "[ . 1 ]" 1
819 1 15 GLN HA 1 16 ILE H 2.150 . 2.500 2.255 2.169 2.466 . 0 0 "[ . 1 ]" 1
820 1 52 SER HA 1 53 ARG H 2.150 . 2.500 2.242 2.176 2.449 . 0 0 "[ . 1 ]" 1
821 1 64 ASN H 1 64 ASN HA 2.150 . 2.500 2.817 2.773 2.896 0.396 6 0 "[ . 1 ]" 1
822 1 51 PHE HA 1 52 SER H 2.150 . 2.500 2.246 2.174 2.316 . 0 0 "[ . 1 ]" 1
823 1 17 THR HA 1 18 TYR H 2.150 . 2.500 2.237 2.197 2.295 . 0 0 "[ . 1 ]" 1
824 1 148 PHE HA 1 149 ARG H 2.150 . 2.500 2.255 2.143 2.437 . 0 0 "[ . 1 ]" 1
825 1 79 LYS HA 1 80 ASP H 2.150 . 2.500 2.422 2.207 2.599 0.099 1 0 "[ . 1 ]" 1
826 1 99 PHE HA 1 100 ASP H 2.150 . 2.500 2.329 2.238 2.521 0.021 6 0 "[ . 1 ]" 1
827 1 53 ARG HA 1 54 ILE H 2.150 . 2.500 2.262 2.195 2.452 . 0 0 "[ . 1 ]" 1
828 1 82 LEU HA 1 83 LEU H 2.150 . 2.500 2.204 2.118 2.348 . 0 0 "[ . 1 ]" 1
829 1 82 LEU H 1 82 LEU QB 2.150 . 2.500 2.184 2.026 2.313 . 0 0 "[ . 1 ]" 1
830 1 16 ILE HA 1 17 THR H 2.150 . 2.500 2.404 2.239 2.587 0.087 6 0 "[ . 1 ]" 1
831 1 9 PRO HA 1 10 LYS H 2.150 . 2.500 2.565 2.409 2.651 0.151 10 0 "[ . 1 ]" 1
832 1 87 PHE HA 1 88 ALA H 2.150 . 2.500 2.397 2.320 2.513 0.013 8 0 "[ . 1 ]" 1
833 1 72 ASP H 1 72 ASP HA 2.150 . 2.500 2.799 2.696 2.887 0.387 5 0 "[ . 1 ]" 1
834 1 129 GLU HA 1 130 HIS H 2.150 . 2.500 2.556 2.319 2.650 0.150 3 0 "[ . 1 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 88
_Distance_constraint_stats_list.Viol_count 202
_Distance_constraint_stats_list.Viol_total 105.198
_Distance_constraint_stats_list.Viol_max 0.149
_Distance_constraint_stats_list.Viol_rms 0.0252
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0099
_Distance_constraint_stats_list.Viol_average_violations_only 0.0473
_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 16 ILE 0.130 0.052 3 0 "[ . 1 ]"
1 17 THR 0.268 0.082 11 0 "[ . 1 ]"
1 18 TYR 0.349 0.115 8 0 "[ . 1 ]"
1 19 ARG 0.529 0.123 8 0 "[ . 1 ]"
1 28 ASP 0.515 0.148 5 0 "[ . 1 ]"
1 29 PRO 0.078 0.077 3 0 "[ . 1 ]"
1 30 GLU 0.107 0.054 6 0 "[ . 1 ]"
1 31 THR 0.058 0.039 6 0 "[ . 1 ]"
1 32 VAL 0.515 0.148 5 0 "[ . 1 ]"
1 33 ASP 0.440 0.077 3 0 "[ . 1 ]"
1 34 ASP 0.203 0.054 6 0 "[ . 1 ]"
1 35 ALA 0.095 0.039 6 0 "[ . 1 ]"
1 36 PHE 0.025 0.021 6 0 "[ . 1 ]"
1 37 ALA 0.624 0.105 4 0 "[ . 1 ]"
1 38 ARG 0.170 0.065 4 0 "[ . 1 ]"
1 39 ALA 0.240 0.079 4 0 "[ . 1 ]"
1 40 PHE 0.025 0.021 6 0 "[ . 1 ]"
1 41 GLN 0.262 0.105 4 0 "[ . 1 ]"
1 42 VAL 0.074 0.065 4 0 "[ . 1 ]"
1 43 TRP 0.203 0.079 4 0 "[ . 1 ]"
1 44 SER 0.000 0.000 . 0 "[ . 1 ]"
1 50 ARG 0.067 0.028 1 0 "[ . 1 ]"
1 52 SER 0.189 0.066 6 0 "[ . 1 ]"
1 54 ILE 0.224 0.115 8 0 "[ . 1 ]"
1 61 ILE 0.335 0.082 11 0 "[ . 1 ]"
1 62 MET 1.202 0.149 11 0 "[ . 1 ]"
1 63 ILE 0.461 0.123 8 0 "[ . 1 ]"
1 64 ASN 0.586 0.096 4 0 "[ . 1 ]"
1 66 GLY 0.113 0.072 5 0 "[ . 1 ]"
1 85 HIS 0.245 0.126 8 0 "[ . 1 ]"
1 87 PHE 0.310 0.097 2 0 "[ . 1 ]"
1 95 GLY 1.075 0.149 11 0 "[ . 1 ]"
1 96 ASP 0.310 0.097 2 0 "[ . 1 ]"
1 97 SER 0.497 0.096 4 0 "[ . 1 ]"
1 98 HIS 0.245 0.126 8 0 "[ . 1 ]"
1 99 PHE 0.329 0.073 4 0 "[ . 1 ]"
1 113 SER 0.190 0.060 6 0 "[ . 1 ]"
1 114 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 115 PHE 0.046 0.031 2 0 "[ . 1 ]"
1 116 LEU 0.167 0.053 7 0 "[ . 1 ]"
1 117 VAL 0.393 0.060 6 0 "[ . 1 ]"
1 118 ALA 0.024 0.020 1 0 "[ . 1 ]"
1 119 ALA 0.523 0.123 5 0 "[ . 1 ]"
1 120 HIS 0.228 0.053 7 0 "[ . 1 ]"
1 121 GLU 0.231 0.046 8 0 "[ . 1 ]"
1 122 PHE 0.024 0.020 1 0 "[ . 1 ]"
1 123 GLY 0.477 0.123 5 0 "[ . 1 ]"
1 124 HIS 0.060 0.048 4 0 "[ . 1 ]"
1 125 ALA 0.028 0.028 5 0 "[ . 1 ]"
1 133 ASP 0.854 0.131 6 0 "[ . 1 ]"
1 136 ALA 0.854 0.131 6 0 "[ . 1 ]"
1 151 SER 0.115 0.044 10 0 "[ . 1 ]"
1 152 GLN 0.464 0.119 9 0 "[ . 1 ]"
1 153 ASP 0.466 0.088 4 0 "[ . 1 ]"
1 154 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 155 ILE 0.525 0.104 11 0 "[ . 1 ]"
1 156 LYS 0.519 0.119 9 0 "[ . 1 ]"
1 157 GLY 0.755 0.094 3 0 "[ . 1 ]"
1 158 ILE 0.167 0.081 4 0 "[ . 1 ]"
1 159 GLN 0.410 0.104 11 0 "[ . 1 ]"
1 160 GLU 0.055 0.029 3 0 "[ . 1 ]"
1 161 LEU 0.289 0.094 3 0 "[ . 1 ]"
1 162 TYR 0.167 0.081 4 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 28 ASP O 1 32 VAL H 2.000 . 2.300 1.698 1.552 2.029 0.148 5 0 "[ . 1 ]" 2
2 1 28 ASP O 1 32 VAL N 2.850 2.400 3.300 2.650 2.513 2.941 . 0 0 "[ . 1 ]" 2
3 1 29 PRO O 1 33 ASP H 2.000 . 2.300 2.089 1.804 2.377 0.077 3 0 "[ . 1 ]" 2
4 1 29 PRO O 1 33 ASP N 2.850 2.400 3.300 2.930 2.582 3.263 . 0 0 "[ . 1 ]" 2
5 1 30 GLU O 1 34 ASP H 2.000 . 2.300 2.180 1.817 2.354 0.054 6 0 "[ . 1 ]" 2
6 1 30 GLU O 1 34 ASP N 2.850 2.400 3.300 2.887 2.557 3.150 . 0 0 "[ . 1 ]" 2
7 1 31 THR O 1 35 ALA H 2.000 . 2.300 1.990 1.682 2.339 0.039 6 0 "[ . 1 ]" 2
8 1 31 THR O 1 35 ALA N 2.850 2.400 3.300 2.891 2.585 3.245 . 0 0 "[ . 1 ]" 2
9 1 33 ASP O 1 37 ALA H 2.000 . 2.300 2.263 2.069 2.372 0.072 5 0 "[ . 1 ]" 2
10 1 33 ASP O 1 37 ALA N 2.850 2.400 3.300 3.154 2.988 3.336 0.036 9 0 "[ . 1 ]" 2
11 1 34 ASP O 1 38 ARG H 2.000 . 2.300 1.895 1.654 2.285 0.046 2 0 "[ . 1 ]" 2
12 1 34 ASP O 1 38 ARG N 2.850 2.400 3.300 2.830 2.618 3.261 . 0 0 "[ . 1 ]" 2
13 1 35 ALA O 1 39 ALA H 2.000 . 2.300 2.066 1.675 2.312 0.025 2 0 "[ . 1 ]" 2
14 1 35 ALA O 1 39 ALA N 2.850 2.400 3.300 2.972 2.577 3.242 . 0 0 "[ . 1 ]" 2
15 1 36 PHE O 1 40 PHE H 2.000 . 2.300 1.848 1.679 2.241 0.021 6 0 "[ . 1 ]" 2
16 1 36 PHE O 1 40 PHE N 2.850 2.400 3.300 2.788 2.619 3.156 . 0 0 "[ . 1 ]" 2
17 1 37 ALA O 1 41 GLN H 2.000 . 2.300 2.265 1.967 2.405 0.105 4 0 "[ . 1 ]" 2
18 1 37 ALA O 1 41 GLN N 2.850 2.400 3.300 3.159 2.902 3.286 . 0 0 "[ . 1 ]" 2
19 1 38 ARG O 1 42 VAL H 2.000 . 2.300 1.980 1.695 2.365 0.065 4 0 "[ . 1 ]" 2
20 1 38 ARG O 1 42 VAL N 2.850 2.400 3.300 2.701 2.533 2.929 . 0 0 "[ . 1 ]" 2
21 1 39 ALA O 1 43 TRP H 2.000 . 2.300 2.187 1.949 2.379 0.079 4 0 "[ . 1 ]" 2
22 1 39 ALA O 1 43 TRP N 2.850 2.400 3.300 3.050 2.847 3.238 . 0 0 "[ . 1 ]" 2
23 1 40 PHE O 1 44 SER H 2.000 . 2.300 2.000 1.805 2.252 . 0 0 "[ . 1 ]" 2
24 1 40 PHE O 1 44 SER N 2.850 2.400 3.300 2.785 2.411 2.972 . 0 0 "[ . 1 ]" 2
25 1 113 SER O 1 117 VAL H 2.000 . 2.300 2.212 1.958 2.360 0.060 6 0 "[ . 1 ]" 2
26 1 113 SER O 1 117 VAL N 2.850 2.400 3.300 3.105 2.867 3.278 . 0 0 "[ . 1 ]" 2
27 1 114 LEU O 1 118 ALA H 2.000 . 2.300 1.947 1.706 2.274 . 0 0 "[ . 1 ]" 2
28 1 114 LEU O 1 118 ALA N 2.850 2.400 3.300 2.849 2.572 3.193 . 0 0 "[ . 1 ]" 2
29 1 115 PHE O 1 119 ALA H 2.000 . 2.300 1.963 1.669 2.309 0.031 2 0 "[ . 1 ]" 2
30 1 115 PHE O 1 119 ALA N 2.850 2.400 3.300 2.878 2.543 3.162 . 0 0 "[ . 1 ]" 2
31 1 116 LEU O 1 120 HIS H 2.000 . 2.300 2.216 1.929 2.353 0.053 7 0 "[ . 1 ]" 2
32 1 116 LEU O 1 120 HIS N 2.850 2.400 3.300 3.163 2.904 3.316 0.016 7 0 "[ . 1 ]" 2
33 1 117 VAL O 1 121 GLU H 2.000 . 2.300 2.299 2.248 2.346 0.046 8 0 "[ . 1 ]" 2
34 1 117 VAL O 1 121 GLU N 2.850 2.400 3.300 3.242 3.183 3.316 0.016 8 0 "[ . 1 ]" 2
35 1 118 ALA O 1 122 PHE H 2.000 . 2.300 1.864 1.696 2.112 0.004 4 0 "[ . 1 ]" 2
36 1 118 ALA O 1 122 PHE N 2.850 2.400 3.300 2.547 2.380 2.812 0.020 1 0 "[ . 1 ]" 2
37 1 119 ALA O 1 123 GLY H 2.000 . 2.300 2.326 2.200 2.423 0.123 5 0 "[ . 1 ]" 2
38 1 119 ALA O 1 123 GLY N 2.850 2.400 3.300 2.891 2.769 3.013 . 0 0 "[ . 1 ]" 2
39 1 121 GLU O 1 125 ALA H 2.000 . 2.300 2.140 1.740 2.328 0.028 5 0 "[ . 1 ]" 2
40 1 121 GLU O 1 125 ALA N 2.850 2.400 3.300 3.065 2.689 3.260 . 0 0 "[ . 1 ]" 2
41 1 120 HIS O 1 124 HIS H 2.000 . 2.300 2.214 2.011 2.348 0.048 4 0 "[ . 1 ]" 2
42 1 120 HIS O 1 124 HIS N 2.850 2.400 3.300 3.131 2.873 3.269 . 0 0 "[ . 1 ]" 2
43 1 151 SER O 1 155 ILE H 2.000 . 2.300 2.241 2.021 2.344 0.044 10 0 "[ . 1 ]" 2
44 1 151 SER O 1 155 ILE N 2.850 2.400 3.300 3.163 2.877 3.302 0.002 1 0 "[ . 1 ]" 2
45 1 152 GLN O 1 156 LYS H 2.000 . 2.300 1.675 1.581 1.792 0.119 9 0 "[ . 1 ]" 2
46 1 152 GLN O 1 156 LYS N 2.850 2.400 3.300 2.590 2.485 2.676 . 0 0 "[ . 1 ]" 2
47 1 153 ASP O 1 157 GLY H 2.000 . 2.300 2.304 2.131 2.388 0.088 4 0 "[ . 1 ]" 2
48 1 153 ASP O 1 157 GLY N 2.850 2.400 3.300 3.246 2.981 3.340 0.040 11 0 "[ . 1 ]" 2
49 1 155 ILE O 1 159 GLN H 2.000 . 2.300 2.306 2.212 2.404 0.104 11 0 "[ . 1 ]" 2
50 1 155 ILE O 1 159 GLN N 2.850 2.400 3.300 3.060 2.867 3.317 0.017 7 0 "[ . 1 ]" 2
51 1 157 GLY O 1 161 LEU H 2.000 . 2.300 2.288 2.128 2.394 0.094 3 0 "[ . 1 ]" 2
52 1 157 GLY O 1 161 LEU N 2.850 2.400 3.300 3.050 2.887 3.168 . 0 0 "[ . 1 ]" 2
53 1 158 ILE O 1 162 TYR H 2.000 . 2.300 1.935 1.619 2.327 0.081 4 0 "[ . 1 ]" 2
54 1 158 ILE O 1 162 TYR N 2.850 2.400 3.300 2.724 2.479 2.961 . 0 0 "[ . 1 ]" 2
55 1 154 ASP O 1 158 ILE H 2.000 . 2.300 1.962 1.702 2.265 . 0 0 "[ . 1 ]" 2
56 1 154 ASP O 1 158 ILE N 2.850 2.400 3.300 2.845 2.544 3.111 . 0 0 "[ . 1 ]" 2
57 1 156 LYS O 1 160 GLU H 2.000 . 2.300 2.150 1.851 2.329 0.029 3 0 "[ . 1 ]" 2
58 1 156 LYS O 1 160 GLU N 2.850 2.400 3.300 3.042 2.659 3.249 . 0 0 "[ . 1 ]" 2
59 1 16 ILE H 1 50 ARG O 2.000 . 2.300 1.981 1.672 2.323 0.028 1 0 "[ . 1 ]" 2
60 1 16 ILE N 1 50 ARG O 2.850 2.400 3.300 2.890 2.586 3.286 . 0 0 "[ . 1 ]" 2
61 1 18 TYR H 1 52 SER O 2.000 . 2.300 2.226 1.954 2.366 0.066 6 0 "[ . 1 ]" 2
62 1 18 TYR N 1 52 SER O 2.850 2.400 3.300 3.117 2.811 3.246 . 0 0 "[ . 1 ]" 2
63 1 19 ARG H 1 61 ILE O 2.000 . 2.300 2.249 2.088 2.333 0.033 1 0 "[ . 1 ]" 2
64 1 19 ARG N 1 61 ILE O 2.850 2.400 3.300 3.138 2.979 3.270 . 0 0 "[ . 1 ]" 2
65 1 16 ILE O 1 52 SER H 2.000 . 2.300 1.795 1.648 2.094 0.052 3 0 "[ . 1 ]" 2
66 1 16 ILE O 1 52 SER N 2.850 2.400 3.300 2.585 2.441 2.829 . 0 0 "[ . 1 ]" 2
67 1 18 TYR O 1 54 ILE H 2.000 . 2.300 2.266 2.168 2.415 0.115 8 0 "[ . 1 ]" 2
68 1 18 TYR O 1 54 ILE N 2.850 2.400 3.300 3.187 3.115 3.304 0.004 1 0 "[ . 1 ]" 2
69 1 17 THR O 1 61 ILE H 2.000 . 2.300 2.201 1.742 2.382 0.082 11 0 "[ . 1 ]" 2
70 1 17 THR O 1 61 ILE N 2.850 2.400 3.300 3.142 2.698 3.342 0.042 11 0 "[ . 1 ]" 2
71 1 62 MET H 1 95 GLY O 2.000 . 2.300 2.392 2.242 2.449 0.149 11 0 "[ . 1 ]" 2
72 1 62 MET N 1 95 GLY O 2.850 2.400 3.300 3.135 2.996 3.298 . 0 0 "[ . 1 ]" 2
73 1 19 ARG O 1 63 ILE H 2.000 . 2.300 2.326 2.224 2.423 0.123 8 0 "[ . 1 ]" 2
74 1 19 ARG O 1 63 ILE N 2.850 2.400 3.300 3.253 3.158 3.325 0.025 8 0 "[ . 1 ]" 2
75 1 64 ASN H 1 97 SER O 2.000 . 2.300 2.314 2.140 2.396 0.096 4 0 "[ . 1 ]" 2
76 1 64 ASN N 1 97 SER O 2.850 2.400 3.300 3.096 2.928 3.264 . 0 0 "[ . 1 ]" 2
77 1 66 GLY H 1 99 PHE O 2.000 . 2.300 2.184 1.876 2.372 0.072 5 0 "[ . 1 ]" 2
78 1 66 GLY N 1 99 PHE O 2.850 2.400 3.300 2.870 2.471 3.177 . 0 0 "[ . 1 ]" 2
79 1 62 MET O 1 97 SER H 2.000 . 2.300 1.966 1.645 2.372 0.072 3 0 "[ . 1 ]" 2
80 1 62 MET O 1 97 SER N 2.850 2.400 3.300 2.739 2.518 2.912 . 0 0 "[ . 1 ]" 2
81 1 64 ASN O 1 99 PHE H 2.000 . 2.300 1.743 1.627 2.036 0.073 4 0 "[ . 1 ]" 2
82 1 64 ASN O 1 99 PHE N 2.850 2.400 3.300 2.673 2.526 2.928 . 0 0 "[ . 1 ]" 2
83 1 85 HIS H 1 98 HIS O 2.000 . 2.300 2.220 1.994 2.426 0.126 8 0 "[ . 1 ]" 2
84 1 85 HIS N 1 98 HIS O 2.850 2.400 3.300 3.109 2.840 3.313 0.013 5 0 "[ . 1 ]" 2
85 1 87 PHE H 1 96 ASP O 2.000 . 2.300 2.223 1.730 2.397 0.097 2 0 "[ . 1 ]" 2
86 1 87 PHE N 1 96 ASP O 2.850 2.400 3.300 3.087 2.583 3.311 0.011 2 0 "[ . 1 ]" 2
87 1 133 ASP O 1 136 ALA H 2.000 . 2.300 2.371 2.289 2.431 0.131 6 0 "[ . 1 ]" 2
88 1 133 ASP O 1 136 ALA N 2.850 2.400 3.300 3.279 3.201 3.329 0.029 6 0 "[ . 1 ]" 2
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